From 5df55d39bee01ab79ffad61426874ff0c8bd2594 Mon Sep 17 00:00:00 2001 From: Anton Ignatov Date: Fri, 31 May 2019 16:02:21 +0200 Subject: [PATCH 1/4] Fix nil issue in module controller --- app/controllers/my_module_tags_controller.rb | 5 +- public/marvin4js-license.cxl | 15 + public/marvinjs/css/doc.css | 276 + public/marvinjs/css/example-edit-images.css | 105 + public/marvinjs/css/index.css | 103 + public/marvinjs/css/substructuresearch.css | 34 + public/marvinjs/demo.html | 47 + public/marvinjs/docs/README.html | 11 + public/marvinjs/docs/compatibility.html | 68 + public/marvinjs/docs/dev/embed.html | 146 + public/marvinjs/docs/dev/webservices.html | 217 + public/marvinjs/docs/images/no.png | Bin 0 -> 699 bytes public/marvinjs/docs/images/yes.png | Bin 0 -> 747 bytes public/marvinjs/docs/index.html | 28 + public/marvinjs/docs/installationguide.html | 81 + public/marvinjs/docs/manual/index.html | 7 + public/marvinjs/docs/troubleshoot.html | 109 + public/marvinjs/editor.html | 43 + public/marvinjs/editorws.html | 44 + .../examples/abbreviations/demoabbrev.json | 9 + .../abbreviations/myabbreviations.mrv | 3 + .../abbreviations/myabbreviations.sdf | 44 + .../examples/checker/example-checker.html | 527 ++ public/marvinjs/examples/checker/molchange.js | 61 + public/marvinjs/examples/demo.html | 427 + .../examples/eflow/alternative-eflow.html | 34 + public/marvinjs/examples/example-abbrevs.html | 124 + .../marvinjs/examples/example-addbutton.html | 71 + .../examples/example-addtemplate.html | 58 + .../marvinjs/examples/example-copyasmrv.html | 95 + .../examples/example-couple-editors.html | 232 + .../examples/example-create-abbreviation.html | 106 + .../examples/example-create-image.html | 307 + .../examples/example-create-template.html | 159 + .../examples/example-customize-service.html | 113 + .../examples/example-defaulttool.html | 100 + .../examples/example-edit-images.html | 249 + .../examples/example-get-selection.html | 155 + 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.../examples/form/example-submit-form.html | 51 + .../marvinjs/examples/images/custom-icon.png | Bin 0 -> 918 bytes public/marvinjs/examples/images/qr.png | Bin 0 -> 630 bytes public/marvinjs/examples/images/search.png | Bin 0 -> 1125 bytes public/marvinjs/examples/index.html | 59 + public/marvinjs/examples/jqueryui/dialog.html | 74 + .../properties/example-set-properties.html | 298 + .../marvinjs/examples/properties/xmlindent.js | 55 + .../examples/query/substructuresearch.html | 138 + public/marvinjs/examples/textbox/textbox.html | 41 + .../5C5DC5E8F823390618266388A9FBC038.cache.js | 7878 +++++++++++++++++ ...FDD4CCF60B6B099FFCE46E616BE8A8F6.cache.txt | 2 + public/marvinjs/gui/clear.cache.gif | Bin 0 -> 43 bytes public/marvinjs/gui/css/editor.css | 61 + public/marvinjs/gui/css/editor.min.css | 1 + public/marvinjs/gui/gui.nocache.js | 25 + public/marvinjs/gui/lib/promise-1.0.0.min.js | 1 + public/marvinjs/index.html | 55 + public/marvinjs/js/lib/jquery-1.9.1.min.js | 5 + public/marvinjs/js/lib/qrcode/qrcode.min.js | 1 + public/marvinjs/js/lib/rainbow/github.css | 92 + .../js/lib/rainbow/rainbow-custom.min.js | 13 + public/marvinjs/js/lib/rainbow/twilight.css | 82 + public/marvinjs/js/marvinjslauncher.js | 120 + public/marvinjs/js/util.js | 177 + public/marvinjs/js/webservices.js | 22 + public/marvinjs/jsdoc.html | 348 + .../marvinjs/licenses/3rdparty_license.html | 62 + public/marvinjs/licenses/MIT_License.txt | 20 + public/marvinjs/licenses/apache.txt | 176 + public/marvinjs/licenses/bouncycastle.txt | 8 + .../marvinjs/licenses/es6_promise_license.txt | 19 + public/marvinjs/licenses/jquery.txt | 21 + public/marvinjs/licenses/qrcode_license.txt | 14 + public/marvinjs/marvinpack.html | 17 + .../marvinjs/templates/default_templates.json | 28 + .../marvinjs/templates/default_templates.mrv | 5 + .../default_templates_with_naphtalane.json | 33 + public/marvinjs/templates/empty.mrv | 1 + public/marvinjs/templates/mytemplates.mrv | 3 + 97 files changed, 16532 insertions(+), 1 deletion(-) create mode 100644 public/marvin4js-license.cxl create mode 100644 public/marvinjs/css/doc.css create mode 100644 public/marvinjs/css/example-edit-images.css create mode 100644 public/marvinjs/css/index.css create mode 100644 public/marvinjs/css/substructuresearch.css create mode 100644 public/marvinjs/demo.html create mode 100644 public/marvinjs/docs/README.html create mode 100644 public/marvinjs/docs/compatibility.html create mode 100644 public/marvinjs/docs/dev/embed.html create mode 100644 public/marvinjs/docs/dev/webservices.html create mode 100644 public/marvinjs/docs/images/no.png create mode 100644 public/marvinjs/docs/images/yes.png create mode 100644 public/marvinjs/docs/index.html create mode 100644 public/marvinjs/docs/installationguide.html create mode 100644 public/marvinjs/docs/manual/index.html create mode 100644 public/marvinjs/docs/troubleshoot.html create mode 100644 public/marvinjs/editor.html create mode 100644 public/marvinjs/editorws.html create mode 100644 public/marvinjs/examples/abbreviations/demoabbrev.json create mode 100644 public/marvinjs/examples/abbreviations/myabbreviations.mrv create mode 100644 public/marvinjs/examples/abbreviations/myabbreviations.sdf create mode 100644 public/marvinjs/examples/checker/example-checker.html create mode 100644 public/marvinjs/examples/checker/molchange.js create mode 100644 public/marvinjs/examples/demo.html create mode 100644 public/marvinjs/examples/eflow/alternative-eflow.html create mode 100644 public/marvinjs/examples/example-abbrevs.html create mode 100644 public/marvinjs/examples/example-addbutton.html create mode 100644 public/marvinjs/examples/example-addtemplate.html create mode 100644 public/marvinjs/examples/example-copyasmrv.html create mode 100644 public/marvinjs/examples/example-couple-editors.html create mode 100644 public/marvinjs/examples/example-create-abbreviation.html create mode 100644 public/marvinjs/examples/example-create-image.html create mode 100644 public/marvinjs/examples/example-create-template.html create mode 100644 public/marvinjs/examples/example-customize-service.html create mode 100644 public/marvinjs/examples/example-defaulttool.html create mode 100644 public/marvinjs/examples/example-edit-images.html create mode 100644 public/marvinjs/examples/example-get-selection.html create mode 100644 public/marvinjs/examples/example-getimage.html create mode 100644 public/marvinjs/examples/example-getmol-with-ws.html create mode 100644 public/marvinjs/examples/example-getmol.html create mode 100644 public/marvinjs/examples/example-highlight-by-index.html create mode 100644 public/marvinjs/examples/example-highlight.html create mode 100644 public/marvinjs/examples/example-lazyinit.html create mode 100644 public/marvinjs/examples/example-lonepair.html create mode 100644 public/marvinjs/examples/example-more-images-immediately.html create mode 100644 public/marvinjs/examples/example-qrcode.html create mode 100644 public/marvinjs/examples/example-reaction.html create mode 100644 public/marvinjs/examples/example-removedefaultservicefromtoolbar.html create mode 100644 public/marvinjs/examples/example-selection.html create mode 100644 public/marvinjs/examples/example-setmol.html create mode 100644 public/marvinjs/examples/example-templates-default.html create mode 100644 public/marvinjs/examples/example-templates.html create mode 100644 public/marvinjs/examples/example-templates_with_displaysettings.html create mode 100644 public/marvinjs/examples/example-toolbars.html create mode 100644 public/marvinjs/examples/example-toolbars_with_displaysettings.html create mode 100644 public/marvinjs/examples/form/echo.php create mode 100644 public/marvinjs/examples/form/example-submit-form.html create mode 100644 public/marvinjs/examples/images/custom-icon.png create mode 100644 public/marvinjs/examples/images/qr.png create mode 100644 public/marvinjs/examples/images/search.png create mode 100644 public/marvinjs/examples/index.html create mode 100644 public/marvinjs/examples/jqueryui/dialog.html create mode 100644 public/marvinjs/examples/properties/example-set-properties.html create mode 100644 public/marvinjs/examples/properties/xmlindent.js create mode 100644 public/marvinjs/examples/query/substructuresearch.html create mode 100644 public/marvinjs/examples/textbox/textbox.html create mode 100644 public/marvinjs/gui/5C5DC5E8F823390618266388A9FBC038.cache.js create mode 100644 public/marvinjs/gui/FDD4CCF60B6B099FFCE46E616BE8A8F6.cache.txt create mode 100644 public/marvinjs/gui/clear.cache.gif create mode 100644 public/marvinjs/gui/css/editor.css create mode 100644 public/marvinjs/gui/css/editor.min.css create mode 100644 public/marvinjs/gui/gui.nocache.js create mode 100644 public/marvinjs/gui/lib/promise-1.0.0.min.js create mode 100644 public/marvinjs/index.html create mode 100644 public/marvinjs/js/lib/jquery-1.9.1.min.js create mode 100644 public/marvinjs/js/lib/qrcode/qrcode.min.js create mode 100644 public/marvinjs/js/lib/rainbow/github.css create mode 100644 public/marvinjs/js/lib/rainbow/rainbow-custom.min.js create mode 100644 public/marvinjs/js/lib/rainbow/twilight.css create mode 100644 public/marvinjs/js/marvinjslauncher.js create mode 100644 public/marvinjs/js/util.js create mode 100644 public/marvinjs/js/webservices.js create mode 100644 public/marvinjs/jsdoc.html create mode 100644 public/marvinjs/licenses/3rdparty_license.html create mode 100644 public/marvinjs/licenses/MIT_License.txt create mode 100644 public/marvinjs/licenses/apache.txt create mode 100644 public/marvinjs/licenses/bouncycastle.txt create mode 100644 public/marvinjs/licenses/es6_promise_license.txt create mode 100644 public/marvinjs/licenses/jquery.txt create mode 100644 public/marvinjs/licenses/qrcode_license.txt create mode 100644 public/marvinjs/marvinpack.html create mode 100644 public/marvinjs/templates/default_templates.json create mode 100644 public/marvinjs/templates/default_templates.mrv create mode 100644 public/marvinjs/templates/default_templates_with_naphtalane.json create mode 100644 public/marvinjs/templates/empty.mrv create mode 100644 public/marvinjs/templates/mytemplates.mrv diff --git a/app/controllers/my_module_tags_controller.rb b/app/controllers/my_module_tags_controller.rb index 7dc692a82..2523bc1a9 100644 --- a/app/controllers/my_module_tags_controller.rb +++ b/app/controllers/my_module_tags_controller.rb @@ -55,7 +55,7 @@ class MyModuleTagsController < ApplicationController end def create - return render_403 unless mt_params[:tag_id] + return render_403 unless params[:my_module_tag] && mt_params[:tag_id] @mt = MyModuleTag.new(mt_params.merge(my_module: @my_module)) @mt.created_by = current_user @@ -125,6 +125,9 @@ class MyModuleTagsController < ApplicationController def destroy_by_tag_id tag = @my_module.my_module_tags.find_by_tag_id(params[:id]) + + return render_404 unless tag + tag.destroy render json: { result: tag } end diff --git a/public/marvin4js-license.cxl b/public/marvin4js-license.cxl new file mode 100644 index 000000000..9ebed5b84 --- /dev/null +++ b/public/marvin4js-license.cxl @@ -0,0 +1,15 @@ + + + + + + + + + + + + + + + diff --git a/public/marvinjs/css/doc.css b/public/marvinjs/css/doc.css new file mode 100644 index 000000000..dd11a67eb --- /dev/null +++ b/public/marvinjs/css/doc.css @@ -0,0 +1,276 @@ +html{ + font-family: "Titillium", Cambria, Helvetica, Arial, Geneva, sans-serif !important; + padding: 20px 5% 20px 5% !important; + background: #29999c; +} + +body { + clear: both; + box-shadow: 2px 2px 3px #444; + border-radius: 3px; + padding: 20px !important; + margin: 0px; + background: #f9f9f9; + min-width: 650px; +} + +table { + border-collapse: collapse; +} + +a, a:link, a:active{color:#29999C !important;} +a:visited{color:#55299C !important;} +a:hover{color:#3EB9BD !important;} + + +h1 { + text-align: center; + color: #29999c; + background: white; + border-radius: 3px 3px 0px 0px; + margin: -20px -20px 0px -20px; + border-bottom: 1px solid #888; +} + +h1, h1 a, h2 a{ + font-family: "Titillium", Cambria, Helvetica, Arial, Geneva, sans-serif !important; +} + +.version { + font-family: sans-serif; + font-size: smaller; + float: right; +} + +pre { + padding: 30px; + font-family: courier; + max-width: 70vw; + overflow-x: auto; +} + +input { + border: 1px solid; +} + +iframe{ + border:none; + padding: 0px; + margin: 0px; + + box-shadow: 2px 2px 3px #888; +} + +select { + border: 1px solid; +} + +textarea { + font-family: monospace; +} + + +#molsource-box{ + min-width: 30%; + width: 600px; + height: 350px; +} +.sketcher-frame { + margin: -2px; + resize: none; + min-width: 370px; + min-height: 370px; + height: 100%; + width: 100%; + overflow: hidden; +} + +.resizable{ + border: none; + padding: 0px 8px 8px 0px; + border: 0px; + resize: both; + width: 510px; + height: 510px; + min-width: 370px; + min-height: 370px; + overflow: auto; + background-color: transparent; +} + +ul.horizontalmenu { + margin-top: 0px; + margin-bottom: 0px; + padding-top: 2px; + padding-bottom: 2px; + padding-left: 6px; + background-color: #dddddd; +} + +ul.horizontalmenu li { + display: inline; + list-style-type: none; + padding-right: 6px; +} + +input[type="checkbox"], input[type="button"] { + cursor: pointer; +} + +input[type="number"] { + width: 70px; + text-indent: 2px; +} + +.table-layout { + vertical-align: top; +} + +.table-layout li { + display: table-row; +} +.table-layout li >* { + display: table-cell; + padding: 2px; +} + +label { + cursor: pointer; +} + +.darkbox { + display: inline-block; + margin-left: 10px; + margin-right: 10px; + background-color: transparent; +} + +.scrollablebox { + width: 90%; + height:350px; + white-space: nowrap; + overflow: scroll; + margin-bottom: 20px; + margin-top: 0px; + margin-left: 2px; + margin-right: 2px; +} + +#submitButton { + margin-top: -20px; +} + +td { vertical-align: top; } +li { list-style-type: none; } + +.molecule-div { + background-color: #bababa; + margin-left: 20px; + margin-right: 0px; + font-size: 11px; +} + +div#serviceForm { + margin: 10px; + background-color: #ddd; + padding: 4px; + clear: none; + display: inline-block; + font-family: sans-serif; + font-size: 12px; +} + +div#serviceForm input { + border: none; + margin: 2px; + margin-left: 0px; +} + +.editorheader { + float: left; + margin-left: 10px; + margin-right: 10px; + margin-top: 5px; + margin-bottom: 5px; + background-color: transparent; +} + +.left10 { + margin-left: 10px; +} + +#convertStructureInputHeader { + display: inline-block; + margin-right: 10px; + background-color: #ddd; + font-size: 12px; + font-family: sans-serif; + margin-bottom: 20px; +} + +.bordered { + box-shadow: 2px 2px 3px #444; +} + +/* APIDOC style */ +.rightSide { + float: right; +} + +div.table { + border: 1px solid; + display: table; + width: 100%; + margin-bottom: 14px; +} + +div.api-header div.api-body { + display: table-row; +} + +.api-body, .api-header, div.inner-api-table { + padding-left: 1em; + padding-right: 1em; +} + +div.api-body p:last-of-type { + margin-bottom: 1em; +} + +.api-header { + background-color: #29999C; + color: #FFFFFF; + font-weight: bold; +} + +span.api-method-returntype:before { + content: "Returns: "; +} + +div code { + background-color: inherit; + border: none; +} + +div.inner-api-table { + display: block; + background-color: lightblue; + border: none; + overflow-x: auto; +} + +/* categories.html and items.html */ +table.cell-borrder-vertical tr > td { + padding-top: 0.5em; +} + +table.cell-border-vertical tr > td, table.cell-border-vertical tr > th { + border-left: 1px solid; + padding-left: 15px; + padding-right: 15px; +} + +table.cell-border-vertical tr > td:first-of-type, table.cell-border-vertical tr > th:first-of-type { + border-left: none; + padding-left: initial; +} diff --git a/public/marvinjs/css/example-edit-images.css b/public/marvinjs/css/example-edit-images.css new file mode 100644 index 000000000..5abd297da --- /dev/null +++ b/public/marvinjs/css/example-edit-images.css @@ -0,0 +1,105 @@ + .image-container { + margin-top: 10px; + margin-bottom: 30px; + display: inline-table; + } + .mol-cell { + display: inline; + float: left; + margin-top: 4px; + margin-bottom: 4px; + margin-left: 4px; + margin-right: 24px; + } + .mol-cell span { + font-weight: bold; + padding-top: 2px; + padding-left: 2px; + padding-right: 2px; + background: lightgrey; + } + .mol-cell img, .mol-cell iframe { + display: block; + border: none; + } + + div.table-bottom { + clear: both; + height: 20px; + width: 100%; + } + + .close-button { + float: right; + font-weight: bold; + font-size: 25px; + color: rgb(250, 250, 240); + visibility: inherit; + background: inherit; + border: none; + z-index: inherit; + } + + #popup iframe { + width: 500px; + height: 510px; + margin: 0px; + padding: 0px; + border:none; + box-shadow: 2px 2px 8px #888; + } + + #popup .wrapper { + width: 500px; + height: 550px; + margin: 0px; + padding: 0px; + position: fixed; + top: 50%; + left: 50%; + margin-left: -250px; + margin-top: -300px; + z-index: 102; + } + + #sketchContainer{ + clear:both; + margin: 0px; + padding: 0px; + } + + #popup { + width:100%; + height:100%; + background-color: rgba(0, 0, 0, 0.5); + } + + .image-container img{ + background-color: transparent; + box-shadow: 2px 2px 8px #444; + transform:rotate(0deg); + -ms-transform:rotate(0deg); /* Internet Explorer */ + -moz-transform:rotate(0deg); /* Firefox */ + -webkit-transform:rotate(0deg); /* Safari and Chrome */ + -o-transform:rotate(0deg); /* Opera */ + + -webkit-transition: -webkit-transform 0.2s linear 0s; + -moz-transition: -moz-transform 0.2s linear 0s; + -o-transition: -o-transform 0.2s linear 0s; + transition: transform 0.2s linear 0s; + } + + .image-container img:hover{ + background-color: white; + box-shadow: 2px 2px 8px #444; + transform:scale(1.05) rotate(3deg); + -ms-transform:scale(1.05) rotate(3deg); /* Internet Explorer */ + -moz-transform:scale(1.05) rotate(3deg); /* Firefox */ + -webkit-transform:scale(1.05) rotate(3deg); /* Safari and Chrome */ + -o-transform:scale(1.05) rotate(3deg); /* Opera */ + + -webkit-transition: -webkit-transform 0.2s linear 0s; + -moz-transition: -moz-transform 0.2s linear 0s; + -o-transition: -o-transform 0.2s linear 0s; + transition: transform 0.2s linear 0s; + } \ No newline at end of file diff --git a/public/marvinjs/css/index.css b/public/marvinjs/css/index.css new file mode 100644 index 000000000..90d7cd2ab --- /dev/null +++ b/public/marvinjs/css/index.css @@ -0,0 +1,103 @@ +html{ + font-family: "Titillium", Cambria, Helvetica, Arial, Geneva, sans-serif !important; + padding: auto; + background: #f4f4f4; + text-align: left; + width: 100%; + height: 100%; +} + +body { + margin: 20px; +} + +h1{ + font-size: 35px; +} + +h1, h1 a, h2 a{ + font-family: "Titillium", Cambria, Helvetica, Arial, Geneva, sans-serif !important; + margin: 0px; +} + +input { + border: 1px solid; +} + +iframe{ + border:none; + padding: 0px; + margin: 0px; + box-shadow: 2px 2px 3px #888; +} + +.sketcher-frame { + margin: -2px; + resize: none; + min-width: 370px; + min-height: 370px; + height: 100%; + width: 100%; + + overflow: hidden; + +} + +.resizable{ + border: none; + padding: 0px 8px 8px 0px; + border: 0px; + resize: both; + width: 880px; + height: 460px; + min-width: 370px; + min-height: 370px; + overflow: auto; + background-color: transparent; +} + +.index_box, .index_box:hover{ + float: left; + box-shadow: 2px 2px 3px #444; + vertical-align: text-bottom; + min-width: 280px; + min-height:140px; + margin: 10px; + background-repeat: no-repeat; + position:relative; + cursor: pointer; +} + +.index_box{ + opacity: 0.6; +} + +.index_box:hover{ + opacity: 1; +} + +.doc, .doc:hover{ + margin-left: 0px; + background-image: 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); +} + +.api, .api:hover{ + background-image: 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cqRzFVgdXbHERbb13MUdsr3pp3ErxjKfIplwbCeQt5CGBuvRKYxtLcGMP51ePg+M4H6Gf7o+B8HOcoMOxnEoMJS5xZ7BOKyKt5FS7CtFIRruiKGUHWWwfn0g2h5wBNwb680leRT7kAM6uGRnvzaJTmBN53cwH2kaePK34emgvtaMM+xzkK2tnnKGj7TGIwYZlpwfaYFrAiRvyTCDGTqTpBbL7XAMxVr/bQDQEYpxoT0EajqNVFRdHbrxqK1c9RlQT2Y5zpeP1c3Ga+3uqwvXLbQ+5p/xT1s3gGMZiwDOKcFm2NLnIWNKLBRBCL4hYF6z5Fx6vv69Wd/t3E2O5GgmjNI+5D8Obq5sJ+2vicohocxzwXMU+/XfK8yMPxLXNxv+3ZZp7mY5v9j4g+h2cQgwnLKNCjqLCoFRjHELcoWMVcKwqFq5jd7iJRmNVIrEDMC71amXJBraY0AXNb/YhzIngvvKcfuRijj+Nc3K+J8eoxK6TVz3wlzPlMYjBhGQV3FApS8ff9UsXcDYTXKmba9SpBIWsa4BwRZoW+NbfvK86XvOZRlJqABul8u7mARjSN089TA/EcmGetkPpneDXqZ/lMYjDhFNPi7aG4ERHbLO5uLlXMUA3ECkQxk2cScjUN4DgVURc18/EWimOaWsW+jK25KHqrCisi2jKfaU4aBsf6POznfl5p62dj35qT9+x7a1QTfiYxmHAKRD0t4BqTgDv11ogrtmJVUB5DhJOQp+cutOttayWCyKZcoMFxjDZVkNXIPD7l0Ygmk7PflrnUeXbIx7G3xHsRgwmn8JeRo9iDHFYrCJn2Cg2hVxFOQlaM9gEFa9Uj9MfA9szFiol8tKnmUqsfTWIrD/vJ4/zFfuznPefItvP3eL01AsyGub3VYHreZxKDCadYfSYwXYlBc8AIqrDBbY5tmYtirL8kaVJ9TKscTGLKBeyjryKu5mJFwvyc91YejXfLXGp11HPUcyVWTXw1uuk+kxhMOM20iHtsXTURGgJSsN4KASL3dqmLUDhu9QPmqcYAmsOWUQnVhHPuOfpct/J4vJsLOD7mx/mxXXNojuTwGQztnIvncTVWblfvJAYTTlNFuRWIpKOYrIKqoD1GP/LvCdkrMm3YnswMc+DYnrlYMRF1LsA2c3Gue3k0og5mYm5eexvPh/N1vphMxb5XY6uSfBYxmHCa1UVfRasZTMcAkSHoWtF0qpDJh+inqsH57ZlCnU+fC8eYC2GbrdsMBNz7g+bCHHjt5+X8zc/5T2P0eZwJ+r03MZhwmirOvUBAQpXh/kmQR3iLIQgYUU7QbusWTZzPNBdMzLkSVBpn8FaH4DOYjMPxOb5VZZjHKupsXPmcH00MJlwCcU+LugdGUAV3ddGTx768R5hb1cmRISB45r/VrlYMZ82lmsF02wTMm/H3qjXmWD+vK1XM1ufzTGIw4RL1+cWZ4DanBkJDiDUQqSH0xajow3vG720ehXM9ay6AqDGFt4qbz4UQz3s1tszt2cRgwmWuXFWfEVQ31cTOhOfE63ScW5tuiEdRzdCY2pHbcfp51PNbia1nRs8mBhMuw5V6WtyJ9w1uIT8KMZjwJq5cXRP3xpVbu7uIwYQ3wWKeFnnifQLD/0jEYMKbya3Sx4m9X6begxhMeAgxmfcPHkx/NGIw4WHwywUPGKfFn7g//JuZj0QMJjwcjIbF7h/ETWJIPDY+YvUCMZjwFPjDs/p3IBjQ9Lcg/t3HFJOwEv8fH7F6gRhM+J+Byqma2F5M5nY2+EvbyQivxtU/XKRK/KjEYEL4wFj58evQ9HwLY/oI/3O0RQwmhG+IWqV9pD+o2yIGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOE2YjAhhNuIwYQQbiMGE0K4jRhMCOEmPn36P8G77ijAfx50AAAAAElFTkSuQmCC); +} + +.examples, .examples:hover{ + background-image: 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); + margin-right: 0px; +} + +h1 a, h1 a:link, h1 a:active, h1 a:visited, h1 a:hover{ + text-align: left; + text-shadow: 1px -1px rgba(255,255,255,1); + color:#505050; !important; + text-decoration: none; +} + +.index_box h1{ + position: absolute; + bottom: 0px; +} diff --git a/public/marvinjs/css/substructuresearch.css b/public/marvinjs/css/substructuresearch.css new file mode 100644 index 000000000..53d86144e --- /dev/null +++ b/public/marvinjs/css/substructuresearch.css @@ -0,0 +1,34 @@ + #tableNameText{ + visibility: hidden; + } + + .error-container { + color: red; + } + + .image-container { + margin-top: 10px; + margin-bottom: 30px; + display: inline-table; + } + .mol-cell { + display: inline; + float: left; + margin-top: 4px; + margin-bottom: 4px; + margin-left: 4px; + margin-right: 24px; + } + .mol-cell span { + font-weight: bold; + padding-top: 2px; + padding-left: 2px; + padding-right: 2px; + background: lightgrey; + } + .mol-cell img, .mol-cell iframe { + display: block; + box-shadow: 2px 2px 8px #444; + } + + diff --git a/public/marvinjs/demo.html b/public/marvinjs/demo.html new file mode 100644 index 000000000..104feaa69 --- /dev/null +++ b/public/marvinjs/demo.html @@ -0,0 +1,47 @@ + + + + + + Marvin JS + + + + + + + + + +
+ + diff --git a/public/marvinjs/docs/README.html b/public/marvinjs/docs/README.html new file mode 100644 index 000000000..6cc64c102 --- /dev/null +++ b/public/marvinjs/docs/README.html @@ -0,0 +1,11 @@ + + + + + +Marvin JS README + + +The content of this page is moved here. + + \ No newline at end of file diff --git a/public/marvinjs/docs/compatibility.html b/public/marvinjs/docs/compatibility.html new file mode 100644 index 000000000..a759508b8 --- /dev/null +++ b/public/marvinjs/docs/compatibility.html @@ -0,0 +1,68 @@ + + + + + + Marvin JS - Compatibility + + + + + +

Marvin JS - Compatibility

+
Back to index
+

Current browser

+

If every field is green in the table below, it means that Marvin JS editor can run in your browser +(compatibility mode of IE excluded).

+ + + + + + + + + + + + +
JavaScript enabled + + +
HTML5 canvas + + + +
Web support + + + +
+

Note for Internet Explorer users

+

Marvin JS does not support compatibility mode in Internet Explorer.

+ +

In most cases, you can switch on/off compatibility mode in your IE. +For IE 8, 9 and 10 these settings can be reached from the Tools menu (ALT+T). +For other IE version, please, visit the appropriate website.

+

Note that all intranet sites are set to run in compatibility mode by default. +In this case, please, consult with your system administrator.

+
Back to index
+ + + diff --git a/public/marvinjs/docs/dev/embed.html b/public/marvinjs/docs/dev/embed.html new file mode 100644 index 000000000..f438ef296 --- /dev/null +++ b/public/marvinjs/docs/dev/embed.html @@ -0,0 +1,146 @@ + + + + + + Marvin JS - How to embed it + + + + + + + +

Marvin JS - How to embed it

+
Back to index
+ +

Insert an iframe into your page and specify its size. It will determine the dimensions of the editor. Load the editor.html file into +this frame and define an id that helps to refer to it later. The size of the iframe should be set in exact units +(e.g. pixels): the minimum values should be 500px * 450px. It's recommended to set its overflow property to hidden and to set a solid border to the iframe element. +

+
<iframe id="sketch" src="../editor.html" 
+	style="overflow: hidden; min-width: 500px; min-height: 450px; border: 1px solid darkgray;"  />
+ +

If you need default web services but you do not wish setup each one, you can use alternative version of editor.html: editorws.html +

It presets default web services at startup.

+ +
<iframe id="sketch" src="../editorws.html" 
+	style="overflow: hidden; min-width: 500px; min-height: 450px; border: 1px solid darkgray;"  />
+

Please, note that web services have to be available at the default location that webservices.js defines. You can modify the default location in this file +by overwriting these settings. editorws.html refers to this external JavaScript file when it retrieves the default webservice config. +If you link this file into your code, you can also refer to it by the getDefaultServices() function.

+ +

Accessing functions of the sketcher

+ +

There is no guarantee that the editor is already alive when the loading of the parent page (where its iframe is inserted) has been finished.

+

Because of this, getting the reference to the editor is not trivial.

+

We provide a helper API to access it. Below, we demonstrate how to use this helper API or how you can access the sketcher without it. +

+

+ +

Embed with the helper API

+

The marvinjslauncher.js JavaScript library provides an interface to control the event when the editor is loaded and helps to get a reference to the editor to be +able to refer to the editor API.

+ +

First of all, insert the following lines into header of your web page to import it +(promise-1.0.0.min.js is a dependency of marvinjslauncher.js).

+
<script src="gui/lib/promise-1.0.0.min.js"></script>
+<script src="js/marvinjslauncher.js"></script>
+ + +

The marvinjslauncher.js loads the MarvinJSUtil object whose functions are described below. This API operates with +Promise objects. If you are not familiar with the Promise pattern, you can read more about it here: +Promise/A

Not all browsers provide Promise implementation yet. Because of this, we +need the promise-1.0.0.min.js, that provides Promise implementation where it is not implemented yet. + +

+ +
MarvinJSUtil.getEditor(iframeid) Promise
+ +
+

Description + Returns a dynamically generated Promise object to observer when the sketcher in the given iframe has been successfully loaded or failed.

+

Parameters

+

+

iframeid

+

Type: String

+

The ID of the iframe that contains the sketcker

+
+

Returns

+
+

A Promise object to access the reference to the loaded sketcher object or get a notification if loading of the sketcher failed.

+
+

Usage

+

Call the then(onFullfiled, onRejected) function of the Promise returned by MarvinJSUtil.getEditor(iframeid) to be able to store + the reference to the sketcher.

+ 
var marvinSketcherInstance;
+MarvinJSUtil.getEditor("#sketch").then(function(sketcherInstance) {
+	marvinSketcherInstance = sketcherInstance;
+}, function(error) {
+	alert("Loading of the sketcher failed"+error);
+});
+ +
+
+
+ +
MarvinJSUtil.getPackage(iframeid) Promise
+ +
+

Description + Returns a dynamically generated Promise object to observer when the Marvin JS package is ready to be used in the given iframe.

+

Parameters

+

+

iframeid

+

Type: String

+

The ID of the iframe that contains the sketcker

+
+

Returns

+
+

A Promise object to access the reference to the object that wraps the Marvin JS API in the given iframe or gets a notification if any error occurs during its loading.

+
+

Usage

+

Call the then(onFullfiled, onRejected) function of the Promise returned by MarvinJSUtil.getEditor(iframeid) to be able to store + the reference to the sketcher.

+ 
var marvin;
+MarvinJSUtil.getPackage("#sketch").then(function(marvinPackage) {
+	marvin = marvinPackage;	
+}, function(error) {
+	alert("Marvin package is not available:" +error);
+});
+
+
+ +

Embed without the helper API

+ +

If you do not use the helper API, accessing of the sketcher is more complicated but not impossible:

+
var marvinSketch;
+
+document.getElementById("sketch").addEventListener("load", function() { // listen when the document in the iframe is loaded
+
+	var eframeWin = document.getElementById("sketch").contentWindow;
+		if(typeof eframeWin != 'undefined') { // if the contentWindow property of iframe is available, you can access inner content
+			try {
+				var marvin = eframeWin.marvin; // reference to marvin library in the iframe
+				if(marvin != null) {
+					marvin.onReady(function() { // onReady is performed when loading of the marvin API is ready (hopefully, sketcher is already instantiated)
+						// an editor instance is created automatically in the iframe
+						if(typeof marvin.sketcherInstance != 'undefined') { // undefined if you have no right to access it or instantiation failed
+							marvinSketch = marvin.sketcherInstance;
+							marvinSketch.importAsMrv(s);
+						}
+					});
+				}
+			} catch(e) {
+				alert(e);
+			}
+		}
+	});
+
Back to index
+ + + + diff --git a/public/marvinjs/docs/dev/webservices.html b/public/marvinjs/docs/dev/webservices.html new file mode 100644 index 000000000..bb976c93c --- /dev/null +++ b/public/marvinjs/docs/dev/webservices.html @@ -0,0 +1,217 @@ + + + + +Marvin JS - Webservices + + + +

Marvin JS - Webservices

+
Back to index
+ +

Extended functionalities

+

Extended functionalities means those features that are only available when web services are setup.

+ +

Refer web services

+

By default, those functionalities in the editor that require live connection to existing web services are disabled. +To activate them, you have to set up address of these web services for the editor.

+

Use the setServices method of the editor to apply its webservice settings. See +the Sketch apidoc for more details. If you want to activate all web services, please, see +the How To Embed section in the documentation that describes how you can insert an editor into a web page where all available web services are preset.

+

The default address of these services is defined in the webservices.js. By default, it points to a copy of +JChem Webservices.

+

If you have your own implementation for these services or your copy of JChem Webservices are located on a different URL, +you may have to overwrite default settings.

+ +

Specification of Webservices

+

Those web services that are referred by Marvin JS have to complete the following specifications.

+

Clean 2D / 3D

+ + +

MolConvert

+ + +

Stereo info

+ + +

reactionExport

+ + +

Hydrogenize

+ + +

AutoMapper

+ + +

Aromatize/dearomatize

+ +
Back to index
+ + + diff --git a/public/marvinjs/docs/images/no.png b/public/marvinjs/docs/images/no.png new file mode 100644 index 0000000000000000000000000000000000000000..c634aa69d5ea72ef58eb00cfcfc5e23711034303 GIT binary patch literal 699 zcmV;s0!00ZP)OEGLYyF@xC?y?vjjy<;ouz=87|&hvTB`M&2B=nq?)np*!f zH|Ndl?oyT2%5%A+BQiBM((Tbv+11;7ue@GRgT0-dr*cnENHiFz$?Ya1E?+7ZL%PF5qLUN4j2wGiTXY6u083vVX+)7e0P-c7q(||%Ah4M?M@GD2 zK2IVFZ}|OG2R}nmT9P=x+TBe?bdgzHq}o7$1VC12XUQ=+DGO1jQ#nR4dr=Q}kB?K! z*cjJkb8wIY?#|5oKDW117FyH|3{Vnd9;VYIJkjfwLN3P(800!$da$xWI+Lm5>zr+G z(>rulz=-ujLnJ`t*VEG^JSMJ9$u5GN@9&e09J|aqs)5+%t}c?$?Oy<94zw63wyhc) z=W{g50aXyR9yKo*pnL>ow;)(>VS&dPv|Wv2wUgD>R{9RT49J=BMb`01Nkr8=pn4!; z3YR6!d=>$4LJol z8`|GmUMAoCyv!Hrxyz+w;&J+ysh^m+iEU&<0|FC0lq8|F$}c-RL+1wv|Apw7fOb3m zI6bBN<*Teh-iE`WH1=G{=P!f^S}olS2B~FYqVi`dH>Sy6B+_;a5wocj&xsZbUGsYB h&hW5o_xUP*=U>E}0X#1vU~d2b002ovPDHLkV1g=5Mu-3a literal 0 HcmV?d00001 diff --git a/public/marvinjs/docs/images/yes.png b/public/marvinjs/docs/images/yes.png new file mode 100644 index 0000000000000000000000000000000000000000..06af59eeb6a073de92f08c88b676112236a6b312 GIT binary patch literal 747 zcmVSMO-R3jBI;jH>+~+yx{O&pb^E?#RSxuW=XdLVW z=jLJ1>dD#npEKAN5sk|k#W<3kORbF;Hv^wOvWFgBVbq};uq!zk27NdnqXH3L0sMp; z-Tec=q7O|4Rh7x{+gTB?l)Tqo!I%?LfQ?dc^CS3$-+&aL6&jfIaWJYQ0iS?Ajzjl{ z0d$nq5(ojrvj+u~PIgs8 z86t;45{BAlhhN0=slv)6tmZuAn=HtGXcH@8EoETLrNm#^+W@w|0p^G#?2kzYd#64a zaKD7biSz?-ynP1i<0{a!7JP*hI)xezt{v8w*NG-ZodMRkT(EcRgIidtz+TLd?O9x1du6dVcTsSst8)N0=3bHAg4G zus{RTe?T?4+FVDQm@JLQ_M zj9dRKVAMx}|K<)Fu`xUfv6KNisS3_Bb(DCO_t`Hp?wLva*JOe66X>m&p8bIiYu)Nq zUV)T9xyf{o4#Dg5{*xhv>AV`#R?#XPeYv$k>tyTXqpL dQ__NR{sJQY_=nW5Q$zp&002ovPDHLkV1kotOhNzv literal 0 HcmV?d00001 diff --git a/public/marvinjs/docs/index.html b/public/marvinjs/docs/index.html new file mode 100644 index 000000000..1621ef386 --- /dev/null +++ b/public/marvinjs/docs/index.html @@ -0,0 +1,28 @@ + + + + +Marvin JS Documentation + + + +

Marvin JS Documentation

+ + + + + + \ No newline at end of file diff --git a/public/marvinjs/docs/installationguide.html b/public/marvinjs/docs/installationguide.html new file mode 100644 index 000000000..b93a5c6b6 --- /dev/null +++ b/public/marvinjs/docs/installationguide.html @@ -0,0 +1,81 @@ + + + + +Marvin JS - Installation Guide + + + +

Marvin JS - Installation Guide

+ + +

Software requirement

+

Marvin JS is a web based editor. Please, upload it to a web server and +refer to its URL in your browser.

+

Server side

+ +OR + +

Please, consider that JChem Webservices (under version 15.10.26) requires Standardizer licence for the auto mapper functionality. From version 15.10.26 this web service is available with Marvin JS license.

+

We only recommend the usage of JChem WebServices if you use additional search, calculation or structure checker functions, which are not included in Marvin JS Web Services.

+

Client side

+ + +

License requirement

+

Marvin JS requires Marvin JS license. Consult with the sales team where you have to place the license file where your copy +of Marvin JS package can access.

+

JChem Webservices also accepts Marvin JS license, it is used by only Marvin JS. Consult with its manual how to setup its license.

+ +

Installation

+ +

Deploy Marvin JS

+ +

Download the Marvin JS zip package from the ChemAxon site.

+ +

Deploy Marvin JS into an Apache Tomcat Container

+

JChem Webservice requires a servlet container like Apache Tomcat. If you would like to install both Marvin JS and JChem Webservices, it worths +to install both of them into the Tomcat Container. In this case, the web root can be an ideal place where you can deploy Marvin JS: +

    +
  • Navigate into the webapps folder of Tomcat and enter its ROOT subdirectory.
    • +
  • Create a new folder in this directory (e.g. marvinjs). +
  • Extract the Marvin JS zip file into this new directory.
    • +
+ +

Deploy Marvin JS under any web server

+

Extract the zip file into a new empty directory (e.g. marvinjs) and deploy it under your web server.
+(Consult with the manual of the server or its administrator how to deploy new content there.)

+ +

Install web services for Marvin JS

+

If you need extended functionalities, ChemAxon JChem Webservices is required.

+

Marvin JS can communicate with other web service implementations that are compatible with the ChemAxon provided version. +See the required web service specifications

+
    +
  • Download ChemAxon JChem Webservices (v14.7.21 or above).
  • +
  • Install the required web services under the same domain as the web server hosts.
    +Please consult with the appropriate installation guide of JChem Webservices. You can find the download link for the recommended webservice version on the Marvin JS download site.
    • +
  • Marvin JS searches web services on the following URL: /webservices2.
    If your web service copy is available on a different URL, +please, modify settings in Marvin JS. +
      +
    • Modify web service location in the webservices.js file, which you can find in the root of the Marvin JS package.
      • +
    +
    • +
+ +

Note: If web services and Marvin JS are located on different domains, the browser can block the access of web services at runtime +since the request may harm the same origin policy of the browser.

+ +

Try the deployed version

+

Open examples of Marvin JS package from your web server in your browser to check whether the deployment was successful:

+

http://<web server url>/<marvinjs directory path>/examples/

+ + + + diff --git a/public/marvinjs/docs/manual/index.html b/public/marvinjs/docs/manual/index.html new file mode 100644 index 000000000..f1a287dba --- /dev/null +++ b/public/marvinjs/docs/manual/index.html @@ -0,0 +1,7 @@ + + + + + + + diff --git a/public/marvinjs/docs/troubleshoot.html b/public/marvinjs/docs/troubleshoot.html new file mode 100644 index 000000000..4bb10af89 --- /dev/null +++ b/public/marvinjs/docs/troubleshoot.html @@ -0,0 +1,109 @@ + + + + + + + Marvin JS - Troubleshoot + + + + + +

Marvin JS - Troubleshoot

+ + +

Sketch does not appear in the iframe on my page

+ +
    +

  • Please, check whether the reference to editor.html or editorws.html in the src attribute of the iframe is correct.

    • +

  • Sketch requires HTML5 canvas. Please, check whether your browser support HTML5 canvas. It is not available in old browsers like IE8.

    • +
+ +

Import / Export button does not work on demo example page

+

The initialization of the example failed, the custom JavaScript code does not find the reference to the sketcher. +Reasons: +

    +

  • When the iframe is empty the editor is not alive, thus it can not be referred.

    • +

  • Error message on the JavaScript console: Error: Permission denied to access property 'marvin' : The browser blocks accessing of the iframe content from external JavaScript code if it + violates the same-origin policy. The browser considers that the hosted page and the iframe content come from the same-origin. If both arrives from the local filesystem (file://...), in most cases they + are identified as different origins. See: Same-origin policy for file: URIs

    • +
+ +

2D clean drops error

+

Please, note that 2D coordinate calculation is performed at server side. Marvin JS posts the structure to the Clean2D web service that generates the new coordinates and sends it back to the editor in an MRV. +The clean 2D operation can fail if +

    +
  • The web service is not available on the expected URL.
    • +
  • The browser may block the communication between Marvin JS and the server since it harms the same orgin policy of the browser.
    • +
  • Internal server error occurs during performing the calculation.
    • +
+

Please, check that web service is available and it is installed properly, see the installation guide of Marvin JS. +If it is necessary, consult with the system administrator of the server that hosts the web services.

+

+ +

Stereo calculation drops error

+

It uses Stereo Info web service to calculate stereo info. It may be the same problem than 2D clean issue. + +

SMILES format does not work in Open and in Save dialog

+

SMILES import/export requires MolConvert web service. If it is configured for the editor but it cannot be accessed, you can get an error message. +Conversion can fail in the similar cases than 2D clean fails.

+ +

Download button in Save dialog does nothing

+

This error may appear in the following situation:

+
    +

  • Desired output format is different than MDL molfile or Marvin Document (output file is generated on the remote server by the MolConvert Webservice).

    • +

  • The web page where Marvin JS is embedded is accessed via HTTP secure protocol (its URL address starts with https://).

    • +

  • A proxy is configured as a frontend for Tomcat servlet container (where MolConvert Webservice is located) and the proxy is configured for https while Tomcat not.

    • +
+

In this case, the URL of the output file generated by the webservice is incorrect: starts with http instead of https. +The browser will block downloading this unsecure content in current secure environment. On the JavaScript console you can find the trace of the blocking.

+

Solution

+

To resolve the issue, modify the proxy settings: +

    +

  • If the proxy is apache: RequestHeader set X-Forwarded-Proto "https"

    • +

  • If the proxy is nginx: more_set_headers "X-Forwarded-Proto: https";

    • +
+then edit Tomcat server.xml: add the following to the <Host> section: +
<Valve className="org.apache.catalina.valves.RemoteIpValve"
+remoteIpHeader="x-forwarded-for"
+remoteIpProxiesHeader="x-forwarded-by"
+protocolHeader="x-forwarded-proto"/>
+ +There are other values that can be set and used: see Tomcat documentation

+ + + +

At the first time after updating the package on the site, the editor is not launched.

+

It may be a browser caching issue. This problem occurs when the content of Marvin JS package is modified (replace to a new version) but the browser still attempts to load the old one. +Since the browser has already cached the old version earlier, it tries to prefer the cached version instead of the new one. +In most cases, the user may not realize that the browser loads out-dated resources by running the editor. He faces with the issue when an out-dated resource requires any resource +that does exist anymore on the server.

+

To resolve the issue, purge out-dated content from this cache. If you apply a Shift+Reload on the current page, browser refreshes only those content in the local cache that belongs to this page. +Clearing of the whole browser cache also resolves the issue. +

+

If you would like to prevent your users to run into this issue, modify the configuration of the server where Marvin JS package is hosted. +When the web server hosts a content, it can indicate that it is cacheable or not. +As the browser receives the content, it considers to cache it by those information that the server wrote in the header of the content. +These info can be the expiration date or various caching directives.

+

The best practice is skipping the caching of each file (from Marvin JS package) whose name contains the .nocache. pattern.

+

Apache2

+If Marvin JS package is hosted by an Apache server, the recommended settings is specifying a Cache-Control directive the HTTP headers of those files where the given pattern match. +When you modify its config file, please, check whether the mod_expires module is switched on. +
<ifmodule mod_expires.c>
+  <Files *.nocache.*>
+    ExpiresActive on
+    ExpiresDefault "access"
+    Header merge Cache-Control "public, max-age=0, must-revalidate"
+  </Files>
+</ifmodule>
+

Tomcat 7

+

If Marvin JS is wrapped into a web application, there is the chance to control what directives appear in the HTTP headers of web application contents. +Under Tomcat 7, you can apply a built in filter or define a new one to modify HTTP headers for your web application. +Please consult with the manual of your servlet container, how to switch off caching for each file whose name contains the .nocache. pattern.

+

If you manage to achieve that the response header contains the following lines at *.nocache.* files, it is enough to prevent their caching. +

Cache-Control	no-cache, no-store
+Pragma	no-cache

+ + + diff --git a/public/marvinjs/editor.html b/public/marvinjs/editor.html new file mode 100644 index 000000000..81d83189f --- /dev/null +++ b/public/marvinjs/editor.html @@ -0,0 +1,43 @@ + + + + + + Marvin JS + + + + + + + + +
+ + diff --git a/public/marvinjs/editorws.html b/public/marvinjs/editorws.html new file mode 100644 index 000000000..fda36c0ed --- /dev/null +++ b/public/marvinjs/editorws.html @@ -0,0 +1,44 @@ + + + + + + Marvin JS + + + + + + + + + +
+ + diff --git a/public/marvinjs/examples/abbreviations/demoabbrev.json b/public/marvinjs/examples/abbreviations/demoabbrev.json new file mode 100644 index 000000000..25c1ada91 --- /dev/null +++ b/public/marvinjs/examples/abbreviations/demoabbrev.json @@ -0,0 +1,9 @@ +{ + "templates": [{ + "structure": "", + "name": "Ac" + }, + {"structure":"\n\n\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n","name":"Custom AA" + } + ] +} \ No newline at end of file diff --git a/public/marvinjs/examples/abbreviations/myabbreviations.mrv b/public/marvinjs/examples/abbreviations/myabbreviations.mrv new file mode 100644 index 000000000..3cc3ceca0 --- /dev/null +++ b/public/marvinjs/examples/abbreviations/myabbreviations.mrv @@ -0,0 +1,3 @@ + + + \ No newline at end of file diff --git a/public/marvinjs/examples/abbreviations/myabbreviations.sdf b/public/marvinjs/examples/abbreviations/myabbreviations.sdf new file mode 100644 index 000000000..c3ffc99db --- /dev/null +++ b/public/marvinjs/examples/abbreviations/myabbreviations.sdf @@ -0,0 +1,44 @@ +Ac + Mrv1641104201715272D + + 3 2 0 0 0 0 999 V2000 + 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 2 0 0 0 0 +M STY 1 1 SUP +M SAL 1 3 1 2 3 +M SMT 1 Ac +M SAP 1 1 2 0 1 +M SDS EXP 1 1 +M END +$$$$ +Custom AA + Mrv1641104201715272D + + 9 8 0 0 0 0 999 V2000 + 0.3197 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.3197 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3948 0.8914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0342 0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7486 1.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0342 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8237 0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1092 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1092 2.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 4 1 0 0 0 0 + 4 5 2 0 0 0 0 + 1 6 1 0 0 0 0 + 3 8 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 2 0 0 0 0 + 2 3 1 0 0 0 0 +M STY 1 1 SUP +M SAL 1 9 1 2 3 4 5 6 7 8 9 +M SMT 1 Custom AA +M SAP 1 1 4 0 1 +M SDS EXP 1 1 +M END +$$$$ diff --git a/public/marvinjs/examples/checker/example-checker.html b/public/marvinjs/examples/checker/example-checker.html new file mode 100644 index 000000000..b658a7548 --- /dev/null +++ b/public/marvinjs/examples/checker/example-checker.html @@ -0,0 +1,527 @@ + + + + +Marvin JS Example - Structure checker + + + + + + + + + + + + + + +

Marvin JS Example - Structure Checker

+ +

Here is an example how to integrate Structure Checker web service into Marvin JS editor (In this case JChem WS requires the Structure Checker license). +If the molecule changes, its source will be sent to the Structure Checker to evaluate the structure with the selected types of checkers. +If any structure error is detected, it is highlighted on the structure and a detailed error message appears below the editor.

+

In this example, only Bond Length, Bond Angle and Atom Map checkers are used. +The full list of checkers are available here: Checker List

+
+ +
+
+

Structure Checker configuration

+
+

Structure Errors

+
+
+
+

Code comments

+

This examples requires molchange.js that defines MolChangeHandler class to aggregate molecule change events.

+

First of all, CheckersWS checks which services are availables. It provides a Promise to notify when the list of the available +services arrived (or notify if services are unreachables). +

After that, the following steps will be executed: +

    +
  • With the add function of the Checkers object, selected structure checkers are initialized.
    • +
  • Retrieves the reference for the sketcher that runs in the iframe and runs the onSketchLoaded function.
    • +
+
$(document).ready(function handleDocumentReady (e) {
+	var config = [ 
+		{id: "BondLengthChecker", color: "#ffe211", title: "Bond length"},
+		{id: "BondAngleChecker", color: "#ef6671", title: "Bond angle"},
+		{id: "AtomMapChecker", color: "#d26ff1", title: "Atom map"}
+	];
+	CheckersWS.then(function(services) {
+		for(var i = 0; i < config.length; i++) {
+			if($.inArray(config[i].id, services)) {
+				Checkers.add(config[i].id, config[i].color, config[i].title);
+			}
+		}
+		MarvinJSUtil.getEditor("#sketch").then(onSketchLoaded, function () {
+			alert("Cannot retrieve sketcher instance from iframe");
+		});
+	}, function(error) {
+		$('#checkers-panel-result').html('structure checker is not available');
+	});
+});
+});
+

The onSketchLoaded function instantiates a MolChangeHandler. Its first parameter is the reference of the editor to listen. +The second one is a callback function that is performed at each mol change event.

+
function onSketchLoaded(sketcherInstance) {
+	marvinSketcherInstance = sketcherInstance;
+	// aggregator for molecule change events
+	new MolChangeHandler(sketcherInstance, onMolChange);
+}
+

If you take a look at the add function of Checkers, you can see that it creates a CheckerWidget object for each checker.

+
	/** Appends a new checker to the document.
+	* @param id - the name of the checker as referred in JChem WS (see JChem WS documentation)
+	* @param color - colorizes the result (atoms/bonds) in the editor with this color
+	* @param title - the short description of the checker that displays in the config panel below.
+	*/
+	function add(id, color, title) {
+		var widget = new CheckerWidget(id, color, title);
+		$("#checkers-panel-config").append(widget.asWidget());
+		widgets.push(widget);
+	}
+

Returning to the onMolChange function, you can see that it resets the current highlight on the sketcher, gets the source of the current structure and performs a +structure check on it.

+
function reset() {
+	// reset current highlight
+	marvinSketcherInstance.setHighlight({});
+	$('#checkers-panel-result').empty();
+}
+
+var last = null;
+
+function onMolChange(e) {
+	last = e;
+	reset();
+	e.target.exportStructure("mrv").then(function(source) {
+		if(!e.isDeprecated) { // unless a newer molchange event deprecate this event
+			e.source = source;
+			Checkers.check(source);
+		}
+	},alert);
+}
+

If you take a closer look at the Checkers.check function, you can see those CheckerWidgets are enabled where the checkboxes were previously checked. It creates the input for the Structure Checker web service. +Finally, it calls the send method with the created object.

+
	/**
+	* Performs the structure checking on the given molecule source.
+	* @param source - the molecule source in MRV format.
+	*/
+	function check(source) {
+		var json = {};
+		json.structure = source;
+		json.parameters = {};
+		json.parameters.checkers = [];
+		for(var i = 0; i < widgets.length; i++) {
+			var widget = widgets[i];
+			if(widget.isEnabled()) {
+				json.parameters.checkers.push({"checkerId": widget.getId() });
+			}
+		}
+		if(json.parameters.checkers.length == 0) {
+			return;
+		}
+		send(json);
+	}
+

The send invokes the web service, then call onSuccess function when the response of web service is received or onFail if any error occured.

+
	/* Sends an async request to Structure checker web service. */
+	function send(json) {
+		var wsBase = getDefaultServicesPrefix();
+		// arrange the input for the Structure Checker web service
+		$.ajax({
+			"url": wsBase + "/rest-v0/util/calculate/structureChecker"
+			,"type": "POST"
+			,"dataType": "json"
+			,"contentType": "application/json"
+			,"data": JSON.stringify(json)
+		}).done(function (data, textStatus, jqXHR) {
+			onSuccess(data);
+		}).fail(onFail);
+	}
+

The onSuccess function gets the response of the web service as a parameter (data). Its header field contains the id of the performed checkers. +Each checker result can be referred with its own id. E.g. data.bondlength describes the result of bondlength checker. +A checker result can contain many fields but only the following one are relevant in this case: +

    +
  • checkerName: the title of the checker
    • +
  • description: the error message
    • +
  • errors: a complex object that also describes which atoms and bonds are affected.
    • +
+The checkerName and the decription is displayed on the current page in the checkers-panel-result div. +Meanwhile the affected atoms and bonds are highlighted in the sketcher. +
/* Callback to process web service result. */
+	function onSuccess(data) {
+		var highlights = [];
+		if(typeof data.headers == 'object') {
+			for(checkerId in data.headers) {
+				if(data.headers.hasOwnProperty(checkerId) && isCheckerResult(data[checkerId])) {
+					var widget = getWidget(checkerId);
+					if(widget) {
+						// display error message
+						var message = "("+data[checkerId].checkerName+"): "+data[checkerId].description;
+						$('#checkers-panel-result').append(widget.createErrorWidget(message));
+						// calculate context to highlight
+						if(typeof data[checkerId].errors == 'object') {
+							var indexes = {};
+							indexes.atoms = getAtoms(data[checkerId].errors.atoms);
+							indexes.bonds = getBonds(data[checkerId].errors.bonds);
+							if(indexes.atoms.length || indexes.bonds.length) { // add highlight unless context is empty
+								highlights.push({
+									'style': {
+										'color': widget.getColor(),
+										'opacity': 0.25
+									},
+									'indexes': indexes
+								});
+							}
+						}
+					}
+				}
+			}	
+		}
+		// highlight atoms and bonds
+		marvinSketcherInstance.setHighlight(highlights);
+	}
+

Changing of the configuration (check/uncheck checkbox or modify checker color) also triggers the checking of the structure +(whose source was already stored in the source property of the last molchange event). +

function onConfigChange(e) {
+	// reevaluate last consumed molchange event when congfiguration is changed
+	if(last && !last.isDeprecated && (typeof last.source == 'string')) {
+		reset();
+		Checkers.check(last.source);
+	}
+}

+
+ + + diff --git a/public/marvinjs/examples/checker/molchange.js b/public/marvinjs/examples/checker/molchange.js new file mode 100644 index 000000000..d7994ea48 --- /dev/null +++ b/public/marvinjs/examples/checker/molchange.js @@ -0,0 +1,61 @@ + +/* Notify about molchange events and provides the mol source of the new structure. */ +var MolChangeHandler = (function() { + + function createEvent(sketcher) { + return { + date: new Date(), + target: sketcher, + isDeprecated: false + } + } + + // purge event queue (deactivate events that found there) + function reset(eventQueue) { + for(var i = 0; i < eventQueue.length; i++) { + eventQueue[i].isDeprecated = true; + } + eventQueue = []; + } + + var DELAY = 1000; + + /* + * Constructor of MolChangeHandler. + * @param bind to this Marvin JS editor instance + * @param triggered function at molchange event. + * */ + function MolChangeHandler(sketcher, onSuccess) { + this.sketcher = sketcher; + this.onSuccess = onSuccess; + this.pending = false; + this.eventQueue = []; + var that = this; + this.sketcher.on('molchange', function() { + onMolChange(that); + }); + } + + // wait to aggregate molchange events + function onMolChange(that) { + if(!that.pending) { + that.pending = true; + setTimeout(function() { + that.pending = false; + fireEvent(that); + }, DELAY); + } + } + + // trigger a new event + function fireEvent(that){ + var e = createEvent(that.sketcher); + reset(that.eventQueue); + that.eventQueue.push(e); + var callback = that.onSuccess; + callback(e); + } + + return MolChangeHandler; +}()); + diff --git a/public/marvinjs/examples/demo.html b/public/marvinjs/examples/demo.html new file mode 100644 index 000000000..7b0cf635e --- /dev/null +++ b/public/marvinjs/examples/demo.html @@ -0,0 +1,427 @@ + + + + + Marvin JS Examples - Demo + + + + + + + + + +

Marvin JS Examples - Demo

+ +
+
+ +
+
+
+
+
    +
  • Display options
    • +
    • +
    • +
    • +
+
+
+
    +
  • + + + text as + +
    • +
  •  
    • +
    • +
    • +
+
+ +
+
+ +
+
+ +

In this example, you can import a molecule from MDL molfile or MRV format into the editor with the help of the Import and Paste buttons. While the Import button overwrites the canvas content, submitting of the Paste button preserves the current structure and appends the new one.

+ +

With the Molfile Export and MRV Export buttons, you can retrieve canvas content in the desired format.

+ +

In this example, you can also control display settings of the editor with the proper checkboxes.

+ +

You can find the commented code below:

+

The InputControllerClass is responsible for the input form that involves the Import, Paste, Reset, Mol Export, MRV Export buttons, the format selector combo box and the text area for molecule source. + It manages the click events of the buttons and provides functions to get/set text from/to the text box.

+ + 
+		
+		var InputControllerClass = (function () {
+
+			var delay = 5;
+
+			function InputControllerClass (importButton, pasteButton, formatDropdown, resetButton,	molExportButton, mrvExportButton, srcTextBox) {
+
+				this.importButton		= importButton;
+				this.pasteButton		= pasteButton;
+				this.formatDropdown		= formatDropdown;
+				this.resetButton		= resetButton;
+				this.molExportButton	= molExportButton;
+				this.mrvExportButton 	= mrvExportButton;
+				this.srcTextBox 		= srcTextBox;
+				this.init();
+			}
+
+			InputControllerClass.prototype.init = function init () {
+				this.importButton.on("click", $.proxy(this.handleImportBtnClick, this));
+				this.pasteButton.on("click", $.proxy(this.handlePasteBtnClick, this));
+				this.resetButton.on("click", $.proxy(this.clearTxt, this));
+				this.molExportButton.on("click", $.proxy(this.handleMolExportBtnClick, this));
+				this.mrvExportButton.on("click", $.proxy(this.handleMrvExportBtnClick, this));
+			};
+
+			InputControllerClass.prototype.handleImportBtnClick = function handleImportBtnClick (e) {
+				this.delayCall(importMolAction, [this.getTxt(), this.getFormat()]);
+			};
+
+			InputControllerClass.prototype.handlePasteBtnClick = function handleImportBtnClick (e) {
+				this.delayCall(pasteMolAction, [this.getTxt(), this.getFormat()]);
+			};
+
+			InputControllerClass.prototype.handleMolExportBtnClick = function handleMolExportBtnClick (e) {
+				this.delayCall(exportMolAction, ["mol"]);
+			};
+
+			InputControllerClass.prototype.handleMrvExportBtnClick = function handleMolExportBtnClick (e) {
+				this.delayCall(exportMolAction, ["mrv"]);
+			};
+
+			InputControllerClass.prototype.delayCall = function delayCall (method, args) {
+				setTimeout(function () {
+					method.apply(null, args);
+				}, delay);
+			};
+
+			InputControllerClass.prototype.getTxt = function getTxt () {
+				return this.srcTextBox.val();
+			};
+
+			InputControllerClass.prototype.setTxt = function setTxt (txt) {
+				this.srcTextBox.val(txt);
+			};
+
+			InputControllerClass.prototype.clearTxt = function clearTxt () {
+				this.setTxt("");
+			};
+
+			InputControllerClass.prototype.getFormat = function getFormat (e) {
+				return this.formatDropdown.val();
+			};
+
+			return InputControllerClass;
+
+		}());
+ +

The MarvinControllerClass is responsible for updating display settings if the state of the CPK coloring or Carbon label visibility checkboxes are modified on the current page. +

The MarvinControllerClass also provides a reference to the sketcher instance. It is necessary to be able to call the molecule import / export function of the sketcher.

+ 

+		var MarvinControllerClass = (function () {
+
+			function MarvinControllerClass ( sketcherInstance, cpkCheckbox, mapCheckbox, carbonCheckbox) {
+				this.sketcherInstance 	= sketcherInstance;
+				this.cpkCheckbox 		= cpkCheckbox;
+				this.mapCheckbox 		= mapCheckbox;
+				this.carbonCheckbox 	= carbonCheckbox;
+				this.init();
+			}
+
+			MarvinControllerClass.prototype.init = function init () {
+				this.carbonCheckbox.on("change", $.proxy(this.handleCarbonCheckBoxChange, this));
+				this.mapCheckbox.on("change", $.proxy(this.handleMapCheckBoxChange, this));
+				this.cpkCheckbox.on("change", $.proxy(this.handleCpkCheckBoxChange, this));
+			};
+
+			MarvinControllerClass.prototype.handleCarbonCheckBoxChange = function handleCarbonCheckBoxChange (e) {
+				this.sketcherInstance.setDisplaySettings({
+					"carbonLabelVisible" : this.carbonCheckbox.is(':checked')
+				});
+			};
+			
+			MarvinControllerClass.prototype.handleMapCheckBoxChange = function handleMapCheckBoxChange (e) {
+				this.sketcherInstance.setDisplaySettings({
+					"atomMapsVisible" : this.mapCheckbox.is(':checked')
+				});
+			};
+
+			MarvinControllerClass.prototype.handleCpkCheckBoxChange = function handleCpkCheckBoxChange (e) {
+				this.sketcherInstance.setDisplaySettings({
+					"cpkColoring" : this.cpkCheckbox.is(':checked')
+				});
+			};
+
+			return MarvinControllerClass;
+
+		}());
+

Both InputControllerClass and MarvinControllerClass are instantiated when the page is loaded and the sketcher is loaded: getMarvinSketchIntstance("#sketch").done(...). + The initial value of the text box is set after page loading is finised.

+ 

+		$(document).ready(function handleDocumentReady (e) {
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+
+				marvinController = new MarvinControllerClass(
+					sketcherInstance,
+					$("#chbx-coloring"),
+					$("#chbx-map"),
+					$("#chbx-carbonVis")
+				);
+
+				inputController = new InputControllerClass(
+					$("#btn-setMdlmolfile"),
+					$("#btn-paste"),
+					$("#list-inputformat"),
+					$("#btn-clearTxt"),
+					$("#btn-molExport"),
+					$("#btn-mrvExport"),
+					$("#molsource-box")
+				);
+
+			}, function () {
+				alert("Cannot retrieve sketcher instance from iframe");
+			});
+
+			$("#molsource-box").val(caffeineSource);
+		});
+
+

InputControllerClass calls one of these functions with some delay when Import, Export as Mol or Export As Mrv button is pressed.

+ 
		
+		function pasteMolAction (txt, format) {
+			var pastePromise = marvinController.sketcherInstance.pasteStructure(format, txt);
+			pastePromise.then(function() {}, function(error) {
+				alert(error);
+			});
+		}
+
+		function importMolAction (txt, format) {
+			var importPromise = marvinController.sketcherInstance.importStructure(format, txt);
+			importPromise.then(function() {}, function(error) {
+				alert(error);
+			});
+		}
+
+		function exportMolAction (format) {
+			var ic = inputController;
+			
+			var exportPromise = marvinController.sketcherInstance.exportStructure(format, null);
+			exportPromise.then(function(source) {
+				ic.setTxt(source);
+			}, function(error) {
+				ic.setTxt(error);
+			});
+		}
+ + + + diff --git a/public/marvinjs/examples/eflow/alternative-eflow.html b/public/marvinjs/examples/eflow/alternative-eflow.html new file mode 100644 index 000000000..275493e07 --- /dev/null +++ b/public/marvinjs/examples/eflow/alternative-eflow.html @@ -0,0 +1,34 @@ + + + + + Marvin JS Example - Alternative electron flow arrow + + + + + + + +
+ +
+ + diff --git a/public/marvinjs/examples/example-abbrevs.html b/public/marvinjs/examples/example-abbrevs.html new file mode 100644 index 000000000..8db841c13 --- /dev/null +++ b/public/marvinjs/examples/example-abbrevs.html @@ -0,0 +1,124 @@ + + + + + Marvin JS Example - Load Custom Abbreviation list + + + + + + + + +

Marvin JS Example - Load Custom Abbreviation list

+ + In this example, custom abbreviation list is loaded, which contains Ac group abbreviation and a custom abbreviated group, named Custom AA. + Just specify the URL of the custom abbreviation list in the data-abbrevsurl attribute of the iframe that contains the editor.

+ Each group in the abbreviation list is described in MDL molfile V2000 or MRV format. + Each group is a titled compound both in molfile and in MRV format the molecule name has to be specified. The molecule name is parsed + as the label of the menu item in the Abbreviation dialog. + Each compound describes an expanded abbreviated (superatom) S-group. + The abbreviation list can be accepted in the following flavors: + + SD file + MRV file + JSON + +
    +

  • SD file

    + Groups in MDL molfile V2000 format are concatenated into an SDfile ($$$$ is the separator among items). + + 
    <div class="resizable">
+	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" 
+	data-abbrevsurl="examples/abbreviations/myabbreviations.sdf"></iframe>
+</div>
+
    +
    • +

  • MRV file

    + More MRV sources are merged into a multi-compound MRV file (more MDocument tags are enclosed into the root cml tag). + 
    <div class="resizable">
+	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" 
+	data-abbrevsurl="examples/abbreviations/myabbreviations.mrv"></iframe>
+</div>
+
    +
    • +

  • JSON

    + By using the JavaScript Object Notation (JSON), you can also pass abbreviations to the editor. + You need a JavaScript object with a templates property whose value is an array. Each array item is a JavaScript object that describes an abbreviated group. + The mandatory property of each JavaScript object is the structure property that specifies the molecule source of the abbreviated group. + It can be in MRV of MolV2000 format. + The JavaScript object can contain a name field optionally. This field determines the label of the item in the Abbreviated groups dialog. + If this field is not specified, the name of the molecule (specified in the molecule source) will be displayed in the list in the dialog. + 
    
+		{
+			"templates": [
+				{ "structure": <mol source> },
+				{ "structure": <mol source>, "name": <title> }
+			]
+		}
+
    + where <mol source> is the JavaScript escaped molecule source in MRV or MolV2000 format. <title> is the label of the menu item in the dialog. + 
    <div class="resizable">
+	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" 
+	data-abbrevsurl="examples/abbreviations/demoabbrev.json"></iframe>
+</div>
+
    +

    You can generate your own templates file via the following form: Create abbreviation

    +
    • +
+
+
+ +
+

Resource file

+ +
+
+ + + + diff --git a/public/marvinjs/examples/example-addbutton.html b/public/marvinjs/examples/example-addbutton.html new file mode 100644 index 000000000..5b5321791 --- /dev/null +++ b/public/marvinjs/examples/example-addbutton.html @@ -0,0 +1,71 @@ + + + + + + Marvin JS Example - Add custom button to the toolbar + + + + + + + + + +

Marvin JS Example - Add custom button to the toolbar

+ +
+
+ +
+
+
+

Append a custom button to the toolbar at startup (the icon URL is relative to the editor.html document):

+ 

+	var marvinSketcherInstance;
+	var buttonAttributes;
+		
+	$(document).ready(function handleDocumentReady (e) {
+
+	
+	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+		marvinSketcherInstance = sketcherInstance;
+		buttonAttributes = {
+			"name" : "custom",
+			"image-url" : "examples/images/custom-icon.png",
+			"toolbar" : "W"
+		};
+		marvinSketcherInstance.addButton(buttonAttributes, function() {
+			alert('The custom button has been pushed.');
+		});
+	}, function () {
+		alert("Cannot retrieve sketcher instance from iframe");
+	});
+});
+
+
+ + + diff --git a/public/marvinjs/examples/example-addtemplate.html b/public/marvinjs/examples/example-addtemplate.html new file mode 100644 index 000000000..26acb2f32 --- /dev/null +++ b/public/marvinjs/examples/example-addtemplate.html @@ -0,0 +1,58 @@ + + + + + + Marvin JS Example - Add custom template button to the toolbar + + + + + + + + + +

Marvin JS Example - Add custom template button to the toolbar

+ +
+
+ +
+
+
+

Append a custom template button to the toolbar at startup:

+ 
$(document).ready(function handleDocumentReady (e) {
+	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+		var templateAttributes = {
+						'structure':"<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<cml xmlns=\"http://www.chemaxon.com\" xmlns:xsi=\"http://www.w3.org/2001/XMLSchema-instance\" xsi:schemaLocation=\"http://www.chemaxon.com/marvin/help/formats/schema/mrvSchema_6_1_0.xsd\" version=\"ChemAxon file format v6.1, generated by v6.1.0\">\n<MDocument>\n  <MChemicalStruct>\n    <molecule molID=\"m1\">\n      <atomArray atomID=\"a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12\" elementType=\"C C N C C C O C C O C O\" x2=\"3.189999994039537 1.6499999940395358 0.8799999940395326 -0.6600000059604675 -1.4300000059604656 -2.970000005960466 -3.7400000059604674 -0.6600000059604636 -1.4300000059604623 -0.6600000059604607 0.8799999940395365 1.6499999940395358\" y2=\"-0.831839567470531 -0.8318395674705295 -2.165518689298567 -2.1655186892985645 -0.8318395674705278 -0.8318395674705257 -2.16551868929856 0.5018395543575072 1.8355186761855429 3.1691977980135775 0.501839554357506 1.8355186761855407\"/>\n      <bondArray>\n        <bond id=\"b1\" atomRefs2=\"a1 a2\" order=\"1\"/>\n        <bond id=\"b2\" atomRefs2=\"a2 a3\" order=\"2\"/>\n        <bond id=\"b3\" atomRefs2=\"a2 a11\" order=\"1\"/>\n        <bond id=\"b4\" atomRefs2=\"a3 a4\" order=\"1\"/>\n        <bond id=\"b5\" atomRefs2=\"a4 a5\" order=\"2\"/>\n        <bond id=\"b6\" atomRefs2=\"a5 a6\" order=\"1\"/>\n        <bond id=\"b7\" atomRefs2=\"a5 a8\" order=\"1\"/>\n        <bond id=\"b8\" atomRefs2=\"a6 a7\" order=\"1\"/>\n        <bond id=\"b9\" atomRefs2=\"a8 a9\" order=\"1\"/>\n        <bond id=\"b10\" atomRefs2=\"a8 a11\" order=\"2\"/>\n        <bond id=\"b11\" atomRefs2=\"a9 a10\" order=\"1\"/>\n        <bond id=\"b12\" atomRefs2=\"a11 a12\" order=\"1\"/>\n      </bondArray>\n    </molecule>\n  </MChemicalStruct>\n</MDocument>\n</cml>",
+						'name':"Vitamin B6",
+						'icon':"data:image/png;base64,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"
+				};
+		sketcherInstance.addTemplate(templateAttributes);
+	}, function () {
+		alert("Cannot retrieve sketcher instance from iframe");
+	});
+});
+
+
+ + + diff --git a/public/marvinjs/examples/example-copyasmrv.html b/public/marvinjs/examples/example-copyasmrv.html new file mode 100644 index 000000000..55b31d8ed --- /dev/null +++ b/public/marvinjs/examples/example-copyasmrv.html @@ -0,0 +1,95 @@ + + + + + Marvin JS Example - Copy As MRV + + + + + + + + + +

Marvin JS Example - Copy As MRV

+ +
+ +
+
    +
  • + MRV as copy format + +
    • +
    • +
+
+

This example demonstrates how to control what is placed to the clipboard at copy. + When MRV as copy format checkbox is checked, the structure is placed as MRV to the clipboard at copy. + When the checkbox is unchecked, the default copy format is MDL molfile. + To see the difference, draw something into the editor, select it and press CTR+C shortcut to copy the structure to the clipboard. + After that, click into the textbox and press CTRL+V to paste the clipboard content into the editor. + The format of the pasted content (MRV or MDL molfile) depend on the state of the above checkbox.

+

If you would like to clear the textbox content, press apply the Reset textbox button. + +

At startup, the copyasmrv parameter of Marvin JS editor is setup.

+ 
<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-toolbars="reporting" data-copyasmrv=true></iframe>
+

First of all, you need a reference for the editor. MarvinJSUtil.getEditor(String) provides a Promise object for you to get it + when the editor is ready.

+

After the editor is loaded, run the initcontrol() function to bind actions to the MRV as copy format checkbox and to + the Reset textbox button.

+ 
		var marvinSketcherInstance;
+
+		$(document).ready(function handleDocumentReady (e) {
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				initControl();
+			},function (error) {
+				alert("Cannot retrieve sketcher instance from iframe:"+error);
+			});
+		});
+

Changing of the checkbox value, trigger update settings of the editor. + In the change event handler, the target of the change event is the checkbox. If the checkbox is checked, setup copyasmrv property to true else false. + You can update settings of the editor with its setDisplaySettings(settings) function. At update, specify also the toolbars property + to preserve current toolbar layout.

+ 
		function initControl () {
+			$("#chbx-copyasmrv").on("change", function (e) {
+				var settings = {}
+				settings.copyasmrv = e.target.checked;
+				settings.toolbars = "reporting";
+				marvinSketcherInstance.setDisplaySettings(settings);
+			});
+			$("#btn-reset").on("click", function (e) {
+				$("#txt").val("");
+			});
+		}
+
+ + + diff --git a/public/marvinjs/examples/example-couple-editors.html b/public/marvinjs/examples/example-couple-editors.html new file mode 100644 index 000000000..df1d88cb6 --- /dev/null +++ b/public/marvinjs/examples/example-couple-editors.html @@ -0,0 +1,232 @@ + + + + + Marvin JS Example - Couple of Editors + + + + + + + + + +

Marvin JS Example - Couple of Editors

+ +

This example demonstrates that you can embed several editors into the same page without any conflict.

+ + +
+
    +
    • +
    • +
    • +
+
+ +
+
+ +
+
    +
    • +
    • +
    • +
+
+ +
+
+
+ Identify each IFRAME to be able to distinguish the sketcher instances. + 
+		<iframe src="../editor.html" id="box1_sketch" class="sketcher-frame"></iframe>
+
+ 
+		<iframe src="../editor.html" id="box2_sketch" class="sketcher-frame"></iframe>
+
+ Create SketchControlClass for each sketcher object. Bind controller to the sketcher when it is ready. The controller also manages checkboxes for display settings. + 
+		
+		var sk1Controller,
+			sk2Controller;
+
+		$(document).ready(function handleDocumentReady (e) {
+
+			MarvinJSUtil.getEditor("#box1_sketch").then(function (sketcherInstance) {
+				sk1Controller = new SketcherControllerClass(
+					sketcherInstance,
+					$("#box1_chbx-carbonVis"),
+					$("#box1_chbx-coloring"),
+					$("#box1_btn-setmol")
+				);
+			}, function () {
+				alert("Failed to retrieve sketcher in box 1");
+			});;
+
+			MarvinJSUtil.getEditor("#box2_sketch").then(function (sketcherInstance) {
+				sk2Controller = new SketcherControllerClass(
+					sketcherInstance,
+					$("#box2_chbx-carbonVis"),
+					$("#box2_chbx-coloring"),
+					$("#box2_btn-setmol")
+				);
+			}, function () {
+				alert("Failed to retrieve sketcher in box 2");
+			});
+
+		});
+
+		var SketcherControllerClass = (function () {
+
+			function SketcherControllerClass (sketcherInstance, carbonCheckbox, cpkCheckbox, importButton) {
+				this.sketcherInstance 	= sketcherInstance;
+				this.carbonCheckbox 	= carbonCheckbox;
+				this.cpkCheckbox 		= cpkCheckbox;
+				this.importButton 		= importButton;
+
+				this.init();
+			}
+
+			SketcherControllerClass.prototype.init = function init () {
+				this.carbonCheckbox.on("change", $.proxy(this.handleCarbonCheckBoxChange, this));
+				this.cpkCheckbox.on("change", $.proxy(this.handleCpkCheckBoxChange, this));
+				this.importButton.on("click", $.proxy(this.handleImportButtonClick, this));
+			};
+
+			SketcherControllerClass.prototype.handleCarbonCheckBoxChange = function handleCarbonCheckBoxChange (e) {
+				this.updateDisplaySettings("carbonLabelVisible", this.carbonCheckbox.is(':checked'));
+			};
+
+			SketcherControllerClass.prototype.handleCpkCheckBoxChange = function handleCpkCheckBoxChange (e) {
+				this.updateDisplaySettings("cpkColoring", this.cpkCheckbox.is(':checked'));
+			};
+
+			SketcherControllerClass.prototype.handleImportButtonClick = function handleImportButtonClick (e) {
+				this.sketcherInstance.importStructure("mol", caffeineStr);
+			};
+
+			SketcherControllerClass.prototype.updateDisplaySettings = function updateDisplaySettings (key, value) {
+				var settings = this.sketcherInstance.getDisplaySettings();
+				settings[key] = value;
+				this.sketcherInstance.setDisplaySettings(settings);
+			};
+
+			return SketcherControllerClass;
+
+		}());		
+		
+
+
+ + + diff --git a/public/marvinjs/examples/example-create-abbreviation.html b/public/marvinjs/examples/example-create-abbreviation.html new file mode 100644 index 000000000..a904c0d35 --- /dev/null +++ b/public/marvinjs/examples/example-create-abbreviation.html @@ -0,0 +1,106 @@ + + + + + Create Abbreviation list for Marvin JS + + + + + + + + +

Create Abbreviation list for Marvin JS

+ +

You can generate abbreviation group list for Marvin JS with the help of the following form. Just fill the form and push the Add button. +

By repeating these steps, you can append further and further abbreviation group to the templates object.

+

Finally, you can copy the textual result (from the textbox) in a file that you can refer later in Marvin JS.

+ + +

Input

+

In the Structure field, an MRV source is expected that contains only one compound, an abbreviated S-group.

+

The Name field specifies the label of the menu item in the Abbreviated group dialog. If you do not specify it, its value will be the name of the abbreviation (specified in the MRV file).

+
+
    • +
    • +
    • +
    • +
  • + + + +
    • +
    +

    Result

    +
    +
    • +
    + + + + + \ No newline at end of file diff --git a/public/marvinjs/examples/example-create-image.html b/public/marvinjs/examples/example-create-image.html new file mode 100644 index 000000000..977983528 --- /dev/null +++ b/public/marvinjs/examples/example-create-image.html @@ -0,0 +1,307 @@ + + + + + Marvin JS Examples - Convert Structure To Image + + + + + + + + + + + +

    Marvin JS Examples - Convert Structure To Image

    + +

    In this example, you can create PNG, JPEG or SVG picture from the given molecule source.

    + +
    +
  • Carbon labels
    • +
  • CPK coloring
    • +
  • Show Stereo Info
    • +
  • Show chiral flag
    • +
  • Show atom maps
    • +
  • Show Lone Pairs + +
    • +
  • Atom Indeces
    • +
  • Implicit Hydrogens + +
    • +
  • Display Mode + +
    • +
  • Zoom Mode + +
    • +
  • Width:
    • +
  • Height:
    • +
  • Background Color:
    • +
    + + + +
    +
    +
    +
    + AUTO + mol + mrv + smiles + smarts +
    + +
    + +
    +

    Create a DIV element where the generated images will be embedded. It is hidden till the image is inserted. + 

    <div id="imageContainer" class="left10" style="display: none;">
+  <img id="image" class="bordered" />
+</div>

    +

    The following dependencies are used in this example: +

      +
    • jquery-1.9.1.min.js - The example is written in JQuery but the ImageExporter API does not require it.
      • +
    • promise-1.0.0.min.js - Promise overlay (required if the current browser does not provide a Promise implementation).
      • +
    • marvinjslauncher.js - The MarvinJSUtil is a helper API to get the marvin object from the iframe.
      • +
    • webservices.js - Defines the getDefaultServices function that provides the settings of the expected services.
      • +

    + 
    	<script src="../js/lib/jquery-1.9.1.min.js"></script>
+	<script src="../gui/lib/promise-1.0.0.min.js"></script>
+	<script src="../js/marvinjslauncher.js"></script>	
+	<script src="../js/webservices.js"></script>
    +

    You need the marvin.ImageExporter class to convert structure to image. Loads this API into a separate iframe to avoid potential css conflicts.

    + Use the marvinpack.html that loads the marvin namespace. + + 
    		$(document).ready(function handleDocumentReady (e) {
+			// load marvin namespace in a separate frame to avoid css conflict
+			// the display attribute of this iframe cannot be "none", but you can hide it somewhere
+			$('body').append($('<iframe>', { id: "marvinjs-iframe", src: "../marvinpack.html"}));
+			// wait for the reference of marvin namespace from the iframe
+			MarvinJSUtil.getPackage("#marvinjs-iframe").then(function(marvinNameSpace) {
+				// the reference to the namespace is arrived but there is no guaranty that its initalization has been finished
+				// because of it, wait till the ready state to be sure the whole API is available
+				marvinNameSpace.onReady(function() {
+					marvin = marvinNameSpace;
+					initControl();
+				});	
+			}, function(error) {
+				alert("Cannot retrieve marvin instance from iframe:"+error);
+			});
+		});
+

    +

    To hide the iframe, the following CSS settings are used:

    + 
    	iframe#marvinjs-iframe {
+		width: 0;
+		height: 0;
+		display: initial;
+		position: absolute;
+		left: -1000;
+		top: -1000;
+		margin: 0;
+		padding: 0;
+	}
    +

    The initcontrol function bind click handler for the buttons.

    + 
    		function initControl() {
+			$("#molsource-box").val(source);
+			$("#createPNG").on("click", function() {
+				createImage("image/png", applyDataUri);
+			});
+			$("#createJPEG").on("click", function() {
+				createImage("image/jpeg", applyDataUri);
+			});
+			$("#createSVG").on("click", function() {
+				createImage("image/svg", applySvg);
+			});
+		}
    +

    The createImage function creates a new instance of ImageExporter class and call its render function to convert the given string to image. + It is an asynchrone exporter, the render function returns with a Promise instance. The given callback function processes the result of the image export. It is automatically evaluated when the export process is completed.

    + 
    		function createImage(imageType, callback) {
+			var exporter = createExporter(imageType);
+			exporter.render($("#molsource-box").val()).then(callback, alert);
+		}
    +

    The createExporter function retrieves the current settings to create a new ImageExporter object with these settings.

    + 
    		function createExporter(imageType) {
+			var settings = {
+				'carbonLabelVisible' : $("#chbx-carbonVis").is(':checked'),
+				'cpkColoring' : $("#chbx-coloring").is(':checked'),
+				'chiralFlagVisible': $("#chbx-chiral").is(':checked'),
+				'atomMapsVisible': $("#chbx-atommaps").is(':checked'),
+				'lonePairsVisible' : $("#lonepairs").val() != '0',
+				'lonepaircalculationenabled' : $("#lonepairs").val() == '2',
+				'atomIndicesVisible': $("#chbx-atomIndeces").is(':checked'),
+				'implicitHydrogen' : $("#implicittype").val(),
+				'displayMode' : $("#displayMode").val(),
+				'background-color': $('#bg').val(),
+				'zoomMode' : $("#zoommode").val(),
+				'width' : parseInt($("#w").val(), 10),
+				'height' : parseInt($("#h").val(), 10)
+			};
+
+			var inputFormat = $("input[type='radio'][name='inputFormat']:checked").val();
+			if(inputFormat == "") {
+				inputFormat = null;
+			}
+			var defaultServices = getDefaultServices();
+			var services = {};
+			services['molconvertws'] = defaultServices['molconvertws'];
+			if($('#chbx-calcStereo').is(":checked")) {
+				services['stereoinfows'] = defaultServices['stereoinfows']; // enable stereo calculation
+			}
+			var params = {
+					'imageType': imageType, // type of output image
+					'settings': settings, // display settings
+					'inputFormat': inputFormat, // renderer will expect molecule source in this format
+					'services': services // to resolve any molecule format and be able to calculate stereo info
+			}
+			return new marvin.ImageExporter(params);
+		}
    +

    At PNG and JPEG image generation, ImageExporter generates a base64 based data URI. To display it, create a new img tag and set the result string to its src attribute.

    + 
    		function applyDataUri(dataUri) {
+			$('#imageContainer').empty();
+			var img = $('', { src: dataUri}).appendTo($("#imageContainer"));
+			$("#imageContainer").css("display", "inline-block");
+		}
    +

    At SVG export, ImageExporter generates a serialized SVG tag that includes a scalable vector graphics. To display it, insert the result as raw data into an empty DOM element.

    + 
    		function applySvg(svg) {
+			$("#imageContainer").html(svg);
+			$("#imageContainer").css("display", "inline-block");
+		}
    +
    + + + diff --git a/public/marvinjs/examples/example-create-template.html b/public/marvinjs/examples/example-create-template.html new file mode 100644 index 000000000..145e6a067 --- /dev/null +++ b/public/marvinjs/examples/example-create-template.html @@ -0,0 +1,159 @@ + + + + + Create Templates for Marvin JS + + + + + + + + +

    Create Templates for Marvin JS

    + +

    You can generate templates for Marvin JS with the help of the following form. Just fill the form and push the Add button. + The template source appears in the Result text box, and the generated (24x24 )icon displays above it.

    +

    By repeating these steps, you can append further and further template to the templates object.

    +

    Finally, you can copy the textual result (from the textbox) in a file that you can refer later in Marvin JS.

    + + +

    Input

    +
    +
    • +
    • +
    • +
    • +
    • +
    • +
    • +
    • +
  • + + + +
    • +
    +

    Result

    +
    +
    • +
    • +
    + + + + + \ No newline at end of file diff --git a/public/marvinjs/examples/example-customize-service.html b/public/marvinjs/examples/example-customize-service.html new file mode 100644 index 000000000..c6f568a56 --- /dev/null +++ b/public/marvinjs/examples/example-customize-service.html @@ -0,0 +1,113 @@ + + + + + Marvin JS Example to customize service + + + + + + + + + + +

    Marvin JS Example to customize service

    + +

    The Clean2D webservice is not available at startup (its icon is missing from the toolbar). You have an input form where you can specify the location of the Clean2D + webservice. As you apply the form, it disappears and the Clean2D service is registered to the sketcher with the given URL. After that, the Clean icon appears + on the toolbar and you can perform clean operation on the drawn structure.

    + +

    Clean operation can fail in the following cases: +

      +
    • Wrong URL
      • +
    • The server where the URL points is not available.
      • +
    • The webservice is located on different domain than the editor (browser can block the request via the webservice if it harms its same origin policy).
      • +
    • The webservice is not compatible with the current JChem Webservice version that Marvin JS expects (e.g.: unexpected input or output data).
      • +
    +

    +
    + Clean2D Webservice location:
    + + + +
    +
    + +
    + +
    +

    Initialize the input form at startup. When the Apply Service button is submitted, the setServices function of the sketcher + is called to apply the given service to the editor. The function expects a JavaScript object that describes one or more webservices. + Finally, hide the input form to prevent applying further services.

    + 
    +			$(document).ready(function handleDocumentReady (e) {
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				resetForm();
+				initControls();
+			}, function () {
+				alert("Cannot retrieve sketcher instance from iframe");
+			});
+		});
+
+		function initControls () {
+			$("#restoreButton").on("click", resetForm);
+			$("#applyButton").on("click", function (e) {
+				submitService($("#clean2dws-location").val());
+
+			});
+		}
+
+		function resetForm() {
+			$("#clean2dws-location").val(getDefaultServices()["clean2dws"]);
+		}
+
+		function submitService(url) {
+			var services = {
+				"clean2dws" : (url == "") ? null : url
+			};
+			marvinSketcherInstance.setServices(services);
+			$("#serviceForm").hide();
+		}
+			
+
    +
    + + + diff --git a/public/marvinjs/examples/example-defaulttool.html b/public/marvinjs/examples/example-defaulttool.html new file mode 100644 index 000000000..b8672677d --- /dev/null +++ b/public/marvinjs/examples/example-defaulttool.html @@ -0,0 +1,100 @@ + + + + + Marvin JS Example - Change the default tool + + + + + + + + + +

    Marvin JS Example - Change default tool

    + +
    +
    + Rectangle + Lasso +
    +
    + +
    +
    +
    +

    In this example, you can change the default tool of the editor. + Select the default tool. Default tool is not the same as the actual tool of the editor. By contrast the actual tool, default tool has relevance in such situations when it is not clear which tool should be activated. In these cases you can denote a tool which should be selected as the default one. For example after pushing the Esc keyboard button.

    + 

    
+	<div style="padding-bottom: 0.8em;">
+		<input type="radio" name="defaulttool-group" value="rectangleSelection" checked>Rectangle</input>
+		<input type="radio" name="defaulttool-group" value="lassoSelection">Lasso</input>
+	</div>
+

    + +

    When you take a look at the source code, you can see that a listener function is bound to the change events of radio buttons. + When a change event is invoked, the updateDefaultTool(value) function is performed. + This function assembles a JavaScript object that describes display settings and call the setDisplaySettings(settings) function of the sketcher. + Only give settings that you would like to overwrite. In this case, this is the defaultTool property.

    + + 

    
+		var marvinSketcherInstance;
+
+		$(document).ready(function handleDocumentReady (e) {
+			// after editor in the sketch iframe is ready store its reference 
+			// and activate controls
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				initControls();
+			},function (error) {
+				alert("Cannot retrieve sketcher instance from iframe:"+error);
+			});
+		});
+
+		function initControls () {
+			// change layout
+			$("input[name='defaulttool-group']").change(function(e) {
+				var s = $(this).val();
+				updateDefaultTool(s);
+			});
+		}
+
+		function updateDefaultTool(tool) {
+			marvinSketcherInstance.setDisplaySettings({
+				"defaultTool": tool
+			});
+		}

    +
    + + + diff --git a/public/marvinjs/examples/example-edit-images.html b/public/marvinjs/examples/example-edit-images.html new file mode 100644 index 000000000..1f82fa77e --- /dev/null +++ b/public/marvinjs/examples/example-edit-images.html @@ -0,0 +1,249 @@ + + + + + + Marvin JS Examples - Edit images + + + + + + + + + + + + + + +

    Marvin JS Examples - Edit images

    + +

    A molecule table should be displayed as the loading of the page is finished. See below the commented code

    + + +
    +

    Preparation of the page is in progress ...

    +
    + + +
    + +

    There is a DIV where generated images will appear. +

    <div id="imageContainer" class="image-container">
+<p>Preparation of the page is in progress ...</p>
+</div>

    + +

    We need a hidden DIV with the highest z-index. It is the popup window with a close button and with the editor iframe. This popup window appears when a picture is edited. +

    <div id="popup" class="popup-window" style="position: fixed; left:0px; top:0px; z-index:100; visibility: hidden; opacity: 0;">
+	<div class="wrapper">
+		<div id="title-bar"><input id="close" type="button" class="close-button" value="Done ×"></div>
+		<div id="sketchContainer">
+			<iframe id="sketchImg" src="../editor.html" ></iframe>
+		</div>
+	</div>
+</div>

    +

    You will need the following JS libraries for this example. They are bundled to the header of the example page. +The first one is a promise implementation, the second loads MarvinJSUtil. +

      <script src="../gui/lib/promise-1.0.0.min.js"></script>
+  <script src="../js/marvinjslauncher.js"></script>

    +

    These global variables are also defined in this example: +

      +
    • marvin - reference to the Marvin JS API
      • +
    • marvinSketcherInstance - reference to the editor in the iframe
      • +
    • editorControl - controller to open / close the editor and modify images
      • +
    • molecules - molecule sources
      • +

    +

    Below you can see the code that is embedded into the $(document).ready(function handleDocumentReady (e) { ... }); block.

    +

    To hide the editor when the close button is submit, bind an event handler to the close button. +

    		$("#close").bind("click", function() {
+			editorControl.close();
+		});
+

    +

    For the image export, marvin object is required that encapsulates the whole Marvin JS API into a common namespace.
    +Since you have an editor in an iframe where marvin is already available, you can use this instance.
    +The MarvinJSUtil.getPackage(String) helps to receive its reference. +When marvin is ready, the exportImages() function creates initial molecule images. +

    		MarvinJSUtil.getPackage("sketchImg").then(function (marvinNameSpace) {
+			marvinNameSpace.onReady(function () {
+				marvin = marvinNameSpace;
+				exportImages();
+			});
+		}, function () {
+			alert("Cannot retrieve marvin instance from iframe");
+		});
+

    +

    Meanwhile, you can get the reference to the editor with the help of MarvinJSUtil.getEditor(String). +When you received it, save it for later usage and attempt to open the editor with the selected image. +

    		MarvinJSUtil.getEditor("sketchImg").then(function (sketcherInstance) {
+			marvinSketcherInstance = sketcherInstance;
+			// open editor if any image is selected
+			editorControl.open();
+	  	}, function () {
+			alert("Cannot retrieve sketcher instance from iframe");
+		});

    + +

    Thus, that has happened in the document.ready block. +

    As above mentioned, exportImages() function creates inital molecule images and insert them into the proper DIV element on the page. +This function creates a new image tag for each molecule. +The marvin.ImageExporter.mrvToDataUrl(String) function creates a image data URI from an MRV source. +The MRV source is also inserted into the new image tag as the alt attribute. +

    	function exportImages() {
+		var docFrag = document.createDocumentFragment();
+		for(i=0; i<molecules.length;i++) {
+		  var imgData = marvin.ImageExporter.mrvToDataUrl(molecules[i]);
+		  if(imgData != null) {
+			var dv = $('<div>', { class: "mol-cell" });
+			$('<span>', { text: ("Compound #" + (i+1))}).appendTo(dv);
+			$('<img>', { name: "pict", src: imgData, alt: escape(molecules[i]), onclick:"clickOnImage(this)"}).appendTo(dv);
+			dv.appendTo(docFrag);
+		  }
+	  	}
+		$('<div>', { class: "table-bottom" }).appendTo(docFrag);
+	  	$("#imageContainer").append(docFrag);
+	}

    + +

    The editorControl is responsible to show the editor with the proper structure or hide it and refresh its image. +The currentPict is a reference to the <img> from the DOM that you would like to edit.
    +If it is null, it means that no image has been selected yet to edit. +The molecule source for an image is stored in its alt attribute.

    +
    	var editorControl = (function() {
+		
+		var currentPict = null;
+		
+		var controlObject = {
+			"picture" : function picture(pict) {
+				currentPict = pict;
+			}
+			,"open" : function openEditor() {
+				if(currentPict != null) {
+					marvinSketcherInstance.importStructure("mrv", unescape(currentPict.alt));
+					$("#popup").css("visibility", "visible");
+					$("#popup").css("opacity", 1);
+				}
+			}
+			,"close" : function closeEditor() {
+				if(marvinSketcherInstance != null) {
+					var cp = currentPict;
+					marvinSketcherInstance.exportStructure("mrv").then(function(s) {
+						cp.alt = escape(s);
+						cp.src = marvin.ImageExporter.mrvToDataUrl(s);	
+					}, function(error) {
+						alert(error);
+					});
+				}
+				$("#popup").css("visibility", "hidden");
+				$("#popup").css("opacity", 0);
+			}
+		};
+		return controlObject;
+	}());
+
    +

    When a click event is invoked on an <img> tag, the clickOnImage function is performed. +It passes the reference of the current image to the editorControl +and ask it to open the editor.

    +
    +
    	function clickOnImage(pict) {
+		editorControl.picture(pict);
+		editorControl.open();
+	}
    + + + + diff --git a/public/marvinjs/examples/example-get-selection.html b/public/marvinjs/examples/example-get-selection.html new file mode 100644 index 000000000..4d1278ca9 --- /dev/null +++ b/public/marvinjs/examples/example-get-selection.html @@ -0,0 +1,155 @@ + + + + + Marvin JS Examples - Get Selection + + + + + + + + + +

    Marvin JS Examples - Get Selection

    + +
    +
    + +
    +

    +

    +
    +

    This example demonstrates how to inject selection information into the generated MRV source.

    +

    When Get Selection button is pushed, the getSelection function is called that retrieves the canvas content in MRV format. Since exportStructure is an asynchronous request, we get index of selected atoms when the MRV source received.

    +

    After that, inject selection information into the MRV source with the help of mrvWithSelection function. + Its result displays in the below text box

    + 
    	$(document).ready(function handleDocumentReady (e) {
+		MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+			// initalize sketcher
+			sketcherInstance.importStructure("mol",caffeineSource);
+			sketcherInstance.setDisplaySettings({
+				'carbonLabelVisible' : true,
+				'atomIndicesVisible' : true
+			});
+
+			getSelection = function () {
+				sketcherInstance.exportStructure("mrv").then(function(source) {
+					var selection = sketcherInstance.getSelection();
+					$("#molsource").val(mrvWithSelection(source, selection));
+				}, function(error) {
+					alert("Cannot retrieve the molecule source");
+				});	
+			};
+			
+			$("#getSelectionButton").on("click", getSelection);
+
+
+		}, function () {
+			alert("Cannot retrieve sketcher instance from iframe");
+		});
+	});
    + +

    The mrvWithSelection function checks whether selection is empty. + If yes, it does nothing just returns with the original MRV source. + + If the selection contains one or more atom indeces, it builds up a DOM object from the MRV source and iterates over the list of indeces to find the appropriate atom tags. Append the "isSelect" attribute to each atom tag that matched. + Finally, it serializes the above DOM object and returns with the generated string

    + 
    	function mrvWithSelection(mrv, selection) {
+		var parser = new DOMParser();
+		if(selection && selection.atoms) {
+			var xml = parser.parseFromString(mrv, "text/xml");
+			var atoms = xml.getElementsByTagName('atom');
+			var selectedAtoms = selection.atoms.split(",");
+			for(var i = 0; i < selectedAtoms.length; i++) {
+				var index = selectedAtoms[i]-1;
+				if(atoms[index]) {
+					atoms[index].setAttribute("isSelected", true);
+				}
+			}
+			return new XMLSerializer().serializeToString(xml);
+		}
+		return mrv;
+	}
    + + + diff --git a/public/marvinjs/examples/example-getimage.html b/public/marvinjs/examples/example-getimage.html new file mode 100644 index 000000000..2577ca6b4 --- /dev/null +++ b/public/marvinjs/examples/example-getimage.html @@ -0,0 +1,112 @@ + + + + + Marvin JS Example - Get The Image + + + + + + + + + +

    Marvin JS Example - Get The Image

    + + +
    + +
    +
      +
      • +
    • + +
      • +
    +
    +

    This example demonstrates how to retrieve the molecule image from the sketcher. When you push the Export + button, the current molecule is exported as a JPEG image. The result is shown next to the editor.

    +

    First of all, you need a reference for the current editor. + MarvinJSUtil.getEditor(String) provides a Promise object for you to get it when the editor is ready.

    +

    After the editor is loaded, run the initcontrol() function to bind action the the Export button.

    +

    When the button is clicked, the exportImage(String) function of the editor is called. It provides a Promise object to access the result + of the export process. Call its then(...) function with the callback function that describes what you would like to do with the export result. + In this case, the src attribute of the <img> tag is updated with the image source.

    + 
    		var marvinSketcherInstance;
+		
+		$(document).ready(function handleDocumentReady (e) {
+			// get the reference to the Marvin JS editor
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				initControl();
+			},function (error) {
+				alert("Cannot retrieve sketcher instance from iframe:"+error);
+			});
+		});
+
+		function initControl () {
+
+			// the export button
+			$("#btn-export").on("click", function (e) {
+				var settings = marvinSketcherInstance.getDisplaySettings(); 
+				settings.width = 420;
+				settings.height = 420;
+				settings.backgroundColor = "#ffffff";
+				marvinSketcherInstance.exportStructure("jpeg", settings).then(function(source) {
+					exportImage(source);
+				}, function(error) {
+					alert("Image export failed:"+error);	
+				});
+			});
+		}
+
+		function exportImage(dataUrl) {
+			// set image source for the existing hidden image tag and display it.
+			$("#image").attr("src", dataUrl);
+			$("#imageContainer").css("display", "inline-block");
+		}
+
+
    +
    + + + diff --git a/public/marvinjs/examples/example-getmol-with-ws.html b/public/marvinjs/examples/example-getmol-with-ws.html new file mode 100644 index 000000000..0a47f8a3c --- /dev/null +++ b/public/marvinjs/examples/example-getmol-with-ws.html @@ -0,0 +1,106 @@ + + + + + Marvin JS Example - Get The Molecule via webservices + + + + + + + + + + +

    Marvin JS Example - Get The Molecule

    + + +
    + +
    +
      +
      • +
    • Enable molconvertws
      • +
      • +
    +
    +

    This example demonstrates how to retrieve a structure from Marvin JS editor, using extra export options.

    + +

    JChem Webservices (the web service implementation provided by ChemAxon) can accept special + export options . The exportStructure() API function of Marvin JS gives the chance to specify export parameters for the molExport service.

    +

    In this example, +H export option (adding explicit Hydrogens to the structure) is passed to the molExport service. If the extra option has been specified, the exportStructure passes the request directly to the remote service instead of evaluating it on client side. + If the location of the service has not been specified, an error message is thrown.

    +

    Please, take care that Marvin JS does not check whether the extra export options passed to WS are valid or not.

    + +

    When the Get mol button is pressed, the current molecule is retrieved from the editor in mol format and the result is displayed in the textbox.

    +

    By unchecking the webservice checkbox, you can switch off the molExport web service. After this, pressing the Get mol button results in an error message, saying: "Unsupported format mol:+H".

    + 
    var marvinSketcherInstance;
+
+$(document).ready(function handleDocumentReady (e) {
+	var p = MarvinJSUtil.getEditor("#sketch");
+	p.then(function (sketcherInstance) {
+		marvinSketcherInstance = sketcherInstance;
+		initControl();
+	}, function (error) {
+		alert("Cannot retrieve sketcher instance from iframe:"+error);
+	});
+});
+
+function initControl () {
+
+	// get mol button
+	$("#btn-getmol").on("click", function (e) {
+		marvinSketcherInstance.exportStructure("mol", {"extra": "+H"}).then(function(source) {
+			$("#molsource").text(source);
+		}, function(error) {
+			alert("Molecule export failed:"+error);	
+		});
+	});
+	var molconvertws_value = getDefaultServices()["molconvertws"]
+	$("#btn-service").change(function(e) {
+		var services = {
+			"molconvertws" : (e.target['checked']) ? molconvertws_value : null
+		};
+		marvinSketcherInstance.setServices(services);
+	});
+}
+
+
+
    +
    + + + diff --git a/public/marvinjs/examples/example-getmol.html b/public/marvinjs/examples/example-getmol.html new file mode 100644 index 000000000..4295cca99 --- /dev/null +++ b/public/marvinjs/examples/example-getmol.html @@ -0,0 +1,88 @@ + + + + + Marvin JS Example - Get The Molecule + + + + + + + + + +

    Marvin JS Example - Get The Molecule

    + + +
    + +
    +
      +
      • +
      • +
    +
    +

    This example demonstrates how to retrieve the molecule from the sketcher. When you push the Get mol + button, the current molecule is retrieved from the editor in MRV format and the result is displayed in the textbox.

    +

    First of all, you need a reference for the editor. MarvinJSUtil.getEditor(String) provides a Promise object for you to get it + when the editor is ready.

    +

    After the editor is loaded, run the initcontrol() function to bind action the the Get mol button.

    +

    When the button is clicked, the exportStructure(String) function of the editor is called. Its provides a Promise object to access the result + of the export process. Call its then(...) function with the callback function that describes what you would like to do with the export result. + In this case, it is displayed in the molsource textbox.

    + 
    var marvinSketcherInstance;
+
+$(document).ready(function handleDocumentReady (e) {
+	var p = MarvinJSUtil.getEditor("#sketch");
+	p.then(function (sketcherInstance) {
+		marvinSketcherInstance = sketcherInstance;
+		initControl();
+	}, function (error) {
+		alert("Cannot retrieve sketcher instance from iframe:"+error);
+	});
+});
+
+function initControl () {
+
+	// get mol button
+	$("#btn-getmol").on("click", function (e) {
+		marvinSketcherInstance.exportStructure("mrv").then(function(source) {
+			$("#molsource").text(source);
+		}, function(error) {
+			alert("Molecule export failed:"+error);	
+		});
+	});
+}
+
+
+
    +
    + + + diff --git a/public/marvinjs/examples/example-highlight-by-index.html b/public/marvinjs/examples/example-highlight-by-index.html new file mode 100644 index 000000000..44a3d4f8a --- /dev/null +++ b/public/marvinjs/examples/example-highlight-by-index.html @@ -0,0 +1,132 @@ + + + + + Marvin JS Examples - Highlight By Index + + + + + + + + + +

    Marvin JS Examples - Highlight By Index

    + +
    + +
    +
    + Color: + Opacity (0-100%): + Size (40-200%): + + +
    +

    This example demonstrates how to paint a custom patch for atom and bonds.

    +

    How to try it:

    +

    Draw a structure and select those atoms and bonds that you would like to highlight with colored patch.

    +

    After that, specify the style: select color, setup opacity value between 0.0 and 1.0 + (0 is full transparent, 1 is total opaque). + Then, set the relative size of the patch (relative to the selection feedback). + Finally, apply settings. If you push the Overwrite highlight button, the previously set patches will be deleted. + If you choose Append highlight, the current patches are preserved and new settings are appended to them. +

    Notes: +

      +
    • If several styles are applied to the editor, the patches may overlaps each other.
      • +
    • Reaction converter is switched off to avoid atom index collision (among reaction compounds).
      • +
    +

    + +

    You can see the code comment below.

    +

    First of all, we request a reference to the loaded editor. + Then, we bind click handler for the submit buttons. + We will need an array (highlights)where we cache applied styles. + 

    	var marvinSketcherInstance;
+	var highlights = [];
+
+	$(document).ready(function handleDocumentReady (e) {
+		MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+			// initalize sketcher
+			marvinSketcherInstance = sketcherInstance;
+			$('#overwriteButton').click(onButtonClick);
+			$('#appendButton').click(onButtonClick);
+		});
+	});
    + +

    The onButtonClick function, determines the current behaviour: append or overwrite the current style with the new one. + After that, we retrieve the selection from the editor to apply the new style to the desired atoms/bonds. + In the selection, the atoms and bonds are referred by atom indexes.

    +

    If we choose overwrite option, we reset the previously stored highlight history (highlights).

    +

    The createHighlight function is responsible to create the new highlight style from the given data. + The new highlight object is added to the highlights array. + This array is applied to the setHighlight function of the editor.

    + 
    	function onButtonClick(e) {
+		var b = (e.target.id =='overwriteButton');
+		var selection = marvinSketcherInstance.getSelection();
+		if(b) {
+			highlights = [];
+		}
+		highlights.push(createHighlight(selection));
+		marvinSketcherInstance.setHighlight(highlights);
+	}
    +

    The createHighlight function expects the selection object. + The highlight object has an indexes property. It is an object with an atom and a bond list. + The atom index list of selection object is a string that represents a comma separated list of indexes. Convert it to string array before assign it to the highlight.indexes. + Do the same with the bond index list. +

    After that, you can create highlight.style object. Retrieve the value of the color input field. + Convert value of the opacity field into the 0 - 1 range. Do the same with the size value.

    +

    The created highlight objects defines atoms and bonds by UID and specify style with color, opacity and size properties.

    + 
    	function createHighlight(selection) {
+		var highlight = {};
+		highlight.indexes = {}
+		highlight.indexes.atoms = (selection.atoms.length == 0)? [] : selection.atoms.split(',');
+		highlight.indexes.bonds = (selection.bonds.length == 0)? [] : selection.bonds.split(','); 
+		highlight.style = {}
+		highlight.style.color = $('#colorValue').val();
+		var opacity = $('#opacityValue').val()/100;
+		highlight.style.opacity = opacity;
+		var size = $('#sizeValue').val()/100;
+		highlight.style.size = size;
+		return highlight;
+	}
    + + + diff --git a/public/marvinjs/examples/example-highlight.html b/public/marvinjs/examples/example-highlight.html new file mode 100644 index 000000000..82189b6f6 --- /dev/null +++ b/public/marvinjs/examples/example-highlight.html @@ -0,0 +1,209 @@ + + + + + Marvin JS Examples - Highlight By Unique ID + + + + + + + + + +

    Marvin JS Examples - Highlight By Unique ID

    + +
    + +
    +
    + Color: + Opacity (0-100%): + Size (40-200%): + + +
    +

    This example demonstrates how to paint a custom patch for atoms and bonds.

    +

    How to try it:

    +

    Draw a structure and select those atoms and bonds that you would like to highlight with colored patch.

    +

    After that, specify the style: select color, setup opacity value between 0.0 and 1.0 (0 is full transparent, 1 is total opaque). + Then, set the relative size of the patch (relative to the selection feedback). Finally, apply settings.

    +

    If you push Overwrite highlight button, the previously set patches will be deleted. + If you choose Append highlight, the current patches will be preserved and new settings will be appended to them.

    +

    Notes: +

      +
    • If several styles are applied to the editor, the patches may overlaps each other.
      • +
    • Reaction converter is switched off to avoid atom index collision (among reaction compounds).
      • +
    +

    + +

    You can see the code comment below.

    +

    First of all, we request a reference to the loaded editor. Then, we bind click handler for the submit buttons. + We will need an array (highlights)were we cache the applied styles and a DOM parser (parser) that helps us to seek data in MRV sources.

    + 
    	var marvinSketcherInstance;
+	var highlights = [];
+	var parser = new DOMParser();
+	
+	$(document).ready(function handleDocumentReady (e) {
+		MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+			// initalize sketcher
+			marvinSketcherInstance = sketcherInstance;
+			$('#overwriteButton').click(onButtonClick);
+			$('#appendButton').click(onButtonClick);
+		});
+	});
    + +

    The onButtonClick function, determines the current behavior: append or overwrite the current style with the new one. + After that, we retrieve the selection from the editor to apply the new style to the desired atoms/bonds. + In the selection, the atoms and bonds are referred by atom indexes.

    +

    To retrieve the unique ID (UID) of these atoms, we have to get the molecule source of the structure. + To do that, specify hasUID export option in exportStructure function.

    +

    When the molecule source arrived, we are ready to create the new highlight settings.

    +

    If we choose the overwrite option, we reset the previously stored highlight history (highlights).

    +

    The createHighlight function is responsible to create the new highlight style from the given data. + The new highlight object is added to the highlights array. + This array is applied to the setHighlight function of the editor.

    + 
    	function onButtonClick(e) {
+		var b = (e.target.id =='overwriteButton');
+		var selection = marvinSketcherInstance.getSelection();
+		marvinSketcherInstance.exportStructure('mrv', { hasUID: true}).then(function(source) {
+			if(b) {
+				highlights = [];
+			}
+			highlights.push(createHighlight(source, selection));
+			marvinSketcherInstance.setHighlight(highlights);
+		}, alert);
+	}
    +

    The createHighlight function expects two parameters: the molecule source and the selection object. + First of all, an xml object is created from the MRV source to be able to seek the UID properties. + Atom UID is stored in a child (scalar) tag of the atom tag. + The atoms field of the selection object gives index of selected atoms. + The ID of the scalar tag that describes the UID property of the n-th atom can describe in the following format: + a<index>.prop1 where <index> is the index of the atom. + Get it with the help of the getElementById function, and appends its value to the highlight.uids.atoms array.

    +

    You can get bond UID in a similar way. In this case, the ID of the scalar tag is in the following format: + a<index of begin atom>;a<index of end atom>.prop1. + The bond UIDs are collected into highlight.uids.bond array.

    +

    After that, you can create the highlight.style object. Retrieve the value of the color input field. + Convert value of the opacity field into the 0 - 1 range. Do the same with the size value.

    +

    The created highlight objects define atoms and bonds by UID and specify style with color, opacity and size properties.

    + 
    	function createHighlight(source, selection) {
+		var xml = parser.parseFromString(source, "text/xml");
+		var highlight = {};
+		highlight.uids = {};
+		highlight.uids.atoms = [];
+		highlight.uids.bonds = [];
+		var atoms = (selection.atoms.length == 0)? [] : selection.atoms.split(',');
+		var bonds = (selection.bonds.length == 0)? [] : selection.bonds.split(',');
+		for(i = 0; i < atoms.length; i++) {
+			var atom = selectById(xml, 'a'+atoms[i]+'.prop1'); 
+			if(atom) {
+				var uid = atom.textContent;
+				highlight.uids.atoms.push(uid);
+			} else {
+				console.log('Cannot find property#a'+atoms[i]+'.prop1');
+			}
+		}
+		for(i = 0; i < bonds.length; i++) {
+			var edges = bonds[i].split('-');
+			var bond = selectById(xml, 'a'+edges[0]+'a'+edges[1]+'.prop1');
+			if(bond) {
+				var buid = bond.textContent;
+				highlight.uids.bonds.push(buid);
+			} else {
+				console.log('Cannot find property#a'+edges[0]+'a'+edges[1]+'.prop1');
+			}
+		}
+		highlight.style = {}
+		highlight.style.color = $('#colorValue').val();
+		var opacity = $('#opacityValue').val()/100;
+		highlight.style.opacity = opacity;
+		var size = $('#sizeValue').val()/100;
+		highlight.style.size = size;
+		return highlight;
+	}
    + + + diff --git a/public/marvinjs/examples/example-lazyinit.html b/public/marvinjs/examples/example-lazyinit.html new file mode 100644 index 000000000..77079b499 --- /dev/null +++ b/public/marvinjs/examples/example-lazyinit.html @@ -0,0 +1,37 @@ + + + + + Marvin JS Example - Lazy init + + + + + + + +

    Marvin JS Example - Lazy init

    + +
    + +
    + + + diff --git a/public/marvinjs/examples/example-lonepair.html b/public/marvinjs/examples/example-lonepair.html new file mode 100644 index 000000000..06be60158 --- /dev/null +++ b/public/marvinjs/examples/example-lonepair.html @@ -0,0 +1,150 @@ + + + + + + Marvin JS Example - Set lone pairs manually + + + + + + + + + +

    Marvin JS Example - How to change the editor settings for adding lone pairs manually feature

    + +
    + EDUCATION MODE +
    +
    + +
    +
    +

    This example demonstrates all of the preparations which should be made before applying the manual lone pair usage. + When EDUCATION MODE is activated via its checkbox, the following settings will be applied: +

      +
    • automatic lone pair calculation is disabled, every atom gets 0 lone pairs immediately
      • +
    • 'Increase lone pairs' button is enabled on the toolbar, and becomes ready to use
      • +
    • on copy, any structure is placed in MRV format to the clipboard
      • +
    • implicit hydrogens are hidden
      • +
    • valence errors are hidden.
      • +
    • circled plus / minus sign at charge.
      • +
    + When the checkbox is inactivated, the DEFAULT settings will be applied: +
      +
    • automatic lone pair calculation is enabled, the lone pairs are recalculatedon every atom
      • +
    • 'Increase lone pairs' button is disabled on the toolbar
      • +
    • on copy, any structure is placed as MDL MOL file to the clipboard
      • +
    • implicit hydrogens are visible on terminal and hetero atoms
      • +
    • valence errors are visible.
      • +
    • normal plus / minus sign at charge.
      • +
    + To see the differences between the two settings, some structures are set to the editor. (This example will return to this initial state on page refresh.) + + + In this example, the reporting preset has been set, and the display of lone pairs has been turned on. Please, note that lone pairs are not visible by default in Marvin JS and 'Increase lone pairs' button is only available in the education and the reporting preset. + + +

    At startup, EDUCATION MODE is not set in Marvin JS.

    + 
    <iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-toolbars="reporting" ></iframe>
    +

    First of all, a reference is needed for the editor. MarvinJSUtil.getEditor(String) provides a Promise object to get it + when the editor is ready.

    +

    After the editor is loaded and an initial molecule is set, initcontrol() function binds actions to the EDUCATION MODE checkbox. Invoking initcontrol() function ensures that the initial state of the checkbox is consistent with the initial settings of the editor in this example.

    + 
    		
+		var marvinSketcherInstance;
+
+		var molecule = "\n\n\n"+
+		"  6  3  0  0  0  0  0  0  0  0999 V2000\n"+
+		"    0.0000   -0.0418    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    2.4274    0.0000    0.0000 Ne  0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    3.1419    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    1.7129    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    2.4274   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"   -1.7299   -0.0558    0.0000 Kr  0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"  2  3  1  0  0  0  0\n"+
+		"  2  4  1  0  0  0  0\n"+
+		"  2  5  1  0  0  0  0\n"+
+		"M  END\n";
+		
+		$(document).ready(function handleDocumentReady (e) {
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				marvinSketcherInstance.importStructure("mol",molecule);
+				initControl();
+				update($("#chbx-educationmode"));
+			},function (error) {
+				alert("Cannot retrieve sketcher instance from iframe:"+error);
+			});
+		});
    +

    Changing the checkbox value triggers the update of the editor settings. + In the change event handler, the target of the change event is the checkbox. If the checkbox is checked, the new settings are applied to the editor. + Settings of the editor can be updated with its setDisplaySettings(settings) function.

    + 
    		
+		function initControl () {
+			$("#chbx-educationmode").on("change", function (e) {
+				update(e.target);
+			});
+		}
+		
+		function update(checkBox){
+			var settings = {};
+			settings.lonePairsVisible= true;
+			settings.lonepaircalculationenabled = !(checkBox.checked);
+			settings.copyasmrv = checkBox.checked;
+			settings.implicitHydrogen = (checkBox.checked) ? "OFF" : "TERMINAL_AND_HETERO";
+			settings.valenceErrorVisible = !(checkBox.checked);
+			settings.circledsign = checkBox.checked;
+			marvinSketcherInstance.setDisplaySettings(settings);
+		}
+
    +
    + + + diff --git a/public/marvinjs/examples/example-more-images-immediately.html b/public/marvinjs/examples/example-more-images-immediately.html new file mode 100644 index 000000000..bcec5280c --- /dev/null +++ b/public/marvinjs/examples/example-more-images-immediately.html @@ -0,0 +1,136 @@ + + + + + + Marvin JS Examples - Display More Images Immediately + + + + + + + + + + + + +

    Marvin JS Examples - Display More Images Immediately

    + +

    A molecule table should be displayed as the loading of the page is finished. See below the commented code

    + + + +
    +

    Preparation of the page is in progress ...

    +
    + +
    + +

    First of all, you need the marvin object that encapsulates the whole Marvin JS API into a common namespace. The MarvinJSUtil loads it asynchronously with the help of an invisible iframe. +After marvin is available, the exportImages function is called automatically.

    +
    	var marvin;
+	$(document).ready(function handleDocumentReady (e) {
+		// load marvin namespace in a separate frame to avoid css conflict
+		// the display attribute of this iframe cannot be "none", but you can hide it somewhere	
+		$('body').append($('<iframe>', { id: "marvinjs-iframe", src: "../marvinpack.html"}));
+		// wait for the reference of marvin namespace from the iframe
+		MarvinJSUtil.getPackage("#marvinjs-iframe").then(function (marvinNameSpace) {
+			// the reference to the namespace is arrived but there is no guaranty that its initalization has been finished
+			// because of it, wait till the ready state to be sure the whole API is available
+			marvinNameSpace.onReady(function() {
+				marvin = marvinNameSpace;
+				exportImages();
+			});
+		},function (error) {
+			alert("Cannot retrieve marvin instance from iframe:"+error);
+		});
+	});
    +

    The exportImages function converts predefined molecules into images and renders them into a table.

    +
    	function exportImages() {
+		// initalize table
+		$("#imageContainer").empty();
+		// iterate the array of molecule sources to create images
+		$.each(molecules, function(index, value) {
+			var imgData = marvin.ImageExporter.molToDataUrl(value);
+			// create a new cell with the new image and append to the table
+			if(imgData != null) {
+				var molCell = $('<div>', { class: "mol-cell"});
+				$("#imageContainer").append(molCell);
+				molCell.append($('<span>', { text: (index+1) }));
+				var img = $('<img>');
+				img.attr('src', imgData);
+				img.attr('data-mol', escape(value));
+				molCell.append(img);
+			}
+		});
+		// close table
+		$("#imageContainer").append($('<div>', { class: "table-bottom"}));
+	}
    +
    + + + diff --git a/public/marvinjs/examples/example-qrcode.html b/public/marvinjs/examples/example-qrcode.html new file mode 100644 index 000000000..341dc1051 --- /dev/null +++ b/public/marvinjs/examples/example-qrcode.html @@ -0,0 +1,314 @@ + + + + + Marvin JS Example - Create QR Code + + + + + + + + + + + +

    Marvin JS Example - Create QR Code

    + +

    You can create QR Code from the drawn structure. If the MolConvert web service is not available, error message appears on the page when you attempt to convert the structure.

    +

    In the text field above the sketcher, you can specify the target URL encoded into the QR Code.

    +

    Please, press the QR Code button on the left toolbar to generate QR Code image from the current structure. The generated code can be scanned by your mobile phone + (eg. with these apps: iOS , + Android).

    +
    + + + +
    +
    + +
    +
    +
    +

    +
    +
    +

    When the page is loaded, setup a molecule for the sketcher, define a custom button to submit QR Code generation process and provide an option to change + the URL prefix of the generated code by the creating a textbox.

    + 
    
+var marvinSketcherInstance;
+
+$(document).ready(function handleDocumentReady (e) {
+	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+		marvinSketcherInstance = sketcherInstance;
+			$("#resetButton").on("click", function handlegetQRCodeButton () {
+			qrCodeControl.reset();
+		});
+		var buttonAttributes = {
+				"name" : "Generate QR Code",
+				"image-url" : "examples/images/qr.png",
+				"toolbar" : "W"
+		};
+		sketcherInstance.addButton(buttonAttributes, function() {
+			qrCodeControl.getQRCode();
+		});
+		
+		var s = "\n\n\n"+
+		" 14 15  0  0  0  0  0  0  0  0999 V2000\n"+
+		"    0.5089    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    1.2234    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    1.2234    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"   -0.2055    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"   -0.9200    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    0.5089    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"   -0.2055    7.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    0.5089    6.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"   -0.9200    6.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    0.5089    8.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    2.4929    7.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    2.0080    7.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    2.0080    6.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"    2.2630    8.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+		"  1  7  1  0  0  0  0\n"+
+		"  8  2  1  0  0  0  0\n"+
+		"  1  3  1  0  0  0  0\n"+
+		"  2  3  2  0  0  0  0\n"+
+		"  7  4  1  0  0  0  0\n"+
+		"  4  8  1  0  0  0  0\n"+
+		"  4  9  2  0  0  0  0\n"+
+		"  7  5  1  0  0  0  0\n"+
+		"  8  6  1  0  0  0  0\n"+
+		"  1 10  2  0  0  0  0\n"+
+		"  3 12  1  0  0  0  0\n"+
+		"  2 13  1  0  0  0  0\n"+
+		" 13 11  2  0  0  0  0\n"+
+		" 12 11  1  0  0  0  0\n"+
+		" 12 14  1  0  0  0  0\n"+
+		"M  END\n";
+		
+		sketcherInstance.importStructure("mol", s).catch(function(error) {
+			alert("Import structure failed:"+error);
+		});
+	}, function () {
+		alert("Cannot retrieve sketcher instance from iframe");
+	});
+});
+
    +

    The qrCodeControl object is responsible to retrieve the structure from the editor. It communicates with the MolConvert webservice via AJAX request + to convert the molecule to SMILES format. It provides the input for the QR Code generator. The QR Code generator expects a DOM object to insert into and a text data to encode.

    + 
    
+var qrCodeControl = (function () {
+
+	function getMolConvertURL() {
+		var ws = getDefaultServices();
+		return ws['molconvertws'];
+	};
+	
+	function handleRequestError (qXHR, textStatus, errorThrown) {
+		if (qXHR.status == 0) { // UNSENT request
+			var errMsg = "ERROR: MolConvert failed.\nThe request has not been sent.\nThe request may violate the cross domain policy.";
+			errorConsole.print(errMsg);
+		} else {
+			errorConsole.print("ERROR: MolConvert failed (status code "+ qXHR.status + ")\n" + qXHR.responseText);
+		}
+	};
+	var controlObject = {
+		"getQRCode": function getQRCode () {
+			errorConsole.reset();
+			var s = marvinSketcherInstance.exportAsMrv();
+			var data = JSON.stringify({
+				"structure" : s,
+				"inputFormat" : "mrv",
+				"parameters" : "smiles"
+			});
+			$.ajax({
+				"url": getMolConvertURL()
+				,"type": "POST"
+				,"dataType": "json"
+				,"contentType": "application/json"
+				,"data": data
+			}).done(function (data, textStatus, jqXHR) {
+				qrCodeControl.convertsmilesToQRCode(data['structure']);
+			}).fail(handleRequestError);
+		}
+
+		, "reset": function reset () {
+			$("#targetField").val("http://www.chemicalize.org/structure/#!mol=");
+			$("#result").empty();
+			errorConsole.reset();
+		}
+		
+		, "convertsmilesToQRCode": function convertsmilesToQRCode(smiles) {
+			$("#result").empty();
+			var qrCode = new QRCode(document.getElementById("result"), { "width" : 450, "height" : 450 , "correctLevel" : QRCode.CorrectLevel.M });
+			var s = $("#targetField").val() + escape(smiles);
+			qrCode.makeCode(s);
+		}
+	}
+	return controlObject;
+}());
+
    +

    The errorConsole object is responsible to display error messages.

    + 
    
+var errorConsole = (function () {
+	var controlObject = {
+		"reset" : function() {
+			$("#error").children("p").html("");
+		}
+		, "print" : function(txt) {
+			$("#error").children("p").html(txt);
+		}
+		, "isEmpty" : function() {
+			return ($("#error").children("p").html() === "");
+		}
+	};
+	return controlObject;
+}());
+
    +

    The following additional JavaScript libraries are required:

    + 
    
+	<script src="e;../js/lib/jquery-1.9.1.min.js"e;></script>
+	<script src="e;../js/webservices.js"e;></script>
+	<script src="e;../js/util.js"e;></script>
+	<script src="e;../js/lib/qrcode/qrcode.min.js"e;></script>
+	
+
    +

    The QR Code generation uses a contributed JavaScript library, it is under MIT license.

    + + + diff --git a/public/marvinjs/examples/example-reaction.html b/public/marvinjs/examples/example-reaction.html new file mode 100644 index 000000000..0471f66da --- /dev/null +++ b/public/marvinjs/examples/example-reaction.html @@ -0,0 +1,97 @@ + + + + + + Marvin JS Example - No reaction + + + + + + + + + +

    Marvin JS Example - Reaction handling

    + + +
    + Create editor where reaction is: + + and ReactionConverter WS is + enabled. + +
    +
    + +
    +
    +
    + + + +
    To control how to handle reactions, specify the data-reaction attribute + in the iframe of the sketcher. + It accepts the following values: +
      +
      OFF
      +
      Canvas content is never applied as reaction. +

      Example:

      <iframe src="../editor.html" data-reaction="OFF" id="sketch" class="sketcher-frame"></iframe>

      + +
      BASIC
      +
      Built-in (native) mechanism to resolve single-step reactions at molecule export. +

      Example:

      <iframe src="../editor.html" data-reaction="BASIC" id="sketch" class="sketcher-frame"></iframe>

      + +
      EXTERNAL
      +
      Legacy behavior. The reactionconvertws webservice is responsible for + resolving reactions. If the webservice is not available, the behavior of the editor is similar than in OFF mode. + If the service is available, the service attempts to convert canvas content to a single step reaction at molecule export. +

      Example:

      <iframe src="../editor.html" data-reaction="EXTERNAL" id="sketch" class="sketcher-frame"></iframe>

      +
    +
    + + + diff --git a/public/marvinjs/examples/example-removedefaultservicefromtoolbar.html b/public/marvinjs/examples/example-removedefaultservicefromtoolbar.html new file mode 100644 index 000000000..f4f38a3a1 --- /dev/null +++ b/public/marvinjs/examples/example-removedefaultservicefromtoolbar.html @@ -0,0 +1,97 @@ + + + + + Marvin JS Example - Configure toolbars and services + + + + + + + + + + + +

    Marvin JS Example - Configure toolbars and services

    + +

    + This example demonstrates how to switch off certain server-side features in an editor that has a specific toolbar setting. New buttons can not be added through this usecase, and only those buttons can be removed which would be available with the toolbar preset. +

    +
    +
    + +
    +
    +
    +

    Embed the Marvin JS editor without the default webservices (editor.html) and specify the search layout: + 

    <div class="resizable">
+    <iframe src="../editor.html" id="sketch" class="sketcher-frame" data-toolbars="search"></iframe>
+</div>
    + +

    Include webservices.js in order to reach default webservice locations.

    + 
    <script src="../js/webservices.js"></script>
    + +

    Bind a listener to the loading of the sketcher. When the sketcher is loaded, the setServices method setups the services.

    + 
    
+$(document).ready(function handleDocumentReady (e) {
+	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+		setServices(sketcherInstance);
+	},function (error) {
+		//what should happen if marvinjs initiation fails.
+	});
+});
    +

    The setServices method receives the reference to the sketcher object as parameter. + The excluded object declares services to switch off. + With the predefined getDefaultServices(), you can get factory settings of services.

    +

    When you merge the above objects, the new one specifies all services (those ones that are not specified in + excluded inherits the default value, the others are overwritten).

    +

    Finally, call setServices function of the sketcher with the above settings. + After then, enabled services are activated (if current layout includes their button) and buttons of disabled + services are removed.

    + 
    
+function setServices(marvinSketcherInstance) {
+	// set null value for those services that you would like to switch off
+	var excluded = {
+		"stereoinfows": null, 
+		"hydrogenizews": null,
+	}
+	// all services
+	var defaultServices = getDefaultServices();
+	// merge defaultServices and excluded into an empty object
+	// the new object contains the result
+	var services = $.extend({}, defaultServices, excluded);
+	marvinSketcherInstance.setServices(services);
+}
    +
    + + + + + + + diff --git a/public/marvinjs/examples/example-selection.html b/public/marvinjs/examples/example-selection.html new file mode 100644 index 000000000..150c27222 --- /dev/null +++ b/public/marvinjs/examples/example-selection.html @@ -0,0 +1,296 @@ + + + + + Marvin JS Examples - Demo + + + + + + + + + +

    Marvin JS Examples - Manage selection

    + + + + + + +
    +
    + +
    +     		+
    +
    +

    Atoms:

    +

    Bonds:

    +
    +
    +

    Get selection automatically: + + +

    +

    Retrieve mol source at mol change: + Mol change counter: 0 + +

    +

    +
    +

    This example demonstrates how to control selection via JavaScript API and how to monitor the changing of the structure.

    +

    When selection information is retrieved from the sketcher, lists of selected atoms and bonds appear in the following textboxes: Atoms and Bonds.

    +

    If the checkbox titled as Get selection automatically is checked in, lists of selected atoms and bonds are retrieved automatically as the selected context is changed on the canvas. + When this functionality is disabled, you can retrieve the selection by submitting the Get selection button.

    + +

    You can edit both the atom list and bond list in the form. + Atoms can be referred to by their atom index. A bond can be described with the atom index of its nodes.

    +

    With the Set selection button, you can update selection in the editor. Those atoms and bonds will be selected that are enumerated on the selection form.

    + +

    To get the molecule source each time when the drawn structure is changed in the sketcher, check in the Retrieve mol source at mol change checkbox. The retrieved data appears in the + textbox beside the sketcher. You can find a counter next to the checkbox, that indicates how many times the mol change event is invoked. You can reset this counter by submitting the Reset counter button.

    + +

    You can see the code comment below.

    + + 
    		var marvinSketcherInstance;
+		var molChangeCounter;
+
+		$(document).ready(function handleDocumentReady (e) {
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				// initalize sketcher
+				marvinSketcherInstance = sketcherInstance;
+				marvinSketcherInstance.importStructure("mol",caffeineSource).catch(function(error) {
+					alert("Import failed:"+error);
+				});
+				marvinSketcherInstance.setDisplaySettings({
+					'carbonLabelVisible' : true,
+					'atomIndicesVisible' : true
+				});
+
+				 
+				getSelection = function () {
+					$("#atoms").val("");
+					$("#bonds").val("");
+					var selection = marvinSketcherInstance.getSelection();
+					$("#atoms").val(selection['atoms']);
+					$("#bonds").val(selection['bonds']);
+				};
+				
+				setSelection = function () {
+					marvinSketcherInstance.setSelection({
+						'atoms' : $('#atoms').val(),
+						'bonds' : $('#bonds').val()
+					});
+				};
+				
+				$("#getSelectionButton").on("click", getSelection);
+				
+				$("#setSelectionButton").on("click", setSelection);
+				
+				// true to switch on auto retrieve of selection, false to switch it off
+				setSelectionChangeListener = function(b) {
+					if(b) {
+						// add selection change event listener
+						marvinSketcherInstance.on("selectionchange", getSelection);
+						// disable manual retrieve when selection change event listener is active
+						$("#getSelectionButton").attr("disabled", "disabled");
+					} else {
+						// remove selection change event listener					
+						marvinSketcherInstance.off("selectionchange", getSelection);
+						// enable Get Selection button when selection change event listener is inactive
+						$("#getSelectionButton").removeAttr("disabled");
+					}
+				};
+
+				// when the checkbox is checked in/out by the user
+				$("#selectionChangeCheckbox").change(function () {
+					setSelectionChangeListener(this.checked);
+				});				
+				// activate the listener at startup if its checkbox is selected
+				if($("#selectionChangeCheckbox").prop('checked')) {
+					setSelectionChangeListener(true);
+				}
+				
+				molChangeCounter = 0;
+				
+				// update counter and display retrieved molecule source
+				handleMolChangeEvent = function () {
+					molChangeCounter = molChangeCounter+1;
+					$("#molChangeCounterDisplay").text(molChangeCounter);
+					marvinSketcherInstance.exportStructure("mrv").then(function(molsource) {
+						$("#molsource").val(molsource);	
+					}, function () {});
+				};
+				
+				// true to switch on auto retrieve of the molecule, false to switch it off
+				setMolChangeListener = function(b) {
+					if(b) {
+						// add mol change event listener					
+						marvinSketcherInstance.on("molchange", handleMolChangeEvent);
+					} else {
+						// remove mol change event listener					
+						marvinSketcherInstance.off("molchange", handleMolChangeEvent);
+					}
+				};
+
+				// when the checkbox is checked in/out by the user
+				$("#molChangeCheckbox").change(function () {
+					setMolChangeListener(this.checked);
+				});
+				// activate the listener at startup if its checkbox is selected
+				if($("#molChangeCheckbox").prop('checked')) {
+					setMolChangeListener(true);
+				}
+				
+				// when reset button is submitted by the user
+				$("#resetMolChangeCounterButton").on("click", function() {
+					molChangeCounter = 0;
+					$("#molChangeCounterDisplay").text(molChangeCounter);
+				});
+
+			}, function () {
+				alert("Cannot retrieve sketcher instance from iframe");
+			});
+		});
+
+
    + + + diff --git a/public/marvinjs/examples/example-setmol.html b/public/marvinjs/examples/example-setmol.html new file mode 100644 index 000000000..d1de05fe0 --- /dev/null +++ b/public/marvinjs/examples/example-setmol.html @@ -0,0 +1,192 @@ + + + + + Marvin JS Example - Set a Molecule + + + + + + + + + +

    Marvin JS Example - Set a Molecule

    + +
    +
      +
      • +
    +
    + +
    +
    +
    +

    To be able to embed the Marvin JS editor into a web page, you need one of the following HTML files: +

      +
    • editor.html - the pure editor
      • +
    • editorws.html - the editor extended with default webservices
      • +
    + +

    These HTML files are responsible for loading all resources that the editor component requires.

    + +

    First of all, create an iframe that loads the proper HTML file. + (In this example, the editorws.html file is preferred to be able to use extra functionalities that webservices provide.) + The editor component fills the iframe. As you resize the iframe, the editor follows the changing of the + iframe width and height. In this example, the iframe size is determined by its CSS class, + which is defined in docs.css: sketcher-frame

    + + 
    +			<div class="resizable">
+	<iframe src="../editorws.html" id="sketch" class="sketcher-frame"></iframe>
+</div>
+
    + +

    The host page is where the iframe is inserted.

    + +

    The loading of the editor is not synchronized with the loading of the hosted page. The sketcher object is instantiated inside the iframe. Thus, there is no guaranty that the sketcher is already available + when the loading of the hosted page is finished.

    +

    If you would like to access the sketcher object, use the MarvinJSUtil.getEditor(iframeID) helper function from the js/marvinjslauncher.js. +

    To use it, please include the following script in the header of the HTML document where you would like to use. + 

    <script src="../gui/lib/promise-1.0.0.min.js"></script>
+	<script src="../js/marvinjslauncher.js"></script>
    +

    +

    Below, you can see its usage. + Call MarvinJSUtil.getEditor with the ID of the iframe that contains the editor. It returns with a promise. + After then, call the then method of the promise object. Here, you can specify which code should be evaluated when loading of the sketcher is successful and which one when it fails.

    + 
    
+		MarvinJSUtil.getEditor("#sketch").then(function(sketcherInstance) {
+			// code performed when the sketcher loaded successful (sketcherInstance is a reference to the editor object)
+		}, function() {
+			// code performed when the sketcher loading failed
+		});
    +

    The fail branch can be evaluated in the following cases:

    +
      +
    • Unable to get iframe with the given ID.
      • +
    • Unable to find sketcherInstance in iframe with the given ID.
      • +
    • Unable to find marvin package
      • +
    • Unable to retrieve sketcher instance.
      • +
    +

    Please, take care that in certain case the browser can reject accessing of the sketcher despite it is loaded into the iframe. It happens when the JavaScript request violates the security concept of the browser + (same origin policy).

    See the Troubleshoot section of the documentation for more details. + +

    In this example, when sketcher is loaded, the initial molecule is setup by calling the importStructure function, and the initControls() function is performed. It binds even handlers + for the checkboxes above the editor (CPK coloring and Carbon label visibility).

    + + 
    var marvinSketcherInstance;
+
+$(document).ready(function handleDocumentReady (e) {
+	var p = MarvinJSUtil.getEditor("#sketch");
+	p.then(function (sketcherInstance) {
+		marvinSketcherInstance = sketcherInstance;
+		marvinSketcherInstance.importStructure("mol", s).catch(function(error) {
+			alert(error);
+		});
+		initControls();
+	}, function (error) {
+		alert("Cannot retrieve sketcher instance from iframe:"+error);
+	});
+});
+
+function initControls () {
+
+	// Reset mol button
+	$("#btn-setmol").on("click", function (e) {
+		marvinSketcherInstance.importStructure("mol", s);
+	});
+}
+
+var s = "\n\n\n"+
+	" 14 15  0  0  0  0  0  0  0  0999 V2000\n"+
+	"    0.5089    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    1.2234    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    1.2234    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"   -0.2055    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"   -0.9200    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    0.5089    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"   -0.2055    7.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    0.5089    6.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"   -0.9200    6.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    0.5089    8.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    2.4929    7.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    2.0080    7.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    2.0080    6.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"    2.2630    8.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
+	"  1  7  1  0  0  0  0\n"+
+	"  8  2  1  0  0  0  0\n"+
+	"  1  3  1  0  0  0  0\n"+
+	"  2  3  2  0  0  0  0\n"+
+	"  7  4  1  0  0  0  0\n"+
+	"  4  8  1  0  0  0  0\n"+
+	"  4  9  2  0  0  0  0\n"+
+	"  7  5  1  0  0  0  0\n"+
+	"  8  6  1  0  0  0  0\n"+
+	"  1 10  2  0  0  0  0\n"+
+	"  3 12  1  0  0  0  0\n"+
+	"  2 13  1  0  0  0  0\n"+
+	" 13 11  2  0  0  0  0\n"+
+	" 12 11  1  0  0  0  0\n"+
+	" 12 14  1  0  0  0  0\n"+
+	"M  END\n";
+
    +
    + + + diff --git a/public/marvinjs/examples/example-templates-default.html b/public/marvinjs/examples/example-templates-default.html new file mode 100644 index 000000000..000f156e2 --- /dev/null +++ b/public/marvinjs/examples/example-templates-default.html @@ -0,0 +1,28 @@ + + + + + Marvin JS Example - Load Custom Templates (in JSON format) + + + + + + +

    Marvin JS Example - Load Custom Templates (in JSON format)

    + +
    + +
    +
    +

    In this example, custom templates are loaded. These templates are stored in templates/default_templates_with_naphtalane.json (URL is relative to the directory of Marvin JS package). + To display them on custom template toolbar, define the location of their source file in the data-templateurl attribute of the iframe tag of the editor.

    + 
    <div class="resizable">
+	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-templateurl="templates/default_templates_with_naphtalane.json"></iframe>
+</div>
+
    +

    You can generate your own templates file via the following form: Create template

    +
    + + + diff --git a/public/marvinjs/examples/example-templates.html b/public/marvinjs/examples/example-templates.html new file mode 100644 index 000000000..979cd756b --- /dev/null +++ b/public/marvinjs/examples/example-templates.html @@ -0,0 +1,28 @@ + + + + + Marvin JS Example - Load Custom Templates + + + + + + +

    Marvin JS Example - Load Custom Templates

    + +
    + +
    +
    +

    In this example, custom templates are loaded. These templates are stored in templates/mytemplates.mrv (URL is relative to the directory of Marvin JS package). + It is an MRV file that contains several molecule structures. + They will appear on custom templates toolbar if location of their source file is defined in the data-templateurl attribute of the iframe tag of the editor.

    + 
    <div class="resizable">
+	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-templateurl="templates/mytemplates.mrv"></iframe>
+</div>
+
    +
    + + + diff --git a/public/marvinjs/examples/example-templates_with_displaysettings.html b/public/marvinjs/examples/example-templates_with_displaysettings.html new file mode 100644 index 000000000..910afe642 --- /dev/null +++ b/public/marvinjs/examples/example-templates_with_displaysettings.html @@ -0,0 +1,98 @@ + + + + + Marvin JS Example - Overwrite custom templates toolbar + + + + + + + + + +

    Marvin JS Example - Overwrite custom templates toolbar

    + +
    +
    + + +
    +
    + +
    +
    +
    +

    In this example, you can change the content of the custom template toolbar without reloading of the editor. + To do this, type the URL of a template source file into the given input field and submit the Update Templates button.

    +

    When you take a look at the source code, you can see that a listener function is bind to the submit button. + (URLs are relative to the root directory of Marvin JS package.) + When the click event is invoked, the updateToolbars(value) function is performed unless the input field is empty. + This function creates a JavaScript object that contains a templateurl property . To update toolbar pass this object to the setDisplaySettings(settings) function of the sketcher.

    + 

    
+		var marvinSketcherInstance;
+
+		$(document).ready(function handleDocumentReady (e) {
+			// after editor in the sketch iframe is ready store its reference 
+			// and activate controls
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				initControls();
+			},function (error) {
+				alert("Cannot retrieve sketcher instance from iframe:"+error);
+			});
+		});
+
+		function initControls () {
+			// overwrite custom templates toolbar
+			$("#updateCustomTemplates").on("click", function(e) {
+				var s = $("#templateurl").val();
+				if(typeof s != "undefined" && s.length > 0) {
+					updateCustomToolbar(s);	
+				}
+			});
+		}
+
+		function updateCustomToolbar(url) {
+			var settings = {
+					"templateurl": url
+			};
+			marvinSketcherInstance.setDisplaySettings(settings);
+		}

    +
    + + + diff --git a/public/marvinjs/examples/example-toolbars.html b/public/marvinjs/examples/example-toolbars.html new file mode 100644 index 000000000..b0b0b7d0a --- /dev/null +++ b/public/marvinjs/examples/example-toolbars.html @@ -0,0 +1,84 @@ + + + + + Marvin JS Example - Toolbars + + + + + + + + + +

    Marvin JS Example - Toolbars

    + +
    +
    + Standard + Education + Reaction + Markush + Search + Basic Search + Reporting + View 3D +
    +
    + +
    +
    + +
    +

    In this example, the sketcher is initalized with the standard toolbars.

    +

    This layout setting is defined in the data-toolbars attribute of the iframe, which loads the editor.

    + 
    <div class="resizable">
+<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-toolbars="standard"></iframe>
+</div>
    +

    Further presets are enumerated above the sketcher. To switch another layout, select its radio button. + It triggers the reload of the iframe with the new setting. + If you select the Markush layout, the editor will be reloaded with the Markush layout.

    +

    When you take a look at the source code, you can see that a listener function is bind to the change events of radio buttons. + When a change event is invoked, the value of data-toolbars attribute of the iframe tag is overwritten + with the selected value and the reload of the iframe is triggered.

    + 

    
+		$(document).ready(function handleDocumentReady (e) {
+			initControls();
+		});
+
+		function initControls () {
+			// bind event listener to all radio buttons from layout-group
+			$("input[name='layout-group']").change(function(e) {
+				var s = $(this).val();
+				reload(s);
+			});
+		}
+		
+		function reload(layout) {
+			$("#sketch").attr("data-toolbars", layout);
+			$("#sketch")[0].contentWindow.location.reload(true);
+		}
    +

    +
    + + + diff --git a/public/marvinjs/examples/example-toolbars_with_displaysettings.html b/public/marvinjs/examples/example-toolbars_with_displaysettings.html new file mode 100644 index 000000000..eaba42781 --- /dev/null +++ b/public/marvinjs/examples/example-toolbars_with_displaysettings.html @@ -0,0 +1,98 @@ + + + + + Marvin JS Example - Toolbars with display settings + + + + + + + + + +

    Marvin JS Example - Toolbars with display settings

    + +
    +
    + Standard + Education + Reaction + Markush + Search + Basic Search + Reporting + View 3D +
    +
    + +
    +
    +
    +

    In this example, you can change layout without reloading of the editor. + Select the desired layout to rerender editor toolbars.

    +

    When you take a look at the source code, you can see that a listener function is bind to the change events of radio buttons. + When a change event is invoked, the updateToolbars(value) function is performed. + This function assembles a JavaScript object that describes display settings and call the setDisplaySettings(settings) function of the sketcher. + Only give settings that you would like to overwrite. In this case, this is the toolbars property.

    + 

    
+		var marvinSketcherInstance;
+
+		$(document).ready(function handleDocumentReady (e) {
+			// after editor in the sketch iframe is ready store its reference 
+			// and activate controls
+			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
+				marvinSketcherInstance = sketcherInstance;
+				initControls();
+			},function (error) {
+				alert("Cannot retrieve sketcher instance from iframe:"+error);
+			});
+		});
+
+		function initControls () {
+			// change layout
+			$("input[name='layout-group']").change(function(e) {
+				var s = $(this).val();
+				updateToolbars(s);
+			});
+		}
+
+		function updateToolbars(layout) {
+			marvinSketcherInstance.setDisplaySettings({
+				"toolbars": layout
+			});
+		}

    +
    + + + diff --git a/public/marvinjs/examples/form/echo.php b/public/marvinjs/examples/form/echo.php new file mode 100644 index 000000000..45a21d5a1 --- /dev/null +++ b/public/marvinjs/examples/form/echo.php @@ -0,0 +1,12 @@ + + + + + +

    mrv field of the posted form

    + + +

    No posted form with mrv field

    + + + \ No newline at end of file diff --git a/public/marvinjs/examples/form/example-submit-form.html b/public/marvinjs/examples/form/example-submit-form.html new file mode 100644 index 000000000..5689f2a59 --- /dev/null +++ b/public/marvinjs/examples/form/example-submit-form.html @@ -0,0 +1,51 @@ + + + + + Marvin JS Example - Get SVG + + + + + + + + + +

    Marvin JS Example - Submit a form

    + +
    + +
    +
    + + +
    + + + \ No newline at end of file diff --git a/public/marvinjs/examples/images/custom-icon.png b/public/marvinjs/examples/images/custom-icon.png new file mode 100644 index 0000000000000000000000000000000000000000..399237e95a00fe2ef8ac33ba04b396b938af3acf GIT binary patch literal 918 zcmV;H18Mw;P)Px#1ZP1_K>z@;j|==^1poj532;bRa{vGi!vFvd!vV){sAK>D11m{HK~zXf?Nn(< z6;T*Hg)Nx2Xtt^)8HD7L6xpg)R`$%-Q_G6>Xv#K2!m`y~WmsV=K~WKHP|!j~CKa~t z5%nV~BFiXj!3-2C@67GodDH$B?MFYN1BZ`u=KJn9_kME+|MA!0`MRHMRNh-!vX(e3 zy>P;qi2}V4=S3;5h|jpg_&_hPGQL713bKWPTv3JP#Tj&3kPXOsR`ekiv`(i+$&Tle zrT-;1xs@PW-HVsL4+qO;Pub*Uw3`N@nf}NSZ?K4Oo>i7^xz$1YkpUM+$aXh|t3|(h zzo9--ix*=i7oVpWSssw1ufYaUfo=LKQ}3rfqE{f_(k^I0XHsOqg%LH*zz<_S6=5nH zq{)%Wu-Ro z#`{fJB0gZX?lg5C^$zO2y3?$3q1t2l5n-@#ut{tXEj^Txn3&j3EvlkBT~|aRhLmmL90xVjzSorvp*GseMg1Rz0rB9(EnF#(#miF7{CWL{Q9rmMVmXiY{U;PMQFidX2)Mf#Eh z$zh~}979ebHGXvyi$}Z4>ISuwPQBmo@63qej8W% spF#aSTaul~u4K3sl~%r***_293oD$BxPH&95dZ)H07*qoM6N<$g4t`Z%K!iX literal 0 HcmV?d00001 diff --git a/public/marvinjs/examples/images/qr.png b/public/marvinjs/examples/images/qr.png new file mode 100644 index 0000000000000000000000000000000000000000..78b193f975112e17ce791d247aa1975853bc4076 GIT binary patch literal 630 zcmV-+0*U>JP)Px#1ZP1_K>z@;j|==^1poj532;bRa{vGi!vFvd!vV){sAK>D0t-n*K~zXf-H<_R z6Hyd}XK*r6614?gC@6(4gc8IqtduUYXg6K7#A=CR1O;oVm`b&vPC-GW?ZP)xH6)D- ztxH{n{sMnNaG9UrZ^)v@oXNdKLfSX$9yq-F?mgdqnK;K&HK&%Vy7iWEqs~V+MC5)# z-EH8TyBnJ|dz>-DEE&P=iqiGgv(yU|y%KJEi~F~|yLjY1`TH{U>Nm}ry#=orXP6}; zxLqGI+nuG8D_A|Xj`x`m8=22A*{`T(f5c|Z9%sxjOGa?J-VTMRoLNV^-Tsoq%#sn@ zuGi-bXu^d;0czfx&F0Vkp5_I&YwdyotqGTSE_4aeDq9va^dgd#8-yPGw!ibe*W-+tZkCMT$4ZX#50QRvCs07*qoM6N<$g4sAK8UO$Q literal 0 HcmV?d00001 diff --git a/public/marvinjs/examples/images/search.png b/public/marvinjs/examples/images/search.png new file mode 100644 index 0000000000000000000000000000000000000000..02441484df2990247761d8612f5eea915257ed8f GIT binary patch literal 1125 zcmV-r1e*JaP)Px#1ZP1_K>z@;j|==^1poj532;bRa{vGi!vFvd!vV){sAK>D1NuosK~zXfy;N;X zn^hD(>wu-xWp2wv=eIL%OD1m4ZHYg0%*6QZ_^?@E1klzWO4u^!8W!xEEzktczJderP&AT-cm(HT)11K};Npv_RMp+h7Ylo^yBG&;m9{qQ)0;tz1n=XRW ziFdM8`|+E~VR%!zC68Snf@vwjrEI0`WT4@3xL3L+hh(B(Xs2@ES?QV_%v#vL!d@3z ziY(F8=8SI?0F`u24hXQqatNMFGwr#$6e$}geTNZhTGQb!>6ScpR)Sf76yD}}<6d~Q ztPBoP)fk>X4oaQ@KH%#57+_V?23WIE*?8Xh5^NQY$>JfS`csZlUGwy1odL9GUW4sS z#-!)AL;Ba>HI{!rHvIG0%*^~eB8EbL2j}MIu0$e{_vv%Bq*)$kUxX*qY)AZw&$6bu z8Nc{#gg6kVrlzpFyBpnZH+FP%;K<1B^>8@+3kmI%RLjG$74F}xtZYcNS57hcs-`Bq z>Kj9f6kA$aFgG_Bv$C?{%xE;?`1m-B+$50ua7DvggH4mg23f+k#htyoiCg} z_aLk%ZWZO`8Yen>i{9Q|k#I>DkE~;GWT^U_xE$feJd&Barz+aRXOT{(HuPEc1M_SVIn;qj}VDsbaWJpii*Tu zadELIXS&rT+DehM@vy%IJMK1Z^MKPa&m!Cd+*}0(1u>C|iVAF|=CfEVsL^O*>zu3h z_I4pmB45$4R?;p8{~9U}!vXyTO4t6#gdW|%*)FY&1JP(acF1=eLf$SmX^jus;jHTO~`LZ(%cy&vW>4z z4k9lLL2JK~{lPuL#QaoVub0 + + + + Marvin JS - Examples + + + +

    Marvin JS Examples

    + +

    Sketch

    +

    The pure editor

    +

    The editor extended with default webservices + +

    Import / export structures

    + + +

    Customization

    + + +

    Further examples

    + + +

    ImageExport

    + + + diff --git a/public/marvinjs/examples/jqueryui/dialog.html b/public/marvinjs/examples/jqueryui/dialog.html new file mode 100644 index 000000000..2ab1eb4c4 --- /dev/null +++ b/public/marvinjs/examples/jqueryui/dialog.html @@ -0,0 +1,74 @@ + + + + + Marvin JS Editor in jQuery UI Dialog + + + + + + + + + + + + + +
    + +
    + + + + + diff --git a/public/marvinjs/examples/properties/example-set-properties.html b/public/marvinjs/examples/properties/example-set-properties.html new file mode 100644 index 000000000..bc63ebe05 --- /dev/null +++ b/public/marvinjs/examples/properties/example-set-properties.html @@ -0,0 +1,298 @@ + + + + + Marvin JS Example - Molecule property + + + + + + + + + +

    Marvin JS Example - Molecule property

    + + +
    + +
    + +
      + +

    • Properties (key=value)

      • +
    • + + +
      • +

    • Feadback:

      • +
    +
    +

    This example demonstrates how to insert molecule properties into MRV source.

    +

    Marvin JS can parse molecule properties if they has been bound to the scaffold: + 

    		<cml>
+		  <MDocument>
+		  	<MChemicalStruct>
+		  	  <molecule molID="m1">
+		  	  	<propertyList>
+		  	  		<property dictRef="my property" title="my property" >
+		  	  			<scalar>value of my property</scalar>
+		  	  		</property>
+		  	  	<propertyList>
+		  	  	<atomArray> ... </atomArray>
+		  	  	<bondArray> ... </bondArray>
+		  	    ...
+		  	  </molecule>
+		  	</MChemicalStruct>
+		  </MDocument>
+		</cml>  
+
    + At single step reaction the canvas content is separated to identical reaction compounds. In this case, molecule properties + does not supported.

    +

    About the example: Draw something and submit the Get properties button. It retrieves the canvas content. The MRV source appears + in the Feadback box. If the scaffold contained molecule properties, they also appears in the Properties box.

    +

    Setup properties: Type key-value pairs (separated by "=" sign) into the Properties box. Each line represents a property (key-value pair). + Pressing the Set properties button trigger a request to retrieve the canvas content (as MRV). + When the mrv export is finished, the content of the Properties box is evaluated. Insert defined molecule properties into + the given MRV source then update the editor with the modified MRV. In the Feadback box, the modified MRV also appears.

    +
    + + + diff --git a/public/marvinjs/examples/properties/xmlindent.js b/public/marvinjs/examples/properties/xmlindent.js new file mode 100644 index 000000000..d3d635fb6 --- /dev/null +++ b/public/marvinjs/examples/properties/xmlindent.js @@ -0,0 +1,55 @@ +/** +* @author Tamas Vertse +* @Copyright 1998-2017 ChemAxon Ltd. +*/ +(function() { + + var open = /^\s*<\w+/; + var close = /(\/|<\/\w+)\s*>\s*$/; + + function xmlindent(xml) { + var lines = tokenize(xml); + var n = lines.length; + var indent = 0; + var result = ""; + for(var i = 0; i < n; i++) { + var line = lines[i]; + var diff = 0; + if(open.test(line)) { + diff += 1; + } + if(close.test(line)) { + diff -= 1; + } + if(diff == -1) { + result += leftIndent(--indent, line); + } else { + result += leftIndent(indent, line); + indent += diff; + } + } + return result; + } + + function tokenize(xml) { + var reg = /[^\]]><[^\!]/; + var end = xml.search(reg)+2; + var s = xml; + var tokens = new Array(); + while(end > 1) { + var next = s.slice(0, end); + tokens.push(next); + s = s.substring(end); + end = s.search(reg)+2; + } + tokens.push(s); + return tokens; + } + + function leftIndent(n, s) { + var result = s + '\n'; + return (n > 0)? ' '.repeat(n*2)+result : result; + } + + window.xmlindent = xmlindent; +})(); \ No newline at end of file diff --git a/public/marvinjs/examples/query/substructuresearch.html b/public/marvinjs/examples/query/substructuresearch.html new file mode 100644 index 000000000..0b332616c --- /dev/null +++ b/public/marvinjs/examples/query/substructuresearch.html @@ -0,0 +1,138 @@ + + + + +Marvin JS Substructure Search + + + + + + + + + + + +

    Marvin JS Substructure Search

    +

    Draw a query and perform a substructure search with JChem Webservices on an example data base, the target hints will be displayed on the bottom of the page. +Please, take care that Complex Query Search Webservice with valid license is required for this example.

    +

    + +
    + +
    + + +
    +
    + + diff --git a/public/marvinjs/examples/textbox/textbox.html b/public/marvinjs/examples/textbox/textbox.html new file mode 100644 index 000000000..64d63a463 --- /dev/null +++ b/public/marvinjs/examples/textbox/textbox.html @@ -0,0 +1,41 @@ + + + + + Marvin JS + + + + + +
    +

    +

    + + +

    +
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qsd(dsd(a.C.p).b.Qb());e.b.Rc();){d=e.b.Sc();Fl(d,(tUb(),rUb))}} +function UI(a){var b,c,d,e;d=a?6:5;e=suc(T1c,tBd,5,d,0,1);b=kBd/d;for(c=0;c0',wId]))),new BCb(b,c,new aBb)),yId)} +function OIb(a){MIb();var b,c,d,e;if(a!=null){for(c=vuc(quc(TSc,1),nyd,304,0,[LIb,KIb]),d=0,e=c.length;db){Xfd(a,a.b-1)}}} +function Jtd(){function b(){try{return (new Map).entries().next().done}catch(a){return false}} +if(typeof Map===byd&&Map.prototype.entries&&b()){return Map}else{return Ktd()}} +function GY(a,b,c,d,e){HX.call(this,a.c,d,e);this.i=b1b(a.b.Ji());this.n=a.b.Lh();this.p=a.b.Wm();this.c=b;this.j=c;this.a=a.a;this.t=a.b.Xm();this.o=a.b.Ym();this.r=a.b.Zm()} +function sZ(a,b){var c,d,e;c=sac(a.e.pi(a.d),a.e.qi(a.d));d=new qad(0,0);e=new qad(c,0);HHb(b,new tT((iU(),hU),1.5,true,'rgba(0,255,255, 0.5)'),vuc(quc(T1c,1),tBd,5,0,[d,e]))} +function F_(a,b,c){var d,e,f,g;if(!b||b.sd()){return a_(),_$}e=new es;for(g=b.Qb();g.Rc();){f=g.Sc();d=G_(a,f,c);e.a[e.a.length]=d}return new 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gs(c.Mk()),Wr(g,c.i),ds(g,suc(D3c,_Hd,21,0,0,1)))));ptd(a.d,c)} +function _Bb(a){this.a=a;this.b=edc(ds(a,suc(tWc,zBd,49,0,0,1)));this.d=fdc(hdc(ds(a,suc(tWc,zBd,49,0,0,1))));this.c=a.a.length==1?idc(a.a[0]):ddc(ds(a,suc(tWc,zBd,49,0,0,1)))} +function cJb(a,b,c){var d,e,f;f=false;if(c){for(e=new iud(new gud(a.a));e.b!=e.c.a.b;){d=hud(e);pvc(d.d)===pvc(b)&&(f=true);f&&(d.e.b=true,undefined)}}else{Xtd(a.a,b).b=false}} +function kPb(a){var b;b={};ZOb(b,a.o);$Ob(b,a.p);cPb(b,a.s);bPb(b,a.r);gPb(b,fc(a.n));iPb(b,a.u);hPb(b,a.t);aPb(b,a.e);ePb(b,fc(a.j));_Ob(b,a.q);fPb(b,a.k);dPb(b,a.i);return b} +function Tic(a,b){var c,d;b=ojc(b);d=a.className||'';c=mjc(d,b);if(c==-1){d.length>0?(a.className=d+' '+b||'',undefined):(a.className=b||'',undefined);return true}return false} +function ixd(a,b,c,d){while(a.n!=0&&d>0){hxd(a,b[c]);++c;--d}while(d>a.k.length){lxd(a,b,c);c+=a.k.length;d-=a.k.length;a.j=J8c(a.j,a.k.length)}while(d>0){hxd(a,b[c]);++c;--d}} +function H_(a,b,c){var d,e,f;if(kvc(b,100)){d=eT(c.j,b);return v$(d,a.a)}else if(kvc(b,168)){e=b;d=eT(c.j,e);return f=new es,h$(d,f),Wr(f,L$(e$(d.o),null)),IS(f)}return a_(),_$} +function rnb(a,b,c,d){bcb(a,NGd,qnb('Expand and Clean',(qtb(),_rb),d,new qqb(b,c.a,true)));bcb(a,OGd,qnb('Ungroup and Clean',(cub(),Nsb),d,c.a?new qqb(b,c.a,false):new Gqb(b)))} +function oxb(a){var b,c;a.a=new Bm;zm(a.a,'Error');if(a.c!=null){b=new Jed(a.c);kg((abd(),b.U),'mjs-errorpanel',true);Ced(b,rxb(a.b));Cg(a.a,b)}else{Cg(a.a,(c=new red(a.b),c))}} +function pzb(b){var c,d,e;d=null;e=Sgd(b.a,Rf(b.a).selectedIndex);try{c=k$b(e);!!c&&(d=new i$b(c,ozb(b)))}catch(a){a=H8c(a);if(kvc(a,20)){return null}else throw I8c(a)}return d} +function CTb(a,b){rTb(a,b);b.lp((kcc(),Nbc))&&jTb(a,b.np(Nbc));b.lp($bc)&&kTb(a,b.np($bc).a);b.lp(acc)&&nTb(a,b.np(acc));b.lp(dcc)&&ATb(a,b.np(dcc));b.lp(ccc)&&BTb(a,b.np(ccc))} +function igd(a,b,c){var d,e;b=$wnd.Math.max(b,1);e=a.a.childNodes.length;if(eb){for(d=e;d>b;d--){Qic(a.a,a.a.lastChild)}}} +function Uid(a,b){var c;Rid(a,b);c=$pc(a,mnd(b));if(!!c&&c.a){return false}Wid(a.b,false);if(b==-1){a.b=null;return true}a.b=to(a.a,b+1);Wid(a.b,true);kqc(a,mnd(b));return true} +function $g(a,b){(abd(),a.U).style[nzd]=ozd;!!a.A&&(a.A.style[nzd]=ozd,undefined);a.Zb();b.ec($ic(a.U,_yd),$ic(a.U,$yd));a.U.style[nzd]=tzd;!!a.A&&(a.A.style[nzd]=tzd,undefined)} +function VO(a,b){if(!a.a){return 0}if(a.a.Sl()==0&&b.Sl()==0){return WO(a)}if(a.a.Sl()>0&&b.Sl()!=a.a.Sl()){return a.a.Sl()}if(b.Sl()>0&&b.Sl()!=a.a.Sl()){return b.Sl()}return 0} +function l3(c,d){var e;try{return c.b.Hd(d)}catch(b){b=H8c(b);if(kvc(b,46)){e=b;try{return c.a.Hd(d)}catch(a){a=H8c(a);if(!kvc(a,46))throw I8c(a)}throw I8c(e)}else throw I8c(b)}} +function n3(c,d){var e;try{return aeb(c.b,d)}catch(b){b=H8c(b);if(kvc(b,46)){e=b;try{return i6(c.a,d)}catch(a){a=H8c(a);if(!kvc(a,46))throw I8c(a)}throw I8c(e)}else throw I8c(b)}} +function cgb(a){var b,c,d,e,f;e=new es;if(a!=null){f=Und(a,',',0);b=a.charCodeAt(0)==48?1:0;for(d=b;d=900?'warn':d>=800?'info':'log');Ewd(c,a.b)} +function m9c(){l9c={};!Array.isArray&&(Array.isArray=function(a){return Object.prototype.toString.call(a)===$xd});function b(){return (new Date).getTime()} +!Date.now&&(Date.now=b)} +function Nv(a){var b,c,d,e,f;b=false;for(d=(Lz(),vuc(quc(oAc,1),nyd,217,0,[Iz,Jz,Hz,Kz])),e=0,f=d.length;e0){return lgb(a,g.a.substr(1))}return null} +function NFb(a,b){this.d=new wFb;this.a=new WFb;this.j=new QFb(new Srd((MIb(),vuc(quc(TSc,1),nyd,304,0,[LIb,KIb]))));this.b=new BHb(b);sFb(this.d,new PFb(this));this.c=a;LFb(this)} +function kKb(a,b){if(Hnd(jJd,b)){return a.d}else if(Hnd(kJd,b)){return a.c}else if(Hnd(yHd,b)){return a.f}else if(Hnd(xHd,b)){return a.a}else if(Hnd(zHd,b)){return a.e}return null} +function RVb(a,b){var c,d,e,f,g,h,j;j=new std;for(d=(h=(new ard(a.i.a)).a.mp().Qb(),new brd(h));d.a.Rc();){c=(f=d.a.Sc(),f.yp());e=Eqd(b.b,c);!!e&&(g=j.a.pp(e,j),g==null)}return j} +function b5b(a,b){var c,d,e;e=a.c.a;for(d=new qsd(b.b.Qb());d.b.Rc();){c=d.b.Sc();if(Ex(c,E5b(e))&&c!=e){c.Ze(dsd(e.r),dsd(e.s));c.Ye((Xrd(),Xrd(),Urd));c.$e(dsd(e.u));c.Ee(a.c)}}} +function hpd(a,b){this.e=a;if(O8c(K8c(b,-4294967296),0)){this.d=1;this.a=vuc(quc(uvc,1),jyd,23,15,[d9c(b)])}else{this.d=2;this.a=vuc(quc(uvc,1),jyd,23,15,[d9c(b),d9c($8c(b,32))])}} +function Cpd(a){var b,c,d;if(L8c(a,0)>=0){c=N8c(a,_Kd);d=U8c(a,_Kd)}else{b=_8c(a,1);c=N8c(b,500000000);d=U8c(b,500000000);d=J8c(Z8c(d,1),K8c(a,1))}return Y8c(Z8c(d,32),K8c(c,SLd))} +function F1(){C1();var a,b,c,d,e;if(A1==null){e=new es;for(b=J1(),c=0,d=b.length;c\'"]');K9c=new RegExp('&','g');L9c=new RegExp('>','g');N9c=new RegExp('<','g');P9c=new RegExp("'",'g');O9c=new RegExp('"','g')} +function god(a,b){Cnd();var c,d,e,f;f=new bvd(a);for(d=0,e=b.length;d0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0))){c=J7b(new N7b(false),a);B$b(b,tD(Uac(Zac(c.d))));B$b(b,tD(Uac(Zac(c.c))))}return b.a} +function CV(a,b,c,d,e,f){var g,h,j;h=new _W((dX(),bX));if(d){g=vV(a,b,c,e,f);VW(h,g)}UW(h,IV(e,xV(a,new jX((HU(),CU),true),(j=qV(c),j.a.length==0?null:'('+fod(',',j)+')'))));return h} +function Gdb(){this.n=new is;this.p=new is;this.w=new is;this.v=new is;this.r=new is;this.o=new is;this.q=new is;this.k=new is;this.t=new is;this.u=new is;this.s=new is;this.A=new is} +function orb(a){var b,c,d,e,f;f=Vw(a.b);for(c=new qsd(dsd(f.n).b.Qb());c.b.Rc();){b=c.b.Sc();b.um((aUb(),VTb))}for(e=new qsd(dsd(f.p).b.Qb());e.b.Rc();){d=e.b.Sc();Fl(d,(tUb(),rUb))}} +function kdc(a){var b,c,d,e;d=new ltd;for(c=new qsd(dsd(a.a.p).b.Qb());c.b.Rc();){b=c.b.Sc();jdc(d,new Tac(b.c.Lh(),b.c.Ki()),new Tac(b.d.Lh(),b.d.Ki()))}e=mdc(d);return e!=0?LBd/e:1} +function zCb(a,b){var c,d,e;this.b=new Wgd;this.a=new es;Xr(this.a,a);Wr(this.a,null);c=0;for(e=b.Qb();e.Rc();){d=e.Sc();Lgd(this.b,d);++c}Lgd(this.b,'');hg(this.b,$Hd);Ugd(this.b,c)} +function iIb(a){var b,c,d,e;for(d=(e=(new ard(a.a.a)).a.mp().Qb(),new 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YEb(this);this.n=a;this.o=(aFb(),ZEb);$Eb(this.o);this.a=Rkc($doc);this.b=Rkc($doc);this.d=Rkc($doc);this.f=Rkc($doc);this.c=new tad(this.b);this.e=new tad(this.d);this.i=new tad(this.f)} +function sbc(a,b){var c,d,e,f,g;f=new es;e=new gs(b);d=a.a.length;if(d>1){g=ds(a,suc(P5c,{3:1,2398:1,4:1},725,0,7,1));Nrd(g,0,g.length,null);for(c=0;c0&&b<=126){return b>0&&b<=126?h1b[b-1].c:null}return null} +function xBb(a){var b,c;c=CEb(a.b.a);if(c==null||c.length==0||bod(c).length==0){return null}c=bod(c);if(m1b(c,true)){return 'D'}else if(o1b(c,true)){return 'T'}b=Vyb(c);i1b();if(b>0&&b<=126){return b>0&&b<=126?h1b[b-1].c:null}return null} +function yb(a,b,c){var d;owd(vb,(Uvd(),Svd))&&lwd(vb,'Checking valence for the Oxygen.');d=2-a-c;if(b==0||b==6){return dc(d)}if(b<-2||b>6){return ec()}if(b<0){return dc(b+d)}if(b==5){return dc(d-1)}if(b==2){return dc(d+2)}return dc(d+b%2)} +function ng(a,b){var c=(a.className||'').split(/\s+/);if(!c){return}var d=c[0];var e=d.length;c[0]=b;for(var 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c,d,e,f;if(b<=0.385){f=kH(a.i,a.b[a.c]);for(e=dsd(Vw(a.o).n).b.vd();e>0;--e){c=ssd(dsd(Vw(a.o).n),e-1);d=c.Lh();if($wnd.Math.abs(f.a-d.a)_ic((abd(),a.U),OHd).length){throw I8c(new lmd('From Index: 0 To Index: '+b+' Text Length: '+_ic(a.U,OHd).length))}Ckd(a.U,0,b)} +function xVb(a,b){if(Zrd(kXb(b),dsd(a.n))&&Zrd(kXb(b),dsd(a.p))){throw I8c(new bnd('Nodes of ElectronFlowArrow should be contained in the molecule'))}if(hs(a.q,b)==-1){hs(a.q,b)!=-1||Wr(a.q,b);b.c.Bm().bf(b);b.d.Bm().bf(b);b.p=a;SVb(a,new u7b)}} +function Tuc(a,b){var c,d,e,f,g;b&=63;c=a.h;d=(c&ZKd)!=0;d&&(c|=-1048576);if(b<22){g=c>>b;f=a.m>>b|c<<22-b;e=a.l>>b|a.m<<22-b}else if(b<44){g=d?YKd:0;f=c>>b-22;e=a.m>>b-22|c<<44-b}else{g=d?YKd:0;f=d?XKd:0;e=c>>b-44}return Auc(e&XKd,f&XKd,g&YKd)} +function VB(a,b){var c,d;this.a=new es;this.a.a=suc(_5c,lyd,1,0,5,1);for(d=new qsd(dsd(a.k).b.Qb());d.b.Rc();){c=d.b.Sc();!!c.c.fn()&&lsd(b,c.c.fn().b)&&Wr(this.a,new WB(true,c,c.c));!!c.a.fn()&&lsd(b,c.a.fn().b)&&Wr(this.a,new WB(false,c,c.a))}} +function aI(a){var b,c,d,e;if(a.a.b<=1){bI(a)}else{b=new y2b((WZb(),UXb));oTb(b,new Tac(SH(a,a.a.b%2==1),a.n));c=new std;c.a.pp(b,c);e=new std;d=new S2b((s6b(),m6b),a.a.c.b.c,b);e.a.pp(d,e);VH(a,new PC(a.o.i,y$b(x$b(new F$b,c),e).a));lud(a.a,b)}} +function KI(a,b){var c,d,e;if(a.i){e=Ku(a.o.i,jw(a.o.i,a.i));c=vuc(quc(tWc,1),zBd,49,0,[b,e]);if(!!e&&SI(a,e,b)&&aVb(a.o.i.C,new Srd(c))){d=new S2b((s6b(),m6b),e,b);II(a,d);Jl(a,jw(a.o.i,b.Lh()));a.a=d.c.Lh()}else b.Lh()==a.a&&zI(a,b)}a.i=b.Lh()} +function VPb(b,c,d){var e,f,g;if(!d){throw I8c(new tnd)}e=new Yqc(b.b,b.c);UPb(e);Wqc(e,'content-type',b.a.a);f=new $Pb(b,d);frc(rJd,f);e.a=f;e.e=c;try{frc(rJd,e.a);Uqc(e,e.e,e.a)}catch(a){a=H8c(a);if(kvc(a,229)){g=a;f.b.ob(g)}else throw I8c(a)}} +function OA(a,b,c){BA.call(this,a,a.C,x$b(new F$b,new Srd(vuc(quc(tWc,1),zBd,49,0,[b]))).a);if(!b){throw I8c(new bnd('Old atom cannot be null!'))}else if(!c){throw I8c(new bnd('New atom cannot be null!'))}this.c=b;this.b=c;this.a=new 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es;if(b.a.vd()!=dsd(a.n).b.vd()){f=0;for(d=new qsd(dsd(a.n).b.Qb());d.b.Rc();){c=d.b.Sc();b.a.lp(c)||Wr(h,mnd(f));++f}}e=suc(uvc,jyd,23,h.a.length,15,1);j=0;for(g=new Frd(h);g.a0){r=(Zbd(),Vkc($doc)+Ykc($doc));q=Ykc($doc);h=r-j;e=j-q;h=l&&(j-=l)}n=Wic(b.U);s=(Zbd(),Zkc($doc));o=Zkc($doc)+Ukc($doc);f=n-s;g=o-(n+b.vb());g=d?(n-=d):(n+=b.vb());Zg(a,j,n)} +function H9(a,b,c){var d,e;if(b.length>69){e=b.length/69|0;for(d=0;da.d){h=a;a=b;b=h}if(b.d<63){return qqd(a,b)}g=(a.d&-2)<<4;l=dpd(a,g);m=dpd(b,g);d=fqd(a,cpd(l,g));e=fqd(b,cpd(m,g));j=mqd(l,m);c=mqd(d,e);f=mqd(fqd(l,d),fqd(e,m));f=Xpd(Xpd(f,j),c);f=cpd(f,g);j=cpd(j,g<<1);return Xpd(Xpd(j,f),c)} +function z6(a){switch(a){case 1:return s6b(),m6b;case 2:return s6b(),h6b;case 3:return s6b(),q6b;case 4:return s6b(),f6b;case 5:return s6b(),o6b;case 6:return s6b(),n6b;case 7:return s6b(),k6b;case 8:return s6b(),e6b;default:throw I8c(new bnd((Cnd(),'Invalid bond type:'+(''+a))));}} +function l7(){l7=p9c;k7=new m7('TOTAL_H',0,(kcc(),Xbc),'H[0-9]+');g7=new m7(NDd,1,Sbc,'h[0-9]+');e7=new m7(ODd,2,Rbc,'X[0-9]+');h7=new m7(PDd,3,Ubc,'(R(\\*|[0-9]+){0,1})');i7=new m7(QDd,4,Vbc,'r[0-9]+');f7=new m7('DEGREE',5,Wbc,'D[0-9]+');j7=new m7(SBd,6,Wbc,'(s(\\*|[0-9]+){0,1})')} +function u9b(a,b,c){var d,e,f,g,h,j;if(c.a.length==0||b>=a.a.length){return}j=sbc(c,a);if(j.a.length!=0){f=new es;d=b;j.a[0].f>jBd&&(d=w9b(j.a[0],b));while(d>0){e=x9b(new Frd(j),d);if(e==d){break}d=e}for(h=new Frd(j);h.a2){return ec()}d=a.b.Nl();b==8?(e=yb(c,d,f)):(e=zb(a,c,d,f,a.f));return e}else{throw I8c(new Yc('Calling column 16 for atom number: '+b))}} +function Dib(a,b,c){var d,e,f;if(!b){return null}if(b.n.a.length==0&&b.k.a.length==0&&b.t.a.length==0&&b.u.a.length==0&&b.A.a.length==0){return '<\/MDocument><\/cml>'}d=(Jkd(),Pkd(Ikd.$o()));e=new wgb(d);f=zib(e);Lkd(d,f);vib(a,e,f,b,c);return (old(),old(),nld).bp(d)} +function Spb(a,b,c){var d,e;if(!YK(b.a.a,c)){e=new W0b(c,b.b,a.a);d=vB(uB(uB(new wB,new DD(a.c.i,A$b(new F$b,new 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Cy(c.A);for(f=b.Qb();f.Rc();){d=f.Sc();Xx(this.d,d.Me(),d.Ne())}}for(e=b.Qb();e.Rc();){d=e.Sc();Ytd(this.a,d,(qmd(),!!this.e&&U(d)==OXc&&Zr(cWb(this.e.C),d.i,0)!=-1?true:false))}} +function Zbb(a){var b,c,d,e,f,g;if(a!=null&&!Hnd(a,'0')){g=Und(a,':',0);c=g.length>1?Und(g[1],';',0):Und(g[0],';',0);f=new ltd;d=null;for(e=0;eh.c){for(f=b.Oe().Qb();f.Rc();){e=f.Sc();T(b,e.c.Bm())&&b2b(e.b)&&!Y1b(h,e.b)&&(d.a[d.a.length]=e,true)}}}return d} +function eEb(a){var b,c,d;this.b=a;this.a=new Am;zm(this.a,MGd);Of(this.a,LId);b=new ajd;Yid(b,bEb(this,false),'Acyclic');Yid(b,bEb(this,true),'Cyclic');Uid(b.b,0);c=aEb(this,vuc(quc(uXc,1),MId,57,0,[(B3b(),c3b),d3b,f3b,e3b,A3b]));d=new Bjd;En(d,(qgd(),mgd));yjd(d,b);yjd(d,c);Cg(this.a,d)} +function QW(a,b){if(b.Gl()!=null){return false}if(a.a&&b.Hl()==6&&a.b!=(sz(),qz)){return true}if(b.Ql()==0||a.b==(sz(),qz)){return false}if(a.b==(sz(),pz)&&(b.Hl()==p1b('H')||b.Hl()==p1b('C'))){return 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jq(this.d);this.b=new oHb(a);zm(this.b,'Text');this.c=new Idd(qHd);Of(this.c,FHd);pg(this.d,new pHb(this),(!Vpc&&(Vpc=new Ioc),Vpc));b=new Bjd;En(b,(qgd(),mgd));yjd(b,a);yjd(b,this.d);yjd(b,this.c);Cg(this.b,b);og(this.c,new mHb(this),(voc(),voc(),uoc))} +function Xad(b){var c=$doc.cookie;if(c&&c!=''){var d=c.split('; ');for(var e=d.length-1;e>=0;--e){var f,g;var h=d[e].indexOf('=');if(h==-1){f=d[e];g=''}else{f=d[e].substring(0,h);g=d[e].substring(h+1)}if(Vad){try{f=decodeURIComponent(f)}catch(a){}try{g=decodeURIComponent(g)}catch(a){}}b.pp(f,g)}}} +function sb(a,b){ob();var c,d,e,f,g,h;owd(nb,(Uvd(),Rvd))&&kwd(nb,'Checking valence for the 15th group.');c=a.a;if(Y(c)==15){d=a.d;e=a.b.Nl();h=a.b.Xl().c;g=a.f;if(d==6&&tb(a)){return dc(-g)}c==7?(f=qb(a,d,e,h,g,b)):(f=rb(c,d,e,h,g));return f}else{throw I8c(new Yc('Calling column 15 for atom'+c))}} +function uw(a,b){var c,d,e;d=a.a.a.f;c=(e=new es,Xr(e,dsd(b.u)),Xr(e,dsd(b.p)),Xr(e,dsd(b.s)),Xr(e,dsd(b.n)),Xr(e,dsd(b.o)),e);!!a.a.a.d&&(Xrd(),bs(c,new $9b));Rv(a.a,d,c);Rv(a.a,d,dsd(b.q));Rv(a.a,d,dsd(b.k));Rv(a.a,d,dsd(b.t));Rv(a.a,d,dsd(b.A));Sv(a.a,d,dsd(b.w));Sv(a.a,d,dsd(b.v));KS(a.a.b,d,b)} +function dab(a){var b;if(Hnd((WZb(),GXb).a,a.Il())&&Hnd('*',a.Gl())){return '*'}b=a.Il();if(n1b(a.Hl())){if(qtd((yab(),xab),b)){return 'C'}}else{if(Hnd(b,'L')){b=Rnd(a.Zl(),', ',',');if(Hnd(b.substr(0,4),'NOT[')){return Rnd(b,'NOT[','"NOT [')+'"'}return b}else if(Hnd(b,'A')){return a.Zl()}}return b} +function wpd(a,b){var c,d,e,f,g;d=b>>5;b&=31;if(d>=a.d){return a.e<0?(Nod(),Hod):(Nod(),Mod)}f=a.d-d;e=suc(uvc,jyd,23,f+1,15,1);xpd(e,f,a.a,d,b);if(a.e<0){for(c=0;c0&&a.a[c]<<32-b!=0){for(c=0;ce){d=lad(a.d.Lh(),a.c.Lh());e=$wnd.Math.atan2(d.b,d.a);if(e>=0){if(lBde){return dv(),av}return dv(),cv}return dv(),av}if(Zmd(e,0)>0){if(c==0){return dv(),av}return dv(),cv}else{if(c==0){return dv(),cv}return dv(),av}} +function nI(a,b){var 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gob('Freehand selection',(utb(),dsb),a.b,a.c));bcb(b,yHd,new gob('Electron flow single arrow',(ntb(),Yrb),a.b,a.f));bcb(b,xHd,new gob('Electron flow double arrow',(mtb(),Xrb),a.b,a.a));bcb(b,zHd,new gob('3D rotate',(Ntb(),wsb),a.b,a.e))} +function QVb(a,b){var c,d,e,f;if(Nr(b.r,dsd(a.n))&&Nr(b.s,dsd(a.p))&&Nr(b.A,dsd(a.o))&&Nr(b.t,dsd(a.q))&&Nr(b.q,dsd(a.k))&&Nr(b.w,dsd(a.t))&&Nr(b.C,dsd(a.A))&&Nr(b.u,dsd(a.s))&&Nr(b.B,dsd(a.u))){return PVb(a)}f=a.e||a.i.a.vd()!=0&&Nr(a.i,dsd(b.r));e=new B0b;c=zdb(Ndb(a,b),e);d=new JWb(c);wVb(d,c);d.e=f;f||(d.i=RVb(a,e));return d} +function Kb(){Kb=p9c;Jb=twd((Hmd(Bvc),Bvc.p));Ib=vuc(quc(uvc,2),lyd,44,0,[vuc(quc(uvc,1),jyd,23,15,[0,3]),vuc(quc(uvc,1),jyd,23,15,[0,4]),vuc(quc(uvc,1),jyd,23,15,[2,0]),vuc(quc(uvc,1),jyd,23,15,[2,2]),vuc(quc(uvc,1),jyd,23,15,[2,3]),vuc(quc(uvc,1),jyd,23,15,[4,0]),vuc(quc(uvc,1),jyd,23,15,[4,1]),vuc(quc(uvc,1),jyd,23,15,[6,0])])} +function kG(a,b){var c;if((b.a.deltaY<0?-3:3)==0){return}c=new qad(soc(b),toc(b));tlc(b.a);!!b.a&&slc(b.a);if(!!a.a.b.d&&bbc(a.a.b.d.b,c)){aw(a.a.n,new qad(0,-(b.a.deltaY<0?-3:3)*10));return}if(!!a.a.b.c&&bbc(a.a.b.c.b,c)){aw(a.a.n,new qad(-(b.a.deltaY<0?-3:3)*10,0));return}kw(a.a.n,b.a.deltaY<0?-3:3,false,new qad(soc(b),toc(b)))} +function sH(a,b){var c,d;if(!a.j||(c=vuc(quc(tWc,1),zBd,49,0,[a.d,LG(a)]),!!a.i&&!aVb(a.o.i.C,C2b(a.i))||!!a.d&&hy(Lu(a.o.i).b)&&a.d!=LG(a)&&!aVb(a.o.i.C,new Srd(c)))){return}d=b.Kf();dT(a.o.i.j,a.i).rh(d,KBd);if(!!a.d&&!lsd(dsd(a.o.i.C.n),a.d)){dT(a.o.i.j,a.d).rh(d,KBd);!!a.j&&!lsd(dsd(a.o.i.C.n),a.j)&&dT(a.o.i.j,a.j).rh(d,KBd)}} +function Nob(a){var b,c,d,e;c=false;a.c.a.Pb();if(Sx(a.b.i.A)){if(Lu(a.b.i).b){b=Bdb(Vw(a.b),Lu(a.b.i).b);for(e=new qsd(dsd(b.w).b.Qb());e.b.Rc();){d=e.b.Sc();kvc(d,189)&&(c=c|ptd(a.c,d))}}}else{b=Ndb(Vw(a.b),a.b.i.A);for(e=new qsd(dsd(b.w).b.Qb());e.b.Rc();){d=e.b.Sc();kvc(d,189)&&(c=c|ptd(a.c,d))}}ud(a,Byd,(qmd(),c?true:false))} +function Wcd(){$wnd.addEventListener(rKd,Yxd(function(a){var b=(Icd(),Ecd);if(b&&!a.relatedTarget){if('html'==a.target.tagName.toLowerCase()){var c=$doc.createEvent(SId);c.initMouseEvent(tKd,true,true,$wnd,0,a.screenX,a.screenY,a.clientX,a.clientY,a.ctrlKey,a.altKey,a.shiftKey,a.metaKey,a.button,null);b.dispatchEvent(c)}}}),true)} +function opd(a,b,c){var d,e,f,g,h,j,l,m,n,o,q,r,s,t;q=b.length;l=q;if(b.charCodeAt(0)==45){n=-1;o=1;--q}else{n=1;o=0}g=(Bpd(),Apd)[c];f=q/g|0;t=q%g;t!=0&&++f;j=suc(uvc,jyd,23,f,15,1);d=zpd[c-2];h=0;r=o+(t==0?g:t);for(s=o;s1024&&(h=true);h&&Usc(a,c);etc(a,c);gtc(a,c);Ysc(a,c,g,e);Tsc(a,c);Ssc(a,c,f);h&&Rsc(a,c);j='0'.charCodeAt(0);j!=48&&Zsc(c,j);xod(c,0,b?a.r:a.u);nod(c,b?a.s:a.v)} +function ci(a){var b,c,d;b=a.a.fc();if(b<0){return null}if((b&192)!=0||(b&31)==31){throw I8c(new bmd('Longform or not universal class'))}c=di(a);d=b&31;if((b&32)!=0){switch(d){case 16:return bi(a,c);default:throw I8c(new bmd('tag: '+d));}}else{switch(d){case 2:return fi(a.a,suc(rvc,Kzd,23,c,15,1));default:throw I8c(new bmd('tag: '+d));}}} +function tC(a){var b,c,d,e,f,g,h,j;j=new std;Lr(j,a.k);e=x$b(new F$b,new ard(a.a)).a;Lr(j,dsd(Bdb(a.e,e).w));for(c=(f=(new drd(a.a)).a.mp().Qb(),new erd(f));c.a.Rc();){b=(d=c.a.Sc(),d.Ok());for(h=new qsd(dsd(a.e.w).b.Qb());h.b.Rc();){g=h.b.Sc();if(Ex(g,b)){if(!W5b(g)||!S5b(g,b)){j.a.pp(g,j);break}if(qC(a,b)){j.a.pp(g,j);break}}}}return j} +function eqd(a,b,c,d,e){var f,g;f=0;if(c$wnd.Math.abs(j)+gv){l.a.Pb();l.a.pp(b,l);f=$wnd.Math.abs(j)}else $wnd.Math.abs(f-$wnd.Math.abs(j))0){e=0;for(f=0;f1){d=e8b(f);_r(f,d);if(Zr(g,d,0)==-1){g.a[g.a.length]=d;e=false;h.a=suc(_5c,lyd,1,0,5,1);for(c=new Frd(f);c.a0&&c<=8&&c%2==0){for(m=0;m0?g.a.substr(1):null);eld(o.a.f,KAd,d);chb(a.a.f,NEd,d);return dld(o.a.f,WDd)} +function eeb(a,b){var c,d;d=beb(a,b);c=new jld(yld(d.a,UDd));if(zld(c.a)==0){if(!(Ild(d.a)&&Tr(new Srd((Oab(),Nab)),Gld(Pkd(xld(d.a)).a))!=-1)){throw I8c(new vqd("One of '{MDocument, cml}' is expected."))}if($db(d,vuc(quc(g6c,1),eyd,2,6,[VDd,WEd]))){throw I8c(new vqd('The given source may be a CML. MRV importer does not support it.'))}}return c} +function vhb(a){var b,c,d,e,f,g,h,j,l,m;for(l=new Frd(a.k);l.ac-b){b=j;c=l}j=l}j=j-kBd;if(g-j>c-b){b=j;c=g}return new qad(b,c)} +function Qz(a,b,c,d){var e,f,g,h,j,l,m,n,o,q;if(!!a.a&&!(dsd(d.r).a.sd()&&dsd(d.s).a.sd())){l=dsd(d.s);for(j=new qsd(l.b.Qb());j.b.Rc();){h=j.b.Sc();n=jw(b,h.c.Lh());o=jw(b,h.d.Lh());HHb(c,Oz(a,a.a),vuc(quc(T1c,1),tBd,5,0,[n,o]))}g=dsd(d.r);q=b.j;for(f=new qsd(g.b.Qb());f.b.Rc();){e=f.b.Sc();m=dT(q,e).Jh();GHb(c,m,OOb(a.a)*10,true,Pz(a.a,a.b))}}} +function Axd(a,b,c,d,e,f,g){var h,j,l,m,n;j=f?a.c:a.a;if(g){for(m=yxd(Bqd(ztd(j.d,c)),d),l=m;l>=1;l--){h=wxd(l,e);n=Bxd(b,j,c,d,h);if(!n){h=Gxd(b,h);n=Bxd(b,j,c,d,h)}if(n){return n}}}else{n=Bxd(b,j,c,d,e);if(!n){e=Gxd(b,e);n=Bxd(b,j,c,d,e)}if(n){return n}}throw I8c(new nQb("Can't find exported method for given arguments: "+d+':'+e.length+oyd+''))} +function N_(a,b,c,d){var e,f,g,h,j,l,m,n;j=new vT(false,10*c*a.a,true,d);b.ci()?(e=new X$(b.ci(),j)):(e=new P$(b.ei().a,b.ei().b,10*c*a.a,new xT(true,d)));f=b.gi();h=new HS(vuc(quc(nFc,1),nBd,106,0,[e]));for(m=0,n=f.length;m3){return ec()}if(c+d>5){return ec()}if(c<=0&&$wnd.Math.abs(c)+d>3){return ec()}if(c==0&&b-e+d>=4){h=(a.i||Ac(a),a.n);if(h>=1){return ub(h,b,d,f)}}return owd(nb,Svd)&&lwd(nb,'SetValenceOfN method called.'),dc(3-b+g-d)} +function Qb(a){Pb();var b,c,d,e,f;owd(Ob,(Uvd(),Rvd))&&kwd(Ob,'Checking valence for the 2nd group.');b=a.a;if(Y(b)==2){c=a.d;d=a.b.Nl();f=a.b.Xl().c;if(c==0&&d==0&&f==0){e=0}else if(d<0){return ec()}else if(c==0||c==2){e=2-c-f-d}else if(c==1&&d==1){e=1-f-1}else{return ec()}return dc(e)}else{throw I8c(new Yc('Calling column 2 for atom number: '+b))}} +function MC(a){var b,c,d,e,f,g;b=new es;for(d=new qsd(dsd(a.c.a.p).b.Qb());d.b.Rc();){c=d.b.Sc();for(f=new qsd(dsd(a.o.C.q).b.Qb());f.b.Rc();){e=f.b.Sc();g=lXb(e);Zr(g,c.c,0)!=-1&&Zr(g,c.d,0)!=-1&&((e.a?e.a.a:(vXb(),uXb))==(vXb(),rXb)?(b.a[b.a.length]=e,true):!!e.a&&Zr(C2b(c),e.a.b,0)!=-1&&Zr(C2b(c),e.a.c,0)!=-1&&(b.a[b.a.length]=e,true))}}return b} +function aK(a){var b,c,d,e,f,g,h,j,l,m;d=dT(a.d.j,a.a).b.c;if(!d||d.sd()){return Xrd(),Xrd(),Urd}l=new gs(d);b=eK(a);m=new std;c=a.a.Xl().c;for(h=b.Qb();h.Rc();){f=h.Sc();if(a.b){ptd(m,mnd(f.a*2+c));ptd(m,mnd(f.a*2+1+c))}else{ptd(m,mnd(f.a+c))}}for(g=(j=(new ard(m.a)).a.mp().Qb(),new brd(j));g.a.Rc();){f=(e=g.a.Sc(),e.yp());_r(l,d.zd(f.a))}return l} +function S6(a,b){var c,d,e;e=new E7;while((c=q7(b))!=null){if(Hnd(c.substr(0,3),'A ')){n6(a,(h5(),d=bod(c.substr(3,3)),d.length==0?0:Xmd(d,10)),q7(b))}else{!b7&&(b7=new d7);if(c7(b7,a,c)||F6(a,c)||E6(a,c));else if(Hnd(c.substr(0,4),'M S')||Hnd(c.substr(0,10),IDd)||Hnd(c.substr(0,10),JDd)){v7(e,c)}else if(Hnd(c.substr(0,6),kAd)){break}}}return e.a} +function T8(a){var 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f,g,h,j,l,m,n,o,q;n=suc(j6c,lyd,50,8,0,1);o=a;n[0]=b;q=Ppd(b,b,d,e);for(h=1;h<=7;h++){n[h]=Ppd(n[h-1],q,d,e)}for(g=qpd(c)-1;g>=0;g--){if((c.a[g>>5]&1<<(g&31))!=0){m=1;f=g;for(l=$wnd.Math.max(g-3,0);l<=g-1;l++){if((c.a[l>>5]&1<<(l&31))!=0){if(l>1],o,d,e);g=f}else{o=Ppd(o,o,d,e)}}return o} +function mb(a){ib();var b,c,d,e,f,g,h,j;owd(hb,(Uvd(),Rvd))&&kwd(hb,'Checking valence for the 14th group.');c=a.a;if(Y(c)==14){d=a.d;h=a.b.Xl().c;e=a.b.Nl();b=$wnd.Math.abs(e);if(b>4||h>3){return ec()}j=d+b+h;f=4-j;switch(c){case 6:case 14:case 32:return dc(f);case 50:return lb(a,j,e,h,d-a.f);default:g=a.f;return kb(e,h,j,d==0,g);}}else{throw I8c(new Yc('Calling column 14 for atom number: '+c))}} +function vcb(a){var b,c,d,e,f,g,h,j,l,m,n,o,q;l=(f=kld(a.So(),IEd),f?Dld(f.a):null);m=(g=kld(a.So(),JEd),g?Dld(g.a):null);c=(h=kld(a.So(),KEd),h?Dld(h.a):null);o=null;d=null;b=ieb(a,LEd);if(b){o=ucb(meb(b));c=(j=kld(new lld(uld(b.a)),KEd),j?Dld(j.a):null);d=(e=kld(new lld(uld(b.a)),MEd),e?Dld(e.a):null)}n=ycb(new zcb,l,m,o,c,d);q=(s6b(),h6b)==n&&d!=null&&d.indexOf('CARE')!=-1;return new Acb(n,q)} +function U3(b){var c,d,e;if(Hnd(b.substr(0,6),'"NOT [')&&(e=']"'.length,Hnd(b.substr(b.length-e,e),']"'))){c=new ETb(false,T3(Xnd(b,6,b.length-2)))}else if(Hnd(b.substr(0,1),'[')&&(d=']'.length,Hnd(b.substr(b.length-d,d),']'))){c=new ETb(true,T3(Xnd(b,1,b.length-1)))}else{try{c=jUb(b)}catch(a){a=H8c(a);if(kvc(a,20)){c=(eTb(),Y_b(),Gqd(X_b,b)?new E1b($_b(b)):new G1b(b))}else throw I8c(a)}}return c} +function I8(){if(!B8){B8=new _td;Ytd(B8,mnd(119),'*');Ytd(B8,mnd(120),'!#1!#6');Ytd(B8,mnd(122),'F,Cl,Br,I');Ytd(B8,mnd(121),'!#1!#2!#5!#6!#7!#8!#9!#10!#14!#15!#16!#17!#18!#33!#34!#35!#36!#52!#53!#54!#85!#86');Ytd(B8,mnd(123),'*,#1');Ytd(B8,mnd(124),'#1,!#6');Ytd(B8,mnd(125),'!#2!#5!#6!#7!#8!#9!#10!#14!#15!#16!#17!#18!#33!#34!#35!#36!#52!#53!#54!#85!#86');Ytd(B8,mnd(126),'F,Cl,Br,I,#1')}return B8} +function Euc(a,b,c,d,e,f){var g,h,j,l,m,n,o;l=Huc(b)-Huc(a);g=Suc(b,l);j=Auc(0,0,0);while(l>=0){h=Kuc(a,g);if(h){l<22?(j.l|=1<>>1;g.m=m>>>1|(n&1)<<21;g.l=o>>>1|(m&1)<<21;--l}c&&Guc(j);if(f){if(d){xuc=Quc(a);e&&(xuc=Vuc(xuc,(cvc(),avc)))}else{xuc=Auc(a.l,a.m,a.h)}}return j} +function $jb(a,b){Zjb(a,(kA(),eA),(DOb(),'clean2dws' in b?LOb(b['clean2dws']):(null,COb)));Zjb(a,fA,'clean3dws' in b?LOb(b['clean3dws']):(null,COb));Zjb(a,hA,vFd in b?LOb(b[vFd]):(null,COb));Zjb(a,iA,wFd in b?LOb(b[wFd]):(null,COb));Zjb(a,jA,xFd in b?LOb(b[xFd]):(null,COb));Zjb(a,gA,yFd in b?LOb(b[yFd]):(null,COb));Zjb(a,dA,zFd in b?LOb(b[zFd]):(null,COb));Zjb(a,cA,AFd in b?LOb(b[AFd]):(null,COb))} +function IM(a){var b,c,d,e,f,g,h,j;for(c=new Frd(Ix(a));c.a0?le){HHb(b.Kf(),a.j,vuc(quc(T1c,1),tBd,5,0,[new qad(l,0),new qad(l,5)]));g=new p0((pR(),mR),(NT(),HT),true);b.Kf().tf(new qad(l,10),''+e9c(P8c($wnd.Math.round(j%kBd*$Bd)))+UAd,_Bd,g);h=d>0?1:-1;f=h*15;while($wnd.Math.abs(d*15)>$wnd.Math.abs(f)){HHb(b.Kf(),a.i,vuc(quc(T1c,1),tBd,5,0,[new qad(l+f,0),new qad(l+f,2.5)]));f+=h*15}l+=d*15;j+=ZBd*d}} +function lM(a,b,c,d,e){var f,g,h,j,l;j=0;l=c;while(d>0?le){HHb(b.Kf(),a.j,vuc(quc(T1c,1),tBd,5,0,[new qad(0,l),new qad(5,l)]));g=new p0((pR(),kR),(NT(),HT),true);b.Kf().tf(new qad(10,l),''+e9c(P8c($wnd.Math.round(j%kBd*$Bd)))+UAd,_Bd,g);h=d>0?1:-1;f=h*15;while($wnd.Math.abs(d*15)>$wnd.Math.abs(f)){HHb(b.Kf(),a.i,vuc(quc(T1c,1),tBd,5,0,[new qad(0,l+f),new qad(2.5,l+f)]));f+=h*15}l+=d*15;j+=ZBd*d}} +function DP(a){var b,c,d,e;c=a.b.Kl()==1?CP(lad(kH(a.b.Lh(),lad(a.b.Lh(),E2b(a.b.Jl(0),a.b).Lh())),a.b.Lh())):CP(lad(E9b(a.b),a.b.Lh()));if(!a.p||dT(a.o.i.j,a.b).dg(a.p)){return c}b=CP(lad(tac(a.b.Lh(),gw(a.o.i,a.p),LBd),a.b.Lh()));if((d=(kBd+c%kBd)%kBd,e=(kBd+b%kBd)%kBd,$wnd.Math.min($wnd.Math.abs(d-e),$wnd.Math.abs($wnd.Math.max(d,e)-($wnd.Math.min(d,e)+kBd))))<0.20943951023931953){return c}return b} +function Ped(a,b,c){var d,e,f,g;this.d=a;this.b=b;this.a=new Bgd(b.a);e=(abd(),Okc($doc));f=Lkc($doc);g=Nkc($doc);d=Mkc($doc);this.c=Mkc($doc);_f(this,e);Lic(e,lbd(f));Lic(f,lbd(g));Lic(g,lbd(d));Lic(g,lbd(this.c));d['align']=KAd;d[sFd]=LAd;d.style[ezd]=zgd(this.a)+dzd;Lic(d,lbd(Rf(this.a)));kjc(this.c,c);pg(a,this,(!cqc&&(cqc=new Ioc),cqc));pg(a,this,_pc?_pc:(_pc=new Ioc));Qed(this.b,this.d.c,this.a)} +function Db(a){var b,c,d,e,f,g,h;owd(Bb,(Uvd(),Svd))&&lwd(Bb,'Checking valence for the halogens without radical and charge.');h=-1;c=a.a;b=a.d;g=b-a.f;if(g==0){h=1-a.f}else if(g==1){h=-a.f}else if((g==3||g==5)&&Gb(a)){h=-a.f}else if(g==7){if(c==53){d=zc(a.k,a.b,9,(ld(),gd));d==7&&(h=-a.f)}if(c>9){f=(a.i||Ac(a),a.o);e=(a.i||Ac(a),a.n);f==1&&e==3&&(h=-a.f);c==53&&f==5&&e==1&&(h=-a.f)}}else{h=1-b}return h} +function tA(a){var b,c,d,e,f,g,h,j,l;Lqd(a.d);for(h=new qsd(dsd(a.c.C.v).b.Qb());h.b.Rc();){g=h.b.Sc();if(g!=a.b){f=new By;for(c=new qsd(dsd(a.a.r).b.Qb());c.b.Rc();){b=c.b.Sc();Ex(g,b)&&mx(f,b)}for(e=new qsd(dsd(a.a.s).b.Qb());e.b.Rc();){d=e.b.Sc();Ex(g,d)&&nx(f,d)}for(l=new qsd(dsd(a.a.A).b.Qb());l.b.Rc();){j=l.b.Sc();Ex(g,j)&&tx(f,j)}dsd(f.A).b.vd()+dsd(f.r).b.vd()+dsd(f.s).b.vd()!=0&&Hqd(a.d,g,f)}}} +function hC(a,b){var c,d,e,f,g;c=b.c;d=b.d;if(Cqd(a.a,c)&&Cqd(a.a,d)){e=Eqd(a.a,c);g=Eqd(a.a,d);if(Zrd(e.Ml(),g.Ml())){f=new S2b(b.o,e,g);M2b(f,F2b(b));Wr(a.c,f)}}else if(Cqd(a.a,c)){if(!oC(d,Eqd(a.a,c))&&pvc(d)!==pvc(Eqd(a.a,c))){f=new S2b(b.o,Eqd(a.a,c),d);M2b(f,F2b(b));Wr(a.c,f)}}else if(Cqd(a.a,d)){if(!oC(c,Eqd(a.a,d))&&pvc(c)!==pvc(Eqd(a.a,d))){f=new S2b(b.o,c,Eqd(a.a,d));M2b(f,F2b(b));Wr(a.c,f)}}} +function g4(a,b,c){var d,e,f,g,h,j,l;f=f4(a);if(c.length==0){j=a.e.a.get('PARENT');j!=null&&O4(b,f,Xmd(j,10))}else if(c.length>2){g=i4(b,c);l=L4(b,g);if(l){l.n=_0b(f,l.n);return null}l=_1(g);l.n=_0b(f,l.n);return l}else if(c.length==1){J4(b,Xmd(c[0],10)).Hi(f)}else if(c.length==2){d=J4(b,Xmd(c[0],10));h=J4(b,Xmd(c[1],10));e=h4(b,new Srd(vuc(quc(tWc,1),zBd,49,0,[d,h])));!!e&&(e.b=_0b(f,e.b))}return null} +function Yab(){Yab=p9c;Wab=new Zab('TOTAL_H',0,(kcc(),Xbc),'H','^H[0-9]+$');Qab=new Zab(ODd,1,Rbc,'X','^X[0-9]+$');Tab=new Zab(PDd,2,Ubc,'R','^R[0-9]+$');Rab=new Zab(NDd,3,Sbc,'h','^h[0-9]+$');Uab=new Zab(QDd,4,Vbc,'r','^r[0-9]+$');Sab=new Zab('RING_BOND',5,Tbc,'rb','^rb(\\*|[0-9]+)$');Vab=new Zab(SBd,6,Wbc,'s','^(s)(\\*|[0-9]+)$');Xab=new Zab(RBd,7,Ybc,'u','^u1$');Pab=new Zab(wyd,8,Pbc,'a','^a[0-1]$')} +function zrc(a,b,c){var d,e,f,g;if(b[0]>=a.length){c.p=0;return true}switch(a.charCodeAt(b[0])){case 43:e=1;break;case 45:e=-1;break;default:c.p=0;return true;}++b[0];f=b[0];g=xrc(a,b);if(g==0&&b[0]==f){return false}if(b[0]=49&&(h5(),g=bod(f.substr(46,3)),1==(g.length==0?0:Xmd(g,10)))&&Wr(c.a,d);return d}catch(a){a=H8c(a);if(kvc(a,469)){throw I8c(new vqd('Too short line in atom block: '+f))}else if(kvc(a,20)){e=a;throw I8c(new vqd('Parsing atom line failed ['+f+']:'+e.i))}else throw I8c(a)}} +function KJb(a,b,c){var d,e,f,g;e=(g=new qad(20*a.e.b,-(20*a.e.b)),kH(new qad(c.a*g.a,c.b*g.b),kH(new qad(a.d.a.p.Un().width/2,a.d.a.p.Un().height/2),a.c)));d=a.e.b;iKb(a.e,b);a.c=mad(iad(a.c,new qad(d,d)),new qad(a.e.b,a.e.b));if(a.e.b!=d){a.c=kH(a.c,lad(e,(f=new qad(20*a.e.b,-(20*a.e.b)),kH(new qad(c.a*f.a,c.b*f.b),kH(new qad(a.d.a.p.Un().width/2,a.d.a.p.Un().height/2),a.c)))));return true}return false} +function $K(a,b){var c,d,e,f,g,h,j;h=hx(Lu(a.o.i));if(dL(cWb(a.o.i.C),dsd(h.r))){j=new gs(cWb(a.o.i.C));Pr(j,dsd(hx(Lu(a.o.i)).r));_K(a,b,j);return}if(!VK(a,dsd(h.r))||!eL(dsd(h.r))){_K(a,b,dsd(h.r));return}if(dsd(h.r).b.vd()>1&&!dsd(h.u).a.sd()){g=cL(h);if(g){WK(a,dsd(h.u).a.zd(0),g,b);return}}e=bL(dsd(h.r),a.a);f=b.Kf();if(e){for(d=new qsd(dsd(e.u).b.Qb());d.b.Rc();){c=d.b.Sc();dT(a.o.i.j,c).rh(f,KBd)}}} +function M_(a,b,c){var d,e,f,g,h,j;h=new es;j=iw(b,c.e);Wr(h,(V8b(),U8b)==c.b?new G$(new vT(false,10*a.a,true,a.b),j):new $$(new qad(j.b.a+j.c/2,j.b.b+j.a/2),j.c*0.5,j.a*0.5,new vT(false,10*a.a,true,a.b)));for(e=(P8b(),vuc(quc(zYc,1),nyd,155,0,[N8b,O8b,J8b,I8b,M8b,L8b,H8b,K8b])),f=0,g=e.length;f3||f+d>3?ec():d==0&&f==0?dc(0):d!=0&&f==0?d!=2?dc(0):ec():f!=0?dc(3-f-d):ec():d>=-1?dc(3-c-d-f):ec()));return e}else{throw I8c(new Yc('Calling column 13 for atom'+b))}} +function c0b(a,b){var c,d,e,f,g,h,j,l,m,n;l=new es;j=new es;m=new es;for(d=new qsd(dsd(a.r).b.Qb());d.b.Rc();){c=d.b.Sc();n=c.El(b);Zr(j,n,0)!=-1||(j.a[j.a.length]=n,true)}for(h=new qsd(dsd(a.s).b.Qb());h.b.Rc();){g=h.b.Sc();n=B2b(g,b);Zr(l,n,0)!=-1||(l.a[l.a.length]=n,true)}for(f=new qsd(dsd(a.A).b.Qb());f.b.Rc();){e=f.b.Sc();n=K3b(e,b);Zr(m,n,0)!=-1||(m.a[m.a.length]=n,true)}return C$b(y$b(x$b(new F$b,j),l),m).a} +function zub(a,b){var c,d,e,f,g;Gub(a);d=Tub(b,a.d);g=a.b.i;f=hx((!g.s&&(g.s=new fx(g)),g.s.a));c=dsd(f.r).b.vd()+dsd(f.s).b.vd()+dsd(f.A).b.vd()+dsd(f.t).b.vd()+dsd(f.q).b.vd()+dsd(f.w).b.vd()+dsd(f.C).b.vd()+dsd(f.B).b.vd()+dsd(f.u).b.vd()==1&&!dsd(f.r).a.sd()?dsd(f.r).a.zd(0):null;if(d!=null){Hub(a,c,d)}else{if(c){e=dT(g.j,c);if(e){Fub(a,b,e.Jh(),c,(Nv(g)&&Uv(g),pw(g.e,c)));return}}Fub(a,b,a.b.a.p,c,(Z0b(),Y0b))}} +function Vwb(a,b){var c,d;if(!a.a&&!Sx(a.b.i.A)){d=a.b.i.A;if(Nr(d.r,dsd(b.r))&&Nr(d.s,dsd(b.s))&&Nr(d.A,dsd(b.A))&&Nr(d.t,dsd(b.t))&&Nr(d.q,dsd(b.q))&&Nr(d.w,dsd(b.w))&&Nr(d.C,dsd(b.C))&&Nr(d.u,dsd(b.u))&&Nr(d.B,dsd(b.B))){c=new Cy(d);Wx(c,b);return !(dsd(c.r).a.sd()&&dsd(c.s).a.sd()&&dsd(c.A).a.sd()&&dsd(c.t).a.sd()&&dsd(c.q).a.sd()&&dsd(c.w).a.sd()&&dsd(c.B).a.sd()&&dsd(c.u).a.sd()&&dsd(c.C).a.sd())}}return false} +function Nbb(a){var b,c,d,e;d=Sbb(a);if(d!=null){if(Hnd(d.substr(0,1),'L')){return Pbb(d.substr(1),a)}if(Hnd(d,'A')||Hnd(d,'Q')){return Rbb(d,a)}}if(a.Fj(mEd)){c=a.Cj(mEd);if(Tbb(c,vuc(quc(PWc,1),nyd,18,0,[(WZb(),IYb),OZb,GXb,hZb,LYb,QZb]))){if(Tbb(c,vuc(quc(PWc,1),nyd,18,0,[IYb,OZb,GXb,hZb,LYb,QZb]))){return Rbb(c,a)}}b=(eTb(),Y_b(),Gqd(X_b,c)?new E1b($_b(c)):new G1b(c));Mbb(b,a);return b}e=a.Cj(lEd);return Obb(e,a)} +function bub(){bub=p9c;Msb=new bl(rGd,(Z9c(),new U9c('data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCI+PHBhdGggZmlsbD0ibm9uZSIgZD0iTTAgMGgyNHYyNEgweiIgZGF0YS1uYW1lPSJUcmltIEFyZWEiLz48cGF0aCBkPSJNMTEuNzUgNC41YTcuOTMgNy45MyAwIDAgMC00LjA4IDEuMTNMNi4yNSAzLjVsLTIgNmg2TDguNzggNy4yOWE2IDYgMCAxIDEgMyAxMS4yMXYyYTggOCAwIDAgMCAwLTE2eiIgZmlsbD0iIzUwNTA1MCIvPjwvc3ZnPg==')))} +function RP(a,b,c){var d,e,f,g,h,j,l;!!a.c&&WP(a);d=b.c.Lh();if(pP(a.b.a[0])==c){l=lad(b.c.Lh(),a.b.a[0].a.c.Lh());g=lad(b.d.Lh(),b.c.Lh());h=lad(a.b.a[0].a.d.Lh(),a.b.a[0].a.c.Lh());e=$wnd.Math.atan2(g.b,g.a);f=$wnd.Math.atan2(h.b,h.a);j=e-f}else{l=lad(b.c.Lh(),a.b.a[0].a.d.Lh());g=lad(b.d.Lh(),b.c.Lh());h=lad(a.b.a[0].a.c.Lh(),a.b.a[0].a.d.Lh());e=$wnd.Math.atan2(g.b,g.a);f=$wnd.Math.atan2(h.b,h.a);j=e-f}_P(a,d,l,j)} +function NT(){NT=p9c;DT=new OT('DEFAULT_ABSOLUTE',0,12,true);ET=new OT('DEFAULT_RELATIVE',1,12,false);JT=new OT('SMALLER_ABSOLUTE',2,8,true);KT=new OT('SMALLER_RELATIVE',3,8,false);LT=new OT('SMALL_ABSOLUTE',4,9.2,true);MT=new OT('SMALL_RELATIVE',5,9.2,false);IT=new OT('MIDDLE_RELATIVE',6,10.49,false);HT=new OT('MIDDLE_ABSOLUTE',7,10.49,true);FT=new OT('LARGE_ABSOLUTE',8,20,true);GT=new OT('LARGE_RELATIVE',9,20,false)} +function znd(){znd=p9c;var a;vnd=vuc(quc(uvc,1),jyd,23,15,[-1,-1,30,19,15,13,11,11,10,9,9,8,8,8,8,7,7,7,7,7,7,7,6,6,6,6,6,6,6,6,6,6,6,6,6,6,5]);wnd=suc(uvc,jyd,23,37,15,1);xnd=vuc(quc(uvc,1),jyd,23,15,[-1,-1,63,40,32,28,25,23,21,20,19,19,18,18,17,17,16,16,16,15,15,15,15,14,14,14,14,14,14,13,13,13,13,13,13,13,13]);ynd=suc(vvc,fyd,23,37,14,1);for(a=2;a<=36;a++){wnd[a]=qvc($wnd.Math.pow(a,vnd[a]));ynd[a]=N8c(IBd,wnd[a])}} +function Zpd(a,b,c,d,e){var f,g;f=J8c(K8c(b[0],SLd),K8c(d[0],SLd));a[0]=d9c(f);f=$8c(f,32);if(c>=e){for(g=1;g0||ckBd)&&R9b(b,kH(a.b,new qad(a.d,0))),cQBd&&R9b(b,kH(a.b,new qad(0,a.d))),cjBd&&R9b(b,kH(a.b,new qad(-a.d,0))),c<$Cd&&e>$Cd&&R9b(b,kH(a.b,new qad(0,-a.d))),R9b(b,kH(a.b,new qad($wnd.Math.cos(c)*a.d,$wnd.Math.sin(c)*a.d))),R9b(b,kH(a.b,new qad($wnd.Math.cos(e)*a.d,$wnd.Math.sin(e)*a.d))),b} +function yrb(){yrb=p9c;vrb=new F9c('chiralFlag',(Z9c(),new 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Bjd;En(d,(qgd(),mgd));yjd(d,c);yjd(d,this.a);yjd(d,this.d);Cg(this.c,d);og(this.e,new qEb(this),(_oc(),_oc(),$oc));og(this.d,new rEb(this),(voc(),voc(),uoc))} +function g0(a){var b,c,d,e,f,g,h;e=new vT(false,13,true,gCd);a.ci()?(b=new X$(a.ci(),e)):(b=new P$(a.ei().a,a.ei().b,13,(QQ(),PQ)));c=a.gi();d=new HS(vuc(quc(nFc,1),nBd,106,0,[b]));for(g=0,h=c.length;g0&&_hb(b,NEd,j.a.substr(1));d!=(bjb(),Yib)&&!d1b(c.n).sd()&&Zhb(b,(o=d1b(c.n),o.sd()||Q0((P0(),K0))?o:new Srd(vuc(quc(WYc,1),lyd,176,0,[o.zd(0)]))).Qb(),c.Lh());return b} +function fy(a,b){return b.Me().vd()==dsd(a.r).b.vd()&&b.Ne().vd()==dsd(a.s).b.vd()&&b.Re().vd()==dsd(a.A).b.vd()&&b.Oe().vd()==dsd(a.t).b.vd()&&b.Le().vd()==dsd(a.q).b.vd()&&b.Qe().vd()==dsd(a.w).b.vd()&&b.Te().vd()==dsd(a.C).b.vd()&&dsd(a.u).b.vd()==b.Pe().vd()&&b.Se().vd()==dsd(a.B).b.vd()&&Nr(a.r,b.Me())&&Nr(a.s,b.Ne())&&Nr(a.A,b.Re())&&Nr(a.t,b.Oe())&&Nr(a.q,b.Le())&&Nr(a.w,b.Qe())&&Nr(a.C,b.Te())&&Nr(a.u,b.Pe())&&Nr(a.B,b.Se())} +function tP(a,b){var c,d,e,f,g,h,j,l,m,n;a.c.a=suc(_5c,lyd,1,0,5,1);j=new jud;for(d=(n=b.a.mp().Qb(),new erd(n));d.a.Rc();){c=(l=d.a.Sc(),l.Ok());e=false;for(h=c.Ml().Qb();h.Rc();){f=h.Sc();if(crd(b,E2b(f,c))){j.a.pp(f,j);e=true}}e||Wr(a.c,new T$(jw(a.f,c.Lh()),6,a.d))}for(g=(m=(new ard(j.a)).a.mp().Qb(),new brd(m));g.a.Rc();){f=(l=g.a.Sc(),l.yp());Wr(a.c,new P$(jw(a.f,f.c.Lh()),jw(a.f,f.d.Lh()),10,a.d))}a.a=2.001;a.b=0.1;iS(a.e,50)} +function Xb(a){var b,c,d,e,f,g,h,j,l,m;d=a.b;h=a.f;j=d.Xl().c;l=a.c[1];e=a.c[2];m=a.c[3];c=a.c[4];f=(b=a.c[4],a.d+b+(b/2|0)+j-h);owd(Tb,(Uvd(),Rvd))&&kwd(Tb,'Nitrogenlike atom.');if(j>1||m!=0||f>5){return ec()}if(c==2){if(f==3){g=h>1?-h:0;return dc(g)}else if(f==4||f==5&&l==0){return dc(-h)}}else if(c==3&&f==4){g=-h;return dc(g)}else if(c==1){if(f==1){return dc(2-h)}else if(f>1&&f<4||f==4&&e==1||f==5&&l==0){return dc(-h)}}return ec()} +function Cab(a,b,c){var d,e,f,g,h,j,l,m;l=new yod;g=j8(a,c);j=0;for(h=0;h0;break;case 2:++a.k;a.j=true;break;case 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ppd(a9c(c,d))}e=f!=h?f>h?1:-1:$pd(a.a,b.a,f);if(e==-1){n=-j;m=g==j?gqd(b.a,h,a.a,f):Ypd(b.a,h,a.a,f)}else{n=g;if(g==j){if(e==0){return Nod(),Mod}m=gqd(a.a,f,b.a,h)}else{m=Ypd(a.a,f,b.a,h)}}l=new gpd(n,m.length,m);Qod(l);return l} +function rb(a,b,c,d,e){var f,g,h,j;owd(nb,(Uvd(),Svd))&&lwd(nb,'Checking valence for the P, As, Sb, Bi.');if(c>5||c<-3){return ec()}if(d>3){return ec()}else if(c>0&&c+d>5){return ec()}else if(c<=0&&$wnd.Math.abs(c)+d>3){return ec()}if(a==83&&b==0&&c==0&&d==0&&e==0){return dc(0)}else if(c==3&&a!=15&&b==0&&d==0&&e==0){return dc(0)}g=(b+d<=3||c==0&&b+d-e<=3?(f=b+d+2):(f=b+d),f);j=c==0?0:(b<=3&&c>0?(h=c-2):(h=$wnd.Math.abs(c)),h);return dc(5-g-j)} +function ne(a,b){if(b!=null){if(b){Yic(Wdd(a.o)).indexOf(Ryd)!=-1||Xdd(a.o,Ryd+Yic(Wdd(a.o))+Syd);Yic(Wdd((!a.f&&Fl(a,new $dd(a,a.o,Qyd,1)),a.f))).indexOf(Ryd)!=-1||Xdd((!a.f&&Fl(a,new $dd(a,a.o,Qyd,1)),a.f),Ryd+Yic(Wdd((!a.f&&Fl(a,new 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c=(a.__eventBits||0)^b;a.__eventBits=b;if(!c)return;c&1&&(a.onclick=b&1?Gcd:null);c&2&&(a.ondblclick=b&2?Gcd:null);c&4&&(a.onmousedown=b&4?Gcd:null);c&8&&(a.onmouseup=b&8?Gcd:null);c&16&&(a.onmouseover=b&16?Gcd:null);c&32&&(a.onmouseout=b&32?Gcd:null);c&64&&(a.onmousemove=b&64?Gcd:null);c&128&&(a.onkeydown=b&128?Gcd:null);c&256&&(a.onkeypress=b&256?Gcd:null);c&512&&(a.onkeyup=b&512?Gcd:null);c&1024&&(a.onchange=b&1024?Gcd:null);c&wzd&&(a.onfocus=b&wzd?Gcd:null);c&4096&&(a.onblur=b&4096?Gcd:null);c&8192&&(a.onlosecapture=b&8192?Gcd:null);c&16384&&(a.onscroll=b&16384?Gcd:null);c&32768&&(a.onload=b&32768?Hcd:null);c&gyd&&(a.onerror=b&gyd?Gcd:null);c&eLd&&(a.onmousewheel=b&eLd?Gcd:null);c&262144&&(a.oncontextmenu=b&262144?Gcd:null);c&ZKd&&(a.onpaste=b&ZKd?Gcd:null);c&uzd&&(a.ontouchstart=b&uzd?Gcd:null);c&fLd&&(a.ontouchmove=b&fLd?Gcd:null);c&vzd&&(a.ontouchend=b&vzd?Gcd:null);c&8388608&&(a.ontouchcancel=b&8388608?Gcd:null);c&gLd&&(a.ongesturestart=b&gLd?Gcd:null);c&hLd&&(a.ongesturechange=b&hLd?Gcd:null);c&iLd&&(a.ongestureend=b&iLd?Gcd:null)} 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C3b('ALKENYL',13,'AEL');X2b=new C3b('ALKENYL_OR_H',14,'AEH');s3b=new C3b('HETEROACYCLIC',15,'AHC');t3b=new C3b('HETEROACYCLIC_OR_H',16,'AHH');Y2b=new C3b('ALKOXY',17,'AOX');Z2b=new C3b('ALKOXY_OR_H',18,'AOH');m3b=new C3b('CYCLIC',19,'CYC');n3b=new C3b('CYCLIC_OR_H',20,'CYH');k3b=new C3b('CARBOCYCLIC',21,'CBC');l3b=new C3b('CARBOCYCLIC_OR_H',22,'CBH');g3b=new C3b('ARYL',23,'ARY');h3b=new C3b('ARYL_OR_H',24,'ARH');q3b=new C3b('CYCLOALKYL',25,'CAL');r3b=new C3b('CYCLOALKYL_OR_H',26,'CAH');o3b=new C3b('CYCLOALKENYL',27,'CEL');p3b=new C3b('CYCLOALKENYL_OR_H',28,'CEH');w3b=new C3b('HETEROCYCLIC',29,'CHC');x3b=new C3b('HETEROCYCLIC_OR_H',30,'CHH');u3b=new C3b('HETEROARYL',31,'HAR');v3b=new C3b('HETEROARYL_OR_H',32,'HAH');y3b=new C3b('NO_CARBON',33,'CXX');z3b=new C3b('NO_CARBON_OR_H',34,'CXH')} +function Dpd(a,b){Bpd();var c,d,e,f,g,h,j,l,m,n,o,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J;D=a.e;q=a.d;e=a.a;if(D==0){switch(b){case 0:return '0';case 1:return '0.0';case 2:return '0.00';case 3:return '0.000';case 4:return '0.0000';case 5:return '0.00000';case 6:return '0.000000';default:B=new yod;b<0?(B.a+='0E+',B):(B.a+='0E',B);B.a+=-b;return B.a;}}v=q*10+1+7;w=suc(svc,fyd,23,v+1,15,1);c=v;if(q==1){g=e[0];if(g<0){J=K8c(g,SLd);do{r=J;J=N8c(J,10);w[--c]=48+d9c(a9c(r,V8c(J,10)))&hyd}while(L8c(J,0)!=0)}else{J=g;do{r=J;J=J/10|0;w[--c]=48+(r-J*10)&hyd}while(J!=0)}}else{G=suc(uvc,jyd,23,q,15,1);I=q;Eod(e,0,G,0,q);K:while(true){C=0;for(j=I-1;j>=0;j--){H=J8c(Z8c(C,32),K8c(G[j],SLd));t=Cpd(H);G[j]=d9c(t);C=d9c($8c(t,32))}u=d9c(C);s=c;do{w[--c]=48+u%10&hyd}while((u=u/10|0)!=0&&c!=0);d=9-s+c;for(h=0;h0;h++){w[--c]=48}m=I-1;for(;G[m]==0;m--){if(m==0){break K}}I=m+1}while(w[c]==48){++c}}o=D<0;f=v-c-b-1;if(b==0){o&&(w[--c]=45);return Cnd(),kod(w,c,v-c)}if(b>0&&f>=-6){if(f>=0){l=c+f;for(n=v-1;n>=l;n--){w[n+1]=w[n]}w[++l]=46;o&&(w[--c]=45);return Cnd(),kod(w,c,v-c+1)}for(m=2;m<-f+1;m++){w[--c]=48}w[--c]=46;w[--c]=48;o&&(w[--c]=45);return Cnd(),kod(w,c,v-c)}F=c+1;A=new zod;o&&(A.a+='-',A);if(v-F>=1){qod(A,w[c]);A.a+='.';A.a+=kod(w,c+1,v-c-1)}else{A.a+=kod(w,c,v-c)}A.a+='E';f>0&&(A.a+='+',A);nod(A,(Cnd(),''+f));return A.a} +function kxd(a){var b,c,d,e,f,g,h,j,l,m,n,o,q;for(h=16;h<80;h++){q=a.f[h-3]^a.f[h-8]^a.f[h-14]^a.f[h-16];a.f[h]=q<<1|q>>>31}b=a.a;c=a.b;d=a.c;e=a.d;f=a.e;j=0;for(m=0;m<4;m++){f+=(b<<5|b>>>27)+(c&d|~c&e)+a.f[j++]+hMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b&c|~b&d)+a.f[j++]+hMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f&b|~f&c)+a.f[j++]+hMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e&f|~e&b)+a.f[j++]+hMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d&e|~d&f)+a.f[j++]+hMd;d=d<<30|d>>>2}for(n=0;n<4;n++){f+=(b<<5|b>>>27)+(c^d^e)+a.f[j++]+iMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b^c^d)+a.f[j++]+iMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f^b^c)+a.f[j++]+iMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e^f^b)+a.f[j++]+iMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d^e^f)+a.f[j++]+iMd;d=d<<30|d>>>2}for(o=0;o<4;o++){f+=(b<<5|b>>>27)+(c&d|c&e|d&e)+a.f[j++]+jMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b&c|b&d|c&d)+a.f[j++]+jMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f&b|f&c|b&c)+a.f[j++]+jMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e&f|e&b|f&b)+a.f[j++]+jMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d&e|d&f|e&f)+a.f[j++]+jMd;d=d<<30|d>>>2}for(l=0;l<=3;l++){f+=(b<<5|b>>>27)+(c^d^e)+a.f[j++]+kMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b^c^d)+a.f[j++]+kMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f^b^c)+a.f[j++]+kMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e^f^b)+a.f[j++]+kMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d^e^f)+a.f[j++]+kMd;d=d<<30|d>>>2}a.a+=b;a.b+=c;a.c+=d;a.d+=e;a.e+=f;a.i=0;for(g=0;g<16;g++){a.f[g]=0}} +function Ttb(){Ttb=p9c;Csb=new bl(jGd,(Z9c(),new U9c('data:image/svg+xml;base64,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')))} +function ekb(a){var b;b=new OQb(new GQb);dkb(a,Zzd,new wub(a.c,b),'Cut',(ftb(),Qrb),88);dkb(a,$zd,new vub(a.c,b),'Copy',(etb(),Prb),67);dkb(a,Yzd,new xub(a.c,b),'Paste',(Gtb(),psb),86);ckb(a,_Fd,'Single',(Rtb(),Asb),'1',(s6b(),m6b));ckb(a,aGd,'Double',(itb(),Trb),'2',h6b);ckb(a,bGd,'Triple',(_tb(),Ksb),'3',q6b);ckb(a,cGd,'Aromatic',(Vsb(),Erb),'4',f6b);ckb(a,dGd,'Single Up',(Wtb(),Fsb),'5',r6b);ckb(a,eGd,'Single Down',(Stb(),Bsb),'6',l6b);ckb(a,fGd,'Single Up or Down',(Xtb(),Gsb),'7',p6b);bkb(a,gGd,'Double Cis or Trans',(jtb(),Urb),i6b);bkb(a,hGd,'Double C/T or Unspecified',(ktb(),Vrb),j6b);ckb(a,iGd,'Single or Double',(Utb(),Dsb),'1,2',o6b);ckb(a,jGd,'Single or Aromatic',(Ttb(),Csb),'1,4',n6b);ckb(a,kGd,'Double or Aromatic',(ltb(),Wrb),'2,4',k6b);ckb(a,lGd,'Any',(Usb(),Drb),'0',e6b);nkb(a,mGd,new Xpb((dtb(),Orb),a.f));nkb(a,nGd,Cpb(a.f,(zrb(),wrb)));nkb(a,oGd,Ipb(a.f,(Arb(),xrb)));nkb(a,pGd,Bpb(a.f));nkb(a,qGd,Hpb(a.f));nkb(a,'A',ikb(a,(WZb(),DXb)));nkb(a,'Q',ikb(a,gZb));nkb(a,'M',ikb(a,IYb));nkb(a,'X',ikb(a,OZb));nkb(a,'AH',ikb(a,GXb));nkb(a,'QH',ikb(a,hZb));nkb(a,'MH',ikb(a,LYb));nkb(a,'XH',ikb(a,QZb));nkb(a,rGd,new Eqb(a.f,(bub(),Msb)));nkb(a,sGd,new gqb(a.f,(Ltb(),usb)));nkb(a,tGd,$pb('Expand',(qtb(),_rb),spb(new upb(null),a.f),new bqb(a.d,a.f.i)));nkb(a,uGd,new Oob((ctb(),Nrb),a.f,a.d));nkb(a,vGd,new Dqb((Ytb(),Hsb),a.f,new TL(a.f),new MQb(new jEb(a.f))));nkb(a,wGd,new cob(a.f,a.d));nkb(a,xGd,new iqb(a.f,a.d))} +function Wsb(){Wsb=p9c;Frb=new bl(gHd,(Z9c(),new U9c('data:image/svg+xml;base64,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')))} +function YDb(){YDb=p9c;UDb=new $Db('IncreaseTotalH',0,'H',FId,mnd(1),mnd(0),mnd(4),(kcc(),Xbc),Dmd(72));PDb=new $Db('IncreaseImplicitH',1,'h',GId,mnd(1),mnd(0),mnd(4),Sbc,Dmd(104));NDb=new $Db('IncreaseBondOrder',2,'v',HId,mnd(1),mnd(0),mnd(8),Qbc,Dmd(118));ODb=new $Db('IncreaseConnections',3,'X',IId,mnd(1),mnd(0),mnd(3),Rbc,Dmd(120));RDb=new $Db('IncreaseRingCount',4,'R',yId,mnd(1),mnd(0),mnd(6),Ubc,Dmd(82));SDb=new $Db('IncreaseSmallestRingSize',5,'r',JId,mnd(1),mnd(0),mnd(30),Vbc,Dmd(114));QDb=new $Db('IncreaseRingBond',6,'rb',xId,mnd(1),mnd(0),mnd(4),Tbc,Dmd(98));TDb=new $Db('IncreaseSubstitutions',7,'s',zId,mnd(1),mnd(0),mnd(6),Wbc,Dmd(115));XDb=new $Db(hId,8,'u',hId,null,null,null,Ybc,Dmd(117));MDb=new ZDb('DecreaseTotalH',9,'H',FId,mnd(-1),mnd(0),mnd(4),Xbc);HDb=new ZDb('DecreaseImplicitH',10,'h',GId,mnd(-1),mnd(0),mnd(4),Sbc);FDb=new ZDb('DecreaseBondOrder',11,'v',HId,mnd(-1),mnd(0),mnd(8),Qbc);GDb=new ZDb('DecreaseConnections',12,'X',IId,mnd(-1),mnd(0),mnd(3),Rbc);JDb=new ZDb('DecreaseRingCount',13,'R',yId,mnd(-1),mnd(0),mnd(6),Ubc);KDb=new ZDb('DecreaseSmallestRingSize',14,'r',JId,mnd(-1),mnd(0),mnd(30),Vbc);IDb=new ZDb('DecreaseRingBond',15,'rb',xId,mnd(-1),mnd(0),mnd(4),Tbc);LDb=new ZDb('DecreaseSubstitutions',16,'s',zId,mnd(-1),mnd(0),mnd(6),Wbc);EDb=new $Db(KId,17,'a/A',KId,null,null,null,Pbc,Dmd(97));VDb=new ZDb('RingBond',18,'rb*','*Ring bond',null,null,null,Tbc);WDb=new ZDb(zId,19,'s*','*Substitutions',null,null,null,Wbc)} +function C1(){C1=p9c;m1=new D1('MRV',0,'ChemAxon Marvin Document (MRV)',false,true,(a3(),L2));k1=new D1('MOL',1,'MDL Molfile',false,true,I2);t1=new D1('RXN',2,'MDL RXNfile',false,true,T2);r1=new D1('RGF',3,'MDL RGfile',false,true,R2);q1=new D1('RDF',4,'MDL RDfile',false,true,Q2);z1=new D1(mDd,5,mDd,false,true,Z2);d1=new D1('CXSMILES',6,'ChemAxon SMILES',false,true,E2);y1=new D1(nDd,7,nDd,false,true,Y2);c1=new D1('CXSMARTS',8,'ChemAxon Extended SMARTS',false,true,D2);g1=new D1('INCHI',9,'InChI',false,true,G2);h1=new D1('INCHIKEY',10,'InChIKey',false,false,H2);e1=new E1('DOCUMENT',11,'Document',true,true,false,F2);f1=new E1('HTML_XML',12,'HTML or XML',false,true,false,$2);n1=new D1(XAd,13,Lyd,false,true,M2);_0=new D1('CML',14,'CML',false,true,A2);l1=new D1(kDd,15,'MDL Molfile V3000',false,true,J2);u1=new D1('RXN_V3',16,'MDL RXNfile V3000',false,true,U2);s1=new D1('RGF_V3',17,'MDL RGfile V3000',false,true,S2);v1=new D1('SDF',18,'MDL SDfile',false,true,V2);w1=new E1('SDF_CTAB',19,'MDL SDfile (CTAB v2000)',false,false,true,W2);a1=new D1('CSMOL',20,'ChemAxon Compressed Molfile',false,true,B2);b1=new D1('CSSDF',21,'ChemAxon Compressed SDfile',false,true,C2);Z0=new D1('CDX',22,'CDX File format',true,true,y2);$0=new E1('CDXML',23,'CDXML File format',false,true,false,z2);x1=new D1('SKC',24,'SKC File format',true,true,X2);p1=new E1('PDF',25,'PDF file',true,true,false,P2);o1=new D1('PDB',26,'Protein Data Bank / PDB',false,true,O2);i1=vuc(quc(xHc,1),oDd,383,0,[m1,k1]);j1=vuc(quc(xHc,1),oDd,383,0,[m1,k1,l1])} +function qw(a){var b,c,d,e,f,g,h,j,l,m,n,o,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R;F=ax(Mu(a.a));m=hx(Lu(a.a));h=Bdb(a.a.C,m);J=a.a;s=a.a.a.f;for(r=new Frd(cVb(h));r.a0;--o){f=w.zd(o-1);Ytd(a.d,f,new dV(f,a.n,a.f,a.f,a.f,a.s))}for(q=A.vd();q>0;--q){f=A.zd(q-1);Ytd(a.e,f,(J=YS(a,f),K=TS(a,J,fT(a,f.c),fT(a,f.d)),!!f&&((s6b(),h6b)==f.o||f6b==f.o)&&!Cqd(a.b,f)&&Hqd(a.b,f,J),K))}for(r=B.vd();r>0;--r){f=B.zd(r-1);Ytd(a.k,f,US(a,f,new c_(a.f.ce((D=mUb(f.a),D.a))),fT(a,f.b)))}for(n=C.vd();n>0;--n){f=C.zd(n-1);Hqd(a.p,f,new SZ(f,a.n,a.f,a.f,a.f,a.s))}for(l=new Frd(new gs(dsd(b.q)));l.a=-1900?1:0;c>=4?nod(a,vuc(quc(g6c,1),eyd,2,6,[LKd,MKd])[h]):nod(a,vuc(quc(g6c,1),eyd,2,6,['BC','AD'])[h]);break;case 121:prc(a,c,d);break;case 77:orc(a,c,d);break;case 107:j=e.r.getHours();j==0?Krc(a,24,c):Krc(a,j,c);break;case 83:nrc(a,c,e);break;case 69:m=d.r.getDay();c==5?nod(a,vuc(quc(g6c,1),eyd,2,6,['S','M','T','W','T','F','S'])[m]):c==4?nod(a,vuc(quc(g6c,1),eyd,2,6,[NKd,OKd,PKd,QKd,RKd,SKd,TKd])[m]):nod(a,vuc(quc(g6c,1),eyd,2,6,['Sun','Mon','Tue','Wed','Thu','Fri','Sat'])[m]);break;case 97:e.r.getHours()>=12&&e.r.getHours()<24?nod(a,vuc(quc(g6c,1),eyd,2,6,['AM','PM'])[1]):nod(a,vuc(quc(g6c,1),eyd,2,6,['AM','PM'])[0]);break;case 104:n=e.r.getHours()%12;n==0?Krc(a,12,c):Krc(a,n,c);break;case 75:o=e.r.getHours()%12;Krc(a,o,c);break;case 72:q=e.r.getHours();Krc(a,q,c);break;case 99:r=d.r.getDay();c==5?nod(a,vuc(quc(g6c,1),eyd,2,6,['S','M','T','W','T','F','S'])[r]):c==4?nod(a,vuc(quc(g6c,1),eyd,2,6,[NKd,OKd,PKd,QKd,RKd,SKd,TKd])[r]):c==3?nod(a,vuc(quc(g6c,1),eyd,2,6,['Sun','Mon','Tue','Wed','Thu','Fri','Sat'])[r]):Krc(a,r,1);break;case 76:s=d.r.getMonth();c==5?nod(a,vuc(quc(g6c,1),eyd,2,6,['J','F','M','A','M','J','J','A','S','O','N','D'])[s]):c==4?nod(a,vuc(quc(g6c,1),eyd,2,6,[yKd,zKd,AKd,BKd,CKd,DKd,EKd,FKd,GKd,HKd,IKd,JKd])[s]):c==3?nod(a,vuc(quc(g6c,1),eyd,2,6,['Jan','Feb','Mar','Apr',CKd,'Jun','Jul','Aug','Sep','Oct','Nov','Dec'])[s]):Krc(a,s+1,c);break;case 81:t=d.r.getMonth()/3|0;c<4?nod(a,vuc(quc(g6c,1),eyd,2,6,['Q1','Q2','Q3','Q4'])[t]):nod(a,vuc(quc(g6c,1),eyd,2,6,['1st quarter','2nd quarter','3rd quarter','4th quarter'])[t]);break;case 100:u=d.r.getDate();Krc(a,u,c);break;case 109:l=e.r.getMinutes();Krc(a,l,c);break;case 115:g=e.r.getSeconds();Krc(a,g,c);break;case 122:c<4?nod(a,f.c[0]):nod(a,f.c[1]);break;case 118:nod(a,f.b);break;case 90:c<3?nod(a,ltc(f)):c==3?nod(a,ktc(f)):nod(a,ntc(f.a));break;default:return false;}return true} +function Ztb(){Ztb=p9c;Isb=new bl('stereoinfo',(Z9c(),new U9c('data:image/svg+xml;base64,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')))} +function agc(){agc=p9c;Vec=new Ndc;Uec=new Mdc;Wec=new Odc;Xec=new Udc;Yec=new Vdc;Zec=new Ydc;$ec=new Zdc;_ec=new $dc;afc=new _dc;bfc=new aec;cfc=new bec;dfc=new cec;efc=new dec;ffc=new eec;gfc=new fec;hfc=new gec;jfc=new iec;ifc=new hec;kfc=new jec;lfc=new kec;mfc=new nec;nfc=new oec;pfc=new qec;qfc=new rec;ofc=new pec;rfc=new sec;sfc=new tec;tfc=new uec;ufc=new vec;wfc=new yec;yfc=new Aec;zfc=new Bec;xfc=new zec;vfc=new wec;Afc=new Cec;Bfc=new Dec;Cfc=new Eec;Dfc=new Fec;Efc=new Oec;Gfc=new Sec;Ffc=new Rec;Hfc=new Tec;Kfc=new cgc;Lfc=new dgc;Jfc=new bgc;Mfc=new egc;Nfc=new fgc;Ofc=new ggc;Pfc=new hgc;Qfc=new igc;Rfc=new lgc;Tfc=new ngc;Ufc=new ogc;Sfc=new mgc;Vfc=new pgc;Wfc=new qgc;Xfc=new rgc;Yfc=new sgc;$fc=new ugc;_fc=new vgc;Zfc=new tgc;Ifc=new ltd;Iqd(Ifc,'region',Hfc);Iqd(Ifc,'alert',Uec);Iqd(Ifc,rAd,efc);Iqd(Ifc,MJd,Vec);Iqd(Ifc,NJd,Wec);Iqd(Ifc,'document',gfc);Iqd(Ifc,'article',Xec);Iqd(Ifc,'banner',Yec);Iqd(Ifc,OJd,Zec);Iqd(Ifc,PJd,$ec);Iqd(Ifc,'gridcell',jfc);Iqd(Ifc,QJd,_ec);Iqd(Ifc,'group',kfc);Iqd(Ifc,'combobox',afc);Iqd(Ifc,RJd,bfc);Iqd(Ifc,SJd,cfc);Iqd(Ifc,TJd,dfc);Iqd(Ifc,'list',ofc);Iqd(Ifc,'directory',ffc);Iqd(Ifc,'form',hfc);Iqd(Ifc,'grid',ifc);Iqd(Ifc,'heading',lfc);Iqd(Ifc,'img',mfc);Iqd(Ifc,'link',nfc);Iqd(Ifc,'listbox',pfc);Iqd(Ifc,'listitem',qfc);Iqd(Ifc,'log',rfc);Iqd(Ifc,'main',sfc);Iqd(Ifc,'marquee',tfc);Iqd(Ifc,'math',ufc);Iqd(Ifc,'menu',vfc);Iqd(Ifc,'menubar',wfc);Iqd(Ifc,'menuitem',xfc);Iqd(Ifc,UJd,yfc);Iqd(Ifc,XJd,Cfc);Iqd(Ifc,'radio',Ffc);Iqd(Ifc,VJd,zfc);Iqd(Ifc,WJd,Afc);Iqd(Ifc,'note',Bfc);Iqd(Ifc,YJd,Dfc);Iqd(Ifc,ZJd,Efc);Iqd(Ifc,$Jd,Gfc);Iqd(Ifc,'row',Jfc);Iqd(Ifc,'rowgroup',Kfc);Iqd(Ifc,'rowheader',Lfc);Iqd(Ifc,nJd,Nfc);Iqd(Ifc,'separator',Ofc);Iqd(Ifc,'scrollbar',Mfc);Iqd(Ifc,'slider',Pfc);Iqd(Ifc,_Jd,Qfc);Iqd(Ifc,'status',Rfc);Iqd(Ifc,'tab',Sfc);Iqd(Ifc,'tablist',Tfc);Iqd(Ifc,'tabpanel',Ufc);Iqd(Ifc,aAd,Vfc);Iqd(Ifc,'timer',Wfc);Iqd(Ifc,'toolbar',Xfc);Iqd(Ifc,'tooltip',Yfc);Iqd(Ifc,'tree',Zfc);Iqd(Ifc,'treegrid',$fc);Iqd(Ifc,'treeitem',_fc)} +function aq(a){if(!a.a){a.a=true;Xnc();Znc((Lsc(),'.gwt-progress{position:relative;height:4px;display:block;width:100%;background-color:#acece6;border-radius:2px;overflow:hidden;}.gwt-progress .gwt-determinate{position:absolute;background-color:inherit;top:0;left:0;bottom:0;background-color:#26a69a;transition:width 0.3s linear;}.gwt-progress .gwt-indeterminate{background-color:#26a69a;}.gwt-progress .gwt-indeterminate:before{content:"";position:absolute;background-color:inherit;top:0;left:0;bottom:0;will-change:left, right;-webkit-animation:gwt-indeterminate 3.5s cubic-bezier(0.65, 0.815, 0.735, 0.395) infinite;animation:gwt-indeterminate 3.5s cubic-bezier(0.65, 0.815, 0.735, 0.395) infinite;}.gwt-progress .gwt-indeterminate:after{content:"";position:absolute;background-color:inherit;top:0;left:0;bottom:0;will-change:left, right;-webkit-animation:gwt-indeterminate-short 3.5s cubic-bezier(0.165, 0.84, 0.44, 1) infinite;animation:gwt-indeterminate-short 3.5s cubic-bezier(0.165, 0.84, 0.44, 1) infinite;-webkit-animation-delay:1.9s;animation-delay:1.9s;}@-webkit-keyframes gwt-indeterminate{0%{left:-35%;right:100%}60%{left:100%;right:-90%}100%{left:100%;right:-90%}}@keyframes gwt-indeterminate{0%{left:-35%;right:100%}60%{left:100%;right:-90%}100%{left:100%;right:-90%}}@-webkit-keyframes gwt-indeterminate-short{0%{left:-200%;right:100%}60%{left:107%;right:-8%}100%{left:107%;right:-8%}}@keyframes gwt-indeterminate-short{0%{left:-200%;right:100%}60%{left:107%;right:-8%}100%{left:107%;right:-8%}}.gwt-progress{background-color:#ebeef1;border-radius:5px;-webkit-border-radius:5px;-moz-border-radius:5px;color:#fff;transition:1s all;-webkit-transition:1s all;-moz-transition:1s all;margin:0;top:0;left:0;position:absolute;height:2px;}.gwt-progress .gwt-indeterminate{border-radius:5px;-webkit-border-radius:5px;-moz-border-radius:5px;transition:1s all;-webkit-transition:1s all;-moz-transition:1s all;background-color:#4881d7;}.gwt-progressContainer{position:relative;}.gwt-progressFallback{position:absolute;top:5px;left:5px;}'));return true}return false} +function kr(){kr=p9c;rq=new lr('ALPHA',0,'\u03B1','α');tq=new lr('BETA',1,'\u03B2','β');Bq=new lr('GAMMA',2,'\u03B3','γ');xq=new lr('DELTA',3,'\u03B4','δ');yq=new lr('EPSILON',4,'\u03B5','ε');jr=new lr('ZETA',5,'\u03B6','ζ');zq=new lr('ETA',6,'\u03B7','η');gr=new lr('THETA',7,'\u03B8','θ');Fq=new lr('IOTA',8,'\u03B9','ι');Gq=new lr('KAPPA',9,'\u03BA','κ');Hq=new lr('LAMBDA',10,'\u03BB','λ');Oq=new lr('MU',11,'\u03BC','μ');Qq=new lr('NU',12,'\u03BD','ν');ir=new lr('XI',13,'\u03BE','ξ');Sq=new lr('OMICRON',14,'\u03BF','ο');Wq=new lr('PI',15,'\u03C0','π');$q=new lr('RHO',16,'\u03C1','ρ');br=new lr('SIGMA',17,'\u03C3','σ');fr=new lr('TAU',18,'\u03C4','τ');hr=new lr('UPSILON',19,'\u03C5','υ');Vq=new lr('PHI',20,'\u03C6','φ');vq=new lr('CHI',21,'\u03C7','χ');Zq=new lr('PSI',22,'\u03C8','ψ');Rq=new lr('OMEGA',23,'\u03C9','ω');uq=new lr('CELSIUS',24,'\u2103','℃');Aq=new lr('FAHRENHEIT',25,'\u2109','℉');sq=new lr('ANGSTROM',26,'\u212B','Å');wq=new lr('DEGREE',27,UAd,'°');cr=new lr('SMALL_H_WITHSTROKE',28,'\u0127','ħ');Xq=new lr('PLUSMINUS',29,'\xB1','±');Uq=new lr('PER_MILLE',30,VAd,'‰');dr=new lr('SQRT',31,'\u221A','√');Jq=new lr('LEFT_ARROW',32,'\u2190','←');_q=new lr('RIGHT_ARROW',33,'\u2192','→');Mq=new lr('LEFT_STROKED_ARROW',34,'\u219A','↚');ar=new lr('RIGHT_STROKED_ARROW',35,'\u219B','↛');Lq=new lr('LEFT_RIGHT_ARROW',36,'\u2194','↔');Kq=new lr('LEFT_ON_RIGHT_HARPOON',37,'\u21CC','⇌');Yq=new lr('PRODUCT',38,'\u220F','∏');er=new lr('SUM',39,'\u2211','∑');Dq=new lr('INFINITY',40,WAd,'∞');Tq=new lr('PARTIAL_DIFFERENTIAL',41,'\u2202','∂');Iq=new lr('LARGE_DELTA',42,'\u2206','∆');Eq=new lr('INTEGRAL',43,'\u222B','∫');qq=new lr('ALMOST',44,'\u2248','≈');Pq=new lr('NOT_EQUAL',45,'\u2260','≠');Nq=new lr('LESS_OR_EQUAL',46,'\u2264','≤');Cq=new lr('GREATER_OR_EQUAL',47,'\u2265','≥')} +function ktb(){ktb=p9c;Vrb=new bl('doubleCisOrTransOrUnspecifiedBond',(Z9c(),new U9c('data:image/svg+xml;base64,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')))} +function a3(){a3=p9c;L2=new c3('MRV',0,true,true,vuc(quc(g6c,1),eyd,2,6,['mrv','xml']));I2=new c3('MOL',1,false,false,vuc(quc(g6c,1),eyd,2,6,['mol']));K2=new b3('MOL_V3_NAT',2,'mol:V3nat',false,false,vuc(quc(g6c,1),eyd,2,6,['mol']));T2=new c3('RXN',3,true,false,vuc(quc(g6c,1),eyd,2,6,['rxn']));R2=new c3('RGF',4,false,true,vuc(quc(g6c,1),eyd,2,6,['rgf']));Q2=new c3('RDF',5,true,true,vuc(quc(g6c,1),eyd,2,6,['rdf','rd']));Z2=new c3(mDd,6,true,false,vuc(quc(g6c,1),eyd,2,6,['smiles','smi']));E2=new c3('CXSMILES',7,true,true,vuc(quc(g6c,1),eyd,2,6,['cxsmiles','cxsmi']));F2=new b3('DOCUMENT',8,'d2s',true,true,vuc(quc(g6c,1),eyd,2,6,['doc','docx','odt','xls','xlsx','ppt','pptx']));$2=new b3('XML_HTML',9,'d2s',true,true,vuc(quc(g6c,1),eyd,2,6,['xml','html','xhtml','htm']));Y2=new c3(nDd,10,true,false,vuc(quc(g6c,1),eyd,2,6,['smarts','sma']));D2=new c3('CXSMARTS',11,true,true,vuc(quc(g6c,1),eyd,2,6,['cxsmarts','cxsma']));G2=new c3('INCHI',12,false,false,vuc(quc(g6c,1),eyd,2,6,['inchi']));H2=new 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')),32,32)} +function no(a,b){return a?b?new 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b,c,d,e,f,g,h,j,l,m,n;if(Hnd(a.Uo(),'MPolyline')){n=Abb(a.So());if(n){d=new tfb;d.d=n;h=a.To();for(e=0;e=0&&eld(b,qEd,(Cnd(),''+(c+1)))}};var GKc=Mmd(1767);n9c(845,1,{},kgb);var IKc=Mmd(845);n9c(1545,421,{},sgb);var HKc=Mmd(1545);n9c(820,1,{},wgb);var JKc=Mmd(820);n9c(1768,886,{},xgb);_.Nj=lOd;var KKc=Mmd(1768);n9c(904,1,{},Agb);var MKc=Mmd(904);n9c(1871,1,{},Bgb);_.a=0;_.b=0;_.c=0;var NKc=Mmd(1871);n9c(2311,1,{});_.Oj=function(a){return Cgb(this,a)};var QKc=Mmd(2311);n9c(1770,2311,{},Dgb);_.Pj=function(){return 'x2'};_.Qj=function(){return 'y2'};var OKc=Mmd(1770);n9c(1769,2311,{},Egb);_.Oj=function(a){var b;b=Cgb(this,a);Iqd(b,'z3',$md(a.Ki()));return b};_.Pj=function(){return 'x3'};_.Qj=function(){return 'y3'};var PKc=Mmd(1769);n9c(1771,846,{},Kgb); +var SKc=Mmd(1771);n9c(1772,1,{},Qgb);var RKc=Mmd(1772);n9c(2290,1,{});var Rgb;var VKc=Mmd(2290);n9c(1283,2290,{},Tgb);_.Rj=wMd;_.Sj=wMd;var 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true}else{c=ky(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.u).a.zd(0):null;if(!!c&&!Ex(this.c.i.A,c)){g=ky(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.u).a.zd(0):null;lO(this,jB(this.c.i,this.a,g));dx(Mu(this.c.i),jw(this.c.i,Aac((h=mUb(g.a),h.a),g.b.Lh())));this.c.a.Rd();return true}else{a=hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null;if(!!a&&!Ex(this.c.i.A,a)&&((s6b(),m6b)==this.a||h6b==this.a||q6b==this.a||f6b==this.a||l6b==this.a||r6b==this.a||p6b==this.a)){qob(this);this.c.a.Rd();return true}}}}return iob(this)};_.Ck=function(){var a;a=new Cy(this.c.i.A);return !dsd(a.s).a.sd()||!dsd(a.A).a.sd()||!dsd(a.u).a.sd()||dsd(a.r).b.vd()+dsd(a.s).b.vd()+dsd(a.A).b.vd()+dsd(a.t).b.vd()+dsd(a.q).b.vd()+dsd(a.w).b.vd()+dsd(a.C).b.vd()+dsd(a.B).b.vd()+dsd(a.u).b.vd()==1&&!dsd(a.r).a.sd()};_.Dk=function(){var a,b,c,d,e,f,g,h;b=new wB;d=false;h=new Cy(this.c.i.A);if(!dsd(h.s).a.sd()){uB(b,gB(this.c.i,this.a,dsd(h.s)));d=true}if(!dsd(h.A).a.sd()){uB(b,eB(this.c.i,this.a,dsd(h.A)));d=true}if(!dsd(h.u).a.sd()){uB(b,kB(this.c.i,this.a,dsd(h.u)));d=true}if(d){c=vB(b,this.c.i);yQ(this.c.f,c)}if(dsd(h.r).b.vd()+dsd(h.s).b.vd()+dsd(h.A).b.vd()+dsd(h.t).b.vd()+dsd(h.q).b.vd()+dsd(h.w).b.vd()+dsd(h.C).b.vd()+dsd(h.B).b.vd()+dsd(h.u).b.vd()==1&&!dsd(h.r).a.sd()){a=dsd(h.r).a.zd(0);g=xH(H9b(a.Lh(),false,K9b(a),LBd),a,this.c.i);f=new S2b(this.a,a,g);e=new By;lsd(dsd(this.c.i.C.n),g)||mx(e,g);nx(e,f);lO(this,new PC(this.c.i,e))}};var TMc=Mmd(677);n9c(1835,1,Izd,tob);_.eb=function(){dx(Mu(this.a.c.i),jw(this.a.c.i,D2b(this.b)))};var SMc=Mmd(1835);n9c(830,66,{60:1,245:1,830:1,12:1,13:1,19:1},wob);_.db=function(){var a;if(!(!!this.b.a.a&&!!vob(this,this.b.a.a.a))){return false}a=this.b.a.a.a;return qmd(),iO(vob(this,a),a)?true:false};_.De=function(a){ud(this,Byd,(qmd(),!!this.b.a.a&&!!vob(this,this.b.a.a.a)?true:false))};var UMc=Mmd(830);n9c(1488,66,nHd,xob);_.db=function(){var a,b;b=MWb();a=new pB(this.a.i,b);this.a.i.n&&(a=new AB(this.a.i,vuc(quc(PEc,1),ABd,38,0,[a,new eE(b,true)])));yQ(this.a.f,a);ud(this,Fyd,(qmd(),omd));this.a.i.w.Hf();return true};_.Ud=function(a){ud(this,Byd,(qmd(),!!this.a.i.C&&!Cdb(this.a.i.C)?true:false))};var VMc=Mmd(1488);n9c(1508,66,Hyd,yob);_.db=function(){!Sx(this.a.i.A)&&Ry(this.a.i.A);Yw(this.a,this.a.d);return true};var WMc=Mmd(1508);n9c(423,66,Hyd,zob,Aob,Bob);_.db=function(){this.a.eb();ud(this,Fyd,(qmd(),omd));return true};var XMc=Mmd(423);n9c(1493,1,pHd,Mob);_.md=function(){return Cob(this)};_.ne=function(){var a,b,c;b=Dob(this);c=Vw(this.a);a=b?new VA(c,!Eob(this,b),b):new eE(c,!c.e);yQ(this.a.f,a);return true};_.Ek=function(){if(O0b(Vw(this.a))){return Iob(this)||Fob(this,Lu(this.a.i).b)}return true};var YMc=Mmd(1493);n9c(1645,66,jHd,Oob);_.db=function(){if(this.c.a.vd()!=0){yQ(this.b.f,new BB(this.c,this.b.i));this.b.i.w.Hf();return true}return false};_.De=function(a){Nob(this)};_.Zd=function(){Nob(this)};var ZMc=Mmd(1645);n9c(1501,1,pHd,Sob);_.ne=function(){var a;a=Rob(this);!!a&&yQ(this.a.f,KB(dsd(a.r),this.a.i.C));return true};_.Ek=function(){var a,b;b=this.a.i;if(!Sx(b.A)){a=b.C;if(dsd(a.n).b.vd()>0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0))){return !!Rob(this)}}return false};var $Mc=Mmd(1501);n9c(635,1,{},Yob);_.a=false;var _Mc=Mmd(635);n9c(1081,66,Hyd,Zob);_.db=function(){if(this.a){Ymb(this.a.a);return true}return false};var aNc=Mmd(1081);n9c(1478,66,Hyd,$ob);_.db=function(){nEb(new pEb(this.a.a));ud(this,Fyd,(qmd(),false));return false};var bNc=Mmd(1478);n9c(1486,280,kHd,_ob);_.db=function(){var a;if(hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null){a=hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null;lO(this,new dE(this.c.i,-1,new Srd(vuc(quc(tWc,1),zBd,49,0,[a]))));wic((pic(),oic),new bpb(this,a));this.c.i.w.Hf();this.c.a.Rd();this.c.i.w.Hf();return true}return iob(this)};_.Ck=qOd;_.Dk=function(){lO(this,new dE(this.c.i,-1,dsd(this.c.i.A.r)));!this.e&&(this.e=new Cqc);vqc(this.e,new ae,this)};var dNc=Mmd(1486);n9c(1487,1,Izd,bpb);_.eb=pOd;var cNc=Mmd(1487);n9c(633,280,kHd,cpb);_.Ck=qOd;_.Dk=function(){this.a.Ag(new Cy(this.c.i.A))};var eNc=Mmd(633);n9c(1489,66,Hyd,epb);_.db=function(){if(Sx(this.b.i.A)){if((!this.a||!this.a.b.c.c.M)&&!Sx(hx(Lu(this.b.i)))){dpb(this,hx(Lu(this.b.i)));return true}}else{dpb(this,this.b.i.A);Ry(this.b.i.A);return true}return false};var fNc=Mmd(1489);n9c(1481,66,iHd,fpb);_.db=function(){var a;if(Sx(this.b)){return false}a=QVb(this.a.i.C,this.b);Gy(a,new qad(0.77,-0.77));yQ(this.a.f,RC(this.a.i,a));Ry(this.a.i.A);Ou(this.a.i,a);return true};_.De=function(a){Dx(this.b);qx(this.b,gpb(this.a.i));ud(this,Byd,(qmd(),Sx(this.b)?false:true))};var gNc=Mmd(1481);n9c(1482,280,kHd,hpb);_.Ck=function(){return !Sx(this.c.i.A)};_.Dk=function(){lO(this,new DD(this.c.i,this.c.i.A));!this.e&&(this.e=new Cqc);vqc(this.e,new ae,this)};var hNc=Mmd(1482);var kpb,lpb,mpb;n9c(1748,1747,fAd,opb);var iNc=Mmd(1748);n9c(1490,66,Hyd,qpb);_.db=function(){Jv(this.a);ud(this,Fyd,(qmd(),false));return true};var jNc=Mmd(1490);n9c(1491,66,rHd,rpb);_.db=function(){ud(this,Fyd,(qmd(),false));if(!Sx(this.a.A)){Kv(this.a,this.a.A);return true}return false};_.Zd=function(){ud(this,Byd,(qmd(),Sx(this.a.A)?false:true))};var kNc=Mmd(1491);n9c(839,1,pHd);var lNc=Mmd(839);n9c(610,1,{},upb);var mNc=Mmd(610);n9c(1484,280,kHd,vpb);_.db=function(){var a;if(hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null){a=hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null;lO(this,new dE(this.c.i,1,new Srd(vuc(quc(tWc,1),zBd,49,0,[a]))));wic((pic(),oic),new xpb(this,a));this.c.i.w.Hf();this.c.a.Rd();this.c.i.w.Hf();return true}return iob(this)};_.Ck=qOd;_.Dk=function(){lO(this,new dE(this.c.i,1,dsd(this.c.i.A.r)));!this.e&&(this.e=new Cqc);vqc(this.e,new ae,this)};var oNc=Mmd(1484);n9c(1485,1,Izd,xpb);_.eb=pOd;var nNc=Mmd(1485);n9c(1506,135,{60:1,214:1,12:1,143:1,13:1,19:1},ypb);_.Ud=function(a){ud(this,Byd,(qmd(),St(this.c.c,(cu(),_t)).Pd()?false:true))};var pNc=Mmd(1506);n9c(426,66,rHd,zpb,Apb);_.db=function(){if(this.c){yQ(this.a.f,this.b.Fk(this.a.i.A,this.c));return true}return false};_.Zd=function(){this.c=$z(this.a.i.A);Bd(this,!!this.c)};var uNc=Mmd(426);n9c(1639,1,{},Jpb);_.Fk=function(a,b){return Dpb(this.a,a,b)};var qNc=Mmd(1639);n9c(1640,1,{},Kpb);_.Fk=function(a,b){return Epb(this.a,a,b)};var rNc=Mmd(1640);n9c(1641,1,{},Lpb);_.Fk=function(a,b){return Fpb(this.a,a,b)};var sNc=Mmd(1641);n9c(1642,1,{},Mpb);_.Fk=function(a,b){return Gpb(this.a,a,b)};var tNc=Mmd(1642);n9c(832,280,kHd,Tpb);_.Ck=function(){var a;a=this.c.i.A;return (dsd(a.r).b.vd()>1||!dsd(a.u).a.sd())&&(dsd(a.r).b.vd()<2||aVb(this.c.i.C,dsd(a.r)))&&Opb(this,a)};_.Dk=function(){Rpb(this)};var wNc=Mmd(832);n9c(509,1,Izd,Upb);_.eb=function(){yQ(this.a.c.f,this.b);Ry(this.a.c.i.A)};var vNc=Mmd(509);n9c(1637,832,kHd,Xpb);_.Ck=function(){var a;a=this.c.i.A;return (dsd(a.s).b.vd()+dsd(a.A).b.vd()+dsd(a.u).b.vd()>0&&dsd(a.r).a.sd()||dsd(a.r).b.vd()>1)&&Opb(this,a)};_.Dk=function(){var a,b,c,d,e;e=this.c.i.A;c=jL(dsd(e.r));if(c){a=new kud(dsd(e.r));a.a.qp(c)!=null;d=new By;rx(d,new W0b(a,c,Vpb));b=new PC(this.c.i,d);xic((pic(),oic),new Upb(this,b))}else dsd(e.s).b.vd()+dsd(e.A).b.vd()+dsd(e.u).b.vd()>0&&dsd(e.r).a.sd()?xic((pic(),oic),new Ypb(this,e)):Rpb(this)};var Vpb;var yNc=Mmd(1637);n9c(1638,1,Izd,Ypb);_.eb=function(){var a;a=vB(uB(uB(uB(new wB,gB(this.a.c.i,(Wpb(),Vpb),dsd(this.b.s))),eB(this.a.c.i,Vpb,dsd(this.b.A))),kB(this.a.c.i,Vpb,dsd(this.b.u))),this.a.c.i);yQ(this.a.c.f,a);Ry(this.a.c.i.A)};var xNc=Mmd(1638);n9c(308,66,sHd,Zpb);_.db=function(){return !!this.b&&this.b.ne()};_.Gk=function(){ud(this,Byd,(qmd(),!!this.b&&this.b.Ek()?true:false))};var zNc=Mmd(308);n9c(1492,308,sHd,_pb);_.Gk=function(){ud(this,Byd,(qmd(),!!this.b&&this.b.Ek()?true:false));ud(this,Fyd,!!this.a&&Cob(this.a)?true:false)};var ANc=Mmd(1492);n9c(499,1,{},bqb);var DNc=Mmd(499);n9c(1327,1,{245:1,13:1},cqb);_.De=function(a){aqb(this.a)};var BNc=Mmd(1327);n9c(1328,1,{194:1},dqb);_.Zd=function(){aqb(this.a)};var CNc=Mmd(1328);n9c(510,280,kHd,eqb);_.Ck=function(){this.a.a=suc(_5c,lyd,1,0,5,1);aP(this.b)||Xr(this.a,Uac(Yac(new Cy(this.c.i.A))));return this.a.a.length!=0};_.Dk=function(){var a,b,c;if(this.a.a.length!=0){a=new By;for(c=new Frd(this.a);c.adsd(e.r).b.vd()){c=new Wgb;a=new utd(dsd(d.n));Qqd(a,dsd(e.r));f=Cib(this.d,d,c);b=Yqb(new Zqb(Vgb(c,cWb(d))),a);return Rqb(this,f,b)}mf(lf(this.b.Qi(d),new Tqb(this)),new Vqb(this,d));return true};_.c=false;var fOc=Mmd(812);n9c(1430,1,Xyd,Tqb);_.tb=function(a){Qqb(this.a,a.b)};var cOc=Mmd(1430);n9c(1431,1,Xyd,Vqb);_.tb=function(a){var b;Uqb((b=this,a,b))};var dOc=Mmd(1431);n9c(1432,1,Xyd,Wqb);_.tb=function(a){yQ(this.a.a.f,new sD(this.a.a.i,a,this.a.a.i.A))};var eOc=Mmd(1432);n9c(903,1,{},Zqb);var hOc=Mmd(903);n9c(1823,1,{},_qb);_.Wg=function(a,b){return $qb(a,b)};_.V=qMd;var gOc=Mmd(1823);n9c(676,1,Xyd,arb);_.tb=function(a){yQ(this.a.f,new pB(this.a.i,a))};var iOc=Mmd(676);n9c(1437,1,pHd,frb);_.ne=function(){var a,b,c,d,e;c=Vw(this.a);b=dsd(c.n);if(!b.a.sd()&&!Nr(cWb(c),b)){e=this.a.i;if(Sx(e.A)){if(dsd(c.p).b.vd()>1){return crb(this,null,drb(dsd(c.p)))}}else{a=new $s((qmd(),false));d=erb(this,e.A,a);if(!dsd(d.s).a.sd()){return crb(this,d,a.a)}}}return false};var kOc=Mmd(1437);n9c(1438,1,Xyd,grb);_.tb=function(a){yQ(this.a.a.f,new xA(this.a.a.i,a,this.b))};var jOc=Mmd(1438);n9c(622,1,pHd);var lOc=Mmd(622);n9c(1436,622,pHd,irb);_.ne=function(){var a,b;a=Vw(this.b);if(dsd(a.n).b.vd()>0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0))){b=xnb(this.c,sLb(this.a,a));if(b){bt(b,new arb(this.b));return true}}return false};var mOc=Mmd(1436);n9c(1435,622,pHd,lrb);_.ne=function(){var a,b,c,d,e,f,g,h;e=Vw(this.b);a=dsd(e.n);if(!a.a.sd()&&!Nr(cWb(e),a)){b=null;if(Sx(this.b.i.A)){h=sLb(this.a,e);d=jrb(dsd(Vw(this.b).n))}else{g=krb(this);if(g.a.length==0){return false}c=new Wgb;h=tLb(this.a,e,c);b=Yqb(new Zqb(Vgb(c,cWb(e))),g);d=jrb(g)}f=Bnb(this.c,h,d,b);if(f){bt(f,new arb(this.b));return true}}return false};var nOc=Mmd(1435);n9c(1433,622,pHd,prb);_.ne=function(){var a,b,c;if(!mrb(this)){a=new Wgb;b=Vw(this.b);c=Fnb(this.c,tLb(this.a,b,a));if(c){bt(c,new qrb(this,new trb(Vgb(a,cWb(b)))));return true}return false}orb(this);!!this.b.i&&$v(this.b.i);return true};var pOc=Mmd(1433);n9c(1434,1,Xyd,qrb);_.tb=function(a){rrb(this.b,a);nrb(this.a)};var oOc=Mmd(1434);n9c(671,1,Xyd,trb,urb);_.tb=function(a){rrb(this,a)};var qOc=Mmd(671);var vrb,wrb,xrb;var 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0 0 0 0 0 0 0 0\n 6.5679 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8554 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1429 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4250 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 1.3179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9982 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7161 2.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Arg\nM SAP 1 3 1 0 Al 10 0 Br 8 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nMgCl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 MgCl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClMg\nM END\n> \nMgCl\n\n> \nClMg\n\n$$$$\nc-C16H31\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 2.1434 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7183 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5182 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7432 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1683 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3932 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8183 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0433 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4684 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6685 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4435 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6436 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4187 -0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9936 0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7686 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3435 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 1 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 c-C16H31\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C16H31\n\n$$$$\nc-C3H5\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 c-C3H5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C3H5\n\n$$$$\nBTC\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BTC\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBTC\n\n$$$$\nCt\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ct\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nCt\n\n$$$$\nCOs-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COs-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuCO\nM END\n> \nCOs-Bu\n\n> \ns-BuCO\n\n$$$$\nC13H27\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 C13H27\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H27C13\nM END\n> \nC13H27\n\n> \nH27C13\n\n$$$$\nCy\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Cy\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCy\n\n$$$$\nPmc\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8545 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3848 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 2 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Pmc\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nPmc\n\n$$$$\nCe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Ce\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCe\n\n$$$$\n4Py\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 4Py\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n4Py\n\n$$$$\nC16H33\n Mrv15c7 12111511552D \n\n 16 15 0 0 0 0 999 V2000\n 5.9961 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2842 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7131 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 C16H33\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H33C16\nM END\n> \nC16H33\n\n> \nH33C16\n\n$$$$\nADRibof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADRibof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADRibof\n\n$$$$\ns-Butyl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-Butyl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Butyl\n\n$$$$\no-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 o-C6H4\nM SAP 1 2 2 0 1 1 0 2\nM SDS EXP 1 1\nM MJS SAT 1 o-C6H4\nM END\n> \no-C6H4\n\n> \no-C6H4\n\n$$$$\nCys\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Cys\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nSnMe3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SnMe3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3Sn\nM END\n> \nSnMe3\n\n> \nMe3Sn\n\n$$$$\nCyt\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Cyt\nM SAP 1 2 6 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nCyt\n\n$$$$\nBDAllos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDAllos\n\n$$$$\nEE\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 EE\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nEE\n\n$$$$\nOEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 OEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtO\nM END\n> \nOEt\n\n> \nEtO\n\n$$$$\nc-C7H13\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 c-C7H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C7H13\n\n$$$$\np-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 p-Tolyl\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \np-Tolyl\n\n$$$$\nOnPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OnPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 nPrO\nM END\n> \nOnPr\n\n> \nnPrO\n\n$$$$\nSi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Si-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrS\nM END\n> \nSi-Pr\n\n> \ni-PrS\n\n$$$$\nDPTBS\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 6 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 DPTBS\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nDPTBS\n\n$$$$\nNHAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmNH\nM END\n> \nNHAm\n\n> \nAmNH\n\n$$$$\nHmb\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Hmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nHmb\n\n$$$$\nU\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3819 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 5 14 1 6 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 U\nM SDS EXP 1 1\nM END\n> \nU\n\n$$$$\nAsu\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 2.1434 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Asu\nM SAP 1 2 1 0 1 11 0 2\nM SDS EXP 1 1\nM END\n> \nAsu\n\n$$$$\nEt\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Et\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nEt\n\n$$$$\nAsx\n Mrv15c7 12111511552D \n\n 8 7 1 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 5 F 2 7 8\nM ALS 5 2 F N O \nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asx\nM SAP 1 2 1 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADRibop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADRibop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADRibop\n\n$$$$\nZ\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Z\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nZ\n\n$$$$\nIps\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ips\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nIps\n\n$$$$\nNHBn\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NHBn\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnNH\nM END\n> \nNHBn\n\n> \nBnNH\n\n$$$$\nIPA\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 IPA\nM SDS EXP 1 1\nM END\n> \nIPA\n\n$$$$\nOBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuO\nM END\n> \nOBu\n\n> \nBuO\n\n$$$$\nc-Hx\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 c-Hx\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nc-Hx\n\n$$$$\nNHt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHt-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmNH\nM END\n> \nNHt-Am\n\n> \nt-AmNH\n\n$$$$\nn-Hex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-Hex\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Hex\n\n$$$$\nOBz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 OBz\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BzO\nM END\n> \nOBz\n\n> \nBzO\n\n$$$$\nNHBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuNH\nM END\n> \nNHBu\n\n> \nBuNH\n\n$$$$\nAsn\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asn\nM SAP 1 3 1 0 Al 7 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADFruct\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADFruct\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADFruct\n\n$$$$\nMgBr\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 MgBr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BrMg\nM END\n> \nMgBr\n\n> \nBrMg\n\n$$$$\nAsp\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asp\nM SAP 1 3 1 0 Al 7 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\niAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 iAm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \niAm\n\n$$$$\nFt\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n -1.4534 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6284 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3984 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3984 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Ft\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFt\n\n$$$$\nADIdose\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADIdose\n\n$$$$\nH2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 1.6500 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 H2\nM SDS EXP 1 1\nM END\n> \nH2\n\n$$$$\nOTBDMS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTBDMS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TBDMSO\nM END\n> \nOTBDMS\n\n> \nTBDMSO\n\n$$$$\nOPfp\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 OPfp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PfpO\nM END\n> \nOPfp\n\n> \nPfpO\n\n$$$$\nt-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-C4H9\n\n$$$$\nc-C20H39\n Mrv15c7 12111511552D \n\n 20 20 0 0 0 0 999 V2000\n 2.8579 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3743 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1897 2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4887 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9723 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2712 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7548 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0538 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5374 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8364 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3199 -3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5045 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2056 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3902 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0912 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6076 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3086 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8251 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5261 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0425 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 1 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 c-C20H39\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C20H39\n\n$$$$\niBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 iBu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \niBu\n\n$$$$\nPiv\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Piv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPiv\n\n$$$$\nProp\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Prop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nProp\n\n$$$$\nAmyl\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Amyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAmyl\n\n$$$$\nPic\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pic\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPic\n\n$$$$\nPCl5\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.4924 0.4849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5701 -0.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4924 -0.4849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5701 0.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 PCl5\nM SDS EXP 1 1\nM END\n> \nPCl5\n\n$$$$\nPiP\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.1105 -2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6039 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 2 0 0 0 0\nM CHG 3 1 -1 6 -1 7 -1\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PiP\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PPi\nM END\n> \nPiP\n\n> \nPPi\n\n$$$$\nC25H51\n Mrv15c7 12111511552D \n\n 25 24 0 0 0 0 999 V2000\n 12.8980 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3270 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0414 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7559 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4704 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1849 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8993 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6138 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3283 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0427 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7572 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4717 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1862 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9006 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.6151 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3296 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0440 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.7585 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4730 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.1874 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.9019 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.6164 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.3309 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.0453 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 C25H51\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H51C25\nM END\n> \nC25H51\n\n> \nH51C25\n\n$$$$\nPCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PCl3\nM SDS EXP 1 1\nM END\n> \nPCl3\n\n$$$$\nCOOAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmOOC\nM END\n> \nCOOAm\n\n> \nAmOOC\n\n$$$$\nAIBN\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 2.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -2.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 3 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 AIBN\nM SDS EXP 1 1\nM END\n> \nAIBN\n\n$$$$\nPht\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.4125 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Pht\nM SAP 1 2 2 0 1 9 0 2\nM SDS EXP 1 1\nM END\n> \nPht\n\n$$$$\nc-C18H35\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 2.5006 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9924 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1398 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6480 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9758 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4841 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3202 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5006 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0089 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8615 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3533 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0255 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5172 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6811 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 c-C18H35\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C18H35\n\n$$$$\nNHAc\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHAc\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AcNH\nM END\n> \nNHAc\n\n> \nAcNH\n\n$$$$\nm-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 m-Tol\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nm-Tol\n\n$$$$\nPhe\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7125 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7125 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Phe\nM SAP 1 2 1 0 Al 10 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADThreo\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ADThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADThreo\n\n$$$$\nH2SO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H2SO4\nM SDS EXP 1 1\nM END\n> \nH2SO4\n\n$$$$\nC8\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.0000 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4241 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1701 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8482 -0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5942 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2723 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0183 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 C8\nM SAP 1 2 1 0 1 8 0 2\nM SDS EXP 1 1\nM END\n> \nC8\n\n$$$$\nC7\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 C7\nM SAP 1 2 1 0 1 7 0 2\nM SDS EXP 1 1\nM END\n> \nC7\n\n$$$$\nC9\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 C9\nM SAP 1 2 1 0 1 9 0 2\nM SDS EXP 1 1\nM END\n> \nC9\n\n$$$$\nC4\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.0000 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 C4\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nC4\n\n$$$$\nC3\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 C3\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nC3\n\n$$$$\nC6\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.0000 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7571 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4195 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1766 -0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8390 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5961 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6\nM SAP 1 2 1 0 1 6 0 2\nM SDS EXP 1 1\nM END\n> \nC6\n\n$$$$\nC5\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 C5\nM SAP 1 2 1 0 1 5 0 2\nM SDS EXP 1 1\nM END\n> \nC5\n\n$$$$\nNHn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHn-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuNH\nM END\n> \nNHn-Bu\n\n> \nn-BuNH\n\n$$$$\ni-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 i-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-C4H9\n\n$$$$\nSO3H\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO3H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO3S\nM END\n> \nSO3H\n\n> \nHO3S\n\n$$$$\nCOOneoAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOneoAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmOOC\nM END\n> \nCOOneoAm\n\n> \nneoAmOOC\n\n$$$$\nBDThreo\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 BDThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDThreo\n\n$$$$\nAc\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Ac\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAc\n\n$$$$\nAd\n Mrv15c7 12111511552D \n\n 10 12 0 0 0 0 999 V2000\n 0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ad\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAd\n\n$$$$\nAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAm\n\n$$$$\nTacm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Tacm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTacm\n\n$$$$\nSuc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Suc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nSuc\n\n$$$$\nC2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 C2\nM SAP 1 2 1 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nC2\n\n$$$$\nc-C10H19\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 c-C10H19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C10H19\n\n$$$$\nOSiME3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OSiME3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiMe3O\nM END\n> \nOSiME3\n\n> \nSiMe3O\n\n$$$$\nPhF\n Mrv15c7 12111511552D \n\n 19 22 0 0 0 0 999 V2000\n 1.9339 -3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6484 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6484 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 7 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 PhF\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nPhF\n\n$$$$\n2-Fur\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 2-Fur\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \n2-Fur\n\n$$$$\nHis\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.8625 1.9393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 2.3518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8625 3.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 4 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 His\nM SAP 1 3 1 0 Al 9 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBu\n\n$$$$\nBt\n Mrv15c7 12111511552D \n\n 9 10 0 0 0 0 999 V2000\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 1 9 1 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Bt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBt\n\n$$$$\nBs\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Bs\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nBs\n\n$$$$\nNHn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHn-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmNH\nM END\n> \nNHn-Am\n\n> \nn-AmNH\n\n$$$$\nPfp\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Pfp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nPfp\n\n$$$$\nBz\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Bz\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBz\n\n$$$$\nc-C6H11\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 c-C6H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C6H11\n\n$$$$\nBDArabif\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDArabif\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDArabif\n\n$$$$\nSta\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -1.9393 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9339 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6464 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2214 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2214 0.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.9339 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5036 0.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.2143 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5036 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2143 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9268 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Sta\nM SAP 1 2 6 0 Al 10 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CO\nM SAP 1 2 1 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nCO\n\n$$$$\nBn\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Bn\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBn\n\n$$$$\nOn-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 On-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-PrO\nM END\n> \nOn-Pr\n\n> \nn-PrO\n\n$$$$\nBDArabip\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDArabip\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDArabip\n\n$$$$\nCN\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NC\nM END\n> \nCN\n\n> \nNC\n\n$$$$\nOSiEt3\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OSiEt3\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiEt3O\nM END\n> \nOSiEt3\n\n> \nSiEt3O\n\n$$$$\nTMAH\n Mrv15c7 12111511552D \n\n 6 4 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM CHG 2 2 1 6 -1\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 TMAH\nM SDS EXP 1 1\nM END\n> \nTMAH\n\n$$$$\nCO2neo-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2neo-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmO2C\nM END\n> \nCO2neo-Am\n\n> \nneo-AmO2C\n\n$$$$\nCOCl\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COCl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClCO\nM END\n> \nCOCl\n\n> \nClCO\n\n$$$$\nADArabip\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADArabip\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADArabip\n\n$$$$\nH2O2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 H2O2\nM SDS EXP 1 1\nM END\n> \nH2O2\n\n$$$$\nTec\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Tec\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nTec\n\n$$$$\ni-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 i-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-Am\n\n$$$$\nCOOEt\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COOEt\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtOOC\nM END\n> \nCOOEt\n\n> \nEtOOC\n\n$$$$\nLev\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Lev\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nLev\n\n$$$$\nLeu\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Leu\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADLyxof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADLyxof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADLyxof\n\n$$$$\nTcp\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Tcp\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nTcp\n\n$$$$\nCOCO\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COCO\nM SAP 1 2 3 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nCOCO\n\n$$$$\nN3\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 N3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nN3\n\n$$$$\nCOBr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COBr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BrCO\nM END\n> \nCOBr\n\n> \nBrCO\n\n$$$$\nN2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 N2\nM SDS EXP 1 1\nM END\n> \nN2\n\n$$$$\nCOBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuCO\nM END\n> \nCOBu\n\n> \nBuCO\n\n$$$$\nC23H47\n Mrv15c7 12111511552D \n\n 23 22 0 0 0 0 999 V2000\n 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3789 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 C23H47\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H47C23\nM END\n> \nC23H47\n\n> \nH47C23\n\n$$$$\nHcy\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Hcy\nM SAP 1 3 1 0 Al 6 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nMe\n Mrv15c7 12111511552D \n\n 1 0 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 1 1\nM SMT 1 Me\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMe\n\n$$$$\nCO2i-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2i-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmO2C\nM END\n> \nCO2i-Am\n\n> \ni-AmO2C\n\n$$$$\nADXylop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADXylop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADXylop\n\n$$$$\nEDC\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -3.0493 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6204 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 EDC\nM SDS EXP 1 1\nM END\n> \nEDC\n\n$$$$\nNC\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NC\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CN\nM END\n> \nNC\n\n> \nCN\n\n$$$$\nCOOBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuOOC\nM END\n> \nCOOBu\n\n> \nBuOOC\n\n$$$$\nCO2n-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2n-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuO2C\nM END\n> \nCO2n-Bu\n\n> \nn-BuO2C\n\n$$$$\nPcb\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pcb\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPcb\n\n$$$$\n4Abz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 4Abz\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \n4Abz\n\n$$$$\nneo-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neo-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneo-C5H11\n\n$$$$\nADXylof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADXylof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADXylof\n\n$$$$\nMs\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Ms\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nMs\n\n$$$$\nO2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 O2\nM SDS EXP 1 1\nM END\n> \nO2\n\n$$$$\nNO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ON\nM END\n> \nNO\n\n> \nON\n\n$$$$\nOK\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OK\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KO\nM END\n> \nOK\n\n> \nKO\n\n$$$$\nXan\n Mrv15c7 12111511552D \n\n 14 16 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 2 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Xan\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nXan\n\n$$$$\nADLyxop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADLyxop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADLyxop\n\n$$$$\nCOOBn\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 COOBn\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnOOC\nM END\n> \nCOOBn\n\n> \nBnOOC\n\n$$$$\nTrisyl\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 6 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 4 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 10 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Trisyl\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nTrisyl\n\n$$$$\nDMAP\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DMAP\nM SDS EXP 1 1\nM END\n> \nDMAP\n\n$$$$\nSiEt3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SiEt3\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et3Si\nM END\n> \nSiEt3\n\n> \nEt3Si\n\n$$$$\nDdz\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7309 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5559 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 7 10 2 0 0 0 0\n 3 10 1 0 0 0 0\n 5 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Ddz\nM SAP 1 1 15 0 1\nM SDS EXP 1 1\nM END\n> \nDdz\n\n$$$$\nNs\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Ns\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNs\n\n$$$$\nDPIPS\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 DPIPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDPIPS\n\n$$$$\nCO2n-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2n-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmO2C\nM END\n> \nCO2n-Am\n\n> \nn-AmO2C\n\n$$$$\nDSorbo\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DSorbo\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDSorbo\n\n$$$$\nMEM\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 MEM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMEM\n\n$$$$\nNp\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Np\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nNp\n\n$$$$\nHex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Hex\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nHex\n\n$$$$\nKMnO4\n Mrv15c7 12111511552D \n\n 6 4 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 3 6 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 KMnO4\nM SDS EXP 1 1\nM END\n> \nKMnO4\n\n$$$$\nPbp\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Pbp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nPbp\n\n$$$$\nDRibul\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DRibul\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDRibul\n\n$$$$\nC3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 C3H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H7C3\nM END\n> \nC3H7\n\n> \nH7C3\n\n$$$$\ni-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 i-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-Bu\n\n$$$$\nVal\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Val\nM SAP 1 2 5 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nDIAD\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 9 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DIAD\nM SDS EXP 1 1\nM END\n> \nDIAD\n\n$$$$\nMe3N\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Me3N\nM SDS EXP 1 1\nM END\n> \nMe3N\n\n$$$$\nPbf\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7798 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6818 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6818 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4223 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 5 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pbf\nM SAP 1 1 15 0 1\nM SDS EXP 1 1\nM END\n> \nPbf\n\n$$$$\nDde\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dde\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDde\n\n$$$$\nNHiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmNH\nM END\n> \nNHiAm\n\n> \niAmNH\n\n$$$$\nOCN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 OCN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NCO\nM END\n> \nOCN\n\n> \nNCO\n\n$$$$\nOBn\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OBn\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnO\nM END\n> \nOBn\n\n> \nBnO\n\n$$$$\nc-C21H41\n Mrv15c7 12111511552D \n\n 21 21 0 0 0 0 999 V2000\n 3.3596 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9899 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6909 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4939 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8853 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4504 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8400 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4050 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7947 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3597 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5351 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1002 -3.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2756 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8860 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3209 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9313 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3662 -0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9766 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4115 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0219 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4569 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 1 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 c-C21H41\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C21H41\n\n$$$$\nDTagat\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DTagat\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDTagat\n\n$$$$\nc-C25H49\n Mrv15c7 12111511552D \n\n 25 25 0 0 0 0 999 V2000\n 4.0795 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7073 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4104 3.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2171 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6122 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1806 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5736 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1419 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5349 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1032 -1.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4962 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0645 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2398 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8081 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9834 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5904 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0221 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6291 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0608 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6678 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0995 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7065 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1382 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7452 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1769 3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 1 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 c-C25H49\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C25H49\n\n$$$$\nI2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 I2\nM SDS EXP 1 1\nM END\n> \nI2\n\n$$$$\nOTIPS\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTIPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TIPSO\nM END\n> \nOTIPS\n\n> \nTIPSO\n\n$$$$\nCO2tAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2tAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmO2C\nM END\n> \nCO2tAm\n\n> \ntAmO2C\n\n$$$$\nPac\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Pac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPac\n\n$$$$\nOH2+\n Mrv15c7 12111511552D \n\n 1 0 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 1\nM STY 1 1 SUP\nM SAL 1 1 1\nM SMT 1 OH2+\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 +H2O\nM END\n> \nOH2+\n\n> \n+H2O\n\n$$$$\nOneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmO\nM END\n> \nOneoAm\n\n> \nneoAmO\n\n$$$$\nCPh3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 CPh3\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph3C\nM END\n> \nCPh3\n\n> \nPh3C\n\n$$$$\nPal\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pal\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nPal\n\n$$$$\nAc2O\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Ac2O\nM SDS EXP 1 1\nM END\n> \nAc2O\n\n$$$$\nBDLyxop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDLyxop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDLyxop\n\n$$$$\nNHt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHt-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuNH\nM END\n> \nNHt-Bu\n\n> \nt-BuNH\n\n$$$$\nOAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmO\nM END\n> \nOAm\n\n> \nAmO\n\n$$$$\n2ClZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 2ClZ\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \n2ClZ\n\n$$$$\nXaa\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Xaa\nM SAP 1 2 1 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Oi-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmO\nM END\n> \nOi-Am\n\n> \ni-AmO\n\n$$$$\nBDLyxof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDLyxof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDLyxof\n\n$$$$\nOAc\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OAc\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AcO\nM END\n> \nOAc\n\n> \nAcO\n\n$$$$\nOTos\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTos\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TosO\nM END\n> \nOTos\n\n> \nTosO\n\n$$$$\nMCA\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 7 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 3 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 MCA\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMCA\n\n$$$$\nDan\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 4 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dan\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDan\n\n$$$$\nIm\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Im\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nIm\n\n$$$$\nBam\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Bam\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBam\n\n$$$$\nFarnesyl\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Farnesyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFarnesyl\n\n$$$$\nc-C24H47\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7521 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 1 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 c-C24H47\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C24H47\n\n$$$$\nDRibos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DRibos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDRibos\n\n$$$$\nCO2tBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2tBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuO2C\nM END\n> \nCO2tBu\n\n> \ntBuO2C\n\n$$$$\nCO2i-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2i-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-BuO2C\nM END\n> \nCO2i-Bu\n\n> \ni-BuO2C\n\n$$$$\nt-Butyl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-Butyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-Butyl\n\n$$$$\nDErythu\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DErythu\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDErythu\n\n$$$$\nCOOn-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOn-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmOOC\nM END\n> \nCOOn-Am\n\n> \nn-AmOOC\n\n$$$$\nDEryth\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDEryth\n\n$$$$\nIBX\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n 0.4243 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4743 -2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 2 12 1 0 0 0 0\n 7 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 IBX\nM SDS EXP 1 1\nM END\n> \nIBX\n\n$$$$\nCONEt2\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CONEt2\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et2NCO\nM END\n> \nCONEt2\n\n> \nEt2NCO\n\n$$$$\nOTre\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OTre\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TreO\nM END\n> \nOTre\n\n> \nTreO\n\n$$$$\nt-C6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 t-C6H13\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nt-C6H13\n\n$$$$\nCOsBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COsBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuCO\nM END\n> \nCOsBu\n\n> \nsBuCO\n\n$$$$\nCOCF3\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COCF3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CF3CO\nM END\n> \nCOCF3\n\n> \nCF3CO\n\n$$$$\nCOOneo-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOneo-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmOOC\nM END\n> \nCOOneo-Am\n\n> \nneo-AmOOC\n\n$$$$\nDdiv\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Ddiv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDdiv\n\n$$$$\nTBAF\n Mrv15c7 12111511552D \n\n 18 16 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 F 0 5 0 0 0 0 0 0 0 0 0 0\n 3.4032 2.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 2.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 0.2942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.8321 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 -0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 -2.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0071 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5946 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7696 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3571 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6571 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0696 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6571 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM CHG 2 1 -1 6 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 TBAF\nM SDS EXP 1 1\nM END\n> \nTBAF\n\n$$$$\nTFMSA\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 TFMSA\nM SDS EXP 1 1\nM END\n> \nTFMSA\n\n$$$$\ncHx\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cHx\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncHx\n\n$$$$\nEDCI\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -3.0493 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6204 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 EDCI\nM SDS EXP 1 1\nM END\n> \nEDCI\n\n$$$$\nster\n Mrv15c7 12111511552D \n\n 17 20 0 0 0 0 999 V2000\n 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 10 15 1 0 0 0 0\n 7 16 1 0 0 0 0\n 3 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 ster\nM SDS EXP 1 1\nM END\n> \nster\n\n$$$$\nDIEA\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DIEA\nM SDS EXP 1 1\nM END\n> \nDIEA\n\n$$$$\nMOM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MOM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMOM\n\n$$$$\nSiMe3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SiMe3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3Si\nM END\n> \nSiMe3\n\n> \nMe3Si\n\n$$$$\nTosyl\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTosyl\n\n$$$$\ns-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 s-Am\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Am\n\n$$$$\nCOONa\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COONa\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaOOC\nM END\n> \nCOONa\n\n> \nNaOOC\n\n$$$$\nHSO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 1 3 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HSO4\nM SDS EXP 1 1\nM END\n> \nHSO4\n\n$$$$\nDmnb\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 3 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Dmnb\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nDmnb\n\n$$$$\nCOOn-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOn-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuOOC\nM END\n> \nCOOn-Bu\n\n> \nn-BuOOC\n\n$$$$\nCBr3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CBr3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Br3C\nM END\n> \nCBr3\n\n> \nBr3C\n\n$$$$\nDXylos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DXylos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDXylos\n\n$$$$\n4-OMe-Bz\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 4-OMe-Bz\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n4-OMe-Bz\n\n$$$$\nEDANS\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0329 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6829 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 5 14 1 0 0 0 0\n 10 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\n 15 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 EDANS\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nEDANS\n\n$$$$\nCOtBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuCO\nM END\n> \nCOtBu\n\n> \ntBuCO\n\n$$$$\nHMPA\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 HMPA\nM SDS EXP 1 1\nM END\n> \nHMPA\n\n$$$$\nTs\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ts\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTs\n\n$$$$\nTMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.1067 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6078 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6078 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 3.1152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 2.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.6548 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9097 1.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.4248 0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7347 1.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.2197 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8841 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3690 -1.0679 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8539 -1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7016 -1.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0365 -0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9897 1.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0367 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0367 4.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 5.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 12 15 2 0 0 0 0\n 9 16 1 0 0 0 0\n 5 16 1 0 0 0 0\n 4 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 2 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 TMP\nM SDS EXP 1 1\nM END\n> \nTMP\n\n$$$$\nTMT\n Mrv15c7 12111511552D \n\n 25 27 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5724 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 10 17 1 0 0 0 0\n 9 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 21 24 1 0 0 0 0\n 24 25 2 0 0 0 0\n 18 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 TMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nTMT\n\n$$$$\nTMS\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 TMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTMS\n\n$$$$\nm-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 m-Phenylene\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nm-Phenylene\n\n$$$$\nTf\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Tf\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTf\n\n$$$$\nAac\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Aac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAac\n\n$$$$\nDmoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Dmoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDmoc\n\n$$$$\nNva\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Nva\nM SAP 1 2 5 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nN+Me3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 1 2 1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 N+Me3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3N+\nM END\n> \nN+Me3\n\n> \nMe3N+\n\n$$$$\nCOOMe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COOMe\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeOOC\nM END\n> \nCOOMe\n\n> \nMeOOC\n\n$$$$\nSu\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Su\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nSu\n\n$$$$\nAbu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Abu\nM SAP 1 2 4 0 Al 5 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nC5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H11C5\nM END\n> \nC5H11\n\n> \nH11C5\n\n$$$$\nCl2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Cl2\nM SDS EXP 1 1\nM END\n> \nCl2\n\n$$$$\nNaph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Naph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNaph\n\n$$$$\nAbz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Abz\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nAbz\n\n$$$$\nAMCA\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 2 15 1 0 0 0 0\n 9 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 AMCA\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nAMCA\n\n$$$$\nDMF\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 DMF\nM SDS EXP 1 1\nM END\n> \nDMF\n\n$$$$\nDME\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DME\nM SDS EXP 1 1\nM END\n> \nDME\n\n$$$$\nOSu\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OSu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SuO\nM END\n> \nOSu\n\n> \nSuO\n\n$$$$\nDMA\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMA\nM SDS EXP 1 1\nM END\n> \nDMA\n\n$$$$\nAcN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 AcN\nM SDS EXP 1 1\nM END\n> \nAcN\n\n$$$$\nMMT\n Mrv15c7 12111511552D \n\n 21 23 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 MMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMMT\n\n$$$$\nBiotinyl\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n -3.8821 0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3301 0.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.9176 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1106 0.5655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0244 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -1.3099 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5955 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1190 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8335 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5480 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2624 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7781 -0.5905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.2260 -1.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1906 -1.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9975 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6106 -1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0838 -0.3130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 5 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 12 13 1 6 0 0 0\n 12 14 1 1 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 1 0 0 0 0\n 2 17 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Biotinyl\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nBiotinyl\n\n$$$$\nc-C12H23\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 c-C12H23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C12H23\n\n$$$$\nDMS\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 DMS\nM SDS EXP 1 1\nM END\n> \nDMS\n\n$$$$\nDMT\n Mrv15c7 12111511552D \n\n 23 25 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 16 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 DMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMT\n\n$$$$\nOTf\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTf\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TfO\nM END\n> \nOTf\n\n> \nTfO\n\n$$$$\nOTs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TsO\nM END\n> \nOTs\n\n> \nTsO\n\n$$$$\nEsc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 4.5375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Esc\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nEsc\n\n$$$$\nC4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H9C4\nM END\n> \nC4H9\n\n> \nH9C4\n\n$$$$\nAcm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Acm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAcm\n\n$$$$\nSs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ss-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmS\nM END\n> \nSs-Am\n\n> \ns-AmS\n\n$$$$\nTHP\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 THP\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTHP\n\n$$$$\nMTBE\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 MTBE\nM SDS EXP 1 1\nM END\n> \nMTBE\n\n$$$$\ncyclobutyl\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 cyclobutyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclobutyl\n\n$$$$\nCONMe2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CONMe2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me2NCO\nM END\n> \nCONMe2\n\n> \nMe2NCO\n\n$$$$\nn-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 n-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C5H11\n\n$$$$\nTHF\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 THF\nM SDS EXP 1 1\nM END\n> \nTHF\n\n$$$$\nCH2CH2Ph\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CH2CH2Ph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhCh2CH2\nM END\n> \nCH2CH2Ph\n\n> \nPhCh2CH2\n\n$$$$\nPv\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Pv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPv\n\n$$$$\nPr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Pr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPr\n\n$$$$\n2BrZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 2BrZ\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \n2BrZ\n\n$$$$\nSer\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ser\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nAde\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 2.7600 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0673 -1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3329 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1208 -2.4452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2970 -2.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6402 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6819 -0.3759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4163 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1090 -0.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ade\nM SAP 1 2 6 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nAde\n\n$$$$\nNHs-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHs-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuNH\nM END\n> \nNHs-Bu\n\n> \ns-BuNH\n\n$$$$\nDGalac\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDGalac\n\n$$$$\nPy\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Py\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPy\n\n$$$$\nGua\n Mrv15c7 12111511552D \n\n 11 12 0 0 0 0 999 V2000\n 3.4524 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7168 -2.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0255 -2.4714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2899 -2.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2455 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4484 -1.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5201 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9368 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8925 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6724 -1.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 4 8 1 0 0 0 0\n 5 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Gua\nM SAP 1 2 8 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nGua\n\n$$$$\nSO2Ph\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 SO2Ph\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhSO2\nM END\n> \nSO2Ph\n\n> \nPhSO2\n\n$$$$\nC24H49\n Mrv15c7 12111511552D \n\n 24 23 0 0 0 0 999 V2000\n 10.9461 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3789 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 C24H49\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H49C24\nM END\n> \nC24H49\n\n> \nH49C24\n\n$$$$\nAlloc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Alloc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nAlloc\n\n$$$$\nCOOPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrOOC\nM END\n> \nCOOPr\n\n> \nPrOOC\n\n$$$$\nCONH2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CONH2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NH2CO\nM END\n> \nCONH2\n\n> \nNH2CO\n\n$$$$\nPh\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPh\n\n$$$$\nc-C14H27\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.7862 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3263 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4064 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8664 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5963 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7862 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2461 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1659 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7060 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9760 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 1 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 c-C14H27\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C14H27\n\n$$$$\nPyl\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 1.6071 -1.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9911 -1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.1875 -1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2250 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3268 0.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0768 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.7946 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7946 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5071 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2196 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6500 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3625 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0804 0.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 6.0804 0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7929 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5107 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 1 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 6 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pyl\nM SAP 1 2 15 0 Al 16 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nn-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 n-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C4H9\n\n$$$$\nCO2iPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2iPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrO2C\nM END\n> \nCO2iPr\n\n> \niPrO2C\n\n$$$$\nDansyl\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 4 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dansyl\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDansyl\n\n$$$$\nAlCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 AlCl3\nM SDS EXP 1 1\nM END\n> \nAlCl3\n\n$$$$\nDHP\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DHP\nM SDS EXP 1 1\nM END\n> \nDHP\n\n$$$$\nOiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrO\nM END\n> \nOiPr\n\n> \niPrO\n\n$$$$\nPOCl3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POCl3\nM SDS EXP 1 1\nM END\n> \nPOCl3\n\n$$$$\nNaNO2\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NaNO2\nM SDS EXP 1 1\nM END\n> \nNaNO2\n\n$$$$\nNaNO3\n Mrv15c7 12111511552D \n\n 5 3 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM CHG 4 1 1 2 -1 3 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NaNO3\nM SDS EXP 1 1\nM END\n> \nNaNO3\n\n$$$$\nTFE\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 TFE\nM SDS EXP 1 1\nM END\n> \nTFE\n\n$$$$\nCOOPh\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 COOPh\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhOOC\nM END\n> \nCOOPh\n\n> \nPhOOC\n\n$$$$\nDIC\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DIC\nM SDS EXP 1 1\nM END\n> \nDIC\n\n$$$$\nNpys\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Npys\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nNpys\n\n$$$$\nSs-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ss-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuS\nM END\n> \nSs-Bu\n\n> \ns-BuS\n\n$$$$\nTES\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TES\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nTES\n\n$$$$\nSK\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SK\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KS\nM END\n> \nSK\n\n> \nKS\n\n$$$$\nSec\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sec\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCOEt\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtCO\nM END\n> \nCOEt\n\n> \nEtCO\n\n$$$$\nIndole\n Mrv15c7 12111511552D \n\n 9 10 0 0 0 0 999 V2000\n -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Indole\nM SDS EXP 1 1\nM END\n> \nIndole\n\n$$$$\nNHs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHs-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmNH\nM END\n> \nNHs-Am\n\n> \ns-AmNH\n\n$$$$\nCOOtAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOtAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmOOC\nM END\n> \nCOOtAm\n\n> \ntAmOOC\n\n$$$$\nOMs\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OMs\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MsO\nM END\n> \nOMs\n\n> \nMsO\n\n$$$$\nC12H25\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 3.5211 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 C12H25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H25C12\nM END\n> \nC12H25\n\n> \nH25C12\n\n$$$$\nKOH\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 KOH\nM SDS EXP 1 1\nM END\n> \nKOH\n\n$$$$\ni-Pr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 i-Pr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ni-Pr\n\n$$$$\nSO2Cl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO2Cl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClSO2\nM END\n> \nSO2Cl\n\n> \nClSO2\n\n$$$$\ntAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 tAm\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \ntAm\n\n$$$$\nt-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-Bu\n\n$$$$\nCOSH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COSH\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HSCO\nM END\n> \nCOSH\n\n> \nHSCO\n\n$$$$\nNle\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Nle\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeO\nM END\n> \nOMe\n\n> \nMeO\n\n$$$$\nCpm\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.2382 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Cpm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCpm\n\n$$$$\nTcboc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tcboc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTcboc\n\n$$$$\nUra\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ura\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nUra\n\n$$$$\nBenzyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Benzyl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBenzyl\n\n$$$$\nONp\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\nM CHG 2 8 1 9 -1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ONp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NpO\nM END\n> \nONp\n\n> \nNpO\n\n$$$$\nSneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmS\nM END\n> \nSneoAm\n\n> \nneoAmS\n\n$$$$\nONa\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 ONa\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaO\nM END\n> \nONa\n\n> \nNaO\n\n$$$$\ni-C3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 i-C3H7\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ni-C3H7\n\n$$$$\ntBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 tBu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ntBu\n\n$$$$\nBDEryth\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 BDEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDEryth\n\n$$$$\nMDPS\n Mrv15c7 12111511552D \n\n 14 15 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 9 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 MDPS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nMDPS\n\n$$$$\nBhoc\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 4 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Bhoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBhoc\n\n$$$$\nCO2n-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2n-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-PrO2C\nM END\n> \nCO2n-Pr\n\n> \nn-PrO2C\n\n$$$$\nt-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-Am\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nt-Am\n\n$$$$\nPro\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n -0.1446 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pro\nM SAP 1 2 7 0 Al 2 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nAcet\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Acet\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAcet\n\n$$$$\nEtOH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 EtOH\nM SDS EXP 1 1\nM END\n> \nEtOH\n\n$$$$\nOMe3Si\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OMe3Si\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiMe3O\nM END\n> \nOMe3Si\n\n> \nSiMe3O\n\n$$$$\nTIPS\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 TIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nTIPS\n\n$$$$\nBDGulos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGulos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGulos\n\n$$$$\nCOPh\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COPh\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhCO\nM END\n> \nCOPh\n\n> \nPhCO\n\n$$$$\nBDGluco\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGluco\n\n$$$$\nCOPr\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrCO\nM END\n> \nCOPr\n\n> \nPrCO\n\n$$$$\nH3PO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H3PO4\nM SDS EXP 1 1\nM END\n> \nH3PO4\n\n$$$$\nNMe2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NMe2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me2N\nM END\n> \nNMe2\n\n> \nMe2N\n\n$$$$\n4BrZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 4BrZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n4BrZ\n\n$$$$\nDPsico\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DPsico\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDPsico\n\n$$$$\ns-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 s-C5H11\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-C5H11\n\n$$$$\nBDXylof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDXylof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDXylof\n\n$$$$\nC6H5\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6H5\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nC6H5\n\n$$$$\nAla\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 6 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ala\nM SAP 1 2 3 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOLi\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OLi\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 LiO\nM END\n> \nOLi\n\n> \nLiO\n\n$$$$\nCO2iBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2iBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iBuO2C\nM END\n> \nCO2iBu\n\n> \niBuO2C\n\n$$$$\nC7H15\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 C7H15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H15C7\nM END\n> \nC7H15\n\n> \nH15C7\n\n$$$$\nBDXylop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDXylop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDXylop\n\n$$$$\nMTM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MTM\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMTM\n\n$$$$\nc-C17H33\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 2.6371 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2708 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9690 1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7669 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1531 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7137 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0987 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 -1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8348 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3954 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1860 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6255 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2405 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6799 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7343 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 c-C17H33\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C17H33\n\n$$$$\nHClO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HClO4\nM SDS EXP 1 1\nM END\n> \nHClO4\n\n$$$$\nAMP\n Mrv15c7 12111511552D \n\n 23 25 0 0 1 0 999 V2000\n 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7846 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7846 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0396 1.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.8242 2.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8242 2.9445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -2.4916 3.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4054 4.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0728 4.7348 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7403 5.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5879 5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5577 4.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0396 3.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7846 3.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5546 2.5320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.2704 2.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 7 6 1 6 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 12 15 2 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 16 18 1 0 0 0 0\n 7 18 1 0 0 0 0\n 18 19 1 1 0 0 0\n 6 20 1 0 0 0 0\n 3 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 2 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 AMP\nM SDS EXP 1 1\nM END\n> \nAMP\n\n$$$$\nAll\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 All\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAll\n\n$$$$\nNps\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Nps\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNps\n\n$$$$\ns-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-C4H9\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-C4H9\n\n$$$$\nCO2iAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2iAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmO2C\nM END\n> \nCO2iAm\n\n> \niAmO2C\n\n$$$$\nOs-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Os-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuO\nM END\n> \nOs-Bu\n\n> \ns-BuO\n\n$$$$\nMSM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MSM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMSM\n\n$$$$\nCOOK\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COOK\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KOOC\nM END\n> \nCOOK\n\n> \nKOOC\n\n$$$$\nCOOH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COOH\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HOOC\nM END\n> \nCOOH\n\n> \nHOOC\n\n$$$$\nNpe\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\nM CHG 2 9 1 10 -1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Npe\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNpe\n\n$$$$\nCOiPr\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrCO\nM END\n> \nCOiPr\n\n> \niPrCO\n\n$$$$\nDNPS\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\nM CHG 4 1 -1 2 1 11 1 12 -1\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 DNPS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nDNPS\n\n$$$$\nTPP\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM CHG 1 7 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 TPP\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTPP\n\n$$$$\nHippuryl\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Hippuryl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nHippuryl\n\n$$$$\ncycloheptyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 cycloheptyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncycloheptyl\n\n$$$$\nC16\n Mrv15c7 12111511552D \n\n 16 15 0 0 0 0 999 V2000\n 0.0000 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7298 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4279 -0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1577 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8558 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5856 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2837 -0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0135 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7115 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4413 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1394 -0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8692 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5673 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2971 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9952 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7250 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 C16\nM SAP 1 2 1 0 1 16 0 2\nM SDS EXP 1 1\nM END\n> \nC16\n\n$$$$\nC17\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 C17\nM SAP 1 2 1 0 1 17 0 2\nM SDS EXP 1 1\nM END\n> \nC17\n\n$$$$\nC18\n Mrv15c7 12111511552D \n\n 18 17 0 0 0 0 999 V2000\n 0.0000 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7281 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4281 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1562 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8562 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5843 -0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2844 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0124 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7125 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4405 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1406 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8687 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5687 -0.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2968 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9968 -0.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7249 -0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4249 -0.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1530 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 C18\nM SAP 1 2 1 0 1 18 0 2\nM SDS EXP 1 1\nM END\n> \nC18\n\n$$$$\nC19\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 C19\nM SAP 1 2 1 0 1 19 0 2\nM SDS EXP 1 1\nM END\n> \nC19\n\n$$$$\nCoA\n Mrv15c7 12111511552D \n\n 48 50 0 0 1 0 999 V2000\n 5.9065 -7.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3190 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7315 -5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6045 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8900 -6.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1755 -6.2957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7630 -7.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5880 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4611 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7466 -6.2957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1591 -7.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3341 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0321 -6.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3177 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6032 -6.7082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.5169 -7.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2900 -7.7002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7025 -6.9857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.5230 -6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1505 -6.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3220 -5.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2911 -5.0136 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8431 -5.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2610 -4.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9042 -4.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6256 -8.4539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2131 -9.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7651 -9.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5188 -9.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2725 -9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3587 -10.6019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9399 -9.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8537 -8.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1000 -8.1405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4326 -8.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0334 -7.1207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 7.0334 -7.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7479 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7479 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4624 -7.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1768 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8913 -7.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6058 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6058 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3202 -7.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0347 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7492 -7.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4637 -6.7082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 15 14 1 1 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 6 0 0 0\n 18 20 1 0 0 0 0\n 15 20 1 0 0 0 0\n 20 21 1 6 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 2 0 0 0 0\n 17 26 1 1 0 0 0\n 26 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 2 0 0 0 0\n 26 35 1 0 0 0 0\n 29 35 1 0 0 0 0\n 2 36 1 0 0 0 0\n 36 37 1 6 0 0 0\n 36 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 38 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 2 0 0 0 0\n 43 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45\nM SAL 1 3 46 47 48\nM SMT 1 CoA\nM SAP 1 1 48 0 1\nM SDS EXP 1 1\nM END\n> \nCoA\n\n$$$$\ntHex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 tHex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ntHex\n\n$$$$\nGln\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Gln\nM SAP 1 3 1 0 Al 8 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nC10\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7394 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4260 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1654 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8520 -0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5914 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2780 -0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0174 -0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7040 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4435 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 C10\nM SAP 1 2 1 0 1 10 0 2\nM SDS EXP 1 1\nM END\n> \nC10\n\n$$$$\nGlp\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.2804 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3321 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Glp\nM SAP 1 2 8 0 Al 1 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nBOP\n Mrv15c7 12111511552D \n\n 27 27 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 -0.8764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 -0.7049 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 5.3481 -0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6031 0.2513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1181 0.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6031 1.5861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3877 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1022 1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8166 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8166 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1022 0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3877 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7127 -1.5119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4973 -1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0996 -2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3696 0.1021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9827 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5850 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 13 21 1 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 11 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\nM CHG 2 2 -1 11 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27\nM SMT 1 BOP\nM SDS EXP 1 1\nM END\n> \nBOP\n\n$$$$\nC11\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 C11\nM SAP 1 2 1 0 1 11 0 2\nM SDS EXP 1 1\nM END\n> \nC11\n\n$$$$\nOi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Oi-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrO\nM END\n> \nOi-Pr\n\n> \ni-PrO\n\n$$$$\nC12\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 0.0000 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7351 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4270 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1621 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8540 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5891 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2809 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0160 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7079 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4430 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8700 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 C12\nM SAP 1 2 1 0 1 12 0 2\nM SDS EXP 1 1\nM END\n> \nC12\n\n$$$$\nC13\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 C13\nM SAP 1 2 1 0 1 13 0 2\nM SDS EXP 1 1\nM END\n> \nC13\n\n$$$$\nC14\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 0.0000 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4275 -0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1596 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8551 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5871 -0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2826 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0147 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7101 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4422 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1377 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8697 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5652 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2973 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 C14\nM SAP 1 2 1 0 1 14 0 2\nM SDS EXP 1 1\nM END\n> \nC14\n\n$$$$\nC20H41\n Mrv15c7 12111511552D \n\n 20 19 0 0 0 0 999 V2000\n 8.4711 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4737 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1881 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6171 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3315 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 C20H41\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H41C20\nM END\n> \nC20H41\n\n> \nH41C20\n\n$$$$\nC15\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 C15\nM SAP 1 2 1 0 1 15 0 2\nM SDS EXP 1 1\nM END\n> \nC15\n\n$$$$\nGlu\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Glu\nM SAP 1 3 1 0 Al 8 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nGlx\n Mrv15c7 12111511552D \n\n 9 8 1 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 6 F 2 7 8\nM ALS 6 2 F N O \nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Glx\nM SAP 1 2 1 0 Al 8 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADTagat\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADTagat\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADTagat\n\n$$$$\nGly\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Gly\nM SAP 1 2 1 0 Al 3 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nDXylul\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DXylul\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDXylul\n\n$$$$\nCH2CH3\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CH2CH3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CH3CH2\nM END\n> \nCH2CH3\n\n> \nCH3CH2\n\n$$$$\no-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 o-Phenylene\nM SAP 1 2 2 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \no-Phenylene\n\n$$$$\nADAltro\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAltro\n\n$$$$\nCOOiPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOiPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrOOC\nM END\n> \nCOOiPr\n\n> \niPrOOC\n\n$$$$\nC25\n Mrv15c7 12111511552D \n\n 25 24 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0039 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4328 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 C25\nM SAP 1 2 1 0 1 25 0 2\nM SDS EXP 1 1\nM END\n> \nC25\n\n$$$$\nC23\n Mrv15c7 12111511552D \n\n 23 22 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0039 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 C23\nM SAP 1 2 1 0 1 23 0 2\nM SDS EXP 1 1\nM END\n> \nC23\n\n$$$$\nC24\n Mrv15c7 12111511552D \n\n 24 23 0 0 0 0 999 V2000\n 0.0000 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7246 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4285 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1531 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8570 -0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5816 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2855 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0101 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7140 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4386 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1425 -0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8671 -0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5710 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2955 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9994 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7240 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4279 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1525 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8564 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5810 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2849 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0095 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7134 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4380 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 C24\nM SAP 1 2 1 0 1 24 0 2\nM SDS EXP 1 1\nM END\n> \nC24\n\n$$$$\nCOMU\n Mrv15c7 12111511552D \n\n 27 26 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 3.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 3.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0218 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3073 2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0218 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 0.5775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -1.4850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -0.2475 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 6.8797 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3073 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5929 0.1650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 17 22 1 0 0 0 0\n 16 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 1 0 0 0 0\n 13 26 1 0 0 0 0\n 26 27 3 0 0 0 0\nM CHG 2 2 -1 23 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27\nM SMT 1 COMU\nM SDS EXP 1 1\nM END\n> \nCOMU\n\n$$$$\nC21\n Mrv15c7 12111511552D \n\n 21 20 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 C21\nM SAP 1 2 1 0 1 21 0 2\nM SDS EXP 1 1\nM END\n> \nC21\n\n$$$$\nC22\n Mrv15c7 12111511552D \n\n 22 21 0 0 0 0 999 V2000\n 0.0000 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7255 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4284 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1539 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8568 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5823 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2852 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0107 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7136 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4391 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1420 -0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8675 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5704 -0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2960 -0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9988 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7244 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4272 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1528 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8556 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5812 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2840 -0.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0096 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 C22\nM SAP 1 2 1 0 1 22 0 2\nM SDS EXP 1 1\nM END\n> \nC22\n\n$$$$\nC20\n Mrv15c7 12111511552D \n\n 20 19 0 0 0 0 999 V2000\n 0.0000 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7267 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4283 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1550 -0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8566 -0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5832 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2848 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0115 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7131 -0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4398 -0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1414 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8681 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5697 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2964 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9980 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7246 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4263 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1529 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8545 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5812 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 C20\nM SAP 1 2 1 0 1 20 0 2\nM SDS EXP 1 1\nM END\n> \nC20\n\n$$$$\nCOOtBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOtBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuOOC\nM END\n> \nCOOtBu\n\n> \ntBuOOC\n\n$$$$\np-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 p-C6H4\nM SAP 1 2 4 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \np-C6H4\n\n$$$$\nTNP\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 6 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\nM CHG 6 1 -1 2 1 10 1 11 -1 13 1 14 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 TNP\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTNP\n\n$$$$\nAoa\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.5401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8064 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Aoa\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nAoa\n\n$$$$\nPoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Poc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nPoc\n\n$$$$\nHATU\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3112 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -1.3645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.5411 -2.1492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5807 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5807 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 -1.5221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0932 1.3680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 5.9002 1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8382 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\nM CHG 4 2 -1 14 1 15 -1 22 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 HATU\nM SDS EXP 1 1\nM END\n> \nHATU\n\n$$$$\n2-OHEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 2-OHEt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n2-OHEt\n\n$$$$\nCpe\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Cpe\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCpe\n\n$$$$\nOPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrO\nM END\n> \nOPr\n\n> \nPrO\n\n$$$$\nPhacm\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Phacm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPhacm\n\n$$$$\no-Nos\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 o-Nos\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \no-Nos\n\n$$$$\nt-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-C5H11\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nt-C5H11\n\n$$$$\nOleoyl\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n -1.2888 7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5743 7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5743 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1401 5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1401 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8546 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8546 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5691 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Oleoyl\nM SAP 1 1 18 0 1\nM SDS EXP 1 1\nM END\n> \nOleoyl\n\n$$$$\nN2+\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM CHG 1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 N2+\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nN2+\n\n$$$$\nTroc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Troc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTroc\n\n$$$$\nOPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 OPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhO\nM END\n> \nOPh\n\n> \nPhO\n\n$$$$\nBDIdose\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDIdose\n\n$$$$\nCOMe\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeCO\nM END\n> \nCOMe\n\n> \nMeCO\n\n$$$$\nMPM\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 MPM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMPM\n\n$$$$\nOs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Os-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmO\nM END\n> \nOs-Am\n\n> \ns-AmO\n\n$$$$\nN+Et4\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 N+Et4\nM SDS EXP 1 1\nM MJS SAT 1 Et4N+\nM END\n> \nN+Et4\n\n> \nEt4N+\n\n$$$$\nSMPT\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.2700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5401 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3502 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6203 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4304 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9705 -1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7806 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0507 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7004 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8903 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 SMPT\nM SAP 1 2 3 0 1 8 0 2\nM SDS EXP 1 1\nM END\n> \nSMPT\n\n$$$$\nN+Et3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 N+Et3\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et3N+\nM END\n> \nN+Et3\n\n> \nEt3N+\n\n$$$$\nNHi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHi-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrNH\nM END\n> \nNHi-Pr\n\n> \ni-PrNH\n\n$$$$\nCeoc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 -1.0164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Ceoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nCeoc\n\n$$$$\nBum\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Bum\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBum\n\n$$$$\nNHneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmNH\nM END\n> \nNHneo-Am\n\n> \nneo-AmNH\n\n$$$$\nCOOiAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOiAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmOOC\nM END\n> \nCOOiAm\n\n> \niAmOOC\n\n$$$$\nPF6\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\nM CHG 1 2 -1\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 PF6\nM SDS EXP 1 1\nM END\n> \nPF6\n\n$$$$\nDManno\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDManno\n\n$$$$\np-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 p-Phenylene\nM SAP 1 2 4 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \np-Phenylene\n\n$$$$\nBtm\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Btm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBtm\n\n$$$$\nc-C9H17\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 1.1333 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9086 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3211 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1778 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5458 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7208 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0888 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0544 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3581 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 c-C9H17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C9H17\n\n$$$$\nTyr\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n -0.7125 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7125 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Tyr\nM SAP 1 3 1 0 Al 11 0 Br 8 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCOOiBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOiBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iBuOOC\nM END\n> \nCOOiBu\n\n> \niBuOOC\n\n$$$$\nNpes\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\n 7 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 4 14 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Npes\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNpes\n\n$$$$\nDTBS\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 DTBS\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nDTBS\n\n$$$$\nIle\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ile\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\n1-Naph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 1-Naph\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n1-Naph\n\n$$$$\nPyBOP\n Mrv15c7 12111511552D \n\n 33 36 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3537 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8966 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5097 -0.6791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1742 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3167 -0.5076 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 6.1237 -0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3786 0.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8937 1.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3786 1.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1632 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8777 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5922 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5922 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8777 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1632 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4882 -1.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2419 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1556 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3487 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9362 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1452 0.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3915 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4777 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2847 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6972 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 15 23 1 0 0 0 0\n 18 23 1 0 0 0 0\n 13 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 24 28 1 0 0 0 0\n 13 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 29 33 1 0 0 0 0\nM CHG 2 2 -1 13 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 3 31 32 33\nM SMT 1 PyBOP\nM SDS EXP 1 1\nM END\n> \nPyBOP\n\n$$$$\nPI3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PI3\nM SDS EXP 1 1\nM END\n> \nPI3\n\n$$$$\nADManno\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADManno\n\n$$$$\nt-Hex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 t-Hex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nt-Hex\n\n$$$$\ndA\n Mrv15c7 12111511552D \n\n 21 23 0 0 1 0 999 V2000\n 0.6659 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6979 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4279 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2020 -0.9236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7125 -1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2538 -2.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5390 -3.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.3330 -3.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3650 -4.0803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.0507 -4.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9964 -5.3622 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6822 -5.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2563 -5.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5908 -4.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.3666 -5.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5669 -5.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0804 -3.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4599 -2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7620 -2.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0320 -2.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.2643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 7 6 1 1 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 1 1 0 0 0\n 15 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 7 17 1 0 0 0 0\n 6 18 1 0 0 0 0\n 3 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 2 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 dA\nM SAP 1 2 16 0 1 11 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndA\n\n$$$$\ndC\n Mrv15c7 12111511552D \n\n 19 20 0 0 1 0 999 V2000\n 0.2426 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5278 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3408 -0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6260 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4391 -1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0982 -2.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2852 -2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3834 -3.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1774 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2094 -4.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.8951 -4.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8408 -5.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5266 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1007 -5.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4353 -4.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2110 -5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4113 -5.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9248 -3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 9 6 1 1 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 17 18 1 0 0 0 0\n 16 19 1 0 0 0 0\n 9 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 dC\nM SAP 1 2 18 0 1 13 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndC\n\n$$$$\nOTMS\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OTMS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TMSO\nM END\n> \nOTMS\n\n> \nTMSO\n\n$$$$\nBzh\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Bzh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBzh\n\n$$$$\nBzl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Bzl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBzl\n\n$$$$\nBDPsico\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDPsico\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDPsico\n\n$$$$\nDIPEA\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DIPEA\nM SDS EXP 1 1\nM END\n> \nDIPEA\n\n$$$$\nring25\n Mrv15c7 12111511552D \n\n 25 25 0 0 0 0 999 V2000\n 4.0795 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7073 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4104 3.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2171 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6122 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1806 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5736 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1419 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5349 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1032 -1.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4962 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0645 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2398 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8081 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9834 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5904 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0221 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6291 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0608 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6678 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0995 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7065 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1382 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7452 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1769 3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 1 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 ring25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring25\n\n$$$$\nring24\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7521 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 1 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 ring24\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring24\n\n$$$$\nring23\n Mrv15c7 12111511552D \n\n 23 23 0 0 0 0 999 V2000\n 3.7198 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3672 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0536 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1950 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7373 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1029 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6452 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0108 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5531 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9187 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4610 -3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6377 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2721 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4489 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0833 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5409 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1753 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6330 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2674 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7251 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3595 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8172 2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 1 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 ring23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring23\n\n$$$$\nring22\n Mrv15c7 12111511552D \n\n 22 22 0 0 0 0 999 V2000\n 3.2151 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6850 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8595 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3897 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7421 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2722 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6246 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1548 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0373 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2151 -2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7453 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5707 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0405 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6882 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1580 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8056 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2755 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3929 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 1 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 ring22\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring22\n\n$$$$\nring20\n Mrv15c7 12111511552D \n\n 20 20 0 0 0 0 999 V2000\n 2.8579 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3743 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1897 2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4887 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9723 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2712 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7548 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0538 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5374 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8364 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3199 -3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5045 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2056 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3902 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0912 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6076 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3086 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8251 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5261 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0425 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 1 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 ring20\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring20\n\n$$$$\nCO2i-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2i-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrO2C\nM END\n> \nCO2i-Pr\n\n> \ni-PrO2C\n\n$$$$\nring21\n Mrv15c7 12111511552D \n\n 21 21 0 0 0 0 999 V2000\n 3.3596 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9899 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6909 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4939 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8853 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4504 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8400 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4050 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7947 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3597 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5351 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1002 -3.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2756 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8860 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3209 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9313 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3662 -0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9766 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4115 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0219 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4569 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 1 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 ring21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring21\n\n$$$$\nDPPA\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 2.3645 0.1914 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.5230 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 4 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 DPPA\nM SDS EXP 1 1\nM END\n> \nDPPA\n\n$$$$\nCOt-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COt-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuCO\nM END\n> \nCOt-Bu\n\n> \nt-BuCO\n\n$$$$\nc-C4H7\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 c-C4H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C4H7\n\n$$$$\n3Py\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 3Py\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \n3Py\n\n$$$$\nNHneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmNH\nM END\n> \nNHneoAm\n\n> \nneoAmNH\n\n$$$$\nCOOi-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOi-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmOOC\nM END\n> \nCOOi-Am\n\n> \ni-AmOOC\n\n$$$$\nC11H23\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 C11H23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H23C11\nM END\n> \nC11H23\n\n> \nH23C11\n\n$$$$\nADPsico\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADPsico\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADPsico\n\n$$$$\nring19\n Mrv15c7 12111511552D \n\n 19 19 0 0 0 0 999 V2000\n 2.9988 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3335 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4327 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9574 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3036 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8283 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1745 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6992 -2.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8776 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5313 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7097 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3634 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8388 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4925 0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9679 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6216 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0970 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 1 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 ring19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring19\n\n$$$$\nring16\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 2.1434 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7183 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5182 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7432 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1683 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3932 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8183 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0433 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4684 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6685 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4435 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6436 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4187 -0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9936 0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7686 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3435 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 1 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 ring16\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring16\n\n$$$$\nring15\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.2742 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9604 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6081 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3222 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6197 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1086 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4140 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9030 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0866 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7812 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9648 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6594 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1704 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8650 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3760 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 1 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 ring15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring15\n\n$$$$\nring18\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 2.5006 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9924 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1398 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6480 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9758 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4841 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3202 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5006 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0089 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8615 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3533 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0255 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5172 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6811 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 ring18\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring18\n\n$$$$\nring17\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 2.6371 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2708 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9690 1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7669 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1531 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7137 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0987 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 -1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8348 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3954 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1860 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6255 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2405 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6799 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7343 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 ring17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring17\n\n$$$$\nC18H37\n Mrv15c7 12111511552D \n\n 18 17 0 0 0 0 999 V2000\n 7.2336 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 C18H37\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H37C18\nM END\n> \nC18H37\n\n> \nH37C18\n\n$$$$\nring12\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ring12\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring12\n\n$$$$\nring11\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.5424 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2919 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8514 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4477 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6078 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0015 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2138 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0324 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2447 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0633 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6696 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 1 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 ring11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring11\n\n$$$$\nring14\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.7862 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3263 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4064 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8664 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5963 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7862 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2461 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1659 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7060 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9760 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 1 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 ring14\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring14\n\n$$$$\ndT\n Mrv15c7 12111511552D \n\n 20 21 0 0 1 0 999 V2000\n 2.1113 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5834 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8687 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3408 -2.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6260 -3.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4200 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4520 -4.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1378 -4.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0834 -5.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7692 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3434 -5.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6779 -4.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4536 -5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6539 -5.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1674 -3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5278 -2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2426 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7704 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4852 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 7 12 1 0 0 0 0\n 12 13 1 1 0 0 0\n 13 14 1 0 0 0 0\n 12 15 1 0 0 0 0\n 5 15 1 0 0 0 0\n 4 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 2 19 1 0 0 0 0\n 19 20 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 dT\nM SAP 1 2 14 0 1 9 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndT\n\n$$$$\nring13\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 1.9097 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2423 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0331 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4121 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9665 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1424 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6968 -1.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8727 -1.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4942 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9398 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5613 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0069 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 1 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 ring13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring13\n\n$$$$\nring10\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ring10\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring10\n\n$$$$\nCOOi-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOi-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-BuOOC\nM END\n> \nCOOi-Bu\n\n> \ni-BuOOC\n\n$$$$\nBDAltro\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDAltro\n\n$$$$\nCO2neoAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2neoAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmO2C\nM END\n> \nCO2neoAm\n\n> \nneoAmO2C\n\n$$$$\nNaCl\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NaCl\nM SDS EXP 1 1\nM END\n> \nNaCl\n\n$$$$\nNHBoc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NHBoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BocNH\nM END\n> \nNHBoc\n\n> \nBocNH\n\n$$$$\ndG\n Mrv15c7 12111511552D \n\n 22 24 0 0 1 0 999 V2000\n 3.2237 -1.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4072 -1.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1011 -1.9443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2846 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7741 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0320 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8260 -2.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1112 -3.5222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.9051 -3.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9371 -4.5709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.6229 -5.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5686 -5.8528 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2543 -6.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8285 -6.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1630 -4.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.9387 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1390 -5.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6525 -4.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0802 -0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5697 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8967 -0.5301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 4 8 1 0 0 0 0\n 9 8 1 1 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 17 18 1 0 0 0 0\n 16 19 1 0 0 0 0\n 9 19 1 0 0 0 0\n 5 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 2 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 dG\nM SAP 1 2 18 0 1 13 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndG\n\n$$$$\nPMB\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 PMB\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPMB\n\n$$$$\nMMTr\n Mrv15c7 12111511552D \n\n 21 23 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 MMTr\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMMTr\n\n$$$$\nDTalos\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDTalos\n\n$$$$\nHOAt\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HOAt\nM SDS EXP 1 1\nM END\n> \nHOAt\n\n$$$$\nCO2sBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2sBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuO2C\nM END\n> \nCO2sBu\n\n> \nsBuO2C\n\n$$$$\nPMP\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PMP\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nPMP\n\n$$$$\np-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 p-Tol\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \np-Tol\n\n$$$$\nBDRibop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDRibop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDRibop\n\n$$$$\nSn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Sn-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuS\nM END\n> \nSn-Bu\n\n> \nn-BuS\n\n$$$$\nSO2NH2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO2NH2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NH2SO2\nM END\n> \nSO2NH2\n\n> \nNH2SO2\n\n$$$$\nLys\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.0446 1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Lys\nM SAP 1 3 7 0 Al 8 0 Br 1 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nHOBt\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HOBt\nM SDS EXP 1 1\nM END\n> \nHOBt\n\n$$$$\nBDRibof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDRibof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDRibof\n\n$$$$\nOiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmO\nM END\n> \nOiAm\n\n> \niAmO\n\n$$$$\ncHex\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cHex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ncHex\n\n$$$$\nn-C6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-C6H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C6H13\n\n$$$$\nC14H29\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 4.7586 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 C14H29\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H29C14\nM END\n> \nC14H29\n\n> \nH29C14\n\n$$$$\ns-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-Bu\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Bu\n\n$$$$\nMDIPS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 MDIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nMDIPS\n\n$$$$\nTBS\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TBS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTBS\n\n$$$$\nTBT\n Mrv15c7 12111511552D \n\n 33 33 0 0 0 0 999 V2000\n 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0164 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8414 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8414 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0164 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9684 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3184 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2704 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4454 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 1 0 0 0 0\n 8 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 21 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 28 1 0 0 0 0\n 26 29 1 0 0 0 0\n 5 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 30 33 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 3 31 32 33\nM SMT 1 TBT\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTBT\n\n$$$$\nDNBZ\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 8 11 2 0 0 0 0\n 4 11 1 0 0 0 0\n 6 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 2 0 0 0 0\nM CHG 4 1 -1 2 1 12 1 13 -1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DNBZ\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDNBZ\n\n$$$$\ntrans-Cinnamyl\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 trans-Cinnamyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ntrans-Cinnamyl\n\n$$$$\nc-C23H45\n Mrv15c7 12111511552D \n\n 23 23 0 0 0 0 999 V2000\n 3.7198 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3672 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0536 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1950 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7373 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1029 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6452 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0108 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5531 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9187 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4610 -3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6377 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2721 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4489 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0833 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5409 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1753 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6330 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2674 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7251 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3595 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8172 2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 1 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 c-C23H45\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C23H45\n\n$$$$\nPO3H\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 1 1 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO3P\nM END\n> \nPO3H\n\n> \nHO3P\n\n$$$$\nH2PO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H2PO4\nM SDS EXP 1 1\nM END\n> \nH2PO4\n\n$$$$\nOxyma\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Oxyma\nM SDS EXP 1 1\nM END\n> \nOxyma\n\n$$$$\nSn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sn-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmS\nM END\n> \nSn-Am\n\n> \nn-AmS\n\n$$$$\nDEAD\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DEAD\nM SDS EXP 1 1\nM END\n> \nDEAD\n\n$$$$\nMes\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Mes\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMes\n\n$$$$\nDEAE\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 DEAE\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDEAE\n\n$$$$\nMet\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Met\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nNEt2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NEt2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et2N\nM END\n> \nNEt2\n\n> \nEt2N\n\n$$$$\nNEt3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NEt3\nM SDS EXP 1 1\nM MJS SAT 1 Et3N\nM END\n> \nNEt3\n\n> \nEt3N\n\n$$$$\nB2H6\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 B 0 0 0 0 0 4 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 B 0 0 0 0 0 4 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 B2H6\nM SDS EXP 1 1\nM END\n> \nB2H6\n\n$$$$\nPyrim\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Pyrim\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPyrim\n\n$$$$\nMeb\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Meb\nM SDS EXP 1 1\nM END\n> \nMeb\n\n$$$$\nm-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 m-C6H4\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nm-C6H4\n\n$$$$\nneo-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neo-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneo-Am\n\n$$$$\no-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 o-Tolyl\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \no-Tolyl\n\n$$$$\nTDS\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 TDS\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTDS\n\n$$$$\nScm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Scm\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nScm\n\n$$$$\nDmab\n Mrv15c7 12111511552D \n\n 23 24 0 0 0 0 999 V2000\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2494 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 7 13 1 0 0 0 0\n 5 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 18 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 14 22 1 0 0 0 0\n 22 23 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 Dmab\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nDmab\n\n$$$$\nSiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmS\nM END\n> \nSiAm\n\n> \niAmS\n\n$$$$\n5-TAMRA\n Mrv15c7 12111511552D \n\n 31 34 0 0 0 0 999 V2000\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0573 -0.5701 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 14 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 10 21 1 0 0 0 0\n 21 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 2 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 2 0 0 0 0\n 24 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 21 28 1 0 0 0 0\n 22 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 29 31 2 0 0 0 0\nM CHG 2 18 1 30 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 1 31\nM SMT 1 5-TAMRA\nM SAP 1 1 25 0 1\nM SDS EXP 1 1\nM END\n> \n5-TAMRA\n\n$$$$\nTEA\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TEA\nM SDS EXP 1 1\nM END\n> \nTEA\n\n$$$$\nStAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 StAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmS\nM END\n> \nStAm\n\n> \ntAmS\n\n$$$$\nADGalac\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADGalac\n\n$$$$\nCCl4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CCl4\nM SDS EXP 1 1\nM END\n> \nCCl4\n\n$$$$\nStBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 StBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuS\nM END\n> \nStBu\n\n> \ntBuS\n\n$$$$\nSar\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Sar\nM SAP 1 2 2 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CCl3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Cl3C\nM END\n> \nCCl3\n\n> \nCl3C\n\n$$$$\nNosyl\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Nosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nNosyl\n\n$$$$\nNIS\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NIS\nM SDS EXP 1 1\nM END\n> \nNIS\n\n$$$$\nBDSorbo\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDSorbo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDSorbo\n\n$$$$\nNHZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHZ\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ZNH\nM END\n> \nNHZ\n\n> \nZNH\n\n$$$$\nC2H5\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 C2H5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H5C2\nM END\n> \nC2H5\n\n> \nH5C2\n\n$$$$\nFpmp\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 9 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Fpmp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nFpmp\n\n$$$$\nTEMPO\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2822 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8125 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM RAD 1 11 2\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 TEMPO\nM SDS EXP 1 1\nM END\n> \nTEMPO\n\n$$$$\nCOOi-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOi-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrOOC\nM END\n> \nCOOi-Pr\n\n> \ni-PrOOC\n\n$$$$\nPCC\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1397 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1397 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4252 -0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.7107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7107 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM CHG 2 1 -1 9 1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PCC\nM SDS EXP 1 1\nM END\n> \nPCC\n\n$$$$\nADSorbo\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADSorbo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADSorbo\n\n$$$$\nHCl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 HCl\nM SDS EXP 1 1\nM END\n> \nHCl\n\n$$$$\nNBS\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NBS\nM SDS EXP 1 1\nM END\n> \nNBS\n\n$$$$\nEthyl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Ethyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nEthyl\n\n$$$$\nBDManno\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDManno\n\n$$$$\nPipoc\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Pipoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nPipoc\n\n$$$$\nAllyl\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Allyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAllyl\n\n$$$$\nNCO\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NCO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 OCN\nM END\n> \nNCO\n\n> \nOCN\n\n$$$$\nMal\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Mal\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nMal\n\n$$$$\nNCS\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NCS\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SCN\nM END\n> \nNCS\n\n> \nSCN\n\n$$$$\nDLyxos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DLyxos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDLyxos\n\n$$$$\nDDQ\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 3 0 0 0 0\n 7 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 3 0 0 0 0\n 10 13 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DDQ\nM SDS EXP 1 1\nM END\n> \nDDQ\n\n$$$$\nTBMPS\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8414 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0164 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 TBMPS\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nTBMPS\n\n$$$$\nCbz\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Cbz\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nCbz\n\n$$$$\nDCC\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 10 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 DCC\nM SDS EXP 1 1\nM END\n> \nDCC\n\n$$$$\nTrityl\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Trityl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTrityl\n\n$$$$\nDCE\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 DCE\nM SDS EXP 1 1\nM END\n> \nDCE\n\n$$$$\nMbs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Mbs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMbs\n\n$$$$\n2Pip\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2Pip\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \n2Pip\n\n$$$$\nDCB\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DCB\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDCB\n\n$$$$\nOneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Oneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmO\nM END\n> \nOneo-Am\n\n> \nneo-AmO\n\n$$$$\nDCM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 DCM\nM SDS EXP 1 1\nM END\n> \nDCM\n\n$$$$\nc-C19H37\n Mrv15c7 12111511552D \n\n 19 19 0 0 0 0 999 V2000\n 2.9988 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3335 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4327 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9574 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3036 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8283 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1745 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6992 -2.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8776 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5313 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7097 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3634 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8388 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4925 0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9679 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6216 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0970 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 1 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 c-C19H37\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C19H37\n\n$$$$\nMbh\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 8 15 1 0 0 0 0\n 6 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 3 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Mbh\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nMbh\n\n$$$$\nSt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 St-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmS\nM END\n> \nSt-Am\n\n> \nt-AmS\n\n$$$$\nDIdose\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDIdose\n\n$$$$\nDThreo\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDThreo\n\n$$$$\nDAllos\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDAllos\n\n$$$$\nDAltro\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDAltro\n\n$$$$\nPO3H2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3H2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H2PO3\nM END\n> \nPO3H2\n\n> \nH2PO3\n\n$$$$\nC22H45\n Mrv15c7 12111511552D \n\n 22 21 0 0 0 0 999 V2000\n 9.7086 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9980 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 C22H45\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H45C22\nM END\n> \nC22H45\n\n> \nH45C22\n\n$$$$\nPdCl2\n Mrv15c7 12111511552D \n\n 3 0 0 0 0 0 999 V2000\n 0.4125 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n 2.7696 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.0000 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0\nM CHG 3 1 -1 2 -1 3 2\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 PdCl2\nM SDS EXP 1 1\nM END\n> \nPdCl2\n\n$$$$\nADAarabif\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADAarabif\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAarabif\n\n$$$$\nPBr3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PBr3\nM SDS EXP 1 1\nM END\n> \nPBr3\n\n$$$$\nSt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 St-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuS\nM END\n> \nSt-Bu\n\n> \nt-BuS\n\n$$$$\nSMCC\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 5.1309 -2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9716 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1909 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0316 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6296 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8489 -0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2275 -0.9424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4233 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0991 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5427 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3014 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0095 -2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7889 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5696 -1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 3 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 SMCC\nM SAP 1 2 11 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nSMCC\n\n$$$$\nNHi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHi-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmNH\nM END\n> \nNHi-Am\n\n> \ni-AmNH\n\n$$$$\nCO2Bn\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 CO2Bn\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnO2C\nM END\n> \nCO2Bn\n\n> \nBnO2C\n\n$$$$\nTfa\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Tfa\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTfa\n\n$$$$\nOt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ot-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuO\nM END\n> \nOt-Bu\n\n> \nt-BuO\n\n$$$$\nPMBM\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PMBM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPMBM\n\n$$$$\nCO2Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuO2C\nM END\n> \nCO2Bu\n\n> \nBuO2C\n\n$$$$\nOTBS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTBS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TBSO\nM END\n> \nOTBS\n\n> \nTBSO\n\n$$$$\nSneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmS\nM END\n> \nSneo-Am\n\n> \nneo-AmS\n\n$$$$\nTBDPS\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 TBDPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTBDPS\n\n$$$$\nMnO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MnO2\nM SDS EXP 1 1\nM END\n> \nMnO2\n\n$$$$\nNpeoc\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n -2.1434 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 4 14 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Npeoc\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nNpeoc\n\n$$$$\nHPO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 2 3 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HPO4\nM SDS EXP 1 1\nM END\n> \nHPO4\n\n$$$$\nDmb\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 8 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Dmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nDmb\n\n$$$$\nPhenyl\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Phenyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPhenyl\n\n$$$$\n2-4DCZ\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 2 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 2-4DCZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n2-4DCZ\n\n$$$$\nCO2Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmO2C\nM END\n> \nCO2Am\n\n> \nAmO2C\n\n$$$$\nOt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ot-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmO\nM END\n> \nOt-Am\n\n> \nt-AmO\n\n$$$$\nBDFruct\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDFruct\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDFruct\n\n$$$$\ncyclooctyl\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 cyclooctyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclooctyl\n\n$$$$\nNBu4\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n -1.4289 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 5 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM CHG 1 5 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 NBu4\nM SDS EXP 1 1\nM END\n> \nNBu4\n\n$$$$\nC17H35\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 C17H35\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H35C17\nM END\n> \nC17H35\n\n> \nH35C17\n\n$$$$\nHNO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 HNO3\nM SDS EXP 1 1\nM END\n> \nHNO3\n\n$$$$\nNO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NO3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O3N\nM END\n> \nNO3\n\n> \nO3N\n\n$$$$\n4ClZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 4ClZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n4ClZ\n\n$$$$\nHNO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 HNO2\nM SDS EXP 1 1\nM END\n> \nHNO2\n\n$$$$\nNO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.9520 -1.1270 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NO2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O2N\nM END\n> \nNO2\n\n> \nO2N\n\n$$$$\nNitroso\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Nitroso\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNitroso\n\n$$$$\niPr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 iPr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \niPr\n\n$$$$\nBenzoyl\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Benzoyl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBenzoyl\n\n$$$$\nMob\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 3 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Mob\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nMob\n\n$$$$\nSAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmS\nM END\n> \nSAm\n\n> \nAmS\n\n$$$$\nCDI\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n 1.8185 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5330 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5330 -0.6552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2004 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9455 -1.9248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1205 -1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8655 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2475 0.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3337 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1407 1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5532 0.8598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0011 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 4 0 0 0 0\n 4 5 4 0 0 0 0\n 5 6 4 0 0 0 0\n 6 7 4 0 0 0 0\n 3 7 4 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 4 0 0 0 0\n 9 10 4 0 0 0 0\n 10 11 4 0 0 0 0\n 11 12 4 0 0 0 0\n 8 12 4 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 CDI\nM SDS EXP 1 1\nM END\n> \nCDI\n\n$$$$\ncyclopentyl\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 cyclopentyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclopentyl\n\n$$$$\nC15H31\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2842 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7131 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 C15H31\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H31C15\nM END\n> \nC15H31\n\n> \nH31C15\n\n$$$$\nOtBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuO\nM END\n> \nOtBu\n\n> \ntBuO\n\n$$$$\nMoz\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Moz\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMoz\n\n$$$$\nThr\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 6 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Thr\nM SAP 1 3 5 0 Al 6 0 Br 3 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nc-C13H25\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 1.9097 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2423 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0331 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4121 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9665 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1424 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6968 -1.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8727 -1.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4942 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9398 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5613 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0069 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 1 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 c-C13H25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C13H25\n\n$$$$\nThy\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Thy\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nThy\n\n$$$$\nCF3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CF3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 F3C\nM END\n> \nCF3\n\n> \nF3C\n\n$$$$\nNvoc\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 9 14 2 0 0 0 0\n 3 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\nM CHG 2 15 1 16 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Nvoc\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nNvoc\n\n$$$$\nSCN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SCN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NCS\nM END\n> \nSCN\n\n> \nNCS\n\n$$$$\nCONHMe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CONHMe\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeNHCO\nM END\n> \nCONHMe\n\n> \nMeNHCO\n\n$$$$\no-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 o-Tol\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \no-Tol\n\n$$$$\nBrosyl\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Brosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nBrosyl\n\n$$$$\nHBTU\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3112 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -1.3645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.5411 -2.1492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5807 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5807 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0932 1.3680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 5.9002 1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8382 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\nM CHG 4 2 -1 14 1 15 -1 22 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 HBTU\nM SDS EXP 1 1\nM END\n> \nHBTU\n\n$$$$\nOtAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OtAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmO\nM END\n> \nOtAm\n\n> \ntAmO\n\n$$$$\nNHTs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHTs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TsNH\nM END\n> \nNHTs\n\n> \nTsNH\n\n$$$$\nDMIPS\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nDMIPS\n\n$$$$\nBic\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 4.7812 4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0668 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 5 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Bic\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBic\n\n$$$$\nOPMB\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 OPMB\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PMBO\nM END\n> \nOPMB\n\n> \nPMBO\n\n$$$$\nSnBu3\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 5.3329 5.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 3.0789 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 SnBu3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Bu3Sn\nM END\n> \nSnBu3\n\n> \nBu3Sn\n\n$$$$\nTeoc\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Teoc\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTeoc\n\n$$$$\n2OHPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 2OHPh\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n2OHPh\n\n$$$$\nCOOt-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOt-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuOOC\nM END\n> \nCOOt-Bu\n\n> \nt-BuOOC\n\n$$$$\nSBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuS\nM END\n> \nSBu\n\n> \nBuS\n\n$$$$\n2-6DCZ\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 2-6DCZ\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \n2-6DCZ\n\n$$$$\nKNO3\n Mrv15c7 12111511552D \n\n 5 3 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM CHG 4 1 1 2 -1 3 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 KNO3\nM SDS EXP 1 1\nM END\n> \nKNO3\n\n$$$$\nKNO2\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 KNO2\nM SDS EXP 1 1\nM END\n> \nKNO2\n\n$$$$\nDip\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dip\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDip\n\n$$$$\nn-Pr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 n-Pr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Pr\n\n$$$$\nCO2Et\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CO2Et\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtO2C\nM END\n> \nCO2Et\n\n> \nEtO2C\n\n$$$$\nPhOMe\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PhOMe\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeOPh\nM END\n> \nPhOMe\n\n> \nMeOPh\n\n$$$$\ncyclopropyl\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 cyclopropyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclopropyl\n\n$$$$\nSEM\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.6039 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 SEM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nSEM\n\n$$$$\nNHOH\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NHOH\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HONH\nM END\n> \nNHOH\n\n> \nHONH\n\n$$$$\nADEryth\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ADEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADEryth\n\n$$$$\nc-C15H29\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.2742 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9604 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6081 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3222 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6197 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1086 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4140 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9030 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0866 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7812 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9648 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6594 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1704 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8650 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3760 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 1 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 c-C15H29\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C15H29\n\n$$$$\nTBDMS\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TBDMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTBDMS\n\n$$$$\nUMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3819 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 5 14 1 6 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 UMP\nM SDS EXP 1 1\nM END\n> \nUMP\n\n$$$$\nDbpoc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Dbpoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nDbpoc\n\n$$$$\nADAllos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAllos\n\n$$$$\nPO(OEt)2\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PO(OEt)2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (EtO)2OP\nM END\n> \nPO(OEt)2\n\n> \n(EtO)2OP\n\n$$$$\nTmob\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 3 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Tmob\nM SAP 1 1 13 0 1\nM SDS EXP 1 1\nM END\n> \nTmob\n\n$$$$\nONO2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 ONO2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NO2O\nM END\n> \nONO2\n\n> \nNO2O\n\n$$$$\nSPDP\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.5401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8064 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SPDP\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nSPDP\n\n$$$$\nn-C3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 n-C3H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C3H7\n\n$$$$\nEt4N\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Et4N\nM SDS EXP 1 1\nM END\n> \nEt4N\n\n$$$$\nSES\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 SES\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nSES\n\n$$$$\nC21H43\n Mrv15c7 12111511552D \n\n 21 20 0 0 0 0 999 V2000\n 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9980 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 C21H43\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H43C21\nM END\n> \nC21H43\n\n> \nH43C21\n\n$$$$\nCHL\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CHL\nM SDS EXP 1 1\nM END\n> \nCHL\n\n$$$$\nPOI3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POI3\nM SDS EXP 1 1\nM END\n> \nPOI3\n\n$$$$\nNMP\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NMP\nM SDS EXP 1 1\nM END\n> \nNMP\n\n$$$$\nCHO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CHO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 OHC\nM END\n> \nCHO\n\n> \nOHC\n\n$$$$\nDArabi\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DArabi\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDArabi\n\n$$$$\nTmb\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTmb\n\n$$$$\nNHCbz\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHCbz\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CbzNH\nM END\n> \nNHCbz\n\n> \nCbzNH\n\n$$$$\nCOOt-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOt-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmOOC\nM END\n> \nCOOt-Am\n\n> \nt-AmOOC\n\n$$$$\nPPh3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 PPh3\nM SDS EXP 1 1\nM MJS SAT 1 Ph3P\nM END\n> \nPPh3\n\n> \nPh3P\n\n$$$$\nPPh2\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 PPh2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph2P\nM END\n> \nPPh2\n\n> \nPh2P\n\n$$$$\nSEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SEt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtS\nM END\n> \nSEt\n\n> \nEtS\n\n$$$$\nADTalos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADTalos\n\n$$$$\nMthp\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Mthp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMthp\n\n$$$$\nNHPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NHPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhNH\nM END\n> \nNHPh\n\n> \nPhNH\n\n$$$$\nNHPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrNH\nM END\n> \nNHPr\n\n> \nPrNH\n\n$$$$\nOn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 On-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmO\nM END\n> \nOn-Am\n\n> \nn-AmO\n\n$$$$\nAcOH\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 AcOH\nM SDS EXP 1 1\nM END\n> \nAcOH\n\n$$$$\ntHexyl\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 tHexyl\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ntHexyl\n\n$$$$\nC19H39\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n 9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4737 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1881 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6171 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3315 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 C19H39\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H39C19\nM END\n> \nC19H39\n\n> \nH39C19\n\n$$$$\nc-C22H43\n Mrv15c7 12111511552D \n\n 22 22 0 0 0 0 999 V2000\n 3.2151 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6850 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8595 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3897 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7421 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2722 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6246 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1548 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0373 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2151 -2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7453 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5707 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0405 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6882 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1580 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8056 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2755 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3929 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 1 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 c-C22H43\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C22H43\n\n$$$$\nDMPS\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DMPS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDMPS\n\n$$$$\nPOBr3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POBr3\nM SDS EXP 1 1\nM END\n> \nPOBr3\n\n$$$$\nPO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 3 1 -1 3 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 PO4\nM SDS EXP 1 1\nM END\n> \nPO4\n\n$$$$\nPO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 2 1 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O3P\nM END\n> \nPO3\n\n> \nO3P\n\n$$$$\nDMPM\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 DMPM\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMPM\n\n$$$$\nCO2s-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2s-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmO2C\nM END\n> \nCO2s-Am\n\n> \ns-AmO2C\n\n$$$$\nCOF\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COF\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 FCO\nM END\n> \nCOF\n\n> \nFCO\n\n$$$$\ni-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 i-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-C5H11\n\n$$$$\nBeoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Beoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nBeoc\n\n$$$$\nDTBMS\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6039 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DTBMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDTBMS\n\n$$$$\nPNB\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PNB\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nPNB\n\n$$$$\nSiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrS\nM END\n> \nSiPr\n\n> \niPrS\n\n$$$$\nTol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Tol\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTol\n\n$$$$\nBmv\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Bmv\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBmv\n\n$$$$\n2-Abz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 2-Abz\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n2-Abz\n\n$$$$\nSPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhS\nM END\n> \nSPh\n\n> \nPhS\n\n$$$$\nTos\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tos\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTos\n\n$$$$\nSPy\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SPy\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nSPy\n\n$$$$\nMts\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Mts\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nMts\n\n$$$$\nSPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrS\nM END\n> \nSPr\n\n> \nPrS\n\n$$$$\nMtt\n Mrv15c7 12111511552D \n\n 20 22 0 0 0 0 999 V2000\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 9 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 Mtt\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMtt\n\n$$$$\nOn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 On-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuO\nM END\n> \nOn-Bu\n\n> \nn-BuO\n\n$$$$\nMtr\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 3 11 1 0 0 0 0\n 8 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Mtr\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nMtr\n\n$$$$\nBDTalos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDTalos\n\n$$$$\nneoAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neoAm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneoAm\n\n$$$$\nTpt\n Mrv15c7 12111511552D \n\n 20 24 0 0 0 0 999 V2000\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5664 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5664 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2809 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9954 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9954 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2809 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 1 14 1 0 0 0 0\n 12 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 5 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 Tpt\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nTpt\n\n$$$$\nPtBu3\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n -0.6039 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2539 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 PtBu3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPtBu3\n\n$$$$\nP(OMe)2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 P(OMe)2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (MeO)2P\nM END\n> \nP(OMe)2\n\n> \n(MeO)2P\n\n$$$$\nNHMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NHMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeNH\nM END\n> \nNHMe\n\n> \nMeNH\n\n$$$$\nGMP\n Mrv15c7 12111511552D \n\n 24 26 0 0 1 0 999 V2000\n 4.0668 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 2.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0992 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0992 4.0549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.5683 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4820 5.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1495 5.8453 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8169 6.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6646 6.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6344 5.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 4.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.1387 5.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3687 3.6424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1937 3.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 12 9 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 6 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 2 0 0 0 0\n 14 21 1 0 0 0 0\n 21 22 1 1 0 0 0\n 21 23 1 0 0 0 0\n 12 23 1 0 0 0 0\n 23 24 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 GMP\nM SDS EXP 1 1\nM END\n> \nGMP\n\n$$$$\nNHiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrNH\nM END\n> \nNHiPr\n\n> \niPrNH\n\n$$$$\nn-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 n-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Am\n\n$$$$\nCONHEt\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CONHEt\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtNHCO\nM END\n> \nCONHEt\n\n> \nEtNHCO\n\n$$$$\nNHtBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuNH\nM END\n> \nNHtBu\n\n> \ntBuNH\n\n$$$$\nCO2K\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2K\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KO2C\nM END\n> \nCO2K\n\n> \nKO2C\n\n$$$$\nDGluco\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDGluco\n\n$$$$\nOTHP\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 OTHP\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 THPO\nM END\n> \nOTHP\n\n> \nTHPO\n\n$$$$\nCO2Me\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2Me\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeO2C\nM END\n> \nCO2Me\n\n> \nMeO2C\n\n$$$$\nCO2H\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CO2H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO2C\nM END\n> \nCO2H\n\n> \nHO2C\n\n$$$$\nC9H19\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 C9H19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H19C9\nM END\n> \nC9H19\n\n> \nH19C9\n\n$$$$\nc-C5H9\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 c-C5H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C5H9\n\n$$$$\nn-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 n-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Bu\n\n$$$$\nBpoc\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n -0.1105 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Bpoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nBpoc\n\n$$$$\nCMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 6.7661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 5.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 5.5286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 4.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 4.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 4.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 4.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 5.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.4661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.3819 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 2.1965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.6119 1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 0.1080 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2462 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0938 -0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4287 0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 2.1965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.1830 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 2.9812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7376 3.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 9 6 1 6 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 2 0 0 0 0\n 11 18 1 0 0 0 0\n 18 19 1 1 0 0 0\n 18 20 1 0 0 0 0\n 9 20 1 0 0 0 0\n 20 21 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 CMP\nM SDS EXP 1 1\nM END\n> \nCMP\n\n$$$$\nCO2s-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2s-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuO2C\nM END\n> \nCO2s-Bu\n\n> \ns-BuO2C\n\n$$$$\nAcAc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 AcAc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nAcAc\n\n$$$$\nHse\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Hse\nM SAP 1 2 1 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nQxc\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 3 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Qxc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nQxc\n\n$$$$\nNHtAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHtAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmNH\nM END\n> \nNHtAm\n\n> \ntAmNH\n\n$$$$\nC8H17\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 C8H17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H17C8\nM END\n> \nC8H17\n\n> \nH17C8\n\n$$$$\nCOOs-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOs-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmOOC\nM END\n> \nCOOs-Am\n\n> \ns-AmOOC\n\n$$$$\nCS2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CS2\nM SDS EXP 1 1\nM END\n> \nCS2\n\n$$$$\nBr2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Br2\nM SDS EXP 1 1\nM END\n> \nBr2\n\n$$$$\nc-C11H21\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.5424 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2919 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8514 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4477 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6078 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0015 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2138 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0324 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2447 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0633 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6696 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 1 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 c-C11H21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C11H21\n\n$$$$\nC10H21\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 C10H21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H21C10\nM END\n> \nC10H21\n\n> \nH21C10\n\n$$$$\nTrt\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Trt\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTrt\n\n$$$$\nCO2t-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2t-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuO2C\nM END\n> \nCO2t-Bu\n\n> \nt-BuO2C\n\n$$$$\nDEIPS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DEIPS\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nDEIPS\n\n$$$$\nAdoc\n Mrv15c7 12111511552D \n\n 13 15 0 0 0 0 999 V2000\n 0.1373 -3.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1373 -2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -2.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 4 13 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 8 13 1 0 0 0 0\n 10 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 6 11 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Adoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAdoc\n\n$$$$\nTrp\n Mrv15c7 12111511552D \n\n 14 15 0 0 0 0 999 V2000\n -1.7571 0.3107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2054 0.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3964 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6268 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 -1.3661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6429 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6429 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3554 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0679 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0679 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3554 -1.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4625 1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2661 1.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Trp\nM SAP 1 3 1 0 Al 13 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nP(OEt)2\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 P(OEt)2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (EtO)2P\nM END\n> \nP(OEt)2\n\n> \n(EtO)2P\n\n$$$$\nSi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Si-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmS\nM END\n> \nSi-Am\n\n> \ni-AmS\n\n$$$$\nTre\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Tre\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTre\n\n$$$$\nAmoc\n Mrv15c7 12111511552D \n\n 18 20 0 0 0 0 999 V2000\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 5 18 1 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Amoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAmoc\n\n$$$$\nDpp\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dpp\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDpp\n\n$$$$\nHFIP\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HFIP\nM SDS EXP 1 1\nM END\n> \nHFIP\n\n$$$$\nDMTr\n Mrv15c7 12111511552D \n\n 23 25 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 16 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 DMTr\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMTr\n\n$$$$\nOTES\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTES\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TESO\nM END\n> \nOTES\n\n> \nTESO\n\n$$$$\nBDGalac\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGalac\n\n$$$$\nCO2t-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2t-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmO2C\nM END\n> \nCO2t-Am\n\n> \nt-AmO2C\n\n$$$$\nSLi\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SLi\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 LiS\nM END\n> \nSLi\n\n> \nLiS\n\n$$$$\nFmoc\n Mrv15c7 12111511552D \n\n 17 19 0 0 0 0 999 V2000\n 0.5050 -3.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 5 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Fmoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nFmoc\n\n$$$$\nCO2Na\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2Na\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaO2C\nM END\n> \nCO2Na\n\n> \nNaO2C\n\n$$$$\n2-6Clb\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 2-6Clb\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n2-6Clb\n\n$$$$\nCOOs-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOs-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuOOC\nM END\n> \nCOOs-Bu\n\n> \ns-BuOOC\n\n$$$$\nNHEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NHEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtNH\nM END\n> \nNHEt\n\n> \nEtNH\n\n$$$$\nPEG4\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 7.8700 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4430 -0.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7079 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0160 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2809 -0.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5891 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8540 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1621 -0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4270 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7351 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 PEG4\nM SAP 1 2 12 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nPEG4\n\n$$$$\n2-Naph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 2-Naph\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \n2-Naph\n\n$$$$\nMpc\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Mpc\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nMpc\n\n$$$$\nPEG3\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 PEG3\nM SAP 1 2 9 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nPEG3\n\n$$$$\nCO2Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrO2C\nM END\n> \nCO2Pr\n\n> \nPrO2C\n\n$$$$\nc-C8H15\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 c-C8H15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C8H15\n\n$$$$\nPO(OMe)2\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 PO(OMe)2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (MeO)2OP\nM END\n> \nPO(OMe)2\n\n> \n(MeO)2OP\n\n$$$$\nDoc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 2.6664 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Doc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nDoc\n\n$$$$\nm-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 m-Tolyl\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nm-Tolyl\n\n$$$$\nNHTos\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHTos\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TosNH\nM END\n> \nNHTos\n\n> \nTosNH\n\n$$$$\nSMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeS\nM END\n> \nSMe\n\n> \nMeS\n\n$$$$\nDFruct\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DFruct\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDFruct\n\n$$$$\nDns\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dns\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDns\n\n$$$$\nring9\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 1.1333 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9086 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3211 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1778 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5458 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7208 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0888 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0544 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3581 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 ring9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring9\n\n$$$$\nSO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SO2\nM SAP 1 2 2 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nSO2\n\n$$$$\nBoc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Boc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nBoc\n\n$$$$\nring8\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ring8\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring8\n\n$$$$\nH2O\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 H2O\nM SDS EXP 1 1\nM END\n> \nH2O\n\n$$$$\nOrn\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Orn\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nring5\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 ring5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring5\n\n$$$$\nC6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H13C6\nM END\n> \nC6H13\n\n> \nH13C6\n\n$$$$\nring4\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 ring4\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring4\n\n$$$$\nFor\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 For\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFor\n\n$$$$\nring7\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 ring7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring7\n\n$$$$\nSO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 2 1 -1 3 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SO4\nM SDS EXP 1 1\nM END\n> \nSO4\n\n$$$$\nring6\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 ring6\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring6\n\n$$$$\nDnp\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\n 7 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dnp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDnp\n\n$$$$\nring3\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 ring3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring3\n\n$$$$\nCOOsBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOsBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuOOC\nM END\n> \nCOOsBu\n\n> \nsBuOOC\n\n$$$$\nBom\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Bom\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBom\n\n$$$$\nDMSO\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 DMSO\nM SDS EXP 1 1\nM END\n> \nDMSO\n\n$$$$\n3-Fur\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 3-Fur\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \n3-Fur\n\n$$$$\nMsc\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Msc\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMsc\n\n$$$$\nSNa\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SNa\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaS\nM END\n> \nSNa\n\n> \nNaS\n\n$$$$\nTIPDS\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 0.0000 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.5787 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.5787 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 TIPDS\nM SAP 1 2 4 0 1 6 0 2\nM SDS EXP 1 1\nM END\n> \nTIPDS\n\n$$$$\nADGluco\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADGluco\n\n$$$$\nCO2Ph\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 CO2Ph\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhO2C\nM END\n> \nCO2Ph\n\n> \nPhO2C\n\n$$$$\nNaOH\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NaOH\nM SDS EXP 1 1\nM END\n> \nNaOH\n\n$$$$\nP+Ph3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM CHG 1 7 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 P+Ph3\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph3P+\nM END\n> \nP+Ph3\n\n> \nPh3P+\n\n$$$$\nOBoc\n Mrv1722009201714142D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OBoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BocO\nM END\n> \nOBoc\n\n> \nBocO\n\n$$$$\nNBoc\n Mrv1722009201714142D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NBoc\nM SAP 1 2 7 0 1 7 0 2\nM SDS EXP 1 1\nM MJS SAT 1 BocN\nM END\n> \nNBoc\n\n> \nBocN\n\n$$$$\n"] \ No newline at end of file diff --git a/public/marvinjs/gui/clear.cache.gif b/public/marvinjs/gui/clear.cache.gif new file mode 100644 index 0000000000000000000000000000000000000000..e565824aafafe632011b281cba976baf8b3ba89a GIT binary patch literal 43 qcmZ?wbhEHbWMp7uXkcLY4+e@qSs1y10y+#p0Fq%~V)9{Rum%7ZWeN!Z literal 0 HcmV?d00001 diff --git a/public/marvinjs/gui/css/editor.css b/public/marvinjs/gui/css/editor.css new file mode 100644 index 000000000..457615b34 --- /dev/null +++ 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    -

    Structure Checker configuration

    -
    -

    Structure Errors

    -
    -
    -
    -

    Code comments

    -

    This examples requires molchange.js that defines MolChangeHandler class to aggregate molecule change events.

    -

    First of all, CheckersWS checks which services are availables. It provides a Promise to notify when the list of the available -services arrived (or notify if services are unreachables). -

    After that, the following steps will be executed: -

      -
    • With the add function of the Checkers object, selected structure checkers are initialized.
      • -
    • Retrieves the reference for the sketcher that runs in the iframe and runs the onSketchLoaded function.
      • -
    -
    $(document).ready(function handleDocumentReady (e) {
-	var config = [ 
-		{id: "BondLengthChecker", color: "#ffe211", title: "Bond length"},
-		{id: "BondAngleChecker", color: "#ef6671", title: "Bond angle"},
-		{id: "AtomMapChecker", color: "#d26ff1", title: "Atom map"}
-	];
-	CheckersWS.then(function(services) {
-		for(var i = 0; i < config.length; i++) {
-			if($.inArray(config[i].id, services)) {
-				Checkers.add(config[i].id, config[i].color, config[i].title);
-			}
-		}
-		MarvinJSUtil.getEditor("#sketch").then(onSketchLoaded, function () {
-			alert("Cannot retrieve sketcher instance from iframe");
-		});
-	}, function(error) {
-		$('#checkers-panel-result').html('structure checker is not available');
-	});
-});
-});
    -

    The onSketchLoaded function instantiates a MolChangeHandler. Its first parameter is the reference of the editor to listen. -The second one is a callback function that is performed at each mol change event.

    -
    function onSketchLoaded(sketcherInstance) {
-	marvinSketcherInstance = sketcherInstance;
-	// aggregator for molecule change events
-	new MolChangeHandler(sketcherInstance, onMolChange);
-}
    -

    If you take a look at the add function of Checkers, you can see that it creates a CheckerWidget object for each checker.

    -
    	/** Appends a new checker to the document.
-	* @param id - the name of the checker as referred in JChem WS (see JChem WS documentation)
-	* @param color - colorizes the result (atoms/bonds) in the editor with this color
-	* @param title - the short description of the checker that displays in the config panel below.
-	*/
-	function add(id, color, title) {
-		var widget = new CheckerWidget(id, color, title);
-		$("#checkers-panel-config").append(widget.asWidget());
-		widgets.push(widget);
-	}
    -

    Returning to the onMolChange function, you can see that it resets the current highlight on the sketcher, gets the source of the current structure and performs a -structure check on it.

    -
    function reset() {
-	// reset current highlight
-	marvinSketcherInstance.setHighlight({});
-	$('#checkers-panel-result').empty();
-}
-
-var last = null;
-
-function onMolChange(e) {
-	last = e;
-	reset();
-	e.target.exportStructure("mrv").then(function(source) {
-		if(!e.isDeprecated) { // unless a newer molchange event deprecate this event
-			e.source = source;
-			Checkers.check(source);
-		}
-	},alert);
-}
    -

    If you take a closer look at the Checkers.check function, you can see those CheckerWidgets are enabled where the checkboxes were previously checked. It creates the input for the Structure Checker web service. -Finally, it calls the send method with the created object.

    -
    	/**
-	* Performs the structure checking on the given molecule source.
-	* @param source - the molecule source in MRV format.
-	*/
-	function check(source) {
-		var json = {};
-		json.structure = source;
-		json.parameters = {};
-		json.parameters.checkers = [];
-		for(var i = 0; i < widgets.length; i++) {
-			var widget = widgets[i];
-			if(widget.isEnabled()) {
-				json.parameters.checkers.push({"checkerId": widget.getId() });
-			}
-		}
-		if(json.parameters.checkers.length == 0) {
-			return;
-		}
-		send(json);
-	}
    -

    The send invokes the web service, then call onSuccess function when the response of web service is received or onFail if any error occured.

    -
    	/* Sends an async request to Structure checker web service. */
-	function send(json) {
-		var wsBase = getDefaultServicesPrefix();
-		// arrange the input for the Structure Checker web service
-		$.ajax({
-			"url": wsBase + "/rest-v0/util/calculate/structureChecker"
-			,"type": "POST"
-			,"dataType": "json"
-			,"contentType": "application/json"
-			,"data": JSON.stringify(json)
-		}).done(function (data, textStatus, jqXHR) {
-			onSuccess(data);
-		}).fail(onFail);
-	}
    -

    The onSuccess function gets the response of the web service as a parameter (data). Its header field contains the id of the performed checkers. -Each checker result can be referred with its own id. E.g. data.bondlength describes the result of bondlength checker. -A checker result can contain many fields but only the following one are relevant in this case: -

      -
    • checkerName: the title of the checker
      • -
    • description: the error message
      • -
    • errors: a complex object that also describes which atoms and bonds are affected.
      • -
    -The checkerName and the decription is displayed on the current page in the checkers-panel-result div. -Meanwhile the affected atoms and bonds are highlighted in the sketcher. -
    /* Callback to process web service result. */
-	function onSuccess(data) {
-		var highlights = [];
-		if(typeof data.headers == 'object') {
-			for(checkerId in data.headers) {
-				if(data.headers.hasOwnProperty(checkerId) && isCheckerResult(data[checkerId])) {
-					var widget = getWidget(checkerId);
-					if(widget) {
-						// display error message
-						var message = "("+data[checkerId].checkerName+"): "+data[checkerId].description;
-						$('#checkers-panel-result').append(widget.createErrorWidget(message));
-						// calculate context to highlight
-						if(typeof data[checkerId].errors == 'object') {
-							var indexes = {};
-							indexes.atoms = getAtoms(data[checkerId].errors.atoms);
-							indexes.bonds = getBonds(data[checkerId].errors.bonds);
-							if(indexes.atoms.length || indexes.bonds.length) { // add highlight unless context is empty
-								highlights.push({
-									'style': {
-										'color': widget.getColor(),
-										'opacity': 0.25
-									},
-									'indexes': indexes
-								});
-							}
-						}
-					}
-				}
-			}	
-		}
-		// highlight atoms and bonds
-		marvinSketcherInstance.setHighlight(highlights);
-	}
    -

    Changing of the configuration (check/uncheck checkbox or modify checker color) also triggers the checking of the structure -(whose source was already stored in the source property of the last molchange event). -

    function onConfigChange(e) {
-	// reevaluate last consumed molchange event when congfiguration is changed
-	if(last && !last.isDeprecated && (typeof last.source == 'string')) {
-		reset();
-		Checkers.check(last.source);
-	}
-}

    -
    - - - diff --git a/public/marvinjs/examples/checker/molchange.js b/public/marvinjs/examples/checker/molchange.js deleted file mode 100644 index d7994ea48..000000000 --- a/public/marvinjs/examples/checker/molchange.js +++ /dev/null @@ -1,61 +0,0 @@ - -/* Notify about molchange events and provides the mol source of the new structure. */ -var MolChangeHandler = (function() { - - function createEvent(sketcher) { - return { - date: new Date(), - target: sketcher, - isDeprecated: false - } - } - - // purge event queue (deactivate events that found there) - function reset(eventQueue) { - for(var i = 0; i < eventQueue.length; i++) { - eventQueue[i].isDeprecated = true; - } - eventQueue = []; - } - - var DELAY = 1000; - - /* - * Constructor of MolChangeHandler. - * @param bind to this Marvin JS editor instance - * @param triggered function at molchange event. - * */ - function MolChangeHandler(sketcher, onSuccess) { - this.sketcher = sketcher; - this.onSuccess = onSuccess; - this.pending = false; - this.eventQueue = []; - var that = this; - this.sketcher.on('molchange', function() { - onMolChange(that); - }); - } - - // wait to aggregate molchange events - function onMolChange(that) { - if(!that.pending) { - that.pending = true; - setTimeout(function() { - that.pending = false; - fireEvent(that); - }, DELAY); - } - } - - // trigger a new event - function fireEvent(that){ - var e = createEvent(that.sketcher); - reset(that.eventQueue); - that.eventQueue.push(e); - var callback = that.onSuccess; - callback(e); - } - - return MolChangeHandler; -}()); - diff --git a/public/marvinjs/examples/demo.html b/public/marvinjs/examples/demo.html deleted file mode 100644 index 7b0cf635e..000000000 --- a/public/marvinjs/examples/demo.html +++ /dev/null @@ -1,427 +0,0 @@ - - - - - Marvin JS Examples - Demo - - - - - - - - - -

    Marvin JS Examples - Demo

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    -
    - -

    In this example, you can import a molecule from MDL molfile or MRV format into the editor with the help of the Import and Paste buttons. While the Import button overwrites the canvas content, submitting of the Paste button preserves the current structure and appends the new one.

    - -

    With the Molfile Export and MRV Export buttons, you can retrieve canvas content in the desired format.

    - -

    In this example, you can also control display settings of the editor with the proper checkboxes.

    - -

    You can find the commented code below:

    -

    The InputControllerClass is responsible for the input form that involves the Import, Paste, Reset, Mol Export, MRV Export buttons, the format selector combo box and the text area for molecule source. - It manages the click events of the buttons and provides functions to get/set text from/to the text box.

    - - 
    -		
-		var InputControllerClass = (function () {
-
-			var delay = 5;
-
-			function InputControllerClass (importButton, pasteButton, formatDropdown, resetButton,	molExportButton, mrvExportButton, srcTextBox) {
-
-				this.importButton		= importButton;
-				this.pasteButton		= pasteButton;
-				this.formatDropdown		= formatDropdown;
-				this.resetButton		= resetButton;
-				this.molExportButton	= molExportButton;
-				this.mrvExportButton 	= mrvExportButton;
-				this.srcTextBox 		= srcTextBox;
-				this.init();
-			}
-
-			InputControllerClass.prototype.init = function init () {
-				this.importButton.on("click", $.proxy(this.handleImportBtnClick, this));
-				this.pasteButton.on("click", $.proxy(this.handlePasteBtnClick, this));
-				this.resetButton.on("click", $.proxy(this.clearTxt, this));
-				this.molExportButton.on("click", $.proxy(this.handleMolExportBtnClick, this));
-				this.mrvExportButton.on("click", $.proxy(this.handleMrvExportBtnClick, this));
-			};
-
-			InputControllerClass.prototype.handleImportBtnClick = function handleImportBtnClick (e) {
-				this.delayCall(importMolAction, [this.getTxt(), this.getFormat()]);
-			};
-
-			InputControllerClass.prototype.handlePasteBtnClick = function handleImportBtnClick (e) {
-				this.delayCall(pasteMolAction, [this.getTxt(), this.getFormat()]);
-			};
-
-			InputControllerClass.prototype.handleMolExportBtnClick = function handleMolExportBtnClick (e) {
-				this.delayCall(exportMolAction, ["mol"]);
-			};
-
-			InputControllerClass.prototype.handleMrvExportBtnClick = function handleMolExportBtnClick (e) {
-				this.delayCall(exportMolAction, ["mrv"]);
-			};
-
-			InputControllerClass.prototype.delayCall = function delayCall (method, args) {
-				setTimeout(function () {
-					method.apply(null, args);
-				}, delay);
-			};
-
-			InputControllerClass.prototype.getTxt = function getTxt () {
-				return this.srcTextBox.val();
-			};
-
-			InputControllerClass.prototype.setTxt = function setTxt (txt) {
-				this.srcTextBox.val(txt);
-			};
-
-			InputControllerClass.prototype.clearTxt = function clearTxt () {
-				this.setTxt("");
-			};
-
-			InputControllerClass.prototype.getFormat = function getFormat (e) {
-				return this.formatDropdown.val();
-			};
-
-			return InputControllerClass;
-
-		}());
    - -

    The MarvinControllerClass is responsible for updating display settings if the state of the CPK coloring or Carbon label visibility checkboxes are modified on the current page. -

    The MarvinControllerClass also provides a reference to the sketcher instance. It is necessary to be able to call the molecule import / export function of the sketcher.

    - 
    
-		var MarvinControllerClass = (function () {
-
-			function MarvinControllerClass ( sketcherInstance, cpkCheckbox, mapCheckbox, carbonCheckbox) {
-				this.sketcherInstance 	= sketcherInstance;
-				this.cpkCheckbox 		= cpkCheckbox;
-				this.mapCheckbox 		= mapCheckbox;
-				this.carbonCheckbox 	= carbonCheckbox;
-				this.init();
-			}
-
-			MarvinControllerClass.prototype.init = function init () {
-				this.carbonCheckbox.on("change", $.proxy(this.handleCarbonCheckBoxChange, this));
-				this.mapCheckbox.on("change", $.proxy(this.handleMapCheckBoxChange, this));
-				this.cpkCheckbox.on("change", $.proxy(this.handleCpkCheckBoxChange, this));
-			};
-
-			MarvinControllerClass.prototype.handleCarbonCheckBoxChange = function handleCarbonCheckBoxChange (e) {
-				this.sketcherInstance.setDisplaySettings({
-					"carbonLabelVisible" : this.carbonCheckbox.is(':checked')
-				});
-			};
-			
-			MarvinControllerClass.prototype.handleMapCheckBoxChange = function handleMapCheckBoxChange (e) {
-				this.sketcherInstance.setDisplaySettings({
-					"atomMapsVisible" : this.mapCheckbox.is(':checked')
-				});
-			};
-
-			MarvinControllerClass.prototype.handleCpkCheckBoxChange = function handleCpkCheckBoxChange (e) {
-				this.sketcherInstance.setDisplaySettings({
-					"cpkColoring" : this.cpkCheckbox.is(':checked')
-				});
-			};
-
-			return MarvinControllerClass;
-
-		}());
    -

    Both InputControllerClass and MarvinControllerClass are instantiated when the page is loaded and the sketcher is loaded: getMarvinSketchIntstance("#sketch").done(...). - The initial value of the text box is set after page loading is finised.

    - 
    
-		$(document).ready(function handleDocumentReady (e) {
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-
-				marvinController = new MarvinControllerClass(
-					sketcherInstance,
-					$("#chbx-coloring"),
-					$("#chbx-map"),
-					$("#chbx-carbonVis")
-				);
-
-				inputController = new InputControllerClass(
-					$("#btn-setMdlmolfile"),
-					$("#btn-paste"),
-					$("#list-inputformat"),
-					$("#btn-clearTxt"),
-					$("#btn-molExport"),
-					$("#btn-mrvExport"),
-					$("#molsource-box")
-				);
-
-			}, function () {
-				alert("Cannot retrieve sketcher instance from iframe");
-			});
-
-			$("#molsource-box").val(caffeineSource);
-		});
-
    -

    InputControllerClass calls one of these functions with some delay when Import, Export as Mol or Export As Mrv button is pressed.

    - 
    		
-		function pasteMolAction (txt, format) {
-			var pastePromise = marvinController.sketcherInstance.pasteStructure(format, txt);
-			pastePromise.then(function() {}, function(error) {
-				alert(error);
-			});
-		}
-
-		function importMolAction (txt, format) {
-			var importPromise = marvinController.sketcherInstance.importStructure(format, txt);
-			importPromise.then(function() {}, function(error) {
-				alert(error);
-			});
-		}
-
-		function exportMolAction (format) {
-			var ic = inputController;
-			
-			var exportPromise = marvinController.sketcherInstance.exportStructure(format, null);
-			exportPromise.then(function(source) {
-				ic.setTxt(source);
-			}, function(error) {
-				ic.setTxt(error);
-			});
-		}
    - - - - diff --git a/public/marvinjs/examples/eflow/alternative-eflow.html b/public/marvinjs/examples/eflow/alternative-eflow.html deleted file mode 100644 index 275493e07..000000000 --- a/public/marvinjs/examples/eflow/alternative-eflow.html +++ /dev/null @@ -1,34 +0,0 @@ - - - - - Marvin JS Example - Alternative electron flow arrow - - - - - - - -
    - -
    - - diff --git a/public/marvinjs/examples/example-abbrevs.html b/public/marvinjs/examples/example-abbrevs.html deleted file mode 100644 index 8db841c13..000000000 --- a/public/marvinjs/examples/example-abbrevs.html +++ /dev/null @@ -1,124 +0,0 @@ - - - - - Marvin JS Example - Load Custom Abbreviation list - - - - - - - - -

    Marvin JS Example - Load Custom Abbreviation list

    - - In this example, custom abbreviation list is loaded, which contains Ac group abbreviation and a custom abbreviated group, named Custom AA. - Just specify the URL of the custom abbreviation list in the data-abbrevsurl attribute of the iframe that contains the editor.

    - Each group in the abbreviation list is described in MDL molfile V2000 or MRV format. - Each group is a titled compound both in molfile and in MRV format the molecule name has to be specified. The molecule name is parsed - as the label of the menu item in the Abbreviation dialog. - Each compound describes an expanded abbreviated (superatom) S-group. - The abbreviation list can be accepted in the following flavors: - - SD file - MRV file - JSON - -
      -

    • SD file

      - Groups in MDL molfile V2000 format are concatenated into an SDfile ($$$$ is the separator among items). - - 
      <div class="resizable">
-	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" 
-	data-abbrevsurl="examples/abbreviations/myabbreviations.sdf"></iframe>
-</div>
-
      -
      • -

    • MRV file

      - More MRV sources are merged into a multi-compound MRV file (more MDocument tags are enclosed into the root cml tag). - 
      <div class="resizable">
-	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" 
-	data-abbrevsurl="examples/abbreviations/myabbreviations.mrv"></iframe>
-</div>
-
      -
      • -

    • JSON

      - By using the JavaScript Object Notation (JSON), you can also pass abbreviations to the editor. - You need a JavaScript object with a templates property whose value is an array. Each array item is a JavaScript object that describes an abbreviated group. - The mandatory property of each JavaScript object is the structure property that specifies the molecule source of the abbreviated group. - It can be in MRV of MolV2000 format. - The JavaScript object can contain a name field optionally. This field determines the label of the item in the Abbreviated groups dialog. - If this field is not specified, the name of the molecule (specified in the molecule source) will be displayed in the list in the dialog. - 
      
-		{
-			"templates": [
-				{ "structure": <mol source> },
-				{ "structure": <mol source>, "name": <title> }
-			]
-		}
-
      - where <mol source> is the JavaScript escaped molecule source in MRV or MolV2000 format. <title> is the label of the menu item in the dialog. - 
      <div class="resizable">
-	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" 
-	data-abbrevsurl="examples/abbreviations/demoabbrev.json"></iframe>
-</div>
-
      -

      You can generate your own templates file via the following form: Create abbreviation

      -
      • -
    -
    -
    - -
    -

    Resource file

    - -
    -
    - - - - diff --git a/public/marvinjs/examples/example-addbutton.html b/public/marvinjs/examples/example-addbutton.html deleted file mode 100644 index 5b5321791..000000000 --- a/public/marvinjs/examples/example-addbutton.html +++ /dev/null @@ -1,71 +0,0 @@ - - - - - - Marvin JS Example - Add custom button to the toolbar - - - - - - - - - -

    Marvin JS Example - Add custom button to the toolbar

    - -
    -
    - -
    -
    -
    -

    Append a custom button to the toolbar at startup (the icon URL is relative to the editor.html document):

    - 
    
-	var marvinSketcherInstance;
-	var buttonAttributes;
-		
-	$(document).ready(function handleDocumentReady (e) {
-
-	
-	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-		marvinSketcherInstance = sketcherInstance;
-		buttonAttributes = {
-			"name" : "custom",
-			"image-url" : "examples/images/custom-icon.png",
-			"toolbar" : "W"
-		};
-		marvinSketcherInstance.addButton(buttonAttributes, function() {
-			alert('The custom button has been pushed.');
-		});
-	}, function () {
-		alert("Cannot retrieve sketcher instance from iframe");
-	});
-});
-
    -
    - - - diff --git a/public/marvinjs/examples/example-addtemplate.html b/public/marvinjs/examples/example-addtemplate.html deleted file mode 100644 index 26acb2f32..000000000 --- a/public/marvinjs/examples/example-addtemplate.html +++ /dev/null @@ -1,58 +0,0 @@ - - - - - - Marvin JS Example - Add custom template button to the toolbar - - - - - - - - - -

    Marvin JS Example - Add custom template button to the toolbar

    - -
    -
    - -
    -
    -
    -

    Append a custom template button to the toolbar at startup:

    - 
    $(document).ready(function handleDocumentReady (e) {
-	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-		var templateAttributes = {
-						'structure':"<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<cml xmlns=\"http://www.chemaxon.com\" xmlns:xsi=\"http://www.w3.org/2001/XMLSchema-instance\" xsi:schemaLocation=\"http://www.chemaxon.com/marvin/help/formats/schema/mrvSchema_6_1_0.xsd\" version=\"ChemAxon file format v6.1, generated by v6.1.0\">\n<MDocument>\n  <MChemicalStruct>\n    <molecule molID=\"m1\">\n      <atomArray atomID=\"a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12\" elementType=\"C C N C C C O C C O C O\" x2=\"3.189999994039537 1.6499999940395358 0.8799999940395326 -0.6600000059604675 -1.4300000059604656 -2.970000005960466 -3.7400000059604674 -0.6600000059604636 -1.4300000059604623 -0.6600000059604607 0.8799999940395365 1.6499999940395358\" y2=\"-0.831839567470531 -0.8318395674705295 -2.165518689298567 -2.1655186892985645 -0.8318395674705278 -0.8318395674705257 -2.16551868929856 0.5018395543575072 1.8355186761855429 3.1691977980135775 0.501839554357506 1.8355186761855407\"/>\n      <bondArray>\n        <bond id=\"b1\" atomRefs2=\"a1 a2\" order=\"1\"/>\n        <bond id=\"b2\" atomRefs2=\"a2 a3\" order=\"2\"/>\n        <bond id=\"b3\" atomRefs2=\"a2 a11\" order=\"1\"/>\n        <bond id=\"b4\" atomRefs2=\"a3 a4\" order=\"1\"/>\n        <bond id=\"b5\" atomRefs2=\"a4 a5\" order=\"2\"/>\n        <bond id=\"b6\" atomRefs2=\"a5 a6\" order=\"1\"/>\n        <bond id=\"b7\" atomRefs2=\"a5 a8\" order=\"1\"/>\n        <bond id=\"b8\" atomRefs2=\"a6 a7\" order=\"1\"/>\n        <bond id=\"b9\" atomRefs2=\"a8 a9\" order=\"1\"/>\n        <bond id=\"b10\" atomRefs2=\"a8 a11\" order=\"2\"/>\n        <bond id=\"b11\" atomRefs2=\"a9 a10\" order=\"1\"/>\n        <bond id=\"b12\" atomRefs2=\"a11 a12\" order=\"1\"/>\n      </bondArray>\n    </molecule>\n  </MChemicalStruct>\n</MDocument>\n</cml>",
-						'name':"Vitamin B6",
-						'icon':"data:image/png;base64,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"
-				};
-		sketcherInstance.addTemplate(templateAttributes);
-	}, function () {
-		alert("Cannot retrieve sketcher instance from iframe");
-	});
-});
-
    -
    - - - diff --git a/public/marvinjs/examples/example-copyasmrv.html b/public/marvinjs/examples/example-copyasmrv.html deleted file mode 100644 index 55b31d8ed..000000000 --- a/public/marvinjs/examples/example-copyasmrv.html +++ /dev/null @@ -1,95 +0,0 @@ - - - - - Marvin JS Example - Copy As MRV - - - - - - - - - -

    Marvin JS Example - Copy As MRV

    - -
    - -
    -
      -
    • - MRV as copy format - -
      • -
      • -
    -
    -

    This example demonstrates how to control what is placed to the clipboard at copy. - When MRV as copy format checkbox is checked, the structure is placed as MRV to the clipboard at copy. - When the checkbox is unchecked, the default copy format is MDL molfile. - To see the difference, draw something into the editor, select it and press CTR+C shortcut to copy the structure to the clipboard. - After that, click into the textbox and press CTRL+V to paste the clipboard content into the editor. - The format of the pasted content (MRV or MDL molfile) depend on the state of the above checkbox.

    -

    If you would like to clear the textbox content, press apply the Reset textbox button. - -

    At startup, the copyasmrv parameter of Marvin JS editor is setup.

    - 
    <iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-toolbars="reporting" data-copyasmrv=true></iframe>
    -

    First of all, you need a reference for the editor. MarvinJSUtil.getEditor(String) provides a Promise object for you to get it - when the editor is ready.

    -

    After the editor is loaded, run the initcontrol() function to bind actions to the MRV as copy format checkbox and to - the Reset textbox button.

    - 
    		var marvinSketcherInstance;
-
-		$(document).ready(function handleDocumentReady (e) {
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				initControl();
-			},function (error) {
-				alert("Cannot retrieve sketcher instance from iframe:"+error);
-			});
-		});
    -

    Changing of the checkbox value, trigger update settings of the editor. - In the change event handler, the target of the change event is the checkbox. If the checkbox is checked, setup copyasmrv property to true else false. - You can update settings of the editor with its setDisplaySettings(settings) function. At update, specify also the toolbars property - to preserve current toolbar layout.

    - 
    		function initControl () {
-			$("#chbx-copyasmrv").on("change", function (e) {
-				var settings = {}
-				settings.copyasmrv = e.target.checked;
-				settings.toolbars = "reporting";
-				marvinSketcherInstance.setDisplaySettings(settings);
-			});
-			$("#btn-reset").on("click", function (e) {
-				$("#txt").val("");
-			});
-		}
    -
    - - - diff --git a/public/marvinjs/examples/example-couple-editors.html b/public/marvinjs/examples/example-couple-editors.html deleted file mode 100644 index df1d88cb6..000000000 --- a/public/marvinjs/examples/example-couple-editors.html +++ /dev/null @@ -1,232 +0,0 @@ - - - - - Marvin JS Example - Couple of Editors - - - - - - - - - -

    Marvin JS Example - Couple of Editors

    - -

    This example demonstrates that you can embed several editors into the same page without any conflict.

    - - -
    -
      -
      • -
      • -
      • -
    -
    - -
    -
    - -
    -
      -
      • -
      • -
      • -
    -
    - -
    -
    -
    - Identify each IFRAME to be able to distinguish the sketcher instances. - 
    -		<iframe src="../editor.html" id="box1_sketch" class="sketcher-frame"></iframe>
-
    - 
    -		<iframe src="../editor.html" id="box2_sketch" class="sketcher-frame"></iframe>
-
    - Create SketchControlClass for each sketcher object. Bind controller to the sketcher when it is ready. The controller also manages checkboxes for display settings. - 
    -		
-		var sk1Controller,
-			sk2Controller;
-
-		$(document).ready(function handleDocumentReady (e) {
-
-			MarvinJSUtil.getEditor("#box1_sketch").then(function (sketcherInstance) {
-				sk1Controller = new SketcherControllerClass(
-					sketcherInstance,
-					$("#box1_chbx-carbonVis"),
-					$("#box1_chbx-coloring"),
-					$("#box1_btn-setmol")
-				);
-			}, function () {
-				alert("Failed to retrieve sketcher in box 1");
-			});;
-
-			MarvinJSUtil.getEditor("#box2_sketch").then(function (sketcherInstance) {
-				sk2Controller = new SketcherControllerClass(
-					sketcherInstance,
-					$("#box2_chbx-carbonVis"),
-					$("#box2_chbx-coloring"),
-					$("#box2_btn-setmol")
-				);
-			}, function () {
-				alert("Failed to retrieve sketcher in box 2");
-			});
-
-		});
-
-		var SketcherControllerClass = (function () {
-
-			function SketcherControllerClass (sketcherInstance, carbonCheckbox, cpkCheckbox, importButton) {
-				this.sketcherInstance 	= sketcherInstance;
-				this.carbonCheckbox 	= carbonCheckbox;
-				this.cpkCheckbox 		= cpkCheckbox;
-				this.importButton 		= importButton;
-
-				this.init();
-			}
-
-			SketcherControllerClass.prototype.init = function init () {
-				this.carbonCheckbox.on("change", $.proxy(this.handleCarbonCheckBoxChange, this));
-				this.cpkCheckbox.on("change", $.proxy(this.handleCpkCheckBoxChange, this));
-				this.importButton.on("click", $.proxy(this.handleImportButtonClick, this));
-			};
-
-			SketcherControllerClass.prototype.handleCarbonCheckBoxChange = function handleCarbonCheckBoxChange (e) {
-				this.updateDisplaySettings("carbonLabelVisible", this.carbonCheckbox.is(':checked'));
-			};
-
-			SketcherControllerClass.prototype.handleCpkCheckBoxChange = function handleCpkCheckBoxChange (e) {
-				this.updateDisplaySettings("cpkColoring", this.cpkCheckbox.is(':checked'));
-			};
-
-			SketcherControllerClass.prototype.handleImportButtonClick = function handleImportButtonClick (e) {
-				this.sketcherInstance.importStructure("mol", caffeineStr);
-			};
-
-			SketcherControllerClass.prototype.updateDisplaySettings = function updateDisplaySettings (key, value) {
-				var settings = this.sketcherInstance.getDisplaySettings();
-				settings[key] = value;
-				this.sketcherInstance.setDisplaySettings(settings);
-			};
-
-			return SketcherControllerClass;
-
-		}());		
-		
-
    -
    - - - diff --git a/public/marvinjs/examples/example-create-abbreviation.html b/public/marvinjs/examples/example-create-abbreviation.html deleted file mode 100644 index a904c0d35..000000000 --- a/public/marvinjs/examples/example-create-abbreviation.html +++ /dev/null @@ -1,106 +0,0 @@ - - - - - Create Abbreviation list for Marvin JS - - - - - - - - -

    Create Abbreviation list for Marvin JS

    - -

    You can generate abbreviation group list for Marvin JS with the help of the following form. Just fill the form and push the Add button. -

    By repeating these steps, you can append further and further abbreviation group to the templates object.

    -

    Finally, you can copy the textual result (from the textbox) in a file that you can refer later in Marvin JS.

    - - -

    Input

    -

    In the Structure field, an MRV source is expected that contains only one compound, an abbreviated S-group.

    -

    The Name field specifies the label of the menu item in the Abbreviated group dialog. If you do not specify it, its value will be the name of the abbreviation (specified in the MRV file).

    -
    -
    • -
    • -
    • -
    • -
  • - - - -
    • -
    -

    Result

    -
    -
    • -
    - - - - - \ No newline at end of file diff --git a/public/marvinjs/examples/example-create-image.html b/public/marvinjs/examples/example-create-image.html deleted file mode 100644 index 977983528..000000000 --- a/public/marvinjs/examples/example-create-image.html +++ /dev/null @@ -1,307 +0,0 @@ - - - - - Marvin JS Examples - Convert Structure To Image - - - - - - - - - - - -

    Marvin JS Examples - Convert Structure To Image

    - -

    In this example, you can create PNG, JPEG or SVG picture from the given molecule source.

    - -
    -
  • Carbon labels
    • -
  • CPK coloring
    • -
  • Show Stereo Info
    • -
  • Show chiral flag
    • -
  • Show atom maps
    • -
  • Show Lone Pairs - -
    • -
  • Atom Indeces
    • -
  • Implicit Hydrogens - -
    • -
  • Display Mode - -
    • -
  • Zoom Mode - -
    • -
  • Width:
    • -
  • Height:
    • -
  • Background Color:
    • -
    - - - -
    -
    -
    -
    - AUTO - mol - mrv - smiles - smarts -
    - -
    - -
    -

    Create a DIV element where the generated images will be embedded. It is hidden till the image is inserted. - 

    <div id="imageContainer" class="left10" style="display: none;">
-  <img id="image" class="bordered" />
-</div>

    -

    The following dependencies are used in this example: -

      -
    • jquery-1.9.1.min.js - The example is written in JQuery but the ImageExporter API does not require it.
      • -
    • promise-1.0.0.min.js - Promise overlay (required if the current browser does not provide a Promise implementation).
      • -
    • marvinjslauncher.js - The MarvinJSUtil is a helper API to get the marvin object from the iframe.
      • -
    • webservices.js - Defines the getDefaultServices function that provides the settings of the expected services.
      • -

    - 
    	<script src="../js/lib/jquery-1.9.1.min.js"></script>
-	<script src="../gui/lib/promise-1.0.0.min.js"></script>
-	<script src="../js/marvinjslauncher.js"></script>	
-	<script src="../js/webservices.js"></script>
    -

    You need the marvin.ImageExporter class to convert structure to image. Loads this API into a separate iframe to avoid potential css conflicts.

    - Use the marvinpack.html that loads the marvin namespace. - - 
    		$(document).ready(function handleDocumentReady (e) {
-			// load marvin namespace in a separate frame to avoid css conflict
-			// the display attribute of this iframe cannot be "none", but you can hide it somewhere
-			$('body').append($('<iframe>', { id: "marvinjs-iframe", src: "../marvinpack.html"}));
-			// wait for the reference of marvin namespace from the iframe
-			MarvinJSUtil.getPackage("#marvinjs-iframe").then(function(marvinNameSpace) {
-				// the reference to the namespace is arrived but there is no guaranty that its initalization has been finished
-				// because of it, wait till the ready state to be sure the whole API is available
-				marvinNameSpace.onReady(function() {
-					marvin = marvinNameSpace;
-					initControl();
-				});	
-			}, function(error) {
-				alert("Cannot retrieve marvin instance from iframe:"+error);
-			});
-		});
-

    -

    To hide the iframe, the following CSS settings are used:

    - 
    	iframe#marvinjs-iframe {
-		width: 0;
-		height: 0;
-		display: initial;
-		position: absolute;
-		left: -1000;
-		top: -1000;
-		margin: 0;
-		padding: 0;
-	}
    -

    The initcontrol function bind click handler for the buttons.

    - 
    		function initControl() {
-			$("#molsource-box").val(source);
-			$("#createPNG").on("click", function() {
-				createImage("image/png", applyDataUri);
-			});
-			$("#createJPEG").on("click", function() {
-				createImage("image/jpeg", applyDataUri);
-			});
-			$("#createSVG").on("click", function() {
-				createImage("image/svg", applySvg);
-			});
-		}
    -

    The createImage function creates a new instance of ImageExporter class and call its render function to convert the given string to image. - It is an asynchrone exporter, the render function returns with a Promise instance. The given callback function processes the result of the image export. It is automatically evaluated when the export process is completed.

    - 
    		function createImage(imageType, callback) {
-			var exporter = createExporter(imageType);
-			exporter.render($("#molsource-box").val()).then(callback, alert);
-		}
    -

    The createExporter function retrieves the current settings to create a new ImageExporter object with these settings.

    - 
    		function createExporter(imageType) {
-			var settings = {
-				'carbonLabelVisible' : $("#chbx-carbonVis").is(':checked'),
-				'cpkColoring' : $("#chbx-coloring").is(':checked'),
-				'chiralFlagVisible': $("#chbx-chiral").is(':checked'),
-				'atomMapsVisible': $("#chbx-atommaps").is(':checked'),
-				'lonePairsVisible' : $("#lonepairs").val() != '0',
-				'lonepaircalculationenabled' : $("#lonepairs").val() == '2',
-				'atomIndicesVisible': $("#chbx-atomIndeces").is(':checked'),
-				'implicitHydrogen' : $("#implicittype").val(),
-				'displayMode' : $("#displayMode").val(),
-				'background-color': $('#bg').val(),
-				'zoomMode' : $("#zoommode").val(),
-				'width' : parseInt($("#w").val(), 10),
-				'height' : parseInt($("#h").val(), 10)
-			};
-
-			var inputFormat = $("input[type='radio'][name='inputFormat']:checked").val();
-			if(inputFormat == "") {
-				inputFormat = null;
-			}
-			var defaultServices = getDefaultServices();
-			var services = {};
-			services['molconvertws'] = defaultServices['molconvertws'];
-			if($('#chbx-calcStereo').is(":checked")) {
-				services['stereoinfows'] = defaultServices['stereoinfows']; // enable stereo calculation
-			}
-			var params = {
-					'imageType': imageType, // type of output image
-					'settings': settings, // display settings
-					'inputFormat': inputFormat, // renderer will expect molecule source in this format
-					'services': services // to resolve any molecule format and be able to calculate stereo info
-			}
-			return new marvin.ImageExporter(params);
-		}
    -

    At PNG and JPEG image generation, ImageExporter generates a base64 based data URI. To display it, create a new img tag and set the result string to its src attribute.

    - 
    		function applyDataUri(dataUri) {
-			$('#imageContainer').empty();
-			var img = $('', { src: dataUri}).appendTo($("#imageContainer"));
-			$("#imageContainer").css("display", "inline-block");
-		}
    -

    At SVG export, ImageExporter generates a serialized SVG tag that includes a scalable vector graphics. To display it, insert the result as raw data into an empty DOM element.

    - 
    		function applySvg(svg) {
-			$("#imageContainer").html(svg);
-			$("#imageContainer").css("display", "inline-block");
-		}
    -
    - - - diff --git a/public/marvinjs/examples/example-create-template.html b/public/marvinjs/examples/example-create-template.html deleted file mode 100644 index 145e6a067..000000000 --- a/public/marvinjs/examples/example-create-template.html +++ /dev/null @@ -1,159 +0,0 @@ - - - - - Create Templates for Marvin JS - - - - - - - - -

    Create Templates for Marvin JS

    - -

    You can generate templates for Marvin JS with the help of the following form. Just fill the form and push the Add button. - The template source appears in the Result text box, and the generated (24x24 )icon displays above it.

    -

    By repeating these steps, you can append further and further template to the templates object.

    -

    Finally, you can copy the textual result (from the textbox) in a file that you can refer later in Marvin JS.

    - - -

    Input

    -
    -
    • -
    • -
    • -
    • -
    • -
    • -
    • -
    • -
  • - - - -
    • -
    -

    Result

    -
    -
    • -
    • -
    - - - - - \ No newline at end of file diff --git a/public/marvinjs/examples/example-customize-service.html b/public/marvinjs/examples/example-customize-service.html deleted file mode 100644 index c6f568a56..000000000 --- a/public/marvinjs/examples/example-customize-service.html +++ /dev/null @@ -1,113 +0,0 @@ - - - - - Marvin JS Example to customize service - - - - - - - - - - -

    Marvin JS Example to customize service

    - -

    The Clean2D webservice is not available at startup (its icon is missing from the toolbar). You have an input form where you can specify the location of the Clean2D - webservice. As you apply the form, it disappears and the Clean2D service is registered to the sketcher with the given URL. After that, the Clean icon appears - on the toolbar and you can perform clean operation on the drawn structure.

    - -

    Clean operation can fail in the following cases: -

      -
    • Wrong URL
      • -
    • The server where the URL points is not available.
      • -
    • The webservice is located on different domain than the editor (browser can block the request via the webservice if it harms its same origin policy).
      • -
    • The webservice is not compatible with the current JChem Webservice version that Marvin JS expects (e.g.: unexpected input or output data).
      • -
    -

    -
    - Clean2D Webservice location:
    - - - -
    -
    - -
    - -
    -

    Initialize the input form at startup. When the Apply Service button is submitted, the setServices function of the sketcher - is called to apply the given service to the editor. The function expects a JavaScript object that describes one or more webservices. - Finally, hide the input form to prevent applying further services.

    - 
    -			$(document).ready(function handleDocumentReady (e) {
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				resetForm();
-				initControls();
-			}, function () {
-				alert("Cannot retrieve sketcher instance from iframe");
-			});
-		});
-
-		function initControls () {
-			$("#restoreButton").on("click", resetForm);
-			$("#applyButton").on("click", function (e) {
-				submitService($("#clean2dws-location").val());
-
-			});
-		}
-
-		function resetForm() {
-			$("#clean2dws-location").val(getDefaultServices()["clean2dws"]);
-		}
-
-		function submitService(url) {
-			var services = {
-				"clean2dws" : (url == "") ? null : url
-			};
-			marvinSketcherInstance.setServices(services);
-			$("#serviceForm").hide();
-		}
-			
-
    -
    - - - diff --git a/public/marvinjs/examples/example-defaulttool.html b/public/marvinjs/examples/example-defaulttool.html deleted file mode 100644 index b8672677d..000000000 --- a/public/marvinjs/examples/example-defaulttool.html +++ /dev/null @@ -1,100 +0,0 @@ - - - - - Marvin JS Example - Change the default tool - - - - - - - - - -

    Marvin JS Example - Change default tool

    - -
    -
    - Rectangle - Lasso -
    -
    - -
    -
    -
    -

    In this example, you can change the default tool of the editor. - Select the default tool. Default tool is not the same as the actual tool of the editor. By contrast the actual tool, default tool has relevance in such situations when it is not clear which tool should be activated. In these cases you can denote a tool which should be selected as the default one. For example after pushing the Esc keyboard button.

    - 

    
-	<div style="padding-bottom: 0.8em;">
-		<input type="radio" name="defaulttool-group" value="rectangleSelection" checked>Rectangle</input>
-		<input type="radio" name="defaulttool-group" value="lassoSelection">Lasso</input>
-	</div>
-

    - -

    When you take a look at the source code, you can see that a listener function is bound to the change events of radio buttons. - When a change event is invoked, the updateDefaultTool(value) function is performed. - This function assembles a JavaScript object that describes display settings and call the setDisplaySettings(settings) function of the sketcher. - Only give settings that you would like to overwrite. In this case, this is the defaultTool property.

    - - 

    
-		var marvinSketcherInstance;
-
-		$(document).ready(function handleDocumentReady (e) {
-			// after editor in the sketch iframe is ready store its reference 
-			// and activate controls
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				initControls();
-			},function (error) {
-				alert("Cannot retrieve sketcher instance from iframe:"+error);
-			});
-		});
-
-		function initControls () {
-			// change layout
-			$("input[name='defaulttool-group']").change(function(e) {
-				var s = $(this).val();
-				updateDefaultTool(s);
-			});
-		}
-
-		function updateDefaultTool(tool) {
-			marvinSketcherInstance.setDisplaySettings({
-				"defaultTool": tool
-			});
-		}

    -
    - - - diff --git a/public/marvinjs/examples/example-edit-images.html b/public/marvinjs/examples/example-edit-images.html deleted file mode 100644 index 1f82fa77e..000000000 --- a/public/marvinjs/examples/example-edit-images.html +++ /dev/null @@ -1,249 +0,0 @@ - - - - - - Marvin JS Examples - Edit images - - - - - - - - - - - - - - -

    Marvin JS Examples - Edit images

    - -

    A molecule table should be displayed as the loading of the page is finished. See below the commented code

    - - -
    -

    Preparation of the page is in progress ...

    -
    - - -
    - -

    There is a DIV where generated images will appear. -

    <div id="imageContainer" class="image-container">
-<p>Preparation of the page is in progress ...</p>
-</div>

    - -

    We need a hidden DIV with the highest z-index. It is the popup window with a close button and with the editor iframe. This popup window appears when a picture is edited. -

    <div id="popup" class="popup-window" style="position: fixed; left:0px; top:0px; z-index:100; visibility: hidden; opacity: 0;">
-	<div class="wrapper">
-		<div id="title-bar"><input id="close" type="button" class="close-button" value="Done ×"></div>
-		<div id="sketchContainer">
-			<iframe id="sketchImg" src="../editor.html" ></iframe>
-		</div>
-	</div>
-</div>

    -

    You will need the following JS libraries for this example. They are bundled to the header of the example page. -The first one is a promise implementation, the second loads MarvinJSUtil. -

      <script src="../gui/lib/promise-1.0.0.min.js"></script>
-  <script src="../js/marvinjslauncher.js"></script>

    -

    These global variables are also defined in this example: -

      -
    • marvin - reference to the Marvin JS API
      • -
    • marvinSketcherInstance - reference to the editor in the iframe
      • -
    • editorControl - controller to open / close the editor and modify images
      • -
    • molecules - molecule sources
      • -

    -

    Below you can see the code that is embedded into the $(document).ready(function handleDocumentReady (e) { ... }); block.

    -

    To hide the editor when the close button is submit, bind an event handler to the close button. -

    		$("#close").bind("click", function() {
-			editorControl.close();
-		});
-

    -

    For the image export, marvin object is required that encapsulates the whole Marvin JS API into a common namespace.
    -Since you have an editor in an iframe where marvin is already available, you can use this instance.
    -The MarvinJSUtil.getPackage(String) helps to receive its reference. -When marvin is ready, the exportImages() function creates initial molecule images. -

    		MarvinJSUtil.getPackage("sketchImg").then(function (marvinNameSpace) {
-			marvinNameSpace.onReady(function () {
-				marvin = marvinNameSpace;
-				exportImages();
-			});
-		}, function () {
-			alert("Cannot retrieve marvin instance from iframe");
-		});
-

    -

    Meanwhile, you can get the reference to the editor with the help of MarvinJSUtil.getEditor(String). -When you received it, save it for later usage and attempt to open the editor with the selected image. -

    		MarvinJSUtil.getEditor("sketchImg").then(function (sketcherInstance) {
-			marvinSketcherInstance = sketcherInstance;
-			// open editor if any image is selected
-			editorControl.open();
-	  	}, function () {
-			alert("Cannot retrieve sketcher instance from iframe");
-		});

    - -

    Thus, that has happened in the document.ready block. -

    As above mentioned, exportImages() function creates inital molecule images and insert them into the proper DIV element on the page. -This function creates a new image tag for each molecule. -The marvin.ImageExporter.mrvToDataUrl(String) function creates a image data URI from an MRV source. -The MRV source is also inserted into the new image tag as the alt attribute. -

    	function exportImages() {
-		var docFrag = document.createDocumentFragment();
-		for(i=0; i<molecules.length;i++) {
-		  var imgData = marvin.ImageExporter.mrvToDataUrl(molecules[i]);
-		  if(imgData != null) {
-			var dv = $('<div>', { class: "mol-cell" });
-			$('<span>', { text: ("Compound #" + (i+1))}).appendTo(dv);
-			$('<img>', { name: "pict", src: imgData, alt: escape(molecules[i]), onclick:"clickOnImage(this)"}).appendTo(dv);
-			dv.appendTo(docFrag);
-		  }
-	  	}
-		$('<div>', { class: "table-bottom" }).appendTo(docFrag);
-	  	$("#imageContainer").append(docFrag);
-	}

    - -

    The editorControl is responsible to show the editor with the proper structure or hide it and refresh its image. -The currentPict is a reference to the <img> from the DOM that you would like to edit.
    -If it is null, it means that no image has been selected yet to edit. -The molecule source for an image is stored in its alt attribute.

    -
    	var editorControl = (function() {
-		
-		var currentPict = null;
-		
-		var controlObject = {
-			"picture" : function picture(pict) {
-				currentPict = pict;
-			}
-			,"open" : function openEditor() {
-				if(currentPict != null) {
-					marvinSketcherInstance.importStructure("mrv", unescape(currentPict.alt));
-					$("#popup").css("visibility", "visible");
-					$("#popup").css("opacity", 1);
-				}
-			}
-			,"close" : function closeEditor() {
-				if(marvinSketcherInstance != null) {
-					var cp = currentPict;
-					marvinSketcherInstance.exportStructure("mrv").then(function(s) {
-						cp.alt = escape(s);
-						cp.src = marvin.ImageExporter.mrvToDataUrl(s);	
-					}, function(error) {
-						alert(error);
-					});
-				}
-				$("#popup").css("visibility", "hidden");
-				$("#popup").css("opacity", 0);
-			}
-		};
-		return controlObject;
-	}());
-
    -

    When a click event is invoked on an <img> tag, the clickOnImage function is performed. -It passes the reference of the current image to the editorControl -and ask it to open the editor.

    -
    -
    	function clickOnImage(pict) {
-		editorControl.picture(pict);
-		editorControl.open();
-	}
    - - - - diff --git a/public/marvinjs/examples/example-get-selection.html b/public/marvinjs/examples/example-get-selection.html deleted file mode 100644 index 4d1278ca9..000000000 --- a/public/marvinjs/examples/example-get-selection.html +++ /dev/null @@ -1,155 +0,0 @@ - - - - - Marvin JS Examples - Get Selection - - - - - - - - - -

    Marvin JS Examples - Get Selection

    - -
    -
    - -
    -

    -

    -
    -

    This example demonstrates how to inject selection information into the generated MRV source.

    -

    When Get Selection button is pushed, the getSelection function is called that retrieves the canvas content in MRV format. Since exportStructure is an asynchronous request, we get index of selected atoms when the MRV source received.

    -

    After that, inject selection information into the MRV source with the help of mrvWithSelection function. - Its result displays in the below text box

    - 
    	$(document).ready(function handleDocumentReady (e) {
-		MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-			// initalize sketcher
-			sketcherInstance.importStructure("mol",caffeineSource);
-			sketcherInstance.setDisplaySettings({
-				'carbonLabelVisible' : true,
-				'atomIndicesVisible' : true
-			});
-
-			getSelection = function () {
-				sketcherInstance.exportStructure("mrv").then(function(source) {
-					var selection = sketcherInstance.getSelection();
-					$("#molsource").val(mrvWithSelection(source, selection));
-				}, function(error) {
-					alert("Cannot retrieve the molecule source");
-				});	
-			};
-			
-			$("#getSelectionButton").on("click", getSelection);
-
-
-		}, function () {
-			alert("Cannot retrieve sketcher instance from iframe");
-		});
-	});
    - -

    The mrvWithSelection function checks whether selection is empty. - If yes, it does nothing just returns with the original MRV source. - - If the selection contains one or more atom indeces, it builds up a DOM object from the MRV source and iterates over the list of indeces to find the appropriate atom tags. Append the "isSelect" attribute to each atom tag that matched. - Finally, it serializes the above DOM object and returns with the generated string

    - 
    	function mrvWithSelection(mrv, selection) {
-		var parser = new DOMParser();
-		if(selection && selection.atoms) {
-			var xml = parser.parseFromString(mrv, "text/xml");
-			var atoms = xml.getElementsByTagName('atom');
-			var selectedAtoms = selection.atoms.split(",");
-			for(var i = 0; i < selectedAtoms.length; i++) {
-				var index = selectedAtoms[i]-1;
-				if(atoms[index]) {
-					atoms[index].setAttribute("isSelected", true);
-				}
-			}
-			return new XMLSerializer().serializeToString(xml);
-		}
-		return mrv;
-	}
    - - - diff --git a/public/marvinjs/examples/example-getimage.html b/public/marvinjs/examples/example-getimage.html deleted file mode 100644 index 2577ca6b4..000000000 --- a/public/marvinjs/examples/example-getimage.html +++ /dev/null @@ -1,112 +0,0 @@ - - - - - Marvin JS Example - Get The Image - - - - - - - - - -

    Marvin JS Example - Get The Image

    - - -
    - -
    -
      -
      • -
    • - -
      • -
    -
    -

    This example demonstrates how to retrieve the molecule image from the sketcher. When you push the Export - button, the current molecule is exported as a JPEG image. The result is shown next to the editor.

    -

    First of all, you need a reference for the current editor. - MarvinJSUtil.getEditor(String) provides a Promise object for you to get it when the editor is ready.

    -

    After the editor is loaded, run the initcontrol() function to bind action the the Export button.

    -

    When the button is clicked, the exportImage(String) function of the editor is called. It provides a Promise object to access the result - of the export process. Call its then(...) function with the callback function that describes what you would like to do with the export result. - In this case, the src attribute of the <img> tag is updated with the image source.

    - 
    		var marvinSketcherInstance;
-		
-		$(document).ready(function handleDocumentReady (e) {
-			// get the reference to the Marvin JS editor
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				initControl();
-			},function (error) {
-				alert("Cannot retrieve sketcher instance from iframe:"+error);
-			});
-		});
-
-		function initControl () {
-
-			// the export button
-			$("#btn-export").on("click", function (e) {
-				var settings = marvinSketcherInstance.getDisplaySettings(); 
-				settings.width = 420;
-				settings.height = 420;
-				settings.backgroundColor = "#ffffff";
-				marvinSketcherInstance.exportStructure("jpeg", settings).then(function(source) {
-					exportImage(source);
-				}, function(error) {
-					alert("Image export failed:"+error);	
-				});
-			});
-		}
-
-		function exportImage(dataUrl) {
-			// set image source for the existing hidden image tag and display it.
-			$("#image").attr("src", dataUrl);
-			$("#imageContainer").css("display", "inline-block");
-		}
-
-
    -
    - - - diff --git a/public/marvinjs/examples/example-getmol-with-ws.html b/public/marvinjs/examples/example-getmol-with-ws.html deleted file mode 100644 index 0a47f8a3c..000000000 --- a/public/marvinjs/examples/example-getmol-with-ws.html +++ /dev/null @@ -1,106 +0,0 @@ - - - - - Marvin JS Example - Get The Molecule via webservices - - - - - - - - - - -

    Marvin JS Example - Get The Molecule

    - - -
    - -
    -
      -
      • -
    • Enable molconvertws
      • -
      • -
    -
    -

    This example demonstrates how to retrieve a structure from Marvin JS editor, using extra export options.

    - -

    JChem Webservices (the web service implementation provided by ChemAxon) can accept special - export options . The exportStructure() API function of Marvin JS gives the chance to specify export parameters for the molExport service.

    -

    In this example, +H export option (adding explicit Hydrogens to the structure) is passed to the molExport service. If the extra option has been specified, the exportStructure passes the request directly to the remote service instead of evaluating it on client side. - If the location of the service has not been specified, an error message is thrown.

    -

    Please, take care that Marvin JS does not check whether the extra export options passed to WS are valid or not.

    - -

    When the Get mol button is pressed, the current molecule is retrieved from the editor in mol format and the result is displayed in the textbox.

    -

    By unchecking the webservice checkbox, you can switch off the molExport web service. After this, pressing the Get mol button results in an error message, saying: "Unsupported format mol:+H".

    - 
    var marvinSketcherInstance;
-
-$(document).ready(function handleDocumentReady (e) {
-	var p = MarvinJSUtil.getEditor("#sketch");
-	p.then(function (sketcherInstance) {
-		marvinSketcherInstance = sketcherInstance;
-		initControl();
-	}, function (error) {
-		alert("Cannot retrieve sketcher instance from iframe:"+error);
-	});
-});
-
-function initControl () {
-
-	// get mol button
-	$("#btn-getmol").on("click", function (e) {
-		marvinSketcherInstance.exportStructure("mol", {"extra": "+H"}).then(function(source) {
-			$("#molsource").text(source);
-		}, function(error) {
-			alert("Molecule export failed:"+error);	
-		});
-	});
-	var molconvertws_value = getDefaultServices()["molconvertws"]
-	$("#btn-service").change(function(e) {
-		var services = {
-			"molconvertws" : (e.target['checked']) ? molconvertws_value : null
-		};
-		marvinSketcherInstance.setServices(services);
-	});
-}
-
-
-
    -
    - - - diff --git a/public/marvinjs/examples/example-getmol.html b/public/marvinjs/examples/example-getmol.html deleted file mode 100644 index 4295cca99..000000000 --- a/public/marvinjs/examples/example-getmol.html +++ /dev/null @@ -1,88 +0,0 @@ - - - - - Marvin JS Example - Get The Molecule - - - - - - - - - -

    Marvin JS Example - Get The Molecule

    - - -
    - -
    -
      -
      • -
      • -
    -
    -

    This example demonstrates how to retrieve the molecule from the sketcher. When you push the Get mol - button, the current molecule is retrieved from the editor in MRV format and the result is displayed in the textbox.

    -

    First of all, you need a reference for the editor. MarvinJSUtil.getEditor(String) provides a Promise object for you to get it - when the editor is ready.

    -

    After the editor is loaded, run the initcontrol() function to bind action the the Get mol button.

    -

    When the button is clicked, the exportStructure(String) function of the editor is called. Its provides a Promise object to access the result - of the export process. Call its then(...) function with the callback function that describes what you would like to do with the export result. - In this case, it is displayed in the molsource textbox.

    - 
    var marvinSketcherInstance;
-
-$(document).ready(function handleDocumentReady (e) {
-	var p = MarvinJSUtil.getEditor("#sketch");
-	p.then(function (sketcherInstance) {
-		marvinSketcherInstance = sketcherInstance;
-		initControl();
-	}, function (error) {
-		alert("Cannot retrieve sketcher instance from iframe:"+error);
-	});
-});
-
-function initControl () {
-
-	// get mol button
-	$("#btn-getmol").on("click", function (e) {
-		marvinSketcherInstance.exportStructure("mrv").then(function(source) {
-			$("#molsource").text(source);
-		}, function(error) {
-			alert("Molecule export failed:"+error);	
-		});
-	});
-}
-
-
-
    -
    - - - diff --git a/public/marvinjs/examples/example-highlight-by-index.html b/public/marvinjs/examples/example-highlight-by-index.html deleted file mode 100644 index 44a3d4f8a..000000000 --- a/public/marvinjs/examples/example-highlight-by-index.html +++ /dev/null @@ -1,132 +0,0 @@ - - - - - Marvin JS Examples - Highlight By Index - - - - - - - - - -

    Marvin JS Examples - Highlight By Index

    - -
    - -
    -
    - Color: - Opacity (0-100%): - Size (40-200%): - - -
    -

    This example demonstrates how to paint a custom patch for atom and bonds.

    -

    How to try it:

    -

    Draw a structure and select those atoms and bonds that you would like to highlight with colored patch.

    -

    After that, specify the style: select color, setup opacity value between 0.0 and 1.0 - (0 is full transparent, 1 is total opaque). - Then, set the relative size of the patch (relative to the selection feedback). - Finally, apply settings. If you push the Overwrite highlight button, the previously set patches will be deleted. - If you choose Append highlight, the current patches are preserved and new settings are appended to them. -

    Notes: -

      -
    • If several styles are applied to the editor, the patches may overlaps each other.
      • -
    • Reaction converter is switched off to avoid atom index collision (among reaction compounds).
      • -
    -

    - -

    You can see the code comment below.

    -

    First of all, we request a reference to the loaded editor. - Then, we bind click handler for the submit buttons. - We will need an array (highlights)where we cache applied styles. - 

    	var marvinSketcherInstance;
-	var highlights = [];
-
-	$(document).ready(function handleDocumentReady (e) {
-		MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-			// initalize sketcher
-			marvinSketcherInstance = sketcherInstance;
-			$('#overwriteButton').click(onButtonClick);
-			$('#appendButton').click(onButtonClick);
-		});
-	});
    - -

    The onButtonClick function, determines the current behaviour: append or overwrite the current style with the new one. - After that, we retrieve the selection from the editor to apply the new style to the desired atoms/bonds. - In the selection, the atoms and bonds are referred by atom indexes.

    -

    If we choose overwrite option, we reset the previously stored highlight history (highlights).

    -

    The createHighlight function is responsible to create the new highlight style from the given data. - The new highlight object is added to the highlights array. - This array is applied to the setHighlight function of the editor.

    - 
    	function onButtonClick(e) {
-		var b = (e.target.id =='overwriteButton');
-		var selection = marvinSketcherInstance.getSelection();
-		if(b) {
-			highlights = [];
-		}
-		highlights.push(createHighlight(selection));
-		marvinSketcherInstance.setHighlight(highlights);
-	}
    -

    The createHighlight function expects the selection object. - The highlight object has an indexes property. It is an object with an atom and a bond list. - The atom index list of selection object is a string that represents a comma separated list of indexes. Convert it to string array before assign it to the highlight.indexes. - Do the same with the bond index list. -

    After that, you can create highlight.style object. Retrieve the value of the color input field. - Convert value of the opacity field into the 0 - 1 range. Do the same with the size value.

    -

    The created highlight objects defines atoms and bonds by UID and specify style with color, opacity and size properties.

    - 
    	function createHighlight(selection) {
-		var highlight = {};
-		highlight.indexes = {}
-		highlight.indexes.atoms = (selection.atoms.length == 0)? [] : selection.atoms.split(',');
-		highlight.indexes.bonds = (selection.bonds.length == 0)? [] : selection.bonds.split(','); 
-		highlight.style = {}
-		highlight.style.color = $('#colorValue').val();
-		var opacity = $('#opacityValue').val()/100;
-		highlight.style.opacity = opacity;
-		var size = $('#sizeValue').val()/100;
-		highlight.style.size = size;
-		return highlight;
-	}
    - - - diff --git a/public/marvinjs/examples/example-highlight.html b/public/marvinjs/examples/example-highlight.html deleted file mode 100644 index 82189b6f6..000000000 --- a/public/marvinjs/examples/example-highlight.html +++ /dev/null @@ -1,209 +0,0 @@ - - - - - Marvin JS Examples - Highlight By Unique ID - - - - - - - - - -

    Marvin JS Examples - Highlight By Unique ID

    - -
    - -
    -
    - Color: - Opacity (0-100%): - Size (40-200%): - - -
    -

    This example demonstrates how to paint a custom patch for atoms and bonds.

    -

    How to try it:

    -

    Draw a structure and select those atoms and bonds that you would like to highlight with colored patch.

    -

    After that, specify the style: select color, setup opacity value between 0.0 and 1.0 (0 is full transparent, 1 is total opaque). - Then, set the relative size of the patch (relative to the selection feedback). Finally, apply settings.

    -

    If you push Overwrite highlight button, the previously set patches will be deleted. - If you choose Append highlight, the current patches will be preserved and new settings will be appended to them.

    -

    Notes: -

      -
    • If several styles are applied to the editor, the patches may overlaps each other.
      • -
    • Reaction converter is switched off to avoid atom index collision (among reaction compounds).
      • -
    -

    - -

    You can see the code comment below.

    -

    First of all, we request a reference to the loaded editor. Then, we bind click handler for the submit buttons. - We will need an array (highlights)were we cache the applied styles and a DOM parser (parser) that helps us to seek data in MRV sources.

    - 
    	var marvinSketcherInstance;
-	var highlights = [];
-	var parser = new DOMParser();
-	
-	$(document).ready(function handleDocumentReady (e) {
-		MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-			// initalize sketcher
-			marvinSketcherInstance = sketcherInstance;
-			$('#overwriteButton').click(onButtonClick);
-			$('#appendButton').click(onButtonClick);
-		});
-	});
    - -

    The onButtonClick function, determines the current behavior: append or overwrite the current style with the new one. - After that, we retrieve the selection from the editor to apply the new style to the desired atoms/bonds. - In the selection, the atoms and bonds are referred by atom indexes.

    -

    To retrieve the unique ID (UID) of these atoms, we have to get the molecule source of the structure. - To do that, specify hasUID export option in exportStructure function.

    -

    When the molecule source arrived, we are ready to create the new highlight settings.

    -

    If we choose the overwrite option, we reset the previously stored highlight history (highlights).

    -

    The createHighlight function is responsible to create the new highlight style from the given data. - The new highlight object is added to the highlights array. - This array is applied to the setHighlight function of the editor.

    - 
    	function onButtonClick(e) {
-		var b = (e.target.id =='overwriteButton');
-		var selection = marvinSketcherInstance.getSelection();
-		marvinSketcherInstance.exportStructure('mrv', { hasUID: true}).then(function(source) {
-			if(b) {
-				highlights = [];
-			}
-			highlights.push(createHighlight(source, selection));
-			marvinSketcherInstance.setHighlight(highlights);
-		}, alert);
-	}
    -

    The createHighlight function expects two parameters: the molecule source and the selection object. - First of all, an xml object is created from the MRV source to be able to seek the UID properties. - Atom UID is stored in a child (scalar) tag of the atom tag. - The atoms field of the selection object gives index of selected atoms. - The ID of the scalar tag that describes the UID property of the n-th atom can describe in the following format: - a<index>.prop1 where <index> is the index of the atom. - Get it with the help of the getElementById function, and appends its value to the highlight.uids.atoms array.

    -

    You can get bond UID in a similar way. In this case, the ID of the scalar tag is in the following format: - a<index of begin atom>;a<index of end atom>.prop1. - The bond UIDs are collected into highlight.uids.bond array.

    -

    After that, you can create the highlight.style object. Retrieve the value of the color input field. - Convert value of the opacity field into the 0 - 1 range. Do the same with the size value.

    -

    The created highlight objects define atoms and bonds by UID and specify style with color, opacity and size properties.

    - 
    	function createHighlight(source, selection) {
-		var xml = parser.parseFromString(source, "text/xml");
-		var highlight = {};
-		highlight.uids = {};
-		highlight.uids.atoms = [];
-		highlight.uids.bonds = [];
-		var atoms = (selection.atoms.length == 0)? [] : selection.atoms.split(',');
-		var bonds = (selection.bonds.length == 0)? [] : selection.bonds.split(',');
-		for(i = 0; i < atoms.length; i++) {
-			var atom = selectById(xml, 'a'+atoms[i]+'.prop1'); 
-			if(atom) {
-				var uid = atom.textContent;
-				highlight.uids.atoms.push(uid);
-			} else {
-				console.log('Cannot find property#a'+atoms[i]+'.prop1');
-			}
-		}
-		for(i = 0; i < bonds.length; i++) {
-			var edges = bonds[i].split('-');
-			var bond = selectById(xml, 'a'+edges[0]+'a'+edges[1]+'.prop1');
-			if(bond) {
-				var buid = bond.textContent;
-				highlight.uids.bonds.push(buid);
-			} else {
-				console.log('Cannot find property#a'+edges[0]+'a'+edges[1]+'.prop1');
-			}
-		}
-		highlight.style = {}
-		highlight.style.color = $('#colorValue').val();
-		var opacity = $('#opacityValue').val()/100;
-		highlight.style.opacity = opacity;
-		var size = $('#sizeValue').val()/100;
-		highlight.style.size = size;
-		return highlight;
-	}
    - - - diff --git a/public/marvinjs/examples/example-lazyinit.html b/public/marvinjs/examples/example-lazyinit.html deleted file mode 100644 index 77079b499..000000000 --- a/public/marvinjs/examples/example-lazyinit.html +++ /dev/null @@ -1,37 +0,0 @@ - - - - - Marvin JS Example - Lazy init - - - - - - - -

    Marvin JS Example - Lazy init

    - -
    - -
    - - - diff --git a/public/marvinjs/examples/example-lonepair.html b/public/marvinjs/examples/example-lonepair.html deleted file mode 100644 index 06be60158..000000000 --- a/public/marvinjs/examples/example-lonepair.html +++ /dev/null @@ -1,150 +0,0 @@ - - - - - - Marvin JS Example - Set lone pairs manually - - - - - - - - - -

    Marvin JS Example - How to change the editor settings for adding lone pairs manually feature

    - -
    - EDUCATION MODE -
    -
    - -
    -
    -

    This example demonstrates all of the preparations which should be made before applying the manual lone pair usage. - When EDUCATION MODE is activated via its checkbox, the following settings will be applied: -

      -
    • automatic lone pair calculation is disabled, every atom gets 0 lone pairs immediately
      • -
    • 'Increase lone pairs' button is enabled on the toolbar, and becomes ready to use
      • -
    • on copy, any structure is placed in MRV format to the clipboard
      • -
    • implicit hydrogens are hidden
      • -
    • valence errors are hidden.
      • -
    • circled plus / minus sign at charge.
      • -
    - When the checkbox is inactivated, the DEFAULT settings will be applied: -
      -
    • automatic lone pair calculation is enabled, the lone pairs are recalculatedon every atom
      • -
    • 'Increase lone pairs' button is disabled on the toolbar
      • -
    • on copy, any structure is placed as MDL MOL file to the clipboard
      • -
    • implicit hydrogens are visible on terminal and hetero atoms
      • -
    • valence errors are visible.
      • -
    • normal plus / minus sign at charge.
      • -
    - To see the differences between the two settings, some structures are set to the editor. (This example will return to this initial state on page refresh.) - - - In this example, the reporting preset has been set, and the display of lone pairs has been turned on. Please, note that lone pairs are not visible by default in Marvin JS and 'Increase lone pairs' button is only available in the education and the reporting preset. - - -

    At startup, EDUCATION MODE is not set in Marvin JS.

    - 
    <iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-toolbars="reporting" ></iframe>
    -

    First of all, a reference is needed for the editor. MarvinJSUtil.getEditor(String) provides a Promise object to get it - when the editor is ready.

    -

    After the editor is loaded and an initial molecule is set, initcontrol() function binds actions to the EDUCATION MODE checkbox. Invoking initcontrol() function ensures that the initial state of the checkbox is consistent with the initial settings of the editor in this example.

    - 
    		
-		var marvinSketcherInstance;
-
-		var molecule = "\n\n\n"+
-		"  6  3  0  0  0  0  0  0  0  0999 V2000\n"+
-		"    0.0000   -0.0418    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    2.4274    0.0000    0.0000 Ne  0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    3.1419    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    1.7129    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    2.4274   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"   -1.7299   -0.0558    0.0000 Kr  0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"  2  3  1  0  0  0  0\n"+
-		"  2  4  1  0  0  0  0\n"+
-		"  2  5  1  0  0  0  0\n"+
-		"M  END\n";
-		
-		$(document).ready(function handleDocumentReady (e) {
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				marvinSketcherInstance.importStructure("mol",molecule);
-				initControl();
-				update($("#chbx-educationmode"));
-			},function (error) {
-				alert("Cannot retrieve sketcher instance from iframe:"+error);
-			});
-		});
    -

    Changing the checkbox value triggers the update of the editor settings. - In the change event handler, the target of the change event is the checkbox. If the checkbox is checked, the new settings are applied to the editor. - Settings of the editor can be updated with its setDisplaySettings(settings) function.

    - 
    		
-		function initControl () {
-			$("#chbx-educationmode").on("change", function (e) {
-				update(e.target);
-			});
-		}
-		
-		function update(checkBox){
-			var settings = {};
-			settings.lonePairsVisible= true;
-			settings.lonepaircalculationenabled = !(checkBox.checked);
-			settings.copyasmrv = checkBox.checked;
-			settings.implicitHydrogen = (checkBox.checked) ? "OFF" : "TERMINAL_AND_HETERO";
-			settings.valenceErrorVisible = !(checkBox.checked);
-			settings.circledsign = checkBox.checked;
-			marvinSketcherInstance.setDisplaySettings(settings);
-		}
-
    -
    - - - diff --git a/public/marvinjs/examples/example-more-images-immediately.html b/public/marvinjs/examples/example-more-images-immediately.html deleted file mode 100644 index bcec5280c..000000000 --- a/public/marvinjs/examples/example-more-images-immediately.html +++ /dev/null @@ -1,136 +0,0 @@ - - - - - - Marvin JS Examples - Display More Images Immediately - - - - - - - - - - - - -

    Marvin JS Examples - Display More Images Immediately

    - -

    A molecule table should be displayed as the loading of the page is finished. See below the commented code

    - - - -
    -

    Preparation of the page is in progress ...

    -
    - -
    - -

    First of all, you need the marvin object that encapsulates the whole Marvin JS API into a common namespace. The MarvinJSUtil loads it asynchronously with the help of an invisible iframe. -After marvin is available, the exportImages function is called automatically.

    -
    	var marvin;
-	$(document).ready(function handleDocumentReady (e) {
-		// load marvin namespace in a separate frame to avoid css conflict
-		// the display attribute of this iframe cannot be "none", but you can hide it somewhere	
-		$('body').append($('<iframe>', { id: "marvinjs-iframe", src: "../marvinpack.html"}));
-		// wait for the reference of marvin namespace from the iframe
-		MarvinJSUtil.getPackage("#marvinjs-iframe").then(function (marvinNameSpace) {
-			// the reference to the namespace is arrived but there is no guaranty that its initalization has been finished
-			// because of it, wait till the ready state to be sure the whole API is available
-			marvinNameSpace.onReady(function() {
-				marvin = marvinNameSpace;
-				exportImages();
-			});
-		},function (error) {
-			alert("Cannot retrieve marvin instance from iframe:"+error);
-		});
-	});
    -

    The exportImages function converts predefined molecules into images and renders them into a table.

    -
    	function exportImages() {
-		// initalize table
-		$("#imageContainer").empty();
-		// iterate the array of molecule sources to create images
-		$.each(molecules, function(index, value) {
-			var imgData = marvin.ImageExporter.molToDataUrl(value);
-			// create a new cell with the new image and append to the table
-			if(imgData != null) {
-				var molCell = $('<div>', { class: "mol-cell"});
-				$("#imageContainer").append(molCell);
-				molCell.append($('<span>', { text: (index+1) }));
-				var img = $('<img>');
-				img.attr('src', imgData);
-				img.attr('data-mol', escape(value));
-				molCell.append(img);
-			}
-		});
-		// close table
-		$("#imageContainer").append($('<div>', { class: "table-bottom"}));
-	}
    -
    - - - diff --git a/public/marvinjs/examples/example-qrcode.html b/public/marvinjs/examples/example-qrcode.html deleted file mode 100644 index 341dc1051..000000000 --- a/public/marvinjs/examples/example-qrcode.html +++ /dev/null @@ -1,314 +0,0 @@ - - - - - Marvin JS Example - Create QR Code - - - - - - - - - - - -

    Marvin JS Example - Create QR Code

    - -

    You can create QR Code from the drawn structure. If the MolConvert web service is not available, error message appears on the page when you attempt to convert the structure.

    -

    In the text field above the sketcher, you can specify the target URL encoded into the QR Code.

    -

    Please, press the QR Code button on the left toolbar to generate QR Code image from the current structure. The generated code can be scanned by your mobile phone - (eg. with these apps: iOS , - Android).

    -
    - - - -
    -
    - -
    -
    -
    -

    -
    -
    -

    When the page is loaded, setup a molecule for the sketcher, define a custom button to submit QR Code generation process and provide an option to change - the URL prefix of the generated code by the creating a textbox.

    - 
    
-var marvinSketcherInstance;
-
-$(document).ready(function handleDocumentReady (e) {
-	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-		marvinSketcherInstance = sketcherInstance;
-			$("#resetButton").on("click", function handlegetQRCodeButton () {
-			qrCodeControl.reset();
-		});
-		var buttonAttributes = {
-				"name" : "Generate QR Code",
-				"image-url" : "examples/images/qr.png",
-				"toolbar" : "W"
-		};
-		sketcherInstance.addButton(buttonAttributes, function() {
-			qrCodeControl.getQRCode();
-		});
-		
-		var s = "\n\n\n"+
-		" 14 15  0  0  0  0  0  0  0  0999 V2000\n"+
-		"    0.5089    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    1.2234    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    1.2234    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"   -0.2055    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"   -0.9200    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    0.5089    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"   -0.2055    7.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    0.5089    6.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"   -0.9200    6.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    0.5089    8.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    2.4929    7.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    2.0080    7.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    2.0080    6.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"    2.2630    8.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-		"  1  7  1  0  0  0  0\n"+
-		"  8  2  1  0  0  0  0\n"+
-		"  1  3  1  0  0  0  0\n"+
-		"  2  3  2  0  0  0  0\n"+
-		"  7  4  1  0  0  0  0\n"+
-		"  4  8  1  0  0  0  0\n"+
-		"  4  9  2  0  0  0  0\n"+
-		"  7  5  1  0  0  0  0\n"+
-		"  8  6  1  0  0  0  0\n"+
-		"  1 10  2  0  0  0  0\n"+
-		"  3 12  1  0  0  0  0\n"+
-		"  2 13  1  0  0  0  0\n"+
-		" 13 11  2  0  0  0  0\n"+
-		" 12 11  1  0  0  0  0\n"+
-		" 12 14  1  0  0  0  0\n"+
-		"M  END\n";
-		
-		sketcherInstance.importStructure("mol", s).catch(function(error) {
-			alert("Import structure failed:"+error);
-		});
-	}, function () {
-		alert("Cannot retrieve sketcher instance from iframe");
-	});
-});
-
    -

    The qrCodeControl object is responsible to retrieve the structure from the editor. It communicates with the MolConvert webservice via AJAX request - to convert the molecule to SMILES format. It provides the input for the QR Code generator. The QR Code generator expects a DOM object to insert into and a text data to encode.

    - 
    
-var qrCodeControl = (function () {
-
-	function getMolConvertURL() {
-		var ws = getDefaultServices();
-		return ws['molconvertws'];
-	};
-	
-	function handleRequestError (qXHR, textStatus, errorThrown) {
-		if (qXHR.status == 0) { // UNSENT request
-			var errMsg = "ERROR: MolConvert failed.\nThe request has not been sent.\nThe request may violate the cross domain policy.";
-			errorConsole.print(errMsg);
-		} else {
-			errorConsole.print("ERROR: MolConvert failed (status code "+ qXHR.status + ")\n" + qXHR.responseText);
-		}
-	};
-	var controlObject = {
-		"getQRCode": function getQRCode () {
-			errorConsole.reset();
-			var s = marvinSketcherInstance.exportAsMrv();
-			var data = JSON.stringify({
-				"structure" : s,
-				"inputFormat" : "mrv",
-				"parameters" : "smiles"
-			});
-			$.ajax({
-				"url": getMolConvertURL()
-				,"type": "POST"
-				,"dataType": "json"
-				,"contentType": "application/json"
-				,"data": data
-			}).done(function (data, textStatus, jqXHR) {
-				qrCodeControl.convertsmilesToQRCode(data['structure']);
-			}).fail(handleRequestError);
-		}
-
-		, "reset": function reset () {
-			$("#targetField").val("http://www.chemicalize.org/structure/#!mol=");
-			$("#result").empty();
-			errorConsole.reset();
-		}
-		
-		, "convertsmilesToQRCode": function convertsmilesToQRCode(smiles) {
-			$("#result").empty();
-			var qrCode = new QRCode(document.getElementById("result"), { "width" : 450, "height" : 450 , "correctLevel" : QRCode.CorrectLevel.M });
-			var s = $("#targetField").val() + escape(smiles);
-			qrCode.makeCode(s);
-		}
-	}
-	return controlObject;
-}());
-
    -

    The errorConsole object is responsible to display error messages.

    - 
    
-var errorConsole = (function () {
-	var controlObject = {
-		"reset" : function() {
-			$("#error").children("p").html("");
-		}
-		, "print" : function(txt) {
-			$("#error").children("p").html(txt);
-		}
-		, "isEmpty" : function() {
-			return ($("#error").children("p").html() === "");
-		}
-	};
-	return controlObject;
-}());
-
    -

    The following additional JavaScript libraries are required:

    - 
    
-	<script src="e;../js/lib/jquery-1.9.1.min.js"e;></script>
-	<script src="e;../js/webservices.js"e;></script>
-	<script src="e;../js/util.js"e;></script>
-	<script src="e;../js/lib/qrcode/qrcode.min.js"e;></script>
-	
-
    -

    The QR Code generation uses a contributed JavaScript library, it is under MIT license.

    - - - diff --git a/public/marvinjs/examples/example-reaction.html b/public/marvinjs/examples/example-reaction.html deleted file mode 100644 index 0471f66da..000000000 --- a/public/marvinjs/examples/example-reaction.html +++ /dev/null @@ -1,97 +0,0 @@ - - - - - - Marvin JS Example - No reaction - - - - - - - - - -

    Marvin JS Example - Reaction handling

    - - -
    - Create editor where reaction is: - - and ReactionConverter WS is - enabled. - -
    -
    - -
    -
    -
    - - - -
    To control how to handle reactions, specify the data-reaction attribute - in the iframe of the sketcher. - It accepts the following values: -
      -
      OFF
      -
      Canvas content is never applied as reaction. -

      Example:

      <iframe src="../editor.html" data-reaction="OFF" id="sketch" class="sketcher-frame"></iframe>

      - -
      BASIC
      -
      Built-in (native) mechanism to resolve single-step reactions at molecule export. -

      Example:

      <iframe src="../editor.html" data-reaction="BASIC" id="sketch" class="sketcher-frame"></iframe>

      - -
      EXTERNAL
      -
      Legacy behavior. The reactionconvertws webservice is responsible for - resolving reactions. If the webservice is not available, the behavior of the editor is similar than in OFF mode. - If the service is available, the service attempts to convert canvas content to a single step reaction at molecule export. -

      Example:

      <iframe src="../editor.html" data-reaction="EXTERNAL" id="sketch" class="sketcher-frame"></iframe>

      -
    -
    - - - diff --git a/public/marvinjs/examples/example-removedefaultservicefromtoolbar.html b/public/marvinjs/examples/example-removedefaultservicefromtoolbar.html deleted file mode 100644 index f4f38a3a1..000000000 --- a/public/marvinjs/examples/example-removedefaultservicefromtoolbar.html +++ /dev/null @@ -1,97 +0,0 @@ - - - - - Marvin JS Example - Configure toolbars and services - - - - - - - - - - - -

    Marvin JS Example - Configure toolbars and services

    - -

    - This example demonstrates how to switch off certain server-side features in an editor that has a specific toolbar setting. New buttons can not be added through this usecase, and only those buttons can be removed which would be available with the toolbar preset. -

    -
    -
    - -
    -
    -
    -

    Embed the Marvin JS editor without the default webservices (editor.html) and specify the search layout: - 

    <div class="resizable">
-    <iframe src="../editor.html" id="sketch" class="sketcher-frame" data-toolbars="search"></iframe>
-</div>
    - -

    Include webservices.js in order to reach default webservice locations.

    - 
    <script src="../js/webservices.js"></script>
    - -

    Bind a listener to the loading of the sketcher. When the sketcher is loaded, the setServices method setups the services.

    - 
    
-$(document).ready(function handleDocumentReady (e) {
-	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-		setServices(sketcherInstance);
-	},function (error) {
-		//what should happen if marvinjs initiation fails.
-	});
-});
    -

    The setServices method receives the reference to the sketcher object as parameter. - The excluded object declares services to switch off. - With the predefined getDefaultServices(), you can get factory settings of services.

    -

    When you merge the above objects, the new one specifies all services (those ones that are not specified in - excluded inherits the default value, the others are overwritten).

    -

    Finally, call setServices function of the sketcher with the above settings. - After then, enabled services are activated (if current layout includes their button) and buttons of disabled - services are removed.

    - 
    
-function setServices(marvinSketcherInstance) {
-	// set null value for those services that you would like to switch off
-	var excluded = {
-		"stereoinfows": null, 
-		"hydrogenizews": null,
-	}
-	// all services
-	var defaultServices = getDefaultServices();
-	// merge defaultServices and excluded into an empty object
-	// the new object contains the result
-	var services = $.extend({}, defaultServices, excluded);
-	marvinSketcherInstance.setServices(services);
-}
    -
    - - - - - - - diff --git a/public/marvinjs/examples/example-selection.html b/public/marvinjs/examples/example-selection.html deleted file mode 100644 index 150c27222..000000000 --- a/public/marvinjs/examples/example-selection.html +++ /dev/null @@ -1,296 +0,0 @@ - - - - - Marvin JS Examples - Demo - - - - - - - - - -

    Marvin JS Examples - Manage selection

    - -
    - - - - -
    -
    - -
    -     		-
    -
    -

    Atoms:

    -

    Bonds:

    -
    -
    -

    Get selection automatically: - - -

    -

    Retrieve mol source at mol change: - Mol change counter: 0 - -

    -

    -
    -

    This example demonstrates how to control selection via JavaScript API and how to monitor the changing of the structure.

    -

    When selection information is retrieved from the sketcher, lists of selected atoms and bonds appear in the following textboxes: Atoms and Bonds.

    -

    If the checkbox titled as Get selection automatically is checked in, lists of selected atoms and bonds are retrieved automatically as the selected context is changed on the canvas. - When this functionality is disabled, you can retrieve the selection by submitting the Get selection button.

    - -

    You can edit both the atom list and bond list in the form. - Atoms can be referred to by their atom index. A bond can be described with the atom index of its nodes.

    -

    With the Set selection button, you can update selection in the editor. Those atoms and bonds will be selected that are enumerated on the selection form.

    - -

    To get the molecule source each time when the drawn structure is changed in the sketcher, check in the Retrieve mol source at mol change checkbox. The retrieved data appears in the - textbox beside the sketcher. You can find a counter next to the checkbox, that indicates how many times the mol change event is invoked. You can reset this counter by submitting the Reset counter button.

    - -

    You can see the code comment below.

    - - 
    		var marvinSketcherInstance;
-		var molChangeCounter;
-
-		$(document).ready(function handleDocumentReady (e) {
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				// initalize sketcher
-				marvinSketcherInstance = sketcherInstance;
-				marvinSketcherInstance.importStructure("mol",caffeineSource).catch(function(error) {
-					alert("Import failed:"+error);
-				});
-				marvinSketcherInstance.setDisplaySettings({
-					'carbonLabelVisible' : true,
-					'atomIndicesVisible' : true
-				});
-
-				 
-				getSelection = function () {
-					$("#atoms").val("");
-					$("#bonds").val("");
-					var selection = marvinSketcherInstance.getSelection();
-					$("#atoms").val(selection['atoms']);
-					$("#bonds").val(selection['bonds']);
-				};
-				
-				setSelection = function () {
-					marvinSketcherInstance.setSelection({
-						'atoms' : $('#atoms').val(),
-						'bonds' : $('#bonds').val()
-					});
-				};
-				
-				$("#getSelectionButton").on("click", getSelection);
-				
-				$("#setSelectionButton").on("click", setSelection);
-				
-				// true to switch on auto retrieve of selection, false to switch it off
-				setSelectionChangeListener = function(b) {
-					if(b) {
-						// add selection change event listener
-						marvinSketcherInstance.on("selectionchange", getSelection);
-						// disable manual retrieve when selection change event listener is active
-						$("#getSelectionButton").attr("disabled", "disabled");
-					} else {
-						// remove selection change event listener					
-						marvinSketcherInstance.off("selectionchange", getSelection);
-						// enable Get Selection button when selection change event listener is inactive
-						$("#getSelectionButton").removeAttr("disabled");
-					}
-				};
-
-				// when the checkbox is checked in/out by the user
-				$("#selectionChangeCheckbox").change(function () {
-					setSelectionChangeListener(this.checked);
-				});				
-				// activate the listener at startup if its checkbox is selected
-				if($("#selectionChangeCheckbox").prop('checked')) {
-					setSelectionChangeListener(true);
-				}
-				
-				molChangeCounter = 0;
-				
-				// update counter and display retrieved molecule source
-				handleMolChangeEvent = function () {
-					molChangeCounter = molChangeCounter+1;
-					$("#molChangeCounterDisplay").text(molChangeCounter);
-					marvinSketcherInstance.exportStructure("mrv").then(function(molsource) {
-						$("#molsource").val(molsource);	
-					}, function () {});
-				};
-				
-				// true to switch on auto retrieve of the molecule, false to switch it off
-				setMolChangeListener = function(b) {
-					if(b) {
-						// add mol change event listener					
-						marvinSketcherInstance.on("molchange", handleMolChangeEvent);
-					} else {
-						// remove mol change event listener					
-						marvinSketcherInstance.off("molchange", handleMolChangeEvent);
-					}
-				};
-
-				// when the checkbox is checked in/out by the user
-				$("#molChangeCheckbox").change(function () {
-					setMolChangeListener(this.checked);
-				});
-				// activate the listener at startup if its checkbox is selected
-				if($("#molChangeCheckbox").prop('checked')) {
-					setMolChangeListener(true);
-				}
-				
-				// when reset button is submitted by the user
-				$("#resetMolChangeCounterButton").on("click", function() {
-					molChangeCounter = 0;
-					$("#molChangeCounterDisplay").text(molChangeCounter);
-				});
-
-			}, function () {
-				alert("Cannot retrieve sketcher instance from iframe");
-			});
-		});
-
-
    - - - diff --git a/public/marvinjs/examples/example-setmol.html b/public/marvinjs/examples/example-setmol.html deleted file mode 100644 index d1de05fe0..000000000 --- a/public/marvinjs/examples/example-setmol.html +++ /dev/null @@ -1,192 +0,0 @@ - - - - - Marvin JS Example - Set a Molecule - - - - - - - - - -

    Marvin JS Example - Set a Molecule

    - -
    -
      -
      • -
    -
    - -
    -
    -
    -

    To be able to embed the Marvin JS editor into a web page, you need one of the following HTML files: -

      -
    • editor.html - the pure editor
      • -
    • editorws.html - the editor extended with default webservices
      • -
    - -

    These HTML files are responsible for loading all resources that the editor component requires.

    - -

    First of all, create an iframe that loads the proper HTML file. - (In this example, the editorws.html file is preferred to be able to use extra functionalities that webservices provide.) - The editor component fills the iframe. As you resize the iframe, the editor follows the changing of the - iframe width and height. In this example, the iframe size is determined by its CSS class, - which is defined in docs.css: sketcher-frame

    - - 
    -			<div class="resizable">
-	<iframe src="../editorws.html" id="sketch" class="sketcher-frame"></iframe>
-</div>
-
    - -

    The host page is where the iframe is inserted.

    - -

    The loading of the editor is not synchronized with the loading of the hosted page. The sketcher object is instantiated inside the iframe. Thus, there is no guaranty that the sketcher is already available - when the loading of the hosted page is finished.

    -

    If you would like to access the sketcher object, use the MarvinJSUtil.getEditor(iframeID) helper function from the js/marvinjslauncher.js. -

    To use it, please include the following script in the header of the HTML document where you would like to use. - 

    <script src="../gui/lib/promise-1.0.0.min.js"></script>
-	<script src="../js/marvinjslauncher.js"></script>
    -

    -

    Below, you can see its usage. - Call MarvinJSUtil.getEditor with the ID of the iframe that contains the editor. It returns with a promise. - After then, call the then method of the promise object. Here, you can specify which code should be evaluated when loading of the sketcher is successful and which one when it fails.

    - 
    
-		MarvinJSUtil.getEditor("#sketch").then(function(sketcherInstance) {
-			// code performed when the sketcher loaded successful (sketcherInstance is a reference to the editor object)
-		}, function() {
-			// code performed when the sketcher loading failed
-		});
    -

    The fail branch can be evaluated in the following cases:

    -
      -
    • Unable to get iframe with the given ID.
      • -
    • Unable to find sketcherInstance in iframe with the given ID.
      • -
    • Unable to find marvin package
      • -
    • Unable to retrieve sketcher instance.
      • -
    -

    Please, take care that in certain case the browser can reject accessing of the sketcher despite it is loaded into the iframe. It happens when the JavaScript request violates the security concept of the browser - (same origin policy).

    See the Troubleshoot section of the documentation for more details. - -

    In this example, when sketcher is loaded, the initial molecule is setup by calling the importStructure function, and the initControls() function is performed. It binds even handlers - for the checkboxes above the editor (CPK coloring and Carbon label visibility).

    - - 
    var marvinSketcherInstance;
-
-$(document).ready(function handleDocumentReady (e) {
-	var p = MarvinJSUtil.getEditor("#sketch");
-	p.then(function (sketcherInstance) {
-		marvinSketcherInstance = sketcherInstance;
-		marvinSketcherInstance.importStructure("mol", s).catch(function(error) {
-			alert(error);
-		});
-		initControls();
-	}, function (error) {
-		alert("Cannot retrieve sketcher instance from iframe:"+error);
-	});
-});
-
-function initControls () {
-
-	// Reset mol button
-	$("#btn-setmol").on("click", function (e) {
-		marvinSketcherInstance.importStructure("mol", s);
-	});
-}
-
-var s = "\n\n\n"+
-	" 14 15  0  0  0  0  0  0  0  0999 V2000\n"+
-	"    0.5089    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    1.2234    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    1.2234    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"   -0.2055    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"   -0.9200    7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    0.5089    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"   -0.2055    7.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    0.5089    6.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"   -0.9200    6.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    0.5089    8.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    2.4929    7.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    2.0080    7.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    2.0080    6.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"    2.2630    8.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n"+
-	"  1  7  1  0  0  0  0\n"+
-	"  8  2  1  0  0  0  0\n"+
-	"  1  3  1  0  0  0  0\n"+
-	"  2  3  2  0  0  0  0\n"+
-	"  7  4  1  0  0  0  0\n"+
-	"  4  8  1  0  0  0  0\n"+
-	"  4  9  2  0  0  0  0\n"+
-	"  7  5  1  0  0  0  0\n"+
-	"  8  6  1  0  0  0  0\n"+
-	"  1 10  2  0  0  0  0\n"+
-	"  3 12  1  0  0  0  0\n"+
-	"  2 13  1  0  0  0  0\n"+
-	" 13 11  2  0  0  0  0\n"+
-	" 12 11  1  0  0  0  0\n"+
-	" 12 14  1  0  0  0  0\n"+
-	"M  END\n";
-
    -
    - - - diff --git a/public/marvinjs/examples/example-templates-default.html b/public/marvinjs/examples/example-templates-default.html deleted file mode 100644 index 000f156e2..000000000 --- a/public/marvinjs/examples/example-templates-default.html +++ /dev/null @@ -1,28 +0,0 @@ - - - - - Marvin JS Example - Load Custom Templates (in JSON format) - - - - - - -

    Marvin JS Example - Load Custom Templates (in JSON format)

    - -
    - -
    -
    -

    In this example, custom templates are loaded. These templates are stored in templates/default_templates_with_naphtalane.json (URL is relative to the directory of Marvin JS package). - To display them on custom template toolbar, define the location of their source file in the data-templateurl attribute of the iframe tag of the editor.

    - 
    <div class="resizable">
-	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-templateurl="templates/default_templates_with_naphtalane.json"></iframe>
-</div>
-
    -

    You can generate your own templates file via the following form: Create template

    -
    - - - diff --git a/public/marvinjs/examples/example-templates.html b/public/marvinjs/examples/example-templates.html deleted file mode 100644 index 979cd756b..000000000 --- a/public/marvinjs/examples/example-templates.html +++ /dev/null @@ -1,28 +0,0 @@ - - - - - Marvin JS Example - Load Custom Templates - - - - - - -

    Marvin JS Example - Load Custom Templates

    - -
    - -
    -
    -

    In this example, custom templates are loaded. These templates are stored in templates/mytemplates.mrv (URL is relative to the directory of Marvin JS package). - It is an MRV file that contains several molecule structures. - They will appear on custom templates toolbar if location of their source file is defined in the data-templateurl attribute of the iframe tag of the editor.

    - 
    <div class="resizable">
-	<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-templateurl="templates/mytemplates.mrv"></iframe>
-</div>
-
    -
    - - - diff --git a/public/marvinjs/examples/example-templates_with_displaysettings.html b/public/marvinjs/examples/example-templates_with_displaysettings.html deleted file mode 100644 index 910afe642..000000000 --- a/public/marvinjs/examples/example-templates_with_displaysettings.html +++ /dev/null @@ -1,98 +0,0 @@ - - - - - Marvin JS Example - Overwrite custom templates toolbar - - - - - - - - - -

    Marvin JS Example - Overwrite custom templates toolbar

    - -
    -
    - - -
    -
    - -
    -
    -
    -

    In this example, you can change the content of the custom template toolbar without reloading of the editor. - To do this, type the URL of a template source file into the given input field and submit the Update Templates button.

    -

    When you take a look at the source code, you can see that a listener function is bind to the submit button. - (URLs are relative to the root directory of Marvin JS package.) - When the click event is invoked, the updateToolbars(value) function is performed unless the input field is empty. - This function creates a JavaScript object that contains a templateurl property . To update toolbar pass this object to the setDisplaySettings(settings) function of the sketcher.

    - 

    
-		var marvinSketcherInstance;
-
-		$(document).ready(function handleDocumentReady (e) {
-			// after editor in the sketch iframe is ready store its reference 
-			// and activate controls
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				initControls();
-			},function (error) {
-				alert("Cannot retrieve sketcher instance from iframe:"+error);
-			});
-		});
-
-		function initControls () {
-			// overwrite custom templates toolbar
-			$("#updateCustomTemplates").on("click", function(e) {
-				var s = $("#templateurl").val();
-				if(typeof s != "undefined" && s.length > 0) {
-					updateCustomToolbar(s);	
-				}
-			});
-		}
-
-		function updateCustomToolbar(url) {
-			var settings = {
-					"templateurl": url
-			};
-			marvinSketcherInstance.setDisplaySettings(settings);
-		}

    -
    - - - diff --git a/public/marvinjs/examples/example-toolbars.html b/public/marvinjs/examples/example-toolbars.html deleted file mode 100644 index b0b0b7d0a..000000000 --- a/public/marvinjs/examples/example-toolbars.html +++ /dev/null @@ -1,84 +0,0 @@ - - - - - Marvin JS Example - Toolbars - - - - - - - - - -

    Marvin JS Example - Toolbars

    - -
    -
    - Standard - Education - Reaction - Markush - Search - Basic Search - Reporting - View 3D -
    -
    - -
    -
    - -
    -

    In this example, the sketcher is initalized with the standard toolbars.

    -

    This layout setting is defined in the data-toolbars attribute of the iframe, which loads the editor.

    - 
    <div class="resizable">
-<iframe src="../editorws.html" id="sketch" class="sketcher-frame" data-toolbars="standard"></iframe>
-</div>
    -

    Further presets are enumerated above the sketcher. To switch another layout, select its radio button. - It triggers the reload of the iframe with the new setting. - If you select the Markush layout, the editor will be reloaded with the Markush layout.

    -

    When you take a look at the source code, you can see that a listener function is bind to the change events of radio buttons. - When a change event is invoked, the value of data-toolbars attribute of the iframe tag is overwritten - with the selected value and the reload of the iframe is triggered.

    - 

    
-		$(document).ready(function handleDocumentReady (e) {
-			initControls();
-		});
-
-		function initControls () {
-			// bind event listener to all radio buttons from layout-group
-			$("input[name='layout-group']").change(function(e) {
-				var s = $(this).val();
-				reload(s);
-			});
-		}
-		
-		function reload(layout) {
-			$("#sketch").attr("data-toolbars", layout);
-			$("#sketch")[0].contentWindow.location.reload(true);
-		}
    -

    -
    - - - diff --git a/public/marvinjs/examples/example-toolbars_with_displaysettings.html b/public/marvinjs/examples/example-toolbars_with_displaysettings.html deleted file mode 100644 index eaba42781..000000000 --- a/public/marvinjs/examples/example-toolbars_with_displaysettings.html +++ /dev/null @@ -1,98 +0,0 @@ - - - - - Marvin JS Example - Toolbars with display settings - - - - - - - - - -

    Marvin JS Example - Toolbars with display settings

    - -
    -
    - Standard - Education - Reaction - Markush - Search - Basic Search - Reporting - View 3D -
    -
    - -
    -
    -
    -

    In this example, you can change layout without reloading of the editor. - Select the desired layout to rerender editor toolbars.

    -

    When you take a look at the source code, you can see that a listener function is bind to the change events of radio buttons. - When a change event is invoked, the updateToolbars(value) function is performed. - This function assembles a JavaScript object that describes display settings and call the setDisplaySettings(settings) function of the sketcher. - Only give settings that you would like to overwrite. In this case, this is the toolbars property.

    - 

    
-		var marvinSketcherInstance;
-
-		$(document).ready(function handleDocumentReady (e) {
-			// after editor in the sketch iframe is ready store its reference 
-			// and activate controls
-			MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
-				marvinSketcherInstance = sketcherInstance;
-				initControls();
-			},function (error) {
-				alert("Cannot retrieve sketcher instance from iframe:"+error);
-			});
-		});
-
-		function initControls () {
-			// change layout
-			$("input[name='layout-group']").change(function(e) {
-				var s = $(this).val();
-				updateToolbars(s);
-			});
-		}
-
-		function updateToolbars(layout) {
-			marvinSketcherInstance.setDisplaySettings({
-				"toolbars": layout
-			});
-		}

    -
    - - - diff --git a/public/marvinjs/examples/form/echo.php b/public/marvinjs/examples/form/echo.php deleted file mode 100644 index 45a21d5a1..000000000 --- a/public/marvinjs/examples/form/echo.php +++ /dev/null @@ -1,12 +0,0 @@ - - - - - -

    mrv field of the posted form

    - - -

    No posted form with mrv field

    - - - \ No newline at end of file diff --git a/public/marvinjs/examples/form/example-submit-form.html b/public/marvinjs/examples/form/example-submit-form.html deleted file mode 100644 index 5689f2a59..000000000 --- a/public/marvinjs/examples/form/example-submit-form.html +++ /dev/null @@ -1,51 +0,0 @@ - - - - - Marvin JS Example - Get SVG - - - - - - - - - -

    Marvin JS Example - Submit a form

    - -
    - -
    -
    - - -
    - - - \ No newline at end of file diff --git a/public/marvinjs/examples/images/custom-icon.png b/public/marvinjs/examples/images/custom-icon.png deleted file mode 100644 index 399237e95a00fe2ef8ac33ba04b396b938af3acf..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 918 zcmV;H18Mw;P)Px#1ZP1_K>z@;j|==^1poj532;bRa{vGi!vFvd!vV){sAK>D11m{HK~zXf?Nn(< z6;T*Hg)Nx2Xtt^)8HD7L6xpg)R`$%-Q_G6>Xv#K2!m`y~WmsV=K~WKHP|!j~CKa~t z5%nV~BFiXj!3-2C@67GodDH$B?MFYN1BZ`u=KJn9_kME+|MA!0`MRHMRNh-!vX(e3 zy>P;qi2}V4=S3;5h|jpg_&_hPGQL713bKWPTv3JP#Tj&3kPXOsR`ekiv`(i+$&Tle zrT-;1xs@PW-HVsL4+qO;Pub*Uw3`N@nf}NSZ?K4Oo>i7^xz$1YkpUM+$aXh|t3|(h zzo9--ix*=i7oVpWSssw1ufYaUfo=LKQ}3rfqE{f_(k^I0XHsOqg%LH*zz<_S6=5nH zq{)%Wu-Ro z#`{fJB0gZX?lg5C^$zO2y3?$3q1t2l5n-@#ut{tXEj^Txn3&j3EvlkBT~|aRhLmmL90xVjzSorvp*GseMg1Rz0rB9(EnF#(#miF7{CWL{Q9rmMVmXiY{U;PMQFidX2)Mf#Eh z$zh~}979ebHGXvyi$}Z4>ISuwPQBmo@63qej8W% spF#aSTaul~u4K3sl~%r***_293oD$BxPH&95dZ)H07*qoM6N<$g4t`Z%K!iX diff --git a/public/marvinjs/examples/images/qr.png b/public/marvinjs/examples/images/qr.png deleted file mode 100644 index 78b193f975112e17ce791d247aa1975853bc4076..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 630 zcmV-+0*U>JP)Px#1ZP1_K>z@;j|==^1poj532;bRa{vGi!vFvd!vV){sAK>D0t-n*K~zXf-H<_R z6Hyd}XK*r6614?gC@6(4gc8IqtduUYXg6K7#A=CR1O;oVm`b&vPC-GW?ZP)xH6)D- ztxH{n{sMnNaG9UrZ^)v@oXNdKLfSX$9yq-F?mgdqnK;K&HK&%Vy7iWEqs~V+MC5)# z-EH8TyBnJ|dz>-DEE&P=iqiGgv(yU|y%KJEi~F~|yLjY1`TH{U>Nm}ry#=orXP6}; zxLqGI+nuG8D_A|Xj`x`m8=22A*{`T(f5c|Z9%sxjOGa?J-VTMRoLNV^-Tsoq%#sn@ zuGi-bXu^d;0czfx&F0Vkp5_I&YwdyotqGTSE_4aeDq9va^dgd#8-yPGw!ibe*W-+tZkCMT$4ZX#50QRvCs07*qoM6N<$g4sAK8UO$Q diff --git a/public/marvinjs/examples/images/search.png b/public/marvinjs/examples/images/search.png deleted file mode 100644 index 02441484df2990247761d8612f5eea915257ed8f..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 1125 zcmV-r1e*JaP)Px#1ZP1_K>z@;j|==^1poj532;bRa{vGi!vFvd!vV){sAK>D1NuosK~zXfy;N;X zn^hD(>wu-xWp2wv=eIL%OD1m4ZHYg0%*6QZ_^?@E1klzWO4u^!8W!xEEzktczJderP&AT-cm(HT)11K};Npv_RMp+h7Ylo^yBG&;m9{qQ)0;tz1n=XRW ziFdM8`|+E~VR%!zC68Snf@vwjrEI0`WT4@3xL3L+hh(B(Xs2@ES?QV_%v#vL!d@3z ziY(F8=8SI?0F`u24hXQqatNMFGwr#$6e$}geTNZhTGQb!>6ScpR)Sf76yD}}<6d~Q ztPBoP)fk>X4oaQ@KH%#57+_V?23WIE*?8Xh5^NQY$>JfS`csZlUGwy1odL9GUW4sS z#-!)AL;Ba>HI{!rHvIG0%*^~eB8EbL2j}MIu0$e{_vv%Bq*)$kUxX*qY)AZw&$6bu z8Nc{#gg6kVrlzpFyBpnZH+FP%;K<1B^>8@+3kmI%RLjG$74F}xtZYcNS57hcs-`Bq z>Kj9f6kA$aFgG_Bv$C?{%xE;?`1m-B+$50ua7DvggH4mg23f+k#htyoiCg} z_aLk%ZWZO`8Yen>i{9Q|k#I>DkE~;GWT^U_xE$feJd&Barz+aRXOT{(HuPEc1M_SVIn;qj}VDsbaWJpii*Tu zadELIXS&rT+DehM@vy%IJMK1Z^MKPa&m!Cd+*}0(1u>C|iVAF|=CfEVsL^O*>zu3h z_I4pmB45$4R?;p8{~9U}!vXyTO4t6#gdW|%*)FY&1JP(acF1=eLf$SmX^jus;jHTO~`LZ(%cy&vW>4z z4k9lLL2JK~{lPuL#QaoVub0 - - - - Marvin JS - Examples - - - -

    Marvin JS Examples

    - -

    Sketch

    -

    The pure editor

    -

    The editor extended with default webservices - -

    Import / export structures

    - - -

    Customization

    - - -

    Further examples

    - - -

    ImageExport

    - - - diff --git a/public/marvinjs/examples/jqueryui/dialog.html b/public/marvinjs/examples/jqueryui/dialog.html deleted file mode 100644 index 2ab1eb4c4..000000000 --- a/public/marvinjs/examples/jqueryui/dialog.html +++ /dev/null @@ -1,74 +0,0 @@ - - - - - Marvin JS Editor in jQuery UI Dialog - - - - - - - - - - - - - -
    - -
    - - - - - diff --git a/public/marvinjs/examples/properties/example-set-properties.html b/public/marvinjs/examples/properties/example-set-properties.html deleted file mode 100644 index bc63ebe05..000000000 --- a/public/marvinjs/examples/properties/example-set-properties.html +++ /dev/null @@ -1,298 +0,0 @@ - - - - - Marvin JS Example - Molecule property - - - - - - - - - -

    Marvin JS Example - Molecule property

    - - -
    - -
    - -
      - -

    • Properties (key=value)

      • -
    • - - -
      • -

    • Feadback:

      • -
    -
    -

    This example demonstrates how to insert molecule properties into MRV source.

    -

    Marvin JS can parse molecule properties if they has been bound to the scaffold: - 

    		<cml>
-		  <MDocument>
-		  	<MChemicalStruct>
-		  	  <molecule molID="m1">
-		  	  	<propertyList>
-		  	  		<property dictRef="my property" title="my property" >
-		  	  			<scalar>value of my property</scalar>
-		  	  		</property>
-		  	  	<propertyList>
-		  	  	<atomArray> ... </atomArray>
-		  	  	<bondArray> ... </bondArray>
-		  	    ...
-		  	  </molecule>
-		  	</MChemicalStruct>
-		  </MDocument>
-		</cml>  
-
    - At single step reaction the canvas content is separated to identical reaction compounds. In this case, molecule properties - does not supported.

    -

    About the example: Draw something and submit the Get properties button. It retrieves the canvas content. The MRV source appears - in the Feadback box. If the scaffold contained molecule properties, they also appears in the Properties box.

    -

    Setup properties: Type key-value pairs (separated by "=" sign) into the Properties box. Each line represents a property (key-value pair). - Pressing the Set properties button trigger a request to retrieve the canvas content (as MRV). - When the mrv export is finished, the content of the Properties box is evaluated. Insert defined molecule properties into - the given MRV source then update the editor with the modified MRV. In the Feadback box, the modified MRV also appears.

    -
    - - - diff --git a/public/marvinjs/examples/properties/xmlindent.js b/public/marvinjs/examples/properties/xmlindent.js deleted file mode 100644 index d3d635fb6..000000000 --- a/public/marvinjs/examples/properties/xmlindent.js +++ /dev/null @@ -1,55 +0,0 @@ -/** -* @author Tamas Vertse -* @Copyright 1998-2017 ChemAxon Ltd. -*/ -(function() { - - var open = /^\s*<\w+/; - var close = /(\/|<\/\w+)\s*>\s*$/; - - function xmlindent(xml) { - var lines = tokenize(xml); - var n = lines.length; - var indent = 0; - var result = ""; - for(var i = 0; i < n; i++) { - var line = lines[i]; - var diff = 0; - if(open.test(line)) { - diff += 1; - } - if(close.test(line)) { - diff -= 1; - } - if(diff == -1) { - result += leftIndent(--indent, line); - } else { - result += leftIndent(indent, line); - indent += diff; - } - } - return result; - } - - function tokenize(xml) { - var reg = /[^\]]><[^\!]/; - var end = xml.search(reg)+2; - var s = xml; - var tokens = new Array(); - while(end > 1) { - var next = s.slice(0, end); - tokens.push(next); - s = s.substring(end); - end = s.search(reg)+2; - } - tokens.push(s); - return tokens; - } - - function leftIndent(n, s) { - var result = s + '\n'; - return (n > 0)? ' '.repeat(n*2)+result : result; - } - - window.xmlindent = xmlindent; -})(); \ No newline at end of file diff --git a/public/marvinjs/examples/query/substructuresearch.html b/public/marvinjs/examples/query/substructuresearch.html deleted file mode 100644 index 0b332616c..000000000 --- a/public/marvinjs/examples/query/substructuresearch.html +++ /dev/null @@ -1,138 +0,0 @@ - - - - -Marvin JS Substructure Search - - - - - - - - - - - -

    Marvin JS Substructure Search

    -

    Draw a query and perform a substructure search with JChem Webservices on an example data base, the target hints will be displayed on the bottom of the page. -Please, take care that Complex Query Search Webservice with valid license is required for this example.

    -

    - -
    - -
    - - -
    -
    - - diff --git a/public/marvinjs/examples/textbox/textbox.html b/public/marvinjs/examples/textbox/textbox.html deleted file mode 100644 index 64d63a463..000000000 --- a/public/marvinjs/examples/textbox/textbox.html +++ /dev/null @@ -1,41 +0,0 @@ - - - - - Marvin JS - - - - - -
    -

    -

    - - -

    -
    - - \ No newline at end of file diff --git a/public/marvinjs/gui/5C5DC5E8F823390618266388A9FBC038.cache.js b/public/marvinjs/gui/5C5DC5E8F823390618266388A9FBC038.cache.js deleted file mode 100644 index 67cf688b4..000000000 --- a/public/marvinjs/gui/5C5DC5E8F823390618266388A9FBC038.cache.js +++ /dev/null @@ -1,7878 +0,0 @@ -var $wnd = $wnd || window.parent;var __gwtModuleFunction = $wnd.gui;var $sendStats = __gwtModuleFunction.__sendStats;$sendStats('moduleStartup', 'moduleEvalStart');var $gwt_version = "2.8.2";var $strongName = '5C5DC5E8F823390618266388A9FBC038';var $gwt = {};var $doc = $wnd.document;var $moduleName, $moduleBase;function __gwtStartLoadingFragment(frag) {var fragFile = 'deferredjs/' + $strongName + '/' + frag + '.cache.js';return __gwtModuleFunction.__startLoadingFragment(fragFile);}function __gwtInstallCode(code) {return __gwtModuleFunction.__installRunAsyncCode(code);}function __gwt_isKnownPropertyValue(propName, propValue) {return 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b5b(a,b){var c,d,e;e=a.c.a;for(d=new qsd(b.b.Qb());d.b.Rc();){c=d.b.Sc();if(Ex(c,E5b(e))&&c!=e){c.Ze(dsd(e.r),dsd(e.s));c.Ye((Xrd(),Xrd(),Urd));c.$e(dsd(e.u));c.Ee(a.c)}}} -function hpd(a,b){this.e=a;if(O8c(K8c(b,-4294967296),0)){this.d=1;this.a=vuc(quc(uvc,1),jyd,23,15,[d9c(b)])}else{this.d=2;this.a=vuc(quc(uvc,1),jyd,23,15,[d9c(b),d9c($8c(b,32))])}} -function Cpd(a){var b,c,d;if(L8c(a,0)>=0){c=N8c(a,_Kd);d=U8c(a,_Kd)}else{b=_8c(a,1);c=N8c(b,500000000);d=U8c(b,500000000);d=J8c(Z8c(d,1),K8c(a,1))}return Y8c(Z8c(d,32),K8c(c,SLd))} -function F1(){C1();var a,b,c,d,e;if(A1==null){e=new es;for(b=J1(),c=0,d=b.length;c\'"]');K9c=new RegExp('&','g');L9c=new RegExp('>','g');N9c=new RegExp('<','g');P9c=new RegExp("'",'g');O9c=new RegExp('"','g')} -function god(a,b){Cnd();var c,d,e,f;f=new bvd(a);for(d=0,e=b.length;d0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0))){c=J7b(new N7b(false),a);B$b(b,tD(Uac(Zac(c.d))));B$b(b,tD(Uac(Zac(c.c))))}return b.a} -function CV(a,b,c,d,e,f){var g,h,j;h=new 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rhd;if(a.c!=(Kbc(),Gbc)){for(b=1;b<119;++b){hhd(f,(i1b(),b>0&&b<=126?h1b[b-1].c:null))}hhd(f,(v1b(),t1b).b);hhd(f,u1b.b)}if(a.c!=Cbc){for(c=(i1b(),vuc(quc(uvc,1),jyd,23,15,[119,120,121,122,123,124,125,126])),d=0,e=c.length;d0&&b<=126?h1b[b-1].c:null)}}return f} -function D5b(a,b){var c,d,e,f,g,h,j,l,m;e=new es;m=new es;for(l=new qsd(dsd(a.s).b.Qb());l.b.Rc();){j=l.b.Sc();Wr(m,B2b(j,b))}for(d=new qsd(dsd(a.r).b.Qb());d.b.Rc();){c=d.b.Sc();Wr(e,c.El(b))}h=new es;for(g=new qsd(dsd(a.f).b.Qb());g.b.Rc();){f=g.b.Sc();Wr(h,f.El(b))}return new R5b(e,h,m,T1(a,(O$b(),M$b)),new b6b(a))} -function Frc(a,b,c,d,e){if(d<0){d=urc(a,e,vuc(quc(g6c,1),eyd,2,6,[yKd,zKd,AKd,BKd,CKd,DKd,EKd,FKd,GKd,HKd,IKd,JKd]),b);d<0&&(d=urc(a,e,vuc(quc(g6c,1),eyd,2,6,['Jan','Feb','Mar','Apr',CKd,'Jun','Jul','Aug','Sep','Oct','Nov','Dec']),b));if(d<0){return false}c.n=d;return true}else if(d>0){c.n=d-1;return true}return false} -function lb(a,b,c,d,e){var f;owd(hb,(Uvd(),Svd))&&lwd(hb,'Checking valence for the 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false}if(Object.getOwnPropertyNames(b).length==0){return false}return true} -function KF(a,b){var c,d,e,f;if(jad(a.a,a.b)||jad(a.b,a.c)||jad(a.a,a.c)){return false}c=(b.b-a.a.b)*(a.b.a-a.a.a)-(b.a-a.a.a)*(a.b.b-a.a.b);e=(b.b-a.c.b)*(a.a.a-a.c.a)-(b.a-a.c.a)*(a.a.b-a.c.b);d=(b.b-a.b.b)*(a.c.a-a.b.a)-(b.a-a.b.a)*(a.c.b-a.b.b);f=c*d>0&&d*e>0;f||(f=LF(a.a,a.b,b)||LF(a.c,a.b,b)||LF(a.a,a.c,b));return f} -function byb(a,b,c){vd.call(this,lob(a,Cyd));ud(this,Fyd,lob(a,Fyd));this.a=a;this.b=b;this.c=c;!b.e&&(b.e=new Cqc);tqc(b.e,(_d(),$d),b,this);!c.e&&(c.e=new Cqc);tqc(c.e,$d,c,this);!a.e&&(a.e=new Cqc);tqc(a.e,(ce(),ce(),be),a,this);!b.e&&(b.e=new Cqc);tqc(b.e,(null,be),b,this);!c.e&&(c.e=new Cqc);tqc(c.e,(null,be),c,this)} -function L6b(a,b){var c,d,e;e=new es;for(d=new 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Frd(b);d.a1){e=A9b(c);if(e.a.length==0){return null}g=(Xrd(),asd(e,new Hsd(new P9b)))+(b?jBd:0)}h=new qad(d*$wnd.Math.cos(g),d*$wnd.Math.sin(g));return new qad(h.a+a.a,h.b+a.b)} -function Gpd(a,b){var c,d,e,f,g;d=K8c(b,SLd);if(L8c(a,0)>=0){f=N8c(a,d);g=U8c(a,d)}else{c=_8c(a,1);e=b>>>1;f=N8c(c,e);g=U8c(c,e);g=J8c(Z8c(g,1),K8c(a,1));if((b&1)!=0){if(L8c(f,g)<=0){g=a9c(g,f)}else{if(T8c(a9c(f,g),d)){g=J8c(g,a9c(d,f));f=a9c(f,1)}else{g=J8c(g,a9c(Z8c(d,1),f));f=a9c(f,2)}}}}return Y8c(Z8c(g,32),K8c(f,SLd))} -function zY(a){var b,c,d,e,f;if(!a.p||a.p.a==null){return new ibc(GX(a,a.n),0,0)}b=FX(a,a.p.a,(HU(),GU).b,(z0(),y0));c=VQ(a.p.a,b.a);d=kH(EY(a),(!a.f&&(a.f=tac(a.j.e,a.c.Lh(),DY(a)*(a.w.a==(s6b(),r6b)||a.w.a==l6b||a.w.a==p6b?0.8:1))),a.f));d=new qad(d.a/2,d.b/2);e=d.a-b.c/2;f=d.b-b.a/2-c;return new ibc(new qad(e,f),b.c,b.a)} -function s6b(){s6b=p9c;m6b=new t6b(tyd,0,2);h6b=new t6b(uyd,1,4);q6b=new t6b(vyd,2,6);f6b=new t6b(wyd,3,3);r6b=new t6b('UP',4,2);l6b=new t6b(bDd,5,2);p6b=new t6b(cDd,6,2);i6b=new t6b(dDd,7,4);j6b=new t6b(eDd,8,4);o6b=new t6b(xyd,9,-1);n6b=new t6b(yyd,10,-1);k6b=new t6b(zyd,11,-1);e6b=new t6b(syd,12,-1);g6b=new t6b(Ayd,13,0)} -function khb(a,b){var c,d,e,f,g,h,j;if(n4b(b)){c=dsd(b.r).a.zd(0);d=(e=Eqd(a.e,c),!e&&!!a.j?Dhb(a.j,c):e);tld(d.a,xEd)!=null||eld(d,xEd,'0');j=Und(T1(b,(O$b(),N$b)),'-',0)[1];eld(d,gEd,j);f=c.Ml().Qb();g=Dhb(a,E2b(f.Sc(),c));h=Dhb(a,E2b(f.Sc(),c));eld(d,'mrvLinkNodeOut',tld(g.a,WDd)+','+tld(h.a,WDd));return true}return false} -function Vsc(a,b){var c,d,e,f;if(isNaN(b)){return 'NaN'}d=b<0||b==0&&1/b<0;d&&(b=-b);c=new yod;if(!isNaN(b)&&!isFinite(b)){nod(c,d?a.r:a.u);c.a+=WAd;nod(c,d?a.s:a.v);return c.a}b*=a.q;f=jtc(c,b);e=c.a.length+f+a.j+3;if(e>0&&e0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0));h=dsd(a.n).b.vd()>0&&!dsd(a.v).a.sd()&&!dsd(a.o).a.sd();if(_j(b,(kA(),hA))){for(d=F1(),e=0,f=d.length;e>19!=0){return '-'+Yuc(Quc(a))}c=a;d='';while(!(c.l==0&&c.m==0&&c.h==0)){e=yuc(_Kd);c=Buc(c,e,true);b=''+Xuc(xuc);if(!(c.l==0&&c.m==0&&c.h==0)){f=9-b.length;for(;f>0;f--){b='0'+b}}d=b+d}return d} -function Obb(a,b){var c,d,e;if(b.Fj(pEd)){e=new I3b(Xmd(b.Cj(pEd),10));Mbb(e,b)}else if(b.Fj(vEd)){d=b.Cj(vEd);if(b.Fj(wEd)){if(Hnd('2',d)){e=(c=new z2b((WZb(),sYb),(E0b(),C0b)),c)}else if(Hnd('3',d)){e=(c=new z2b((WZb(),sYb),(E0b(),D0b)),c)}else{throw I8c(new and)}}else{e=jUb(a);e.pm(Xmd(d,10))}}else{e=jUb(a)}Mbb(e,b);return e} -function afb(a,b){var c,d,e,f,g,h,j;if(Hnd(VDd,b.Uo())){if(qtd(a.b,b)){return true}if(_eb(b,iFd,null)){e=(h=kld(b.So(),hFd),h?Dld(h.a):null);c=(g=kld(b.So(),NEd),g?Dld(g.a):null);j=new is;d=Zeb(a,b,e,c,j);f=d?Yeb(d):Yeb(b.Vo());if(f!=null){Wr(j,(new icb(b)).a);Fqd(a.a,f)==null&&Iqd(a.a,f,j);ptd(a.b,b);return true}}}return false} -function Hib(a,b,c){var d,e,f,g,h,j,l,m;if(c.d.c+c.e.b!=0){h=_kd(a.a,a.b,cFd);for(f=new Vqd((new Sqd(c)).a);f.b;){e=Uqd(f);g=e.yp();j=e.Ok();d=(l=_kd(a.a,a.b,'property'),eld(l,'dictRef',g),bhb(l,azd,j.b),m=_kd(a.a,a.b,_Ed),bhb(m,aFd,j.a),Lkd(m,vgb(a,j.c)),Lkd(l,m),l);Lkd(h,d)}Ild(b.a)?Mkd(b,h,ild(new jld(vld(b.a)),0)):Lkd(b,h)}} -function Eyb(a){var b,c,d,e;e=Tf(a.f);b=Sf(a.f);if(!!a.d&&Syb(a.d)){c=Qyb(a.d);if(a.d.n==(Kbc(),Jbc)||a.d.n==Ibc||a.e==a.d.n&&!Cqd(c,(kcc(),jcc))){yQ(a.i.f,new rB(a.i.i,a.b,c));rm(a.f,false);a.i.i.w.Hf();return}else{d=Gyb(a.d.n,c);yQ(a.i.f,new QA(a.i.i,d,a.b,c));rm(a.f,false);a.i.i.w.Hf();return}}wic((pic(),oic),new Iyb(a,e,b))} -function us(a){var b,c,d;if(a==null||typeof a!=Zxd||a instanceof Boolean||a instanceof Date||a instanceof Number||a instanceof String||a instanceof RegExp){return a}if(a instanceof Array){b=[]}else if(a instanceof Object){b={}}else{return a}for(d in a){a.hasOwnProperty(d)&&(typeof a[d]===Zxd?(b[d]=us(a[d])):(b[d]=a[d]))}return b} -function lKb(a,b){bcb(b,jJd,new gob('Rectangle selection',(Ptb(),ysb),a.b,a.d));bcb(b,kJd,new 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d,e,f,g,h,j,l,m,n,o;m=a;n=0;o=0;for(h=nW(b,(lac(),eac)).Qb();h.Rc();){f=h.Sc();l=a.b;if(fbc(f.a,a)){e=f.a.b.b-a.a-c-l.b;o+=e}}for(j=nW(b,gac).Qb();j.Rc();){f=j.Sc();m=gbc(m,new qad(n,o));l=m.b;if(fbc(f.a,m)){d=f.a.b.a-m.c-c-l.a;n+=d}}for(g=nW(b,kac).Qb();g.Rc();){f=g.Sc();m=gbc(m,new qad(n,o));l=m.b;if(fbc(f.a,m)){d=f.a.b.a-m.c-c-l.a;n+=d}}return new qad(n,o)} -function Ltb(){Ltb=p9c;usb=new bl(sGd,(Z9c(),new U9c('data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCI+PHBhdGggZmlsbD0ibm9uZSIgZD0iTTAgMGgyNHYyNEgweiIgZGF0YS1uYW1lPSJUcmltIEFyZWEiLz48cGF0aCBkPSJNMjAgOS41bC0yLTYtMS4xOCAxLjc3QTggOCAwIDEgMCAxMi41IDIwdi0yYTYgNiAwIDEgMSAzLjIxLTExLjA3TDE0IDkuNXoiIGZpbGw9IiM1MDUwNTAiLz48L3N2Zz4=')))} -function vKb(a,b,c,d){var e,f,g;qKb.call(this);this.b=a!=null?a:rDd;this.c=c!=null?H1(c):null;e=!b?{}:mPb(us(b));this.a=rKb(e);(DOb(),GOb(lJd in e?LOb((qmd(),e[lJd]?true:false)):(null,COb),(qmd(),false)))&&GKb(this.f,(MKb(),LKb));!!e.lonePairsVisible&&GOb(UGd in e?LOb(e[UGd]?true:false):(null,COb),false)&&GKb(this.f,(MKb(),KKb));this.d=!d?new Hkb:(f=new Hkb,g=new FKb(f),$jb(g,d),f)} -function B9(a,b){var c,d,e,f,g,h,j,l,m;g=a.f;if(g.a.length!=0){l=g.a.length;m=0;h=a.f;while(l>0){d=$wnd.Math.min(l,4);l=l-d;b.a+=LDd;nod(b,W8(d));for(e=0;e0){e.charCodeAt(0)==47&&(m=1);j=e.substr(m,l-m);qtd(V9c,j)&&(c=true)}if(c){m==0?(d.a+='<',d):(d.a+='<\/',d);qod((d.a+=''+j,d),62);nod(d,S9c(e.substr(l+1)))}else{nod((d.a+='<',d),S9c(e))}}return d.a} -function Pob(a,b,c){var d,e,f,g,h,j;d=new Cy(b);for(g=new Frd(cVb(c));g.a0){l[e]=m;break}else{h=j.index;l[e]=m.substr(0,h);m=Xnd(m,h+j[0].length,m.length);d.lastIndex=0;if(g==m){l[e]=m.substr(0,1);m=m.substr(1)}g=m;++e}}if(c==0&&a.length>0){f=l.length;while(f>0&&l[f-1]==''){--f}fb+d){return null}if(g<$wnd.Math.abs(b-d)){return null}f=(b*b-d*d+g*g)/(2*g);r=s+h*f/g;u=v+j*f/g;l=$wnd.Math.sqrt(b*b-f*f);o=-j*(l/g);q=h*(l/g);m=new qad(r+o,u+q);n=new qad(r-o,u-q);if(e==m.b>=n.b){return m}return n} -function cEb(a,b){var c,d,e,f,g,h,j,l,m;j=new Bjd;En(j,(qgd(),mgd));for(g=0,h=b.length;g1){return new Xac(d)}}return new Xac(null)} -function rqd(a,b,c){var d,e,f,g,h;for(f=0;f1){if(fFb(c.charCodeAt(0))){if(Xmd(bod(c.substr(1)),10)>=0){return c}}else if(fFb(Dnd(c,c.length-1))){if(Xmd(bod(Xnd(c,0,c.length-1)),10)>=0){return c}}b=Und(c,'-',0);if(b.length==2&&Xmd(bod(b[0]),10)>=0&&Xmd(bod(b[1]),10)>=0){return c}}if(Xmd(bod(c),10)>=0){return c}throw I8c(new bnd('wrong input:'+c))}return c} -function $tb(){$tb=p9c;Jsb=new bl('textBox',(Z9c(),new U9c('data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCI+PHBhdGggZmlsbD0ibm9uZSIgZD0iTTAgMGgyNHYyNEgweiIgZGF0YS1uYW1lPSJUcmltIEFyZWEiLz48cGF0aCBkPSJNMjAgNVY0aC01djFoMnYxNGgtMnYxaDV2LTFoLTJWNWgyem0tNSA0VjZINHYzaDFWN2gzdjExSDd2MWg1di0xaC0xVjdoM3YyaDF6IiBmaWxsPSIjNTA1MDUwIi8+PC9zdmc+')))} -function f0(a,b){var c,d,e,f,g,h;g=new es;h=iw(a,b.e);Wr(g,(V8b(),U8b)==b.b?new G$(new vT(false,13,true,gCd),h):new $$(new qad(h.b.a+h.c/2,h.b.b+h.a/2),h.c*0.5,h.a*0.5,new vT(false,13,true,gCd)));for(d=(P8b(),vuc(quc(zYc,1),nyd,155,0,[N8b,O8b,J8b,I8b,M8b,L8b,H8b,K8b])),e=0,f=d.length;e36){throw I8c(new And('radix '+b+' out of range'))}e=a.length;f=e>0&&(a.charCodeAt(0)==45||a.charCodeAt(0)==43)?1:0;for(c=f;cdyd){throw I8c(new And(MLd+a+'"'))}return g} -function Vpd(a,b,c,d,e){var f,g,h,j,l,m,n,o,q;n=suc(j6c,lyd,50,8,0,1);o=a;n[0]=b;q=Ppd(b,b,d,e);for(h=1;h<=7;h++){n[h]=Ppd(n[h-1],q,d,e)}for(g=qpd(c)-1;g>=0;g--){if((c.a[g>>5]&1<<(g&31))!=0){m=1;f=g;for(l=$wnd.Math.max(g-3,0);l<=g-1;l++){if((c.a[l>>5]&1<<(l&31))!=0){if(l>1],o,d,e);g=f}else{o=Ppd(o,o,d,e)}}return o} -function mb(a){ib();var b,c,d,e,f,g,h,j;owd(hb,(Uvd(),Rvd))&&kwd(hb,'Checking valence for the 14th group.');c=a.a;if(Y(c)==14){d=a.d;h=a.b.Xl().c;e=a.b.Nl();b=$wnd.Math.abs(e);if(b>4||h>3){return ec()}j=d+b+h;f=4-j;switch(c){case 6:case 14:case 32:return dc(f);case 50:return lb(a,j,e,h,d-a.f);default:g=a.f;return kb(e,h,j,d==0,g);}}else{throw I8c(new Yc('Calling column 14 for atom number: '+c))}} -function vcb(a){var b,c,d,e,f,g,h,j,l,m,n,o,q;l=(f=kld(a.So(),IEd),f?Dld(f.a):null);m=(g=kld(a.So(),JEd),g?Dld(g.a):null);c=(h=kld(a.So(),KEd),h?Dld(h.a):null);o=null;d=null;b=ieb(a,LEd);if(b){o=ucb(meb(b));c=(j=kld(new lld(uld(b.a)),KEd),j?Dld(j.a):null);d=(e=kld(new 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g,h,j,l,m,n,o;l=Huc(b)-Huc(a);g=Suc(b,l);j=Auc(0,0,0);while(l>=0){h=Kuc(a,g);if(h){l<22?(j.l|=1<>>1;g.m=m>>>1|(n&1)<<21;g.l=o>>>1|(m&1)<<21;--l}c&&Guc(j);if(f){if(d){xuc=Quc(a);e&&(xuc=Vuc(xuc,(cvc(),avc)))}else{xuc=Auc(a.l,a.m,a.h)}}return j} -function $jb(a,b){Zjb(a,(kA(),eA),(DOb(),'clean2dws' in b?LOb(b['clean2dws']):(null,COb)));Zjb(a,fA,'clean3dws' in b?LOb(b['clean3dws']):(null,COb));Zjb(a,hA,vFd in b?LOb(b[vFd]):(null,COb));Zjb(a,iA,wFd in b?LOb(b[wFd]):(null,COb));Zjb(a,jA,xFd in b?LOb(b[xFd]):(null,COb));Zjb(a,gA,yFd in b?LOb(b[yFd]):(null,COb));Zjb(a,dA,zFd in b?LOb(b[zFd]):(null,COb));Zjb(a,cA,AFd in b?LOb(b[AFd]):(null,COb))} -function IM(a){var b,c,d,e,f,g,h,j;for(c=new Frd(Ix(a));c.a0?le){HHb(b.Kf(),a.j,vuc(quc(T1c,1),tBd,5,0,[new qad(l,0),new qad(l,5)]));g=new p0((pR(),mR),(NT(),HT),true);b.Kf().tf(new qad(l,10),''+e9c(P8c($wnd.Math.round(j%kBd*$Bd)))+UAd,_Bd,g);h=d>0?1:-1;f=h*15;while($wnd.Math.abs(d*15)>$wnd.Math.abs(f)){HHb(b.Kf(),a.i,vuc(quc(T1c,1),tBd,5,0,[new qad(l+f,0),new qad(l+f,2.5)]));f+=h*15}l+=d*15;j+=ZBd*d}} -function lM(a,b,c,d,e){var f,g,h,j,l;j=0;l=c;while(d>0?le){HHb(b.Kf(),a.j,vuc(quc(T1c,1),tBd,5,0,[new qad(0,l),new qad(5,l)]));g=new p0((pR(),kR),(NT(),HT),true);b.Kf().tf(new qad(10,l),''+e9c(P8c($wnd.Math.round(j%kBd*$Bd)))+UAd,_Bd,g);h=d>0?1:-1;f=h*15;while($wnd.Math.abs(d*15)>$wnd.Math.abs(f)){HHb(b.Kf(),a.i,vuc(quc(T1c,1),tBd,5,0,[new qad(0,l+f),new qad(2.5,l+f)]));f+=h*15}l+=d*15;j+=ZBd*d}} -function DP(a){var b,c,d,e;c=a.b.Kl()==1?CP(lad(kH(a.b.Lh(),lad(a.b.Lh(),E2b(a.b.Jl(0),a.b).Lh())),a.b.Lh())):CP(lad(E9b(a.b),a.b.Lh()));if(!a.p||dT(a.o.i.j,a.b).dg(a.p)){return c}b=CP(lad(tac(a.b.Lh(),gw(a.o.i,a.p),LBd),a.b.Lh()));if((d=(kBd+c%kBd)%kBd,e=(kBd+b%kBd)%kBd,$wnd.Math.min($wnd.Math.abs(d-e),$wnd.Math.abs($wnd.Math.max(d,e)-($wnd.Math.min(d,e)+kBd))))<0.20943951023931953){return c}return b} -function Ped(a,b,c){var d,e,f,g;this.d=a;this.b=b;this.a=new Bgd(b.a);e=(abd(),Okc($doc));f=Lkc($doc);g=Nkc($doc);d=Mkc($doc);this.c=Mkc($doc);_f(this,e);Lic(e,lbd(f));Lic(f,lbd(g));Lic(g,lbd(d));Lic(g,lbd(this.c));d['align']=KAd;d[sFd]=LAd;d.style[ezd]=zgd(this.a)+dzd;Lic(d,lbd(Rf(this.a)));kjc(this.c,c);pg(a,this,(!cqc&&(cqc=new Ioc),cqc));pg(a,this,_pc?_pc:(_pc=new Ioc));Qed(this.b,this.d.c,this.a)} -function Db(a){var b,c,d,e,f,g,h;owd(Bb,(Uvd(),Svd))&&lwd(Bb,'Checking valence for the halogens without radical and charge.');h=-1;c=a.a;b=a.d;g=b-a.f;if(g==0){h=1-a.f}else if(g==1){h=-a.f}else if((g==3||g==5)&&Gb(a)){h=-a.f}else if(g==7){if(c==53){d=zc(a.k,a.b,9,(ld(),gd));d==7&&(h=-a.f)}if(c>9){f=(a.i||Ac(a),a.o);e=(a.i||Ac(a),a.n);f==1&&e==3&&(h=-a.f);c==53&&f==5&&e==1&&(h=-a.f)}}else{h=1-b}return h} -function tA(a){var b,c,d,e,f,g,h,j,l;Lqd(a.d);for(h=new qsd(dsd(a.c.C.v).b.Qb());h.b.Rc();){g=h.b.Sc();if(g!=a.b){f=new By;for(c=new qsd(dsd(a.a.r).b.Qb());c.b.Rc();){b=c.b.Sc();Ex(g,b)&&mx(f,b)}for(e=new qsd(dsd(a.a.s).b.Qb());e.b.Rc();){d=e.b.Sc();Ex(g,d)&&nx(f,d)}for(l=new qsd(dsd(a.a.A).b.Qb());l.b.Rc();){j=l.b.Sc();Ex(g,j)&&tx(f,j)}dsd(f.A).b.vd()+dsd(f.r).b.vd()+dsd(f.s).b.vd()!=0&&Hqd(a.d,g,f)}}} -function hC(a,b){var c,d,e,f,g;c=b.c;d=b.d;if(Cqd(a.a,c)&&Cqd(a.a,d)){e=Eqd(a.a,c);g=Eqd(a.a,d);if(Zrd(e.Ml(),g.Ml())){f=new S2b(b.o,e,g);M2b(f,F2b(b));Wr(a.c,f)}}else if(Cqd(a.a,c)){if(!oC(d,Eqd(a.a,c))&&pvc(d)!==pvc(Eqd(a.a,c))){f=new S2b(b.o,Eqd(a.a,c),d);M2b(f,F2b(b));Wr(a.c,f)}}else if(Cqd(a.a,d)){if(!oC(c,Eqd(a.a,d))&&pvc(c)!==pvc(Eqd(a.a,d))){f=new S2b(b.o,c,Eqd(a.a,d));M2b(f,F2b(b));Wr(a.c,f)}}} -function g4(a,b,c){var d,e,f,g,h,j,l;f=f4(a);if(c.length==0){j=a.e.a.get('PARENT');j!=null&&O4(b,f,Xmd(j,10))}else if(c.length>2){g=i4(b,c);l=L4(b,g);if(l){l.n=_0b(f,l.n);return null}l=_1(g);l.n=_0b(f,l.n);return l}else if(c.length==1){J4(b,Xmd(c[0],10)).Hi(f)}else if(c.length==2){d=J4(b,Xmd(c[0],10));h=J4(b,Xmd(c[1],10));e=h4(b,new Srd(vuc(quc(tWc,1),zBd,49,0,[d,h])));!!e&&(e.b=_0b(f,e.b))}return null} -function Yab(){Yab=p9c;Wab=new Zab('TOTAL_H',0,(kcc(),Xbc),'H','^H[0-9]+$');Qab=new Zab(ODd,1,Rbc,'X','^X[0-9]+$');Tab=new Zab(PDd,2,Ubc,'R','^R[0-9]+$');Rab=new Zab(NDd,3,Sbc,'h','^h[0-9]+$');Uab=new Zab(QDd,4,Vbc,'r','^r[0-9]+$');Sab=new Zab('RING_BOND',5,Tbc,'rb','^rb(\\*|[0-9]+)$');Vab=new Zab(SBd,6,Wbc,'s','^(s)(\\*|[0-9]+)$');Xab=new Zab(RBd,7,Ybc,'u','^u1$');Pab=new Zab(wyd,8,Pbc,'a','^a[0-1]$')} -function zrc(a,b,c){var d,e,f,g;if(b[0]>=a.length){c.p=0;return true}switch(a.charCodeAt(b[0])){case 43:e=1;break;case 45:e=-1;break;default:c.p=0;return true;}++b[0];f=b[0];g=xrc(a,b);if(g==0&&b[0]==f){return false}if(b[0]=49&&(h5(),g=bod(f.substr(46,3)),1==(g.length==0?0:Xmd(g,10)))&&Wr(c.a,d);return d}catch(a){a=H8c(a);if(kvc(a,469)){throw I8c(new vqd('Too short line in atom block: '+f))}else if(kvc(a,20)){e=a;throw I8c(new vqd('Parsing atom line failed ['+f+']:'+e.i))}else throw I8c(a)}} -function KJb(a,b,c){var d,e,f,g;e=(g=new qad(20*a.e.b,-(20*a.e.b)),kH(new qad(c.a*g.a,c.b*g.b),kH(new qad(a.d.a.p.Un().width/2,a.d.a.p.Un().height/2),a.c)));d=a.e.b;iKb(a.e,b);a.c=mad(iad(a.c,new qad(d,d)),new qad(a.e.b,a.e.b));if(a.e.b!=d){a.c=kH(a.c,lad(e,(f=new qad(20*a.e.b,-(20*a.e.b)),kH(new qad(c.a*f.a,c.b*f.b),kH(new qad(a.d.a.p.Un().width/2,a.d.a.p.Un().height/2),a.c)))));return true}return false} -function $K(a,b){var c,d,e,f,g,h,j;h=hx(Lu(a.o.i));if(dL(cWb(a.o.i.C),dsd(h.r))){j=new gs(cWb(a.o.i.C));Pr(j,dsd(hx(Lu(a.o.i)).r));_K(a,b,j);return}if(!VK(a,dsd(h.r))||!eL(dsd(h.r))){_K(a,b,dsd(h.r));return}if(dsd(h.r).b.vd()>1&&!dsd(h.u).a.sd()){g=cL(h);if(g){WK(a,dsd(h.u).a.zd(0),g,b);return}}e=bL(dsd(h.r),a.a);f=b.Kf();if(e){for(d=new qsd(dsd(e.u).b.Qb());d.b.Rc();){c=d.b.Sc();dT(a.o.i.j,c).rh(f,KBd)}}} -function M_(a,b,c){var d,e,f,g,h,j;h=new es;j=iw(b,c.e);Wr(h,(V8b(),U8b)==c.b?new G$(new vT(false,10*a.a,true,a.b),j):new $$(new qad(j.b.a+j.c/2,j.b.b+j.a/2),j.c*0.5,j.a*0.5,new vT(false,10*a.a,true,a.b)));for(e=(P8b(),vuc(quc(zYc,1),nyd,155,0,[N8b,O8b,J8b,I8b,M8b,L8b,H8b,K8b])),f=0,g=e.length;f3||f+d>3?ec():d==0&&f==0?dc(0):d!=0&&f==0?d!=2?dc(0):ec():f!=0?dc(3-f-d):ec():d>=-1?dc(3-c-d-f):ec()));return e}else{throw I8c(new Yc('Calling column 13 for atom'+b))}} -function c0b(a,b){var c,d,e,f,g,h,j,l,m,n;l=new es;j=new es;m=new es;for(d=new qsd(dsd(a.r).b.Qb());d.b.Rc();){c=d.b.Sc();n=c.El(b);Zr(j,n,0)!=-1||(j.a[j.a.length]=n,true)}for(h=new qsd(dsd(a.s).b.Qb());h.b.Rc();){g=h.b.Sc();n=B2b(g,b);Zr(l,n,0)!=-1||(l.a[l.a.length]=n,true)}for(f=new qsd(dsd(a.A).b.Qb());f.b.Rc();){e=f.b.Sc();n=K3b(e,b);Zr(m,n,0)!=-1||(m.a[m.a.length]=n,true)}return C$b(y$b(x$b(new F$b,j),l),m).a} -function zub(a,b){var c,d,e,f,g;Gub(a);d=Tub(b,a.d);g=a.b.i;f=hx((!g.s&&(g.s=new fx(g)),g.s.a));c=dsd(f.r).b.vd()+dsd(f.s).b.vd()+dsd(f.A).b.vd()+dsd(f.t).b.vd()+dsd(f.q).b.vd()+dsd(f.w).b.vd()+dsd(f.C).b.vd()+dsd(f.B).b.vd()+dsd(f.u).b.vd()==1&&!dsd(f.r).a.sd()?dsd(f.r).a.zd(0):null;if(d!=null){Hub(a,c,d)}else{if(c){e=dT(g.j,c);if(e){Fub(a,b,e.Jh(),c,(Nv(g)&&Uv(g),pw(g.e,c)));return}}Fub(a,b,a.b.a.p,c,(Z0b(),Y0b))}} -function Vwb(a,b){var c,d;if(!a.a&&!Sx(a.b.i.A)){d=a.b.i.A;if(Nr(d.r,dsd(b.r))&&Nr(d.s,dsd(b.s))&&Nr(d.A,dsd(b.A))&&Nr(d.t,dsd(b.t))&&Nr(d.q,dsd(b.q))&&Nr(d.w,dsd(b.w))&&Nr(d.C,dsd(b.C))&&Nr(d.u,dsd(b.u))&&Nr(d.B,dsd(b.B))){c=new Cy(d);Wx(c,b);return !(dsd(c.r).a.sd()&&dsd(c.s).a.sd()&&dsd(c.A).a.sd()&&dsd(c.t).a.sd()&&dsd(c.q).a.sd()&&dsd(c.w).a.sd()&&dsd(c.B).a.sd()&&dsd(c.u).a.sd()&&dsd(c.C).a.sd())}}return false} -function Nbb(a){var b,c,d,e;d=Sbb(a);if(d!=null){if(Hnd(d.substr(0,1),'L')){return Pbb(d.substr(1),a)}if(Hnd(d,'A')||Hnd(d,'Q')){return 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d,e,f,g,h,j,l;!!a.c&&WP(a);d=b.c.Lh();if(pP(a.b.a[0])==c){l=lad(b.c.Lh(),a.b.a[0].a.c.Lh());g=lad(b.d.Lh(),b.c.Lh());h=lad(a.b.a[0].a.d.Lh(),a.b.a[0].a.c.Lh());e=$wnd.Math.atan2(g.b,g.a);f=$wnd.Math.atan2(h.b,h.a);j=e-f}else{l=lad(b.c.Lh(),a.b.a[0].a.d.Lh());g=lad(b.d.Lh(),b.c.Lh());h=lad(a.b.a[0].a.c.Lh(),a.b.a[0].a.d.Lh());e=$wnd.Math.atan2(g.b,g.a);f=$wnd.Math.atan2(h.b,h.a);j=e-f}_P(a,d,l,j)} -function NT(){NT=p9c;DT=new OT('DEFAULT_ABSOLUTE',0,12,true);ET=new OT('DEFAULT_RELATIVE',1,12,false);JT=new OT('SMALLER_ABSOLUTE',2,8,true);KT=new OT('SMALLER_RELATIVE',3,8,false);LT=new OT('SMALL_ABSOLUTE',4,9.2,true);MT=new OT('SMALL_RELATIVE',5,9.2,false);IT=new OT('MIDDLE_RELATIVE',6,10.49,false);HT=new OT('MIDDLE_ABSOLUTE',7,10.49,true);FT=new OT('LARGE_ABSOLUTE',8,20,true);GT=new OT('LARGE_RELATIVE',9,20,false)} -function znd(){znd=p9c;var a;vnd=vuc(quc(uvc,1),jyd,23,15,[-1,-1,30,19,15,13,11,11,10,9,9,8,8,8,8,7,7,7,7,7,7,7,6,6,6,6,6,6,6,6,6,6,6,6,6,6,5]);wnd=suc(uvc,jyd,23,37,15,1);xnd=vuc(quc(uvc,1),jyd,23,15,[-1,-1,63,40,32,28,25,23,21,20,19,19,18,18,17,17,16,16,16,15,15,15,15,14,14,14,14,14,14,13,13,13,13,13,13,13,13]);ynd=suc(vvc,fyd,23,37,14,1);for(a=2;a<=36;a++){wnd[a]=qvc($wnd.Math.pow(a,vnd[a]));ynd[a]=N8c(IBd,wnd[a])}} -function Zpd(a,b,c,d,e){var f,g;f=J8c(K8c(b[0],SLd),K8c(d[0],SLd));a[0]=d9c(f);f=$8c(f,32);if(c>=e){for(g=1;g0||ckBd)&&R9b(b,kH(a.b,new qad(a.d,0))),cQBd&&R9b(b,kH(a.b,new qad(0,a.d))),cjBd&&R9b(b,kH(a.b,new qad(-a.d,0))),c<$Cd&&e>$Cd&&R9b(b,kH(a.b,new qad(0,-a.d))),R9b(b,kH(a.b,new qad($wnd.Math.cos(c)*a.d,$wnd.Math.sin(c)*a.d))),R9b(b,kH(a.b,new qad($wnd.Math.cos(e)*a.d,$wnd.Math.sin(e)*a.d))),b} -function yrb(){yrb=p9c;vrb=new F9c('chiralFlag',(Z9c(),new 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Bjd;En(d,(qgd(),mgd));yjd(d,c);yjd(d,this.a);yjd(d,this.d);Cg(this.c,d);og(this.e,new qEb(this),(_oc(),_oc(),$oc));og(this.d,new rEb(this),(voc(),voc(),uoc))} -function g0(a){var b,c,d,e,f,g,h;e=new vT(false,13,true,gCd);a.ci()?(b=new X$(a.ci(),e)):(b=new P$(a.ei().a,a.ei().b,13,(QQ(),PQ)));c=a.gi();d=new HS(vuc(quc(nFc,1),nBd,106,0,[b]));for(g=0,h=c.length;g0&&_hb(b,NEd,j.a.substr(1));d!=(bjb(),Yib)&&!d1b(c.n).sd()&&Zhb(b,(o=d1b(c.n),o.sd()||Q0((P0(),K0))?o:new Srd(vuc(quc(WYc,1),lyd,176,0,[o.zd(0)]))).Qb(),c.Lh());return b} -function fy(a,b){return b.Me().vd()==dsd(a.r).b.vd()&&b.Ne().vd()==dsd(a.s).b.vd()&&b.Re().vd()==dsd(a.A).b.vd()&&b.Oe().vd()==dsd(a.t).b.vd()&&b.Le().vd()==dsd(a.q).b.vd()&&b.Qe().vd()==dsd(a.w).b.vd()&&b.Te().vd()==dsd(a.C).b.vd()&&dsd(a.u).b.vd()==b.Pe().vd()&&b.Se().vd()==dsd(a.B).b.vd()&&Nr(a.r,b.Me())&&Nr(a.s,b.Ne())&&Nr(a.A,b.Re())&&Nr(a.t,b.Oe())&&Nr(a.q,b.Le())&&Nr(a.w,b.Qe())&&Nr(a.C,b.Te())&&Nr(a.u,b.Pe())&&Nr(a.B,b.Se())} -function tP(a,b){var c,d,e,f,g,h,j,l,m,n;a.c.a=suc(_5c,lyd,1,0,5,1);j=new jud;for(d=(n=b.a.mp().Qb(),new erd(n));d.a.Rc();){c=(l=d.a.Sc(),l.Ok());e=false;for(h=c.Ml().Qb();h.Rc();){f=h.Sc();if(crd(b,E2b(f,c))){j.a.pp(f,j);e=true}}e||Wr(a.c,new T$(jw(a.f,c.Lh()),6,a.d))}for(g=(m=(new ard(j.a)).a.mp().Qb(),new brd(m));g.a.Rc();){f=(l=g.a.Sc(),l.yp());Wr(a.c,new P$(jw(a.f,f.c.Lh()),jw(a.f,f.d.Lh()),10,a.d))}a.a=2.001;a.b=0.1;iS(a.e,50)} -function Xb(a){var b,c,d,e,f,g,h,j,l,m;d=a.b;h=a.f;j=d.Xl().c;l=a.c[1];e=a.c[2];m=a.c[3];c=a.c[4];f=(b=a.c[4],a.d+b+(b/2|0)+j-h);owd(Tb,(Uvd(),Rvd))&&kwd(Tb,'Nitrogenlike atom.');if(j>1||m!=0||f>5){return ec()}if(c==2){if(f==3){g=h>1?-h:0;return dc(g)}else if(f==4||f==5&&l==0){return dc(-h)}}else if(c==3&&f==4){g=-h;return dc(g)}else if(c==1){if(f==1){return dc(2-h)}else if(f>1&&f<4||f==4&&e==1||f==5&&l==0){return dc(-h)}}return ec()} -function Cab(a,b,c){var d,e,f,g,h,j,l,m;l=new yod;g=j8(a,c);j=0;for(h=0;h0;break;case 2:++a.k;a.j=true;break;case 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U9c('data:image/svg+xml;base64,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')))} -function _z(b){var c,d,e,f,g,h,j,l,m,n,o,q,r;q=new bA;try{Px(b)&&aA(q,null);for(g=new Frd(Ix(b));g.a2){l=null;for(A=(u=(new ard(m.a)).a.mp().Qb(),new brd(u));A.a.Rc();){w=(n=A.a.Sc(),n.yp());if(rsd(dsd(w.r),e)){l=w;Q1(w,q5(B));Hqd(v,w,mnd(B.n));break}}if(l){continue}l=_1(e);Q1(l,q5(B));Hqd(t,mnd(B.i),l);Hqd(v,l,mnd(B.n));FVb(a,l);m.a.pp(l,m)}else if(e.a.length==1){j=r5(B);j?e.a[0].jm(j.a):e.a[0].Hi(q5(B))}else if(e.a.length==2){o=new b2(e,q5(B));dsd(o.s).b.vd()==1&&(new qsd(dsd(o.s).b.Qb())).b.Sc().Hi(b1b(d1b(o.n)))}else e.a.length==0&&Wr(f,new _4(q5(B),B.n))}}U6(t,v);T6(t,f);for(C=new Frd(h);C.a0&&dsd(e.k).b.vd()==1&&Q0b(dsd(e.k).a.zd(0))&&atd(g,xvb)}atd(g,(Dvb(),svb));return g} -function bEb(a,b){var c,d,e,f,g,h,j,l,m,n,o,q,r,s,t,u,v,w,A,B;d=new Bjd;En(d,(qgd(),mgd));c=new Wo;Vo(c,(vgd(),ugd));if(b){yjd(d,aEb(a,vuc(quc(uXc,1),MId,57,0,[(B3b(),m3b),n3b])));Qo(c,cEb(a,vuc(quc(mRc,1),lyd,234,0,[(e=new _td,f=vuc(quc(uXc,1),MId,57,0,[k3b,l3b]),Ytd(e,'',f),g=vuc(quc(uXc,1),MId,57,0,[g3b,h3b]),Ytd(e,'Aryl',g),h=vuc(quc(uXc,1),MId,57,0,[q3b,r3b]),Ytd(e,'Cycloalkyl',h),j=vuc(quc(uXc,1),MId,57,0,[o3b,p3b]),Ytd(e,'Cycloalkenyl',j),new gEb('Carb',e))])));Qo(c,cEb(a,vuc(quc(mRc,1),lyd,234,0,[(l=new _td,m=vuc(quc(uXc,1),MId,57,0,[w3b,x3b]),Ytd(l,'',m),n=vuc(quc(uXc,1),MId,57,0,[u3b,v3b]),Ytd(l,NId,n),new gEb(OId,l)),(o=new _td,q=vuc(quc(uXc,1),MId,57,0,[y3b,z3b]),Ytd(o,'',q),new gEb('No carbon',o))])))}else{yjd(d,aEb(a,vuc(quc(uXc,1),MId,57,0,[(B3b(),U2b),V2b])));Qo(c,cEb(a,vuc(quc(mRc,1),lyd,234,0,[(r=new _td,s=vuc(quc(uXc,1),MId,57,0,[i3b,j3b]),Ytd(r,'',s),t=vuc(quc(uXc,1),MId,57,0,[a3b,b3b]),Ytd(r,'Alkynyl',t),u=vuc(quc(uXc,1),MId,57,0,[$2b,_2b]),Ytd(r,'Alkyl',u),v=vuc(quc(uXc,1),MId,57,0,[W2b,X2b]),Ytd(r,'Alkenyl',v),new gEb('Carb',r))])));Qo(c,cEb(a,vuc(quc(mRc,1),lyd,234,0,[(w=new _td,A=vuc(quc(uXc,1),MId,57,0,[s3b,t3b]),Ytd(w,'',A),B=vuc(quc(uXc,1),MId,57,0,[Y2b,Z2b]),Ytd(w,'Alkoxy',B),new gEb(OId,w))])))}yjd(d,c);return d} -function jMb(){jMb=p9c;aMb=new kMb('IO',0,vuc(quc(g6c,1),eyd,2,6,[BGd,'save']));_Lb=new kMb('HISTORY',1,vuc(quc(g6c,1),eyd,2,6,[rGd,sGd]));VLb=new kMb('CLIPBOARD',2,vuc(quc(g6c,1),eyd,2,6,[Zzd,$zd,Yzd]));iMb=new kMb('ZOOM',3,vuc(quc(g6c,1),eyd,2,6,[UFd,VFd,'zoomToFit',FFd]));hMb=new kMb('THREE_D',4,vuc(quc(g6c,1),eyd,2,6,['clean3d',zHd]));fMb=new kMb('SELECT',5,vuc(quc(g6c,1),eyd,2,6,[jJd,kJd]));TLb=new kMb('BASIC_BONDS',6,vuc(quc(g6c,1),eyd,2,6,[_Fd,aGd,bGd]));YLb=new kMb('EXTENDED_BONDS',7,vuc(quc(g6c,1),eyd,2,6,[cGd,dGd,eGd,mGd]));dMb=new kMb('QUERY_BONDS',8,vuc(quc(g6c,1),eyd,2,6,[fGd,gGd,hGd,iGd,jGd,kGd,lGd,EFd]));ZLb=new kMb('FASTDRAW',9,vuc(quc(g6c,1),eyd,2,6,[GFd,BFd]));ULb=new kMb(HCd,10,vuc(quc(g6c,1),eyd,2,6,[CFd,DFd]));eMb=new kMb(jDd,11,vuc(quc(g6c,1),eyd,2,6,[vGd,KFd]));SLb=new kMb('ARROWS',12,vuc(quc(g6c,1),eyd,2,6,[LFd,MFd,NFd]));WLb=new kMb('EFLOWS',13,vuc(quc(g6c,1),eyd,2,6,[xHd,yHd]));XLb=new kMb('ELECTRONS',14,vuc(quc(g6c,1),eyd,2,6,[TFd,SFd]));gMb=new kMb('SHAPES',15,vuc(quc(g6c,1),eyd,2,6,['box',OFd]));$Lb=new kMb('FREQUENT_ATOMS',16,vuc(quc(g6c,1),eyd,2,6,['H','C','N','O']));cMb=new kMb('QUERY_ATOMS',17,vuc(quc(g6c,1),eyd,2,6,['A','AH','M','MH','Q','QH','X','XH',HGd,JGd]));bMb=new kMb('MIRROR',18,vuc(quc(g6c,1),eyd,2,6,[nGd,oGd]))} -function B3b(){B3b=p9c;c3b=new C3b('ANY_GROUP',0,'G');d3b=new C3b('ANY_GROUP_OR_H',1,'GH');f3b=new C3b('ANY_GROUP_RING_CLOSURE',2,'G*');e3b=new C3b('ANY_GROUP_OR_H_RING_CLOSURE',3,'GH*');A3b=new C3b('POLYMER',4,'Pol');U2b=new C3b('ACYCLIC',5,'ACY');V2b=new C3b('ACYCLIC_OR_H',6,'ACH');i3b=new C3b('CARBACYCLIC',7,'ABC');j3b=new C3b('CARBACYCLIC_OR_H',8,'ABH');a3b=new C3b('ALKYNYL',9,'AYL');b3b=new C3b('ALKYNYL_OR_H',10,'AYH');$2b=new C3b('ALKYL',11,'ALK');_2b=new C3b('ALKYL_OR_H',12,'ALH');W2b=new C3b('ALKENYL',13,'AEL');X2b=new C3b('ALKENYL_OR_H',14,'AEH');s3b=new C3b('HETEROACYCLIC',15,'AHC');t3b=new C3b('HETEROACYCLIC_OR_H',16,'AHH');Y2b=new C3b('ALKOXY',17,'AOX');Z2b=new C3b('ALKOXY_OR_H',18,'AOH');m3b=new C3b('CYCLIC',19,'CYC');n3b=new C3b('CYCLIC_OR_H',20,'CYH');k3b=new C3b('CARBOCYCLIC',21,'CBC');l3b=new C3b('CARBOCYCLIC_OR_H',22,'CBH');g3b=new C3b('ARYL',23,'ARY');h3b=new C3b('ARYL_OR_H',24,'ARH');q3b=new C3b('CYCLOALKYL',25,'CAL');r3b=new C3b('CYCLOALKYL_OR_H',26,'CAH');o3b=new C3b('CYCLOALKENYL',27,'CEL');p3b=new C3b('CYCLOALKENYL_OR_H',28,'CEH');w3b=new C3b('HETEROCYCLIC',29,'CHC');x3b=new C3b('HETEROCYCLIC_OR_H',30,'CHH');u3b=new C3b('HETEROARYL',31,'HAR');v3b=new C3b('HETEROARYL_OR_H',32,'HAH');y3b=new C3b('NO_CARBON',33,'CXX');z3b=new C3b('NO_CARBON_OR_H',34,'CXH')} -function Dpd(a,b){Bpd();var c,d,e,f,g,h,j,l,m,n,o,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J;D=a.e;q=a.d;e=a.a;if(D==0){switch(b){case 0:return '0';case 1:return '0.0';case 2:return '0.00';case 3:return 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zod;o&&(A.a+='-',A);if(v-F>=1){qod(A,w[c]);A.a+='.';A.a+=kod(w,c+1,v-c-1)}else{A.a+=kod(w,c,v-c)}A.a+='E';f>0&&(A.a+='+',A);nod(A,(Cnd(),''+f));return A.a} -function kxd(a){var b,c,d,e,f,g,h,j,l,m,n,o,q;for(h=16;h<80;h++){q=a.f[h-3]^a.f[h-8]^a.f[h-14]^a.f[h-16];a.f[h]=q<<1|q>>>31}b=a.a;c=a.b;d=a.c;e=a.d;f=a.e;j=0;for(m=0;m<4;m++){f+=(b<<5|b>>>27)+(c&d|~c&e)+a.f[j++]+hMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b&c|~b&d)+a.f[j++]+hMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f&b|~f&c)+a.f[j++]+hMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e&f|~e&b)+a.f[j++]+hMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d&e|~d&f)+a.f[j++]+hMd;d=d<<30|d>>>2}for(n=0;n<4;n++){f+=(b<<5|b>>>27)+(c^d^e)+a.f[j++]+iMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b^c^d)+a.f[j++]+iMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f^b^c)+a.f[j++]+iMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e^f^b)+a.f[j++]+iMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d^e^f)+a.f[j++]+iMd;d=d<<30|d>>>2}for(o=0;o<4;o++){f+=(b<<5|b>>>27)+(c&d|c&e|d&e)+a.f[j++]+jMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b&c|b&d|c&d)+a.f[j++]+jMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f&b|f&c|b&c)+a.f[j++]+jMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e&f|e&b|f&b)+a.f[j++]+jMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d&e|d&f|e&f)+a.f[j++]+jMd;d=d<<30|d>>>2}for(l=0;l<=3;l++){f+=(b<<5|b>>>27)+(c^d^e)+a.f[j++]+kMd;c=c<<30|c>>>2;e+=(f<<5|f>>>27)+(b^c^d)+a.f[j++]+kMd;b=b<<30|b>>>2;d+=(e<<5|e>>>27)+(f^b^c)+a.f[j++]+kMd;f=f<<30|f>>>2;c+=(d<<5|d>>>27)+(e^f^b)+a.f[j++]+kMd;e=e<<30|e>>>2;b+=(c<<5|c>>>27)+(d^e^f)+a.f[j++]+kMd;d=d<<30|d>>>2}a.a+=b;a.b+=c;a.c+=d;a.d+=e;a.e+=f;a.i=0;for(g=0;g<16;g++){a.f[g]=0}} -function Ttb(){Ttb=p9c;Csb=new bl(jGd,(Z9c(),new U9c('data:image/svg+xml;base64,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')))} 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Xpb((dtb(),Orb),a.f));nkb(a,nGd,Cpb(a.f,(zrb(),wrb)));nkb(a,oGd,Ipb(a.f,(Arb(),xrb)));nkb(a,pGd,Bpb(a.f));nkb(a,qGd,Hpb(a.f));nkb(a,'A',ikb(a,(WZb(),DXb)));nkb(a,'Q',ikb(a,gZb));nkb(a,'M',ikb(a,IYb));nkb(a,'X',ikb(a,OZb));nkb(a,'AH',ikb(a,GXb));nkb(a,'QH',ikb(a,hZb));nkb(a,'MH',ikb(a,LYb));nkb(a,'XH',ikb(a,QZb));nkb(a,rGd,new Eqb(a.f,(bub(),Msb)));nkb(a,sGd,new gqb(a.f,(Ltb(),usb)));nkb(a,tGd,$pb('Expand',(qtb(),_rb),spb(new upb(null),a.f),new bqb(a.d,a.f.i)));nkb(a,uGd,new Oob((ctb(),Nrb),a.f,a.d));nkb(a,vGd,new Dqb((Ytb(),Hsb),a.f,new TL(a.f),new MQb(new jEb(a.f))));nkb(a,wGd,new cob(a.f,a.d));nkb(a,xGd,new iqb(a.f,a.d))} -function Wsb(){Wsb=p9c;Frb=new bl(gHd,(Z9c(),new U9c('data:image/svg+xml;base64,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')))} -function YDb(){YDb=p9c;UDb=new $Db('IncreaseTotalH',0,'H',FId,mnd(1),mnd(0),mnd(4),(kcc(),Xbc),Dmd(72));PDb=new $Db('IncreaseImplicitH',1,'h',GId,mnd(1),mnd(0),mnd(4),Sbc,Dmd(104));NDb=new $Db('IncreaseBondOrder',2,'v',HId,mnd(1),mnd(0),mnd(8),Qbc,Dmd(118));ODb=new $Db('IncreaseConnections',3,'X',IId,mnd(1),mnd(0),mnd(3),Rbc,Dmd(120));RDb=new $Db('IncreaseRingCount',4,'R',yId,mnd(1),mnd(0),mnd(6),Ubc,Dmd(82));SDb=new $Db('IncreaseSmallestRingSize',5,'r',JId,mnd(1),mnd(0),mnd(30),Vbc,Dmd(114));QDb=new $Db('IncreaseRingBond',6,'rb',xId,mnd(1),mnd(0),mnd(4),Tbc,Dmd(98));TDb=new $Db('IncreaseSubstitutions',7,'s',zId,mnd(1),mnd(0),mnd(6),Wbc,Dmd(115));XDb=new $Db(hId,8,'u',hId,null,null,null,Ybc,Dmd(117));MDb=new ZDb('DecreaseTotalH',9,'H',FId,mnd(-1),mnd(0),mnd(4),Xbc);HDb=new ZDb('DecreaseImplicitH',10,'h',GId,mnd(-1),mnd(0),mnd(4),Sbc);FDb=new ZDb('DecreaseBondOrder',11,'v',HId,mnd(-1),mnd(0),mnd(8),Qbc);GDb=new ZDb('DecreaseConnections',12,'X',IId,mnd(-1),mnd(0),mnd(3),Rbc);JDb=new ZDb('DecreaseRingCount',13,'R',yId,mnd(-1),mnd(0),mnd(6),Ubc);KDb=new ZDb('DecreaseSmallestRingSize',14,'r',JId,mnd(-1),mnd(0),mnd(30),Vbc);IDb=new ZDb('DecreaseRingBond',15,'rb',xId,mnd(-1),mnd(0),mnd(4),Tbc);LDb=new ZDb('DecreaseSubstitutions',16,'s',zId,mnd(-1),mnd(0),mnd(6),Wbc);EDb=new $Db(KId,17,'a/A',KId,null,null,null,Pbc,Dmd(97));VDb=new ZDb('RingBond',18,'rb*','*Ring bond',null,null,null,Tbc);WDb=new ZDb(zId,19,'s*','*Substitutions',null,null,null,Wbc)} -function C1(){C1=p9c;m1=new D1('MRV',0,'ChemAxon Marvin Document (MRV)',false,true,(a3(),L2));k1=new D1('MOL',1,'MDL Molfile',false,true,I2);t1=new D1('RXN',2,'MDL RXNfile',false,true,T2);r1=new D1('RGF',3,'MDL RGfile',false,true,R2);q1=new D1('RDF',4,'MDL RDfile',false,true,Q2);z1=new D1(mDd,5,mDd,false,true,Z2);d1=new D1('CXSMILES',6,'ChemAxon SMILES',false,true,E2);y1=new D1(nDd,7,nDd,false,true,Y2);c1=new D1('CXSMARTS',8,'ChemAxon Extended SMARTS',false,true,D2);g1=new D1('INCHI',9,'InChI',false,true,G2);h1=new D1('INCHIKEY',10,'InChIKey',false,false,H2);e1=new E1('DOCUMENT',11,'Document',true,true,false,F2);f1=new E1('HTML_XML',12,'HTML or XML',false,true,false,$2);n1=new D1(XAd,13,Lyd,false,true,M2);_0=new D1('CML',14,'CML',false,true,A2);l1=new D1(kDd,15,'MDL Molfile V3000',false,true,J2);u1=new D1('RXN_V3',16,'MDL RXNfile V3000',false,true,U2);s1=new D1('RGF_V3',17,'MDL RGfile V3000',false,true,S2);v1=new D1('SDF',18,'MDL SDfile',false,true,V2);w1=new E1('SDF_CTAB',19,'MDL SDfile (CTAB v2000)',false,false,true,W2);a1=new D1('CSMOL',20,'ChemAxon Compressed Molfile',false,true,B2);b1=new D1('CSSDF',21,'ChemAxon Compressed SDfile',false,true,C2);Z0=new D1('CDX',22,'CDX File format',true,true,y2);$0=new E1('CDXML',23,'CDXML File format',false,true,false,z2);x1=new D1('SKC',24,'SKC File format',true,true,X2);p1=new E1('PDF',25,'PDF file',true,true,false,P2);o1=new D1('PDB',26,'Protein Data Bank / PDB',false,true,O2);i1=vuc(quc(xHc,1),oDd,383,0,[m1,k1]);j1=vuc(quc(xHc,1),oDd,383,0,[m1,k1,l1])} -function qw(a){var b,c,d,e,f,g,h,j,l,m,n,o,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R;F=ax(Mu(a.a));m=hx(Lu(a.a));h=Bdb(a.a.C,m);J=a.a;s=a.a.a.f;for(r=new Frd(cVb(h));r.a0;--o){f=w.zd(o-1);Ytd(a.d,f,new dV(f,a.n,a.f,a.f,a.f,a.s))}for(q=A.vd();q>0;--q){f=A.zd(q-1);Ytd(a.e,f,(J=YS(a,f),K=TS(a,J,fT(a,f.c),fT(a,f.d)),!!f&&((s6b(),h6b)==f.o||f6b==f.o)&&!Cqd(a.b,f)&&Hqd(a.b,f,J),K))}for(r=B.vd();r>0;--r){f=B.zd(r-1);Ytd(a.k,f,US(a,f,new c_(a.f.ce((D=mUb(f.a),D.a))),fT(a,f.b)))}for(n=C.vd();n>0;--n){f=C.zd(n-1);Hqd(a.p,f,new SZ(f,a.n,a.f,a.f,a.f,a.s))}for(l=new Frd(new gs(dsd(b.q)));l.a=-1900?1:0;c>=4?nod(a,vuc(quc(g6c,1),eyd,2,6,[LKd,MKd])[h]):nod(a,vuc(quc(g6c,1),eyd,2,6,['BC','AD'])[h]);break;case 121:prc(a,c,d);break;case 77:orc(a,c,d);break;case 107:j=e.r.getHours();j==0?Krc(a,24,c):Krc(a,j,c);break;case 83:nrc(a,c,e);break;case 69:m=d.r.getDay();c==5?nod(a,vuc(quc(g6c,1),eyd,2,6,['S','M','T','W','T','F','S'])[m]):c==4?nod(a,vuc(quc(g6c,1),eyd,2,6,[NKd,OKd,PKd,QKd,RKd,SKd,TKd])[m]):nod(a,vuc(quc(g6c,1),eyd,2,6,['Sun','Mon','Tue','Wed','Thu','Fri','Sat'])[m]);break;case 97:e.r.getHours()>=12&&e.r.getHours()<24?nod(a,vuc(quc(g6c,1),eyd,2,6,['AM','PM'])[1]):nod(a,vuc(quc(g6c,1),eyd,2,6,['AM','PM'])[0]);break;case 104:n=e.r.getHours()%12;n==0?Krc(a,12,c):Krc(a,n,c);break;case 75:o=e.r.getHours()%12;Krc(a,o,c);break;case 72:q=e.r.getHours();Krc(a,q,c);break;case 99:r=d.r.getDay();c==5?nod(a,vuc(quc(g6c,1),eyd,2,6,['S','M','T','W','T','F','S'])[r]):c==4?nod(a,vuc(quc(g6c,1),eyd,2,6,[NKd,OKd,PKd,QKd,RKd,SKd,TKd])[r]):c==3?nod(a,vuc(quc(g6c,1),eyd,2,6,['Sun','Mon','Tue','Wed','Thu','Fri','Sat'])[r]):Krc(a,r,1);break;case 76:s=d.r.getMonth();c==5?nod(a,vuc(quc(g6c,1),eyd,2,6,['J','F','M','A','M','J','J','A','S','O','N','D'])[s]):c==4?nod(a,vuc(quc(g6c,1),eyd,2,6,[yKd,zKd,AKd,BKd,CKd,DKd,EKd,FKd,GKd,HKd,IKd,JKd])[s]):c==3?nod(a,vuc(quc(g6c,1),eyd,2,6,['Jan','Feb','Mar','Apr',CKd,'Jun','Jul','Aug','Sep','Oct','Nov','Dec'])[s]):Krc(a,s+1,c);break;case 81:t=d.r.getMonth()/3|0;c<4?nod(a,vuc(quc(g6c,1),eyd,2,6,['Q1','Q2','Q3','Q4'])[t]):nod(a,vuc(quc(g6c,1),eyd,2,6,['1st quarter','2nd quarter','3rd quarter','4th quarter'])[t]);break;case 100:u=d.r.getDate();Krc(a,u,c);break;case 109:l=e.r.getMinutes();Krc(a,l,c);break;case 115:g=e.r.getSeconds();Krc(a,g,c);break;case 122:c<4?nod(a,f.c[0]):nod(a,f.c[1]);break;case 118:nod(a,f.b);break;case 90:c<3?nod(a,ltc(f)):c==3?nod(a,ktc(f)):nod(a,ntc(f.a));break;default:return false;}return true} -function Ztb(){Ztb=p9c;Isb=new bl('stereoinfo',(Z9c(),new U9c('data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCI+PGRlZnM+PHN0eWxlPi5jbHMtMntmaWxsOiM1MDUwNTB9PC9zdHlsZT48L2RlZnM+PHBhdGggZmlsbD0ibm9uZSIgZD0iTTAgMGgyNHYyNEgweiIgaWQ9IlRyaW1fQXJlYSIgZGF0YS1uYW1lPSJUcmltIEFyZWEiLz48ZyBpZD0iSWNvbnMiPjxwYXRoIGNsYXNzPSJjbHMtMiIgZD0iTTIgMTFoNHYySDJ6bTE2IDBoNHYyaC00eiIvPjxwYXRoIGNsYXNzPSJjbHMtMiIgdHJhbnNmb3JtPSJyb3RhdGUoLTkwIDEwIDIwKSIgZD0iTTggMTloNHYySDh6Ii8+PHBhdGggY2xhc3M9ImNscy0yIiB0cmFuc2Zvcm09InJvdGF0ZSgtOTAgMTQgMjApIiBkPSJNMTIgMTloNHYyaC00eiIvPjxwYXRoIGNsYXNzPSJjbHMtMiIgdHJhbnNmb3JtPSJyb3RhdGUoLTkwIDEwIDQpIiBkPSJNOCAzaDR2Mkg4eiIvPjxwYXRoIGNsYXNzPSJjbHMtMiIgdHJhbnNmb3JtPSJyb3RhdGUoLTkwIDE0IDQpIiBkPSJNMTIgM2g0djJoLTR6Ii8+PHBhdGggY2xhc3M9ImNscy0yIiBkPSJNMTEuMzggMTIuNjdhMS4wOSAxLjA5IDAgMCAxIC4wNy0uNDIuOC44IDAgMCAxIC4yMi0uMzJsLjQyLS4zOGEzLjM5IDMuMzkgMCAwIDAgLjMzLS4zMSAxIDEgMCAwIDAgLjIyLS4yNy41LjUgMCAwIDAgLjA4LS4yNy41Ni41NiAwIDAgMC0uMTctLjQyLjYuNiAwIDAgMC0uNDItLjE1Ljc3Ljc3IDAgMCAwLS41OS4yMS44NC44NCAwIDAgMC0uMjIuNTJsLTEuMjctLjA4YTEuOSAxLjkgMCAwIDEgLjY0LTEuMzJBMi4xMiAyLjEyIDAgMCAxIDEyLjEgOWEyLjM0IDIuMzQgMCAwIDEgLjcxLjEgMS43NSAxLjc1IDAgMCAxIC41OS4zMSAxLjUxIDEuNTEgMCAwIDEgLjU1IDEuMiAyIDIgMCAwIDEgMCAuNDQgMS4zOSAxLjM5IDAgMCAxLS4xNy4zOCAyLjQ3IDIuNDcgMCAwIDEtLjMxLjM4IDQuNTUgNC41NSAwIDAgMS0uNDkuNDIuNzIuNzIgMCAwIDAtLjI1LjI5LjU1LjU1IDAgMCAwLS4wNy4yOHYuMmgtMS4yOHptLS4xNCAxLjU4YS43My43MyAwIDAgMSAuMDYtLjMuNzQuNzQgMCAwIDEgLjQtLjQuNzMuNzMgMCAwIDEgLjMtLjA2LjcyLjcyIDAgMCAxIC4yOS4wNi42Ny42NyAwIDAgMSAuMjQuMTYuNjMuNjMgMCAwIDEgLjE2LjI0LjczLjczIDAgMCAxIC4wNi4zLjcyLjcyIDAgMCAxLS4wNi4yOS43NC43NCAwIDAgMS0uNC40LjcyLjcyIDAgMCAxLS4yOS4wNi43My43MyAwIDAgMS0uMy0uMDYuNjMuNjMgMCAwIDEtLjI0LS4xNi42Ny42NyAwIDAgMS0uMTYtLjI0LjcyLjcyIDAgMCAxLS4wNi0uMjl6bS0yLjQyLjkzYTQuNDkgNC40OSAwIDAgMSAwLTYuMzZsLjcxLjdhMy41IDMuNSAwIDAgMCAwIDV6bTYuMzYgMGwtLjcxLS43YTMuNSAzLjUgMCAwIDAgMC01bC43MS0uN2E0LjQ5IDQuNDkgMCAwIDEgMCA2LjM2eiIvPjwvZz48L3N2Zz4=')))} -function agc(){agc=p9c;Vec=new Ndc;Uec=new Mdc;Wec=new Odc;Xec=new Udc;Yec=new Vdc;Zec=new Ydc;$ec=new Zdc;_ec=new $dc;afc=new _dc;bfc=new aec;cfc=new bec;dfc=new cec;efc=new dec;ffc=new eec;gfc=new fec;hfc=new gec;jfc=new iec;ifc=new hec;kfc=new jec;lfc=new kec;mfc=new nec;nfc=new oec;pfc=new qec;qfc=new rec;ofc=new pec;rfc=new sec;sfc=new tec;tfc=new uec;ufc=new vec;wfc=new yec;yfc=new Aec;zfc=new Bec;xfc=new zec;vfc=new wec;Afc=new Cec;Bfc=new Dec;Cfc=new Eec;Dfc=new Fec;Efc=new Oec;Gfc=new Sec;Ffc=new Rec;Hfc=new Tec;Kfc=new cgc;Lfc=new dgc;Jfc=new bgc;Mfc=new egc;Nfc=new fgc;Ofc=new ggc;Pfc=new hgc;Qfc=new igc;Rfc=new lgc;Tfc=new ngc;Ufc=new ogc;Sfc=new mgc;Vfc=new pgc;Wfc=new qgc;Xfc=new rgc;Yfc=new sgc;$fc=new ugc;_fc=new vgc;Zfc=new tgc;Ifc=new ltd;Iqd(Ifc,'region',Hfc);Iqd(Ifc,'alert',Uec);Iqd(Ifc,rAd,efc);Iqd(Ifc,MJd,Vec);Iqd(Ifc,NJd,Wec);Iqd(Ifc,'document',gfc);Iqd(Ifc,'article',Xec);Iqd(Ifc,'banner',Yec);Iqd(Ifc,OJd,Zec);Iqd(Ifc,PJd,$ec);Iqd(Ifc,'gridcell',jfc);Iqd(Ifc,QJd,_ec);Iqd(Ifc,'group',kfc);Iqd(Ifc,'combobox',afc);Iqd(Ifc,RJd,bfc);Iqd(Ifc,SJd,cfc);Iqd(Ifc,TJd,dfc);Iqd(Ifc,'list',ofc);Iqd(Ifc,'directory',ffc);Iqd(Ifc,'form',hfc);Iqd(Ifc,'grid',ifc);Iqd(Ifc,'heading',lfc);Iqd(Ifc,'img',mfc);Iqd(Ifc,'link',nfc);Iqd(Ifc,'listbox',pfc);Iqd(Ifc,'listitem',qfc);Iqd(Ifc,'log',rfc);Iqd(Ifc,'main',sfc);Iqd(Ifc,'marquee',tfc);Iqd(Ifc,'math',ufc);Iqd(Ifc,'menu',vfc);Iqd(Ifc,'menubar',wfc);Iqd(Ifc,'menuitem',xfc);Iqd(Ifc,UJd,yfc);Iqd(Ifc,XJd,Cfc);Iqd(Ifc,'radio',Ffc);Iqd(Ifc,VJd,zfc);Iqd(Ifc,WJd,Afc);Iqd(Ifc,'note',Bfc);Iqd(Ifc,YJd,Dfc);Iqd(Ifc,ZJd,Efc);Iqd(Ifc,$Jd,Gfc);Iqd(Ifc,'row',Jfc);Iqd(Ifc,'rowgroup',Kfc);Iqd(Ifc,'rowheader',Lfc);Iqd(Ifc,nJd,Nfc);Iqd(Ifc,'separator',Ofc);Iqd(Ifc,'scrollbar',Mfc);Iqd(Ifc,'slider',Pfc);Iqd(Ifc,_Jd,Qfc);Iqd(Ifc,'status',Rfc);Iqd(Ifc,'tab',Sfc);Iqd(Ifc,'tablist',Tfc);Iqd(Ifc,'tabpanel',Ufc);Iqd(Ifc,aAd,Vfc);Iqd(Ifc,'timer',Wfc);Iqd(Ifc,'toolbar',Xfc);Iqd(Ifc,'tooltip',Yfc);Iqd(Ifc,'tree',Zfc);Iqd(Ifc,'treegrid',$fc);Iqd(Ifc,'treeitem',_fc)} 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')),32,32)} -function no(a,b){return a?b?new 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b,c,d,e,f,g,h,j,l,m,n;if(Hnd(a.Uo(),'MPolyline')){n=Abb(a.So());if(n){d=new tfb;d.d=n;h=a.To();for(e=0;e=0&&eld(b,qEd,(Cnd(),''+(c+1)))}};var GKc=Mmd(1767);n9c(845,1,{},kgb);var IKc=Mmd(845);n9c(1545,421,{},sgb);var HKc=Mmd(1545);n9c(820,1,{},wgb);var JKc=Mmd(820);n9c(1768,886,{},xgb);_.Nj=lOd;var KKc=Mmd(1768);n9c(904,1,{},Agb);var MKc=Mmd(904);n9c(1871,1,{},Bgb);_.a=0;_.b=0;_.c=0;var NKc=Mmd(1871);n9c(2311,1,{});_.Oj=function(a){return Cgb(this,a)};var QKc=Mmd(2311);n9c(1770,2311,{},Dgb);_.Pj=function(){return 'x2'};_.Qj=function(){return 'y2'};var OKc=Mmd(1770);n9c(1769,2311,{},Egb);_.Oj=function(a){var b;b=Cgb(this,a);Iqd(b,'z3',$md(a.Ki()));return b};_.Pj=function(){return 'x3'};_.Qj=function(){return 'y3'};var PKc=Mmd(1769);n9c(1771,846,{},Kgb); -var SKc=Mmd(1771);n9c(1772,1,{},Qgb);var RKc=Mmd(1772);n9c(2290,1,{});var Rgb;var VKc=Mmd(2290);n9c(1283,2290,{},Tgb);_.Rj=wMd;_.Sj=wMd;var 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true}else{c=ky(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.u).a.zd(0):null;if(!!c&&!Ex(this.c.i.A,c)){g=ky(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.u).a.zd(0):null;lO(this,jB(this.c.i,this.a,g));dx(Mu(this.c.i),jw(this.c.i,Aac((h=mUb(g.a),h.a),g.b.Lh())));this.c.a.Rd();return true}else{a=hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null;if(!!a&&!Ex(this.c.i.A,a)&&((s6b(),m6b)==this.a||h6b==this.a||q6b==this.a||f6b==this.a||l6b==this.a||r6b==this.a||p6b==this.a)){qob(this);this.c.a.Rd();return true}}}}return iob(this)};_.Ck=function(){var a;a=new Cy(this.c.i.A);return !dsd(a.s).a.sd()||!dsd(a.A).a.sd()||!dsd(a.u).a.sd()||dsd(a.r).b.vd()+dsd(a.s).b.vd()+dsd(a.A).b.vd()+dsd(a.t).b.vd()+dsd(a.q).b.vd()+dsd(a.w).b.vd()+dsd(a.C).b.vd()+dsd(a.B).b.vd()+dsd(a.u).b.vd()==1&&!dsd(a.r).a.sd()};_.Dk=function(){var a,b,c,d,e,f,g,h;b=new wB;d=false;h=new Cy(this.c.i.A);if(!dsd(h.s).a.sd()){uB(b,gB(this.c.i,this.a,dsd(h.s)));d=true}if(!dsd(h.A).a.sd()){uB(b,eB(this.c.i,this.a,dsd(h.A)));d=true}if(!dsd(h.u).a.sd()){uB(b,kB(this.c.i,this.a,dsd(h.u)));d=true}if(d){c=vB(b,this.c.i);yQ(this.c.f,c)}if(dsd(h.r).b.vd()+dsd(h.s).b.vd()+dsd(h.A).b.vd()+dsd(h.t).b.vd()+dsd(h.q).b.vd()+dsd(h.w).b.vd()+dsd(h.C).b.vd()+dsd(h.B).b.vd()+dsd(h.u).b.vd()==1&&!dsd(h.r).a.sd()){a=dsd(h.r).a.zd(0);g=xH(H9b(a.Lh(),false,K9b(a),LBd),a,this.c.i);f=new S2b(this.a,a,g);e=new By;lsd(dsd(this.c.i.C.n),g)||mx(e,g);nx(e,f);lO(this,new PC(this.c.i,e))}};var TMc=Mmd(677);n9c(1835,1,Izd,tob);_.eb=function(){dx(Mu(this.a.c.i),jw(this.a.c.i,D2b(this.b)))};var SMc=Mmd(1835);n9c(830,66,{60:1,245:1,830:1,12:1,13:1,19:1},wob);_.db=function(){var a;if(!(!!this.b.a.a&&!!vob(this,this.b.a.a.a))){return false}a=this.b.a.a.a;return qmd(),iO(vob(this,a),a)?true:false};_.De=function(a){ud(this,Byd,(qmd(),!!this.b.a.a&&!!vob(this,this.b.a.a.a)?true:false))};var UMc=Mmd(830);n9c(1488,66,nHd,xob);_.db=function(){var a,b;b=MWb();a=new pB(this.a.i,b);this.a.i.n&&(a=new AB(this.a.i,vuc(quc(PEc,1),ABd,38,0,[a,new eE(b,true)])));yQ(this.a.f,a);ud(this,Fyd,(qmd(),omd));this.a.i.w.Hf();return true};_.Ud=function(a){ud(this,Byd,(qmd(),!!this.a.i.C&&!Cdb(this.a.i.C)?true:false))};var VMc=Mmd(1488);n9c(1508,66,Hyd,yob);_.db=function(){!Sx(this.a.i.A)&&Ry(this.a.i.A);Yw(this.a,this.a.d);return true};var WMc=Mmd(1508);n9c(423,66,Hyd,zob,Aob,Bob);_.db=function(){this.a.eb();ud(this,Fyd,(qmd(),omd));return true};var XMc=Mmd(423);n9c(1493,1,pHd,Mob);_.md=function(){return Cob(this)};_.ne=function(){var a,b,c;b=Dob(this);c=Vw(this.a);a=b?new VA(c,!Eob(this,b),b):new eE(c,!c.e);yQ(this.a.f,a);return true};_.Ek=function(){if(O0b(Vw(this.a))){return Iob(this)||Fob(this,Lu(this.a.i).b)}return true};var YMc=Mmd(1493);n9c(1645,66,jHd,Oob);_.db=function(){if(this.c.a.vd()!=0){yQ(this.b.f,new BB(this.c,this.b.i));this.b.i.w.Hf();return true}return false};_.De=function(a){Nob(this)};_.Zd=function(){Nob(this)};var ZMc=Mmd(1645);n9c(1501,1,pHd,Sob);_.ne=function(){var a;a=Rob(this);!!a&&yQ(this.a.f,KB(dsd(a.r),this.a.i.C));return true};_.Ek=function(){var a,b;b=this.a.i;if(!Sx(b.A)){a=b.C;if(dsd(a.n).b.vd()>0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0))){return !!Rob(this)}}return false};var $Mc=Mmd(1501);n9c(635,1,{},Yob);_.a=false;var _Mc=Mmd(635);n9c(1081,66,Hyd,Zob);_.db=function(){if(this.a){Ymb(this.a.a);return true}return false};var aNc=Mmd(1081);n9c(1478,66,Hyd,$ob);_.db=function(){nEb(new pEb(this.a.a));ud(this,Fyd,(qmd(),false));return false};var bNc=Mmd(1478);n9c(1486,280,kHd,_ob);_.db=function(){var a;if(hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null){a=hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null;lO(this,new dE(this.c.i,-1,new Srd(vuc(quc(tWc,1),zBd,49,0,[a]))));wic((pic(),oic),new bpb(this,a));this.c.i.w.Hf();this.c.a.Rd();this.c.i.w.Hf();return true}return iob(this)};_.Ck=qOd;_.Dk=function(){lO(this,new dE(this.c.i,-1,dsd(this.c.i.A.r)));!this.e&&(this.e=new Cqc);vqc(this.e,new ae,this)};var dNc=Mmd(1486);n9c(1487,1,Izd,bpb);_.eb=pOd;var cNc=Mmd(1487);n9c(633,280,kHd,cpb);_.Ck=qOd;_.Dk=function(){this.a.Ag(new Cy(this.c.i.A))};var eNc=Mmd(633);n9c(1489,66,Hyd,epb);_.db=function(){if(Sx(this.b.i.A)){if((!this.a||!this.a.b.c.c.M)&&!Sx(hx(Lu(this.b.i)))){dpb(this,hx(Lu(this.b.i)));return true}}else{dpb(this,this.b.i.A);Ry(this.b.i.A);return true}return false};var fNc=Mmd(1489);n9c(1481,66,iHd,fpb);_.db=function(){var a;if(Sx(this.b)){return false}a=QVb(this.a.i.C,this.b);Gy(a,new qad(0.77,-0.77));yQ(this.a.f,RC(this.a.i,a));Ry(this.a.i.A);Ou(this.a.i,a);return true};_.De=function(a){Dx(this.b);qx(this.b,gpb(this.a.i));ud(this,Byd,(qmd(),Sx(this.b)?false:true))};var gNc=Mmd(1481);n9c(1482,280,kHd,hpb);_.Ck=function(){return !Sx(this.c.i.A)};_.Dk=function(){lO(this,new DD(this.c.i,this.c.i.A));!this.e&&(this.e=new Cqc);vqc(this.e,new ae,this)};var hNc=Mmd(1482);var kpb,lpb,mpb;n9c(1748,1747,fAd,opb);var iNc=Mmd(1748);n9c(1490,66,Hyd,qpb);_.db=function(){Jv(this.a);ud(this,Fyd,(qmd(),false));return true};var jNc=Mmd(1490);n9c(1491,66,rHd,rpb);_.db=function(){ud(this,Fyd,(qmd(),false));if(!Sx(this.a.A)){Kv(this.a,this.a.A);return true}return false};_.Zd=function(){ud(this,Byd,(qmd(),Sx(this.a.A)?false:true))};var kNc=Mmd(1491);n9c(839,1,pHd);var lNc=Mmd(839);n9c(610,1,{},upb);var mNc=Mmd(610);n9c(1484,280,kHd,vpb);_.db=function(){var a;if(hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null){a=hy(Lu(this.c.i).b)?dsd(Lu(this.c.i).b.r).a.zd(0):null;lO(this,new dE(this.c.i,1,new Srd(vuc(quc(tWc,1),zBd,49,0,[a]))));wic((pic(),oic),new xpb(this,a));this.c.i.w.Hf();this.c.a.Rd();this.c.i.w.Hf();return true}return iob(this)};_.Ck=qOd;_.Dk=function(){lO(this,new dE(this.c.i,1,dsd(this.c.i.A.r)));!this.e&&(this.e=new Cqc);vqc(this.e,new ae,this)};var oNc=Mmd(1484);n9c(1485,1,Izd,xpb);_.eb=pOd;var nNc=Mmd(1485);n9c(1506,135,{60:1,214:1,12:1,143:1,13:1,19:1},ypb);_.Ud=function(a){ud(this,Byd,(qmd(),St(this.c.c,(cu(),_t)).Pd()?false:true))};var pNc=Mmd(1506);n9c(426,66,rHd,zpb,Apb);_.db=function(){if(this.c){yQ(this.a.f,this.b.Fk(this.a.i.A,this.c));return true}return false};_.Zd=function(){this.c=$z(this.a.i.A);Bd(this,!!this.c)};var uNc=Mmd(426);n9c(1639,1,{},Jpb);_.Fk=function(a,b){return Dpb(this.a,a,b)};var qNc=Mmd(1639);n9c(1640,1,{},Kpb);_.Fk=function(a,b){return Epb(this.a,a,b)};var rNc=Mmd(1640);n9c(1641,1,{},Lpb);_.Fk=function(a,b){return Fpb(this.a,a,b)};var sNc=Mmd(1641);n9c(1642,1,{},Mpb);_.Fk=function(a,b){return Gpb(this.a,a,b)};var tNc=Mmd(1642);n9c(832,280,kHd,Tpb);_.Ck=function(){var a;a=this.c.i.A;return (dsd(a.r).b.vd()>1||!dsd(a.u).a.sd())&&(dsd(a.r).b.vd()<2||aVb(this.c.i.C,dsd(a.r)))&&Opb(this,a)};_.Dk=function(){Rpb(this)};var wNc=Mmd(832);n9c(509,1,Izd,Upb);_.eb=function(){yQ(this.a.c.f,this.b);Ry(this.a.c.i.A)};var vNc=Mmd(509);n9c(1637,832,kHd,Xpb);_.Ck=function(){var a;a=this.c.i.A;return (dsd(a.s).b.vd()+dsd(a.A).b.vd()+dsd(a.u).b.vd()>0&&dsd(a.r).a.sd()||dsd(a.r).b.vd()>1)&&Opb(this,a)};_.Dk=function(){var a,b,c,d,e;e=this.c.i.A;c=jL(dsd(e.r));if(c){a=new kud(dsd(e.r));a.a.qp(c)!=null;d=new By;rx(d,new W0b(a,c,Vpb));b=new PC(this.c.i,d);xic((pic(),oic),new Upb(this,b))}else dsd(e.s).b.vd()+dsd(e.A).b.vd()+dsd(e.u).b.vd()>0&&dsd(e.r).a.sd()?xic((pic(),oic),new Ypb(this,e)):Rpb(this)};var Vpb;var yNc=Mmd(1637);n9c(1638,1,Izd,Ypb);_.eb=function(){var a;a=vB(uB(uB(uB(new wB,gB(this.a.c.i,(Wpb(),Vpb),dsd(this.b.s))),eB(this.a.c.i,Vpb,dsd(this.b.A))),kB(this.a.c.i,Vpb,dsd(this.b.u))),this.a.c.i);yQ(this.a.c.f,a);Ry(this.a.c.i.A)};var xNc=Mmd(1638);n9c(308,66,sHd,Zpb);_.db=function(){return !!this.b&&this.b.ne()};_.Gk=function(){ud(this,Byd,(qmd(),!!this.b&&this.b.Ek()?true:false))};var zNc=Mmd(308);n9c(1492,308,sHd,_pb);_.Gk=function(){ud(this,Byd,(qmd(),!!this.b&&this.b.Ek()?true:false));ud(this,Fyd,!!this.a&&Cob(this.a)?true:false)};var ANc=Mmd(1492);n9c(499,1,{},bqb);var DNc=Mmd(499);n9c(1327,1,{245:1,13:1},cqb);_.De=function(a){aqb(this.a)};var BNc=Mmd(1327);n9c(1328,1,{194:1},dqb);_.Zd=function(){aqb(this.a)};var CNc=Mmd(1328);n9c(510,280,kHd,eqb);_.Ck=function(){this.a.a=suc(_5c,lyd,1,0,5,1);aP(this.b)||Xr(this.a,Uac(Yac(new Cy(this.c.i.A))));return this.a.a.length!=0};_.Dk=function(){var a,b,c;if(this.a.a.length!=0){a=new By;for(c=new Frd(this.a);c.adsd(e.r).b.vd()){c=new Wgb;a=new utd(dsd(d.n));Qqd(a,dsd(e.r));f=Cib(this.d,d,c);b=Yqb(new Zqb(Vgb(c,cWb(d))),a);return Rqb(this,f,b)}mf(lf(this.b.Qi(d),new Tqb(this)),new Vqb(this,d));return true};_.c=false;var fOc=Mmd(812);n9c(1430,1,Xyd,Tqb);_.tb=function(a){Qqb(this.a,a.b)};var cOc=Mmd(1430);n9c(1431,1,Xyd,Vqb);_.tb=function(a){var b;Uqb((b=this,a,b))};var dOc=Mmd(1431);n9c(1432,1,Xyd,Wqb);_.tb=function(a){yQ(this.a.a.f,new sD(this.a.a.i,a,this.a.a.i.A))};var eOc=Mmd(1432);n9c(903,1,{},Zqb);var hOc=Mmd(903);n9c(1823,1,{},_qb);_.Wg=function(a,b){return $qb(a,b)};_.V=qMd;var gOc=Mmd(1823);n9c(676,1,Xyd,arb);_.tb=function(a){yQ(this.a.f,new pB(this.a.i,a))};var iOc=Mmd(676);n9c(1437,1,pHd,frb);_.ne=function(){var a,b,c,d,e;c=Vw(this.a);b=dsd(c.n);if(!b.a.sd()&&!Nr(cWb(c),b)){e=this.a.i;if(Sx(e.A)){if(dsd(c.p).b.vd()>1){return crb(this,null,drb(dsd(c.p)))}}else{a=new $s((qmd(),false));d=erb(this,e.A,a);if(!dsd(d.s).a.sd()){return crb(this,d,a.a)}}}return false};var kOc=Mmd(1437);n9c(1438,1,Xyd,grb);_.tb=function(a){yQ(this.a.a.f,new xA(this.a.a.i,a,this.b))};var jOc=Mmd(1438);n9c(622,1,pHd);var lOc=Mmd(622);n9c(1436,622,pHd,irb);_.ne=function(){var a,b;a=Vw(this.b);if(dsd(a.n).b.vd()>0&&dsd(a.k).b.vd()==1&&Q0b(dsd(a.k).a.zd(0))){b=xnb(this.c,sLb(this.a,a));if(b){bt(b,new arb(this.b));return true}}return false};var 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1 0 0 0 0 0 0 0 0 0\n 6.5679 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8554 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1429 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4250 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 1.3179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9982 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7161 2.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Arg\nM SAP 1 3 1 0 Al 10 0 Br 8 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nMgCl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 MgCl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClMg\nM END\n> \nMgCl\n\n> \nClMg\n\n$$$$\nc-C16H31\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 2.1434 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7183 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5182 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7432 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1683 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3932 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8183 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0433 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4684 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6685 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4435 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6436 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4187 -0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9936 0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7686 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3435 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 1 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 c-C16H31\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C16H31\n\n$$$$\nc-C3H5\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 c-C3H5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C3H5\n\n$$$$\nBTC\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BTC\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBTC\n\n$$$$\nCt\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ct\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nCt\n\n$$$$\nCOs-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COs-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuCO\nM END\n> \nCOs-Bu\n\n> \ns-BuCO\n\n$$$$\nC13H27\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 C13H27\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H27C13\nM END\n> \nC13H27\n\n> \nH27C13\n\n$$$$\nCy\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Cy\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCy\n\n$$$$\nPmc\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8545 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3848 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 2 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Pmc\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nPmc\n\n$$$$\nCe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Ce\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCe\n\n$$$$\n4Py\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 4Py\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n4Py\n\n$$$$\nC16H33\n Mrv15c7 12111511552D \n\n 16 15 0 0 0 0 999 V2000\n 5.9961 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2842 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7131 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 C16H33\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H33C16\nM END\n> \nC16H33\n\n> \nH33C16\n\n$$$$\nADRibof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADRibof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADRibof\n\n$$$$\ns-Butyl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-Butyl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Butyl\n\n$$$$\no-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 o-C6H4\nM SAP 1 2 2 0 1 1 0 2\nM SDS EXP 1 1\nM MJS SAT 1 o-C6H4\nM END\n> \no-C6H4\n\n> \no-C6H4\n\n$$$$\nCys\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Cys\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nSnMe3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SnMe3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3Sn\nM END\n> \nSnMe3\n\n> \nMe3Sn\n\n$$$$\nCyt\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Cyt\nM SAP 1 2 6 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nCyt\n\n$$$$\nBDAllos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDAllos\n\n$$$$\nEE\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 EE\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nEE\n\n$$$$\nOEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 OEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtO\nM END\n> \nOEt\n\n> \nEtO\n\n$$$$\nc-C7H13\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 c-C7H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C7H13\n\n$$$$\np-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 p-Tolyl\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \np-Tolyl\n\n$$$$\nOnPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OnPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 nPrO\nM END\n> \nOnPr\n\n> \nnPrO\n\n$$$$\nSi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Si-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrS\nM END\n> \nSi-Pr\n\n> \ni-PrS\n\n$$$$\nDPTBS\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 6 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 DPTBS\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nDPTBS\n\n$$$$\nNHAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmNH\nM END\n> \nNHAm\n\n> \nAmNH\n\n$$$$\nHmb\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Hmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nHmb\n\n$$$$\nU\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3819 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 5 14 1 6 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 U\nM SDS EXP 1 1\nM END\n> \nU\n\n$$$$\nAsu\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 2.1434 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Asu\nM SAP 1 2 1 0 1 11 0 2\nM SDS EXP 1 1\nM END\n> \nAsu\n\n$$$$\nEt\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Et\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nEt\n\n$$$$\nAsx\n Mrv15c7 12111511552D \n\n 8 7 1 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 5 F 2 7 8\nM ALS 5 2 F N O \nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asx\nM SAP 1 2 1 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADRibop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADRibop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADRibop\n\n$$$$\nZ\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Z\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nZ\n\n$$$$\nIps\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ips\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nIps\n\n$$$$\nNHBn\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NHBn\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnNH\nM END\n> \nNHBn\n\n> \nBnNH\n\n$$$$\nIPA\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 IPA\nM SDS EXP 1 1\nM END\n> \nIPA\n\n$$$$\nOBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuO\nM END\n> \nOBu\n\n> \nBuO\n\n$$$$\nc-Hx\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 c-Hx\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nc-Hx\n\n$$$$\nNHt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHt-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmNH\nM END\n> \nNHt-Am\n\n> \nt-AmNH\n\n$$$$\nn-Hex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-Hex\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Hex\n\n$$$$\nOBz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 OBz\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BzO\nM END\n> \nOBz\n\n> \nBzO\n\n$$$$\nNHBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuNH\nM END\n> \nNHBu\n\n> \nBuNH\n\n$$$$\nAsn\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asn\nM SAP 1 3 1 0 Al 7 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADFruct\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADFruct\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADFruct\n\n$$$$\nMgBr\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 MgBr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BrMg\nM END\n> \nMgBr\n\n> \nBrMg\n\n$$$$\nAsp\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asp\nM SAP 1 3 1 0 Al 7 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\niAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 iAm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \niAm\n\n$$$$\nFt\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n -1.4534 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6284 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3984 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3984 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Ft\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFt\n\n$$$$\nADIdose\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADIdose\n\n$$$$\nH2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 1.6500 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 H2\nM SDS EXP 1 1\nM END\n> \nH2\n\n$$$$\nOTBDMS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTBDMS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TBDMSO\nM END\n> \nOTBDMS\n\n> \nTBDMSO\n\n$$$$\nOPfp\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 OPfp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PfpO\nM END\n> \nOPfp\n\n> \nPfpO\n\n$$$$\nt-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-C4H9\n\n$$$$\nc-C20H39\n Mrv15c7 12111511552D \n\n 20 20 0 0 0 0 999 V2000\n 2.8579 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3743 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1897 2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4887 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9723 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2712 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7548 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0538 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5374 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8364 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3199 -3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5045 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2056 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3902 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0912 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6076 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3086 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8251 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5261 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0425 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 1 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 c-C20H39\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C20H39\n\n$$$$\niBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 iBu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \niBu\n\n$$$$\nPiv\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Piv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPiv\n\n$$$$\nProp\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Prop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nProp\n\n$$$$\nAmyl\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Amyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAmyl\n\n$$$$\nPic\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pic\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPic\n\n$$$$\nPCl5\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.4924 0.4849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5701 -0.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4924 -0.4849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5701 0.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 PCl5\nM SDS EXP 1 1\nM END\n> \nPCl5\n\n$$$$\nPiP\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.1105 -2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6039 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 2 0 0 0 0\nM CHG 3 1 -1 6 -1 7 -1\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PiP\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PPi\nM END\n> \nPiP\n\n> \nPPi\n\n$$$$\nC25H51\n Mrv15c7 12111511552D \n\n 25 24 0 0 0 0 999 V2000\n 12.8980 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3270 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0414 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7559 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4704 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1849 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8993 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6138 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3283 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0427 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7572 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4717 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1862 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9006 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.6151 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3296 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0440 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.7585 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4730 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.1874 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.9019 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.6164 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.3309 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.0453 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 C25H51\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H51C25\nM END\n> \nC25H51\n\n> \nH51C25\n\n$$$$\nPCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PCl3\nM SDS EXP 1 1\nM END\n> \nPCl3\n\n$$$$\nCOOAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmOOC\nM END\n> \nCOOAm\n\n> \nAmOOC\n\n$$$$\nAIBN\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 2.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -2.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 3 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 AIBN\nM SDS EXP 1 1\nM END\n> \nAIBN\n\n$$$$\nPht\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.4125 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Pht\nM SAP 1 2 2 0 1 9 0 2\nM SDS EXP 1 1\nM END\n> \nPht\n\n$$$$\nc-C18H35\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 2.5006 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9924 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1398 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6480 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9758 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4841 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3202 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5006 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0089 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8615 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3533 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0255 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5172 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6811 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 c-C18H35\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C18H35\n\n$$$$\nNHAc\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHAc\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AcNH\nM END\n> \nNHAc\n\n> \nAcNH\n\n$$$$\nm-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 m-Tol\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nm-Tol\n\n$$$$\nPhe\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7125 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7125 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Phe\nM SAP 1 2 1 0 Al 10 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADThreo\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ADThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADThreo\n\n$$$$\nH2SO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H2SO4\nM SDS EXP 1 1\nM END\n> \nH2SO4\n\n$$$$\nC8\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.0000 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4241 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1701 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8482 -0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5942 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2723 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0183 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 C8\nM SAP 1 2 1 0 1 8 0 2\nM SDS EXP 1 1\nM END\n> \nC8\n\n$$$$\nC7\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 C7\nM SAP 1 2 1 0 1 7 0 2\nM SDS EXP 1 1\nM END\n> \nC7\n\n$$$$\nC9\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 C9\nM SAP 1 2 1 0 1 9 0 2\nM SDS EXP 1 1\nM END\n> \nC9\n\n$$$$\nC4\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.0000 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 C4\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nC4\n\n$$$$\nC3\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 C3\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nC3\n\n$$$$\nC6\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.0000 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7571 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4195 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1766 -0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8390 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5961 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6\nM SAP 1 2 1 0 1 6 0 2\nM SDS EXP 1 1\nM END\n> \nC6\n\n$$$$\nC5\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 C5\nM SAP 1 2 1 0 1 5 0 2\nM SDS EXP 1 1\nM END\n> \nC5\n\n$$$$\nNHn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHn-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuNH\nM END\n> \nNHn-Bu\n\n> \nn-BuNH\n\n$$$$\ni-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 i-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-C4H9\n\n$$$$\nSO3H\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO3H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO3S\nM END\n> \nSO3H\n\n> \nHO3S\n\n$$$$\nCOOneoAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOneoAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmOOC\nM END\n> \nCOOneoAm\n\n> \nneoAmOOC\n\n$$$$\nBDThreo\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 BDThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDThreo\n\n$$$$\nAc\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Ac\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAc\n\n$$$$\nAd\n Mrv15c7 12111511552D \n\n 10 12 0 0 0 0 999 V2000\n 0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ad\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAd\n\n$$$$\nAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAm\n\n$$$$\nTacm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Tacm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTacm\n\n$$$$\nSuc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Suc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nSuc\n\n$$$$\nC2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 C2\nM SAP 1 2 1 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nC2\n\n$$$$\nc-C10H19\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 c-C10H19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C10H19\n\n$$$$\nOSiME3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OSiME3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiMe3O\nM END\n> \nOSiME3\n\n> \nSiMe3O\n\n$$$$\nPhF\n Mrv15c7 12111511552D \n\n 19 22 0 0 0 0 999 V2000\n 1.9339 -3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6484 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6484 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 7 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 PhF\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nPhF\n\n$$$$\n2-Fur\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 2-Fur\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \n2-Fur\n\n$$$$\nHis\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.8625 1.9393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 2.3518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8625 3.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 4 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 His\nM SAP 1 3 1 0 Al 9 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBu\n\n$$$$\nBt\n Mrv15c7 12111511552D \n\n 9 10 0 0 0 0 999 V2000\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 1 9 1 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Bt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBt\n\n$$$$\nBs\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Bs\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nBs\n\n$$$$\nNHn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHn-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmNH\nM END\n> \nNHn-Am\n\n> \nn-AmNH\n\n$$$$\nPfp\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Pfp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nPfp\n\n$$$$\nBz\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Bz\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBz\n\n$$$$\nc-C6H11\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 c-C6H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C6H11\n\n$$$$\nBDArabif\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDArabif\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDArabif\n\n$$$$\nSta\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -1.9393 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9339 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6464 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2214 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2214 0.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.9339 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5036 0.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.2143 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5036 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2143 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9268 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Sta\nM SAP 1 2 6 0 Al 10 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CO\nM SAP 1 2 1 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nCO\n\n$$$$\nBn\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Bn\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBn\n\n$$$$\nOn-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 On-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-PrO\nM END\n> \nOn-Pr\n\n> \nn-PrO\n\n$$$$\nBDArabip\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDArabip\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDArabip\n\n$$$$\nCN\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NC\nM END\n> \nCN\n\n> \nNC\n\n$$$$\nOSiEt3\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OSiEt3\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiEt3O\nM END\n> \nOSiEt3\n\n> \nSiEt3O\n\n$$$$\nTMAH\n Mrv15c7 12111511552D \n\n 6 4 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM CHG 2 2 1 6 -1\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 TMAH\nM SDS EXP 1 1\nM END\n> \nTMAH\n\n$$$$\nCO2neo-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2neo-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmO2C\nM END\n> \nCO2neo-Am\n\n> \nneo-AmO2C\n\n$$$$\nCOCl\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COCl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClCO\nM END\n> \nCOCl\n\n> \nClCO\n\n$$$$\nADArabip\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADArabip\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADArabip\n\n$$$$\nH2O2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 H2O2\nM SDS EXP 1 1\nM END\n> \nH2O2\n\n$$$$\nTec\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Tec\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nTec\n\n$$$$\ni-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 i-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-Am\n\n$$$$\nCOOEt\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COOEt\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtOOC\nM END\n> \nCOOEt\n\n> \nEtOOC\n\n$$$$\nLev\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Lev\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nLev\n\n$$$$\nLeu\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Leu\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADLyxof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADLyxof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADLyxof\n\n$$$$\nTcp\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Tcp\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nTcp\n\n$$$$\nCOCO\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COCO\nM SAP 1 2 3 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nCOCO\n\n$$$$\nN3\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 N3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nN3\n\n$$$$\nCOBr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COBr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BrCO\nM END\n> \nCOBr\n\n> \nBrCO\n\n$$$$\nN2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 N2\nM SDS EXP 1 1\nM END\n> \nN2\n\n$$$$\nCOBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuCO\nM END\n> \nCOBu\n\n> \nBuCO\n\n$$$$\nC23H47\n Mrv15c7 12111511552D \n\n 23 22 0 0 0 0 999 V2000\n 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3789 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 C23H47\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H47C23\nM END\n> \nC23H47\n\n> \nH47C23\n\n$$$$\nHcy\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Hcy\nM SAP 1 3 1 0 Al 6 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nMe\n Mrv15c7 12111511552D \n\n 1 0 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 1 1\nM SMT 1 Me\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMe\n\n$$$$\nCO2i-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2i-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmO2C\nM END\n> \nCO2i-Am\n\n> \ni-AmO2C\n\n$$$$\nADXylop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADXylop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADXylop\n\n$$$$\nEDC\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -3.0493 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6204 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 EDC\nM SDS EXP 1 1\nM END\n> \nEDC\n\n$$$$\nNC\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NC\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CN\nM END\n> \nNC\n\n> \nCN\n\n$$$$\nCOOBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuOOC\nM END\n> \nCOOBu\n\n> \nBuOOC\n\n$$$$\nCO2n-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2n-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuO2C\nM END\n> \nCO2n-Bu\n\n> \nn-BuO2C\n\n$$$$\nPcb\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pcb\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPcb\n\n$$$$\n4Abz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 4Abz\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \n4Abz\n\n$$$$\nneo-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neo-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneo-C5H11\n\n$$$$\nADXylof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADXylof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADXylof\n\n$$$$\nMs\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Ms\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nMs\n\n$$$$\nO2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 O2\nM SDS EXP 1 1\nM END\n> \nO2\n\n$$$$\nNO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ON\nM END\n> \nNO\n\n> \nON\n\n$$$$\nOK\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OK\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KO\nM END\n> \nOK\n\n> \nKO\n\n$$$$\nXan\n Mrv15c7 12111511552D \n\n 14 16 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 2 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Xan\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nXan\n\n$$$$\nADLyxop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADLyxop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADLyxop\n\n$$$$\nCOOBn\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 COOBn\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnOOC\nM END\n> \nCOOBn\n\n> \nBnOOC\n\n$$$$\nTrisyl\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 6 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 4 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 10 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Trisyl\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nTrisyl\n\n$$$$\nDMAP\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DMAP\nM SDS EXP 1 1\nM END\n> \nDMAP\n\n$$$$\nSiEt3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SiEt3\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et3Si\nM END\n> \nSiEt3\n\n> \nEt3Si\n\n$$$$\nDdz\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7309 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5559 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 7 10 2 0 0 0 0\n 3 10 1 0 0 0 0\n 5 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Ddz\nM SAP 1 1 15 0 1\nM SDS EXP 1 1\nM END\n> \nDdz\n\n$$$$\nNs\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Ns\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNs\n\n$$$$\nDPIPS\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 DPIPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDPIPS\n\n$$$$\nCO2n-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2n-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmO2C\nM END\n> \nCO2n-Am\n\n> \nn-AmO2C\n\n$$$$\nDSorbo\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DSorbo\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDSorbo\n\n$$$$\nMEM\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 MEM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMEM\n\n$$$$\nNp\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Np\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nNp\n\n$$$$\nHex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Hex\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nHex\n\n$$$$\nKMnO4\n Mrv15c7 12111511552D \n\n 6 4 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 3 6 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 KMnO4\nM SDS EXP 1 1\nM END\n> \nKMnO4\n\n$$$$\nPbp\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Pbp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nPbp\n\n$$$$\nDRibul\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DRibul\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDRibul\n\n$$$$\nC3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 C3H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H7C3\nM END\n> \nC3H7\n\n> \nH7C3\n\n$$$$\ni-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 i-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-Bu\n\n$$$$\nVal\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Val\nM SAP 1 2 5 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nDIAD\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 9 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DIAD\nM SDS EXP 1 1\nM END\n> \nDIAD\n\n$$$$\nMe3N\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Me3N\nM SDS EXP 1 1\nM END\n> \nMe3N\n\n$$$$\nPbf\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7798 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6818 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6818 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4223 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 5 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pbf\nM SAP 1 1 15 0 1\nM SDS EXP 1 1\nM END\n> \nPbf\n\n$$$$\nDde\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dde\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDde\n\n$$$$\nNHiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmNH\nM END\n> \nNHiAm\n\n> \niAmNH\n\n$$$$\nOCN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 OCN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NCO\nM END\n> \nOCN\n\n> \nNCO\n\n$$$$\nOBn\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OBn\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnO\nM END\n> \nOBn\n\n> \nBnO\n\n$$$$\nc-C21H41\n Mrv15c7 12111511552D \n\n 21 21 0 0 0 0 999 V2000\n 3.3596 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9899 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6909 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4939 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8853 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4504 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8400 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4050 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7947 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3597 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5351 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1002 -3.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2756 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8860 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3209 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9313 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3662 -0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9766 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4115 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0219 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4569 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 1 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 c-C21H41\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C21H41\n\n$$$$\nDTagat\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DTagat\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDTagat\n\n$$$$\nc-C25H49\n Mrv15c7 12111511552D \n\n 25 25 0 0 0 0 999 V2000\n 4.0795 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7073 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4104 3.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2171 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6122 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1806 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5736 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1419 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5349 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1032 -1.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4962 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0645 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2398 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8081 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9834 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5904 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0221 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6291 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0608 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6678 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0995 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7065 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1382 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7452 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1769 3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 1 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 c-C25H49\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C25H49\n\n$$$$\nI2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 I2\nM SDS EXP 1 1\nM END\n> \nI2\n\n$$$$\nOTIPS\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTIPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TIPSO\nM END\n> \nOTIPS\n\n> \nTIPSO\n\n$$$$\nCO2tAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2tAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmO2C\nM END\n> \nCO2tAm\n\n> \ntAmO2C\n\n$$$$\nPac\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Pac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPac\n\n$$$$\nOH2+\n Mrv15c7 12111511552D \n\n 1 0 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 1\nM STY 1 1 SUP\nM SAL 1 1 1\nM SMT 1 OH2+\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 +H2O\nM END\n> \nOH2+\n\n> \n+H2O\n\n$$$$\nOneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmO\nM END\n> \nOneoAm\n\n> \nneoAmO\n\n$$$$\nCPh3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 CPh3\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph3C\nM END\n> \nCPh3\n\n> \nPh3C\n\n$$$$\nPal\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pal\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nPal\n\n$$$$\nAc2O\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Ac2O\nM SDS EXP 1 1\nM END\n> \nAc2O\n\n$$$$\nBDLyxop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDLyxop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDLyxop\n\n$$$$\nNHt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHt-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuNH\nM END\n> \nNHt-Bu\n\n> \nt-BuNH\n\n$$$$\nOAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmO\nM END\n> \nOAm\n\n> \nAmO\n\n$$$$\n2ClZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 2ClZ\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \n2ClZ\n\n$$$$\nXaa\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Xaa\nM SAP 1 2 1 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Oi-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmO\nM END\n> \nOi-Am\n\n> \ni-AmO\n\n$$$$\nBDLyxof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDLyxof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDLyxof\n\n$$$$\nOAc\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OAc\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AcO\nM END\n> \nOAc\n\n> \nAcO\n\n$$$$\nOTos\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTos\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TosO\nM END\n> \nOTos\n\n> \nTosO\n\n$$$$\nMCA\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 7 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 3 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 MCA\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMCA\n\n$$$$\nDan\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 4 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dan\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDan\n\n$$$$\nIm\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Im\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nIm\n\n$$$$\nBam\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Bam\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBam\n\n$$$$\nFarnesyl\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Farnesyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFarnesyl\n\n$$$$\nc-C24H47\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7521 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 1 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 c-C24H47\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C24H47\n\n$$$$\nDRibos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DRibos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDRibos\n\n$$$$\nCO2tBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2tBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuO2C\nM END\n> \nCO2tBu\n\n> \ntBuO2C\n\n$$$$\nCO2i-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2i-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-BuO2C\nM END\n> \nCO2i-Bu\n\n> \ni-BuO2C\n\n$$$$\nt-Butyl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-Butyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-Butyl\n\n$$$$\nDErythu\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DErythu\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDErythu\n\n$$$$\nCOOn-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOn-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmOOC\nM END\n> \nCOOn-Am\n\n> \nn-AmOOC\n\n$$$$\nDEryth\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDEryth\n\n$$$$\nIBX\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n 0.4243 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4743 -2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 2 12 1 0 0 0 0\n 7 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 IBX\nM SDS EXP 1 1\nM END\n> \nIBX\n\n$$$$\nCONEt2\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CONEt2\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et2NCO\nM END\n> \nCONEt2\n\n> \nEt2NCO\n\n$$$$\nOTre\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OTre\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TreO\nM END\n> \nOTre\n\n> \nTreO\n\n$$$$\nt-C6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 t-C6H13\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nt-C6H13\n\n$$$$\nCOsBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COsBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuCO\nM END\n> \nCOsBu\n\n> \nsBuCO\n\n$$$$\nCOCF3\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COCF3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CF3CO\nM END\n> \nCOCF3\n\n> \nCF3CO\n\n$$$$\nCOOneo-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOneo-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmOOC\nM END\n> \nCOOneo-Am\n\n> \nneo-AmOOC\n\n$$$$\nDdiv\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Ddiv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDdiv\n\n$$$$\nTBAF\n Mrv15c7 12111511552D \n\n 18 16 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 F 0 5 0 0 0 0 0 0 0 0 0 0\n 3.4032 2.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 2.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 0.2942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.8321 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 -0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 -2.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0071 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5946 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7696 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3571 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6571 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0696 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6571 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM CHG 2 1 -1 6 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 TBAF\nM SDS EXP 1 1\nM END\n> \nTBAF\n\n$$$$\nTFMSA\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 TFMSA\nM SDS EXP 1 1\nM END\n> \nTFMSA\n\n$$$$\ncHx\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cHx\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncHx\n\n$$$$\nEDCI\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -3.0493 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6204 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 EDCI\nM SDS EXP 1 1\nM END\n> \nEDCI\n\n$$$$\nster\n Mrv15c7 12111511552D \n\n 17 20 0 0 0 0 999 V2000\n 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 10 15 1 0 0 0 0\n 7 16 1 0 0 0 0\n 3 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 ster\nM SDS EXP 1 1\nM END\n> \nster\n\n$$$$\nDIEA\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DIEA\nM SDS EXP 1 1\nM END\n> \nDIEA\n\n$$$$\nMOM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MOM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMOM\n\n$$$$\nSiMe3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SiMe3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3Si\nM END\n> \nSiMe3\n\n> \nMe3Si\n\n$$$$\nTosyl\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTosyl\n\n$$$$\ns-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 s-Am\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Am\n\n$$$$\nCOONa\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COONa\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaOOC\nM END\n> \nCOONa\n\n> \nNaOOC\n\n$$$$\nHSO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 1 3 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HSO4\nM SDS EXP 1 1\nM END\n> \nHSO4\n\n$$$$\nDmnb\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 3 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Dmnb\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nDmnb\n\n$$$$\nCOOn-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOn-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuOOC\nM END\n> \nCOOn-Bu\n\n> \nn-BuOOC\n\n$$$$\nCBr3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CBr3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Br3C\nM END\n> \nCBr3\n\n> \nBr3C\n\n$$$$\nDXylos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DXylos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDXylos\n\n$$$$\n4-OMe-Bz\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 4-OMe-Bz\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n4-OMe-Bz\n\n$$$$\nEDANS\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0329 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6829 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 5 14 1 0 0 0 0\n 10 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\n 15 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 EDANS\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nEDANS\n\n$$$$\nCOtBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuCO\nM END\n> \nCOtBu\n\n> \ntBuCO\n\n$$$$\nHMPA\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 HMPA\nM SDS EXP 1 1\nM END\n> \nHMPA\n\n$$$$\nTs\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ts\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTs\n\n$$$$\nTMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.1067 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6078 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6078 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 3.1152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 2.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.6548 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9097 1.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.4248 0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7347 1.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.2197 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8841 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3690 -1.0679 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8539 -1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7016 -1.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0365 -0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9897 1.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0367 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0367 4.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 5.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 12 15 2 0 0 0 0\n 9 16 1 0 0 0 0\n 5 16 1 0 0 0 0\n 4 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 2 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 TMP\nM SDS EXP 1 1\nM END\n> \nTMP\n\n$$$$\nTMT\n Mrv15c7 12111511552D \n\n 25 27 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5724 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 10 17 1 0 0 0 0\n 9 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 21 24 1 0 0 0 0\n 24 25 2 0 0 0 0\n 18 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 TMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nTMT\n\n$$$$\nTMS\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 TMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTMS\n\n$$$$\nm-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 m-Phenylene\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nm-Phenylene\n\n$$$$\nTf\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Tf\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTf\n\n$$$$\nAac\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Aac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAac\n\n$$$$\nDmoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Dmoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDmoc\n\n$$$$\nNva\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Nva\nM SAP 1 2 5 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nN+Me3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 1 2 1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 N+Me3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3N+\nM END\n> \nN+Me3\n\n> \nMe3N+\n\n$$$$\nCOOMe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COOMe\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeOOC\nM END\n> \nCOOMe\n\n> \nMeOOC\n\n$$$$\nSu\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Su\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nSu\n\n$$$$\nAbu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Abu\nM SAP 1 2 4 0 Al 5 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nC5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H11C5\nM END\n> \nC5H11\n\n> \nH11C5\n\n$$$$\nCl2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Cl2\nM SDS EXP 1 1\nM END\n> \nCl2\n\n$$$$\nNaph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Naph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNaph\n\n$$$$\nAbz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Abz\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nAbz\n\n$$$$\nAMCA\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 2 15 1 0 0 0 0\n 9 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 AMCA\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nAMCA\n\n$$$$\nDMF\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 DMF\nM SDS EXP 1 1\nM END\n> \nDMF\n\n$$$$\nDME\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DME\nM SDS EXP 1 1\nM END\n> \nDME\n\n$$$$\nOSu\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OSu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SuO\nM END\n> \nOSu\n\n> \nSuO\n\n$$$$\nDMA\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMA\nM SDS EXP 1 1\nM END\n> \nDMA\n\n$$$$\nAcN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 AcN\nM SDS EXP 1 1\nM END\n> \nAcN\n\n$$$$\nMMT\n Mrv15c7 12111511552D \n\n 21 23 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 MMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMMT\n\n$$$$\nBiotinyl\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n -3.8821 0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3301 0.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.9176 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1106 0.5655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0244 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -1.3099 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5955 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1190 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8335 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5480 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2624 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7781 -0.5905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.2260 -1.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1906 -1.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9975 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6106 -1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0838 -0.3130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 5 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 12 13 1 6 0 0 0\n 12 14 1 1 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 1 0 0 0 0\n 2 17 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Biotinyl\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nBiotinyl\n\n$$$$\nc-C12H23\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 c-C12H23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C12H23\n\n$$$$\nDMS\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 DMS\nM SDS EXP 1 1\nM END\n> \nDMS\n\n$$$$\nDMT\n Mrv15c7 12111511552D \n\n 23 25 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 16 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 DMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMT\n\n$$$$\nOTf\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTf\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TfO\nM END\n> \nOTf\n\n> \nTfO\n\n$$$$\nOTs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TsO\nM END\n> \nOTs\n\n> \nTsO\n\n$$$$\nEsc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 4.5375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Esc\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nEsc\n\n$$$$\nC4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H9C4\nM END\n> \nC4H9\n\n> \nH9C4\n\n$$$$\nAcm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Acm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAcm\n\n$$$$\nSs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ss-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmS\nM END\n> \nSs-Am\n\n> \ns-AmS\n\n$$$$\nTHP\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 THP\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTHP\n\n$$$$\nMTBE\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 MTBE\nM SDS EXP 1 1\nM END\n> \nMTBE\n\n$$$$\ncyclobutyl\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 cyclobutyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclobutyl\n\n$$$$\nCONMe2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CONMe2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me2NCO\nM END\n> \nCONMe2\n\n> \nMe2NCO\n\n$$$$\nn-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 n-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C5H11\n\n$$$$\nTHF\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 THF\nM SDS EXP 1 1\nM END\n> \nTHF\n\n$$$$\nCH2CH2Ph\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CH2CH2Ph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhCh2CH2\nM END\n> \nCH2CH2Ph\n\n> \nPhCh2CH2\n\n$$$$\nPv\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Pv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPv\n\n$$$$\nPr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Pr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPr\n\n$$$$\n2BrZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 2BrZ\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \n2BrZ\n\n$$$$\nSer\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ser\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nAde\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 2.7600 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0673 -1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3329 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1208 -2.4452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2970 -2.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6402 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6819 -0.3759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4163 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1090 -0.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ade\nM SAP 1 2 6 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nAde\n\n$$$$\nNHs-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHs-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuNH\nM END\n> \nNHs-Bu\n\n> \ns-BuNH\n\n$$$$\nDGalac\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDGalac\n\n$$$$\nPy\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Py\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPy\n\n$$$$\nGua\n Mrv15c7 12111511552D \n\n 11 12 0 0 0 0 999 V2000\n 3.4524 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7168 -2.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0255 -2.4714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2899 -2.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2455 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4484 -1.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5201 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9368 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8925 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6724 -1.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 4 8 1 0 0 0 0\n 5 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Gua\nM SAP 1 2 8 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nGua\n\n$$$$\nSO2Ph\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 SO2Ph\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhSO2\nM END\n> \nSO2Ph\n\n> \nPhSO2\n\n$$$$\nC24H49\n Mrv15c7 12111511552D \n\n 24 23 0 0 0 0 999 V2000\n 10.9461 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3789 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 C24H49\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H49C24\nM END\n> \nC24H49\n\n> \nH49C24\n\n$$$$\nAlloc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Alloc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nAlloc\n\n$$$$\nCOOPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrOOC\nM END\n> \nCOOPr\n\n> \nPrOOC\n\n$$$$\nCONH2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CONH2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NH2CO\nM END\n> \nCONH2\n\n> \nNH2CO\n\n$$$$\nPh\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPh\n\n$$$$\nc-C14H27\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.7862 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3263 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4064 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8664 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5963 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7862 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2461 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1659 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7060 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9760 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 1 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 c-C14H27\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C14H27\n\n$$$$\nPyl\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 1.6071 -1.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9911 -1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.1875 -1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2250 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3268 0.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0768 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.7946 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7946 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5071 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2196 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6500 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3625 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0804 0.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 6.0804 0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7929 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5107 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 1 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 6 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pyl\nM SAP 1 2 15 0 Al 16 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nn-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 n-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C4H9\n\n$$$$\nCO2iPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2iPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrO2C\nM END\n> \nCO2iPr\n\n> \niPrO2C\n\n$$$$\nDansyl\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 4 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dansyl\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDansyl\n\n$$$$\nAlCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 AlCl3\nM SDS EXP 1 1\nM END\n> \nAlCl3\n\n$$$$\nDHP\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DHP\nM SDS EXP 1 1\nM END\n> \nDHP\n\n$$$$\nOiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrO\nM END\n> \nOiPr\n\n> \niPrO\n\n$$$$\nPOCl3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POCl3\nM SDS EXP 1 1\nM END\n> \nPOCl3\n\n$$$$\nNaNO2\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NaNO2\nM SDS EXP 1 1\nM END\n> \nNaNO2\n\n$$$$\nNaNO3\n Mrv15c7 12111511552D \n\n 5 3 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM CHG 4 1 1 2 -1 3 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NaNO3\nM SDS EXP 1 1\nM END\n> \nNaNO3\n\n$$$$\nTFE\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 TFE\nM SDS EXP 1 1\nM END\n> \nTFE\n\n$$$$\nCOOPh\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 COOPh\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhOOC\nM END\n> \nCOOPh\n\n> \nPhOOC\n\n$$$$\nDIC\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DIC\nM SDS EXP 1 1\nM END\n> \nDIC\n\n$$$$\nNpys\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Npys\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nNpys\n\n$$$$\nSs-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ss-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuS\nM END\n> \nSs-Bu\n\n> \ns-BuS\n\n$$$$\nTES\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TES\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nTES\n\n$$$$\nSK\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SK\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KS\nM END\n> \nSK\n\n> \nKS\n\n$$$$\nSec\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sec\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCOEt\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtCO\nM END\n> \nCOEt\n\n> \nEtCO\n\n$$$$\nIndole\n Mrv15c7 12111511552D \n\n 9 10 0 0 0 0 999 V2000\n -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Indole\nM SDS EXP 1 1\nM END\n> \nIndole\n\n$$$$\nNHs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHs-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmNH\nM END\n> \nNHs-Am\n\n> \ns-AmNH\n\n$$$$\nCOOtAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOtAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmOOC\nM END\n> \nCOOtAm\n\n> \ntAmOOC\n\n$$$$\nOMs\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OMs\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MsO\nM END\n> \nOMs\n\n> \nMsO\n\n$$$$\nC12H25\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 3.5211 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 C12H25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H25C12\nM END\n> \nC12H25\n\n> \nH25C12\n\n$$$$\nKOH\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 KOH\nM SDS EXP 1 1\nM END\n> \nKOH\n\n$$$$\ni-Pr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 i-Pr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ni-Pr\n\n$$$$\nSO2Cl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO2Cl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClSO2\nM END\n> \nSO2Cl\n\n> \nClSO2\n\n$$$$\ntAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 tAm\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \ntAm\n\n$$$$\nt-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-Bu\n\n$$$$\nCOSH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COSH\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HSCO\nM END\n> \nCOSH\n\n> \nHSCO\n\n$$$$\nNle\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Nle\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeO\nM END\n> \nOMe\n\n> \nMeO\n\n$$$$\nCpm\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.2382 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Cpm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCpm\n\n$$$$\nTcboc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tcboc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTcboc\n\n$$$$\nUra\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ura\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nUra\n\n$$$$\nBenzyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Benzyl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBenzyl\n\n$$$$\nONp\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\nM CHG 2 8 1 9 -1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ONp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NpO\nM END\n> \nONp\n\n> \nNpO\n\n$$$$\nSneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmS\nM END\n> \nSneoAm\n\n> \nneoAmS\n\n$$$$\nONa\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 ONa\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaO\nM END\n> \nONa\n\n> \nNaO\n\n$$$$\ni-C3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 i-C3H7\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ni-C3H7\n\n$$$$\ntBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 tBu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ntBu\n\n$$$$\nBDEryth\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 BDEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDEryth\n\n$$$$\nMDPS\n Mrv15c7 12111511552D \n\n 14 15 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 9 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 MDPS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nMDPS\n\n$$$$\nBhoc\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 4 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Bhoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBhoc\n\n$$$$\nCO2n-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2n-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-PrO2C\nM END\n> \nCO2n-Pr\n\n> \nn-PrO2C\n\n$$$$\nt-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-Am\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nt-Am\n\n$$$$\nPro\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n -0.1446 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pro\nM SAP 1 2 7 0 Al 2 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nAcet\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Acet\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAcet\n\n$$$$\nEtOH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 EtOH\nM SDS EXP 1 1\nM END\n> \nEtOH\n\n$$$$\nOMe3Si\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OMe3Si\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiMe3O\nM END\n> \nOMe3Si\n\n> \nSiMe3O\n\n$$$$\nTIPS\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 TIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nTIPS\n\n$$$$\nBDGulos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGulos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGulos\n\n$$$$\nCOPh\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COPh\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhCO\nM END\n> \nCOPh\n\n> \nPhCO\n\n$$$$\nBDGluco\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGluco\n\n$$$$\nCOPr\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrCO\nM END\n> \nCOPr\n\n> \nPrCO\n\n$$$$\nH3PO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H3PO4\nM SDS EXP 1 1\nM END\n> \nH3PO4\n\n$$$$\nNMe2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NMe2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me2N\nM END\n> \nNMe2\n\n> \nMe2N\n\n$$$$\n4BrZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 4BrZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n4BrZ\n\n$$$$\nDPsico\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DPsico\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDPsico\n\n$$$$\ns-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 s-C5H11\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-C5H11\n\n$$$$\nBDXylof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDXylof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDXylof\n\n$$$$\nC6H5\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6H5\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nC6H5\n\n$$$$\nAla\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 6 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ala\nM SAP 1 2 3 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOLi\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OLi\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 LiO\nM END\n> \nOLi\n\n> \nLiO\n\n$$$$\nCO2iBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2iBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iBuO2C\nM END\n> \nCO2iBu\n\n> \niBuO2C\n\n$$$$\nC7H15\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 C7H15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H15C7\nM END\n> \nC7H15\n\n> \nH15C7\n\n$$$$\nBDXylop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDXylop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDXylop\n\n$$$$\nMTM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MTM\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMTM\n\n$$$$\nc-C17H33\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 2.6371 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2708 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9690 1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7669 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1531 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7137 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0987 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 -1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8348 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3954 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1860 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6255 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2405 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6799 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7343 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 c-C17H33\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C17H33\n\n$$$$\nHClO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HClO4\nM SDS EXP 1 1\nM END\n> \nHClO4\n\n$$$$\nAMP\n Mrv15c7 12111511552D \n\n 23 25 0 0 1 0 999 V2000\n 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7846 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7846 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0396 1.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.8242 2.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8242 2.9445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -2.4916 3.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4054 4.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0728 4.7348 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7403 5.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5879 5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5577 4.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0396 3.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7846 3.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5546 2.5320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.2704 2.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 7 6 1 6 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 12 15 2 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 16 18 1 0 0 0 0\n 7 18 1 0 0 0 0\n 18 19 1 1 0 0 0\n 6 20 1 0 0 0 0\n 3 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 2 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 AMP\nM SDS EXP 1 1\nM END\n> \nAMP\n\n$$$$\nAll\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 All\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAll\n\n$$$$\nNps\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Nps\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNps\n\n$$$$\ns-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-C4H9\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-C4H9\n\n$$$$\nCO2iAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2iAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmO2C\nM END\n> \nCO2iAm\n\n> \niAmO2C\n\n$$$$\nOs-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Os-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuO\nM END\n> \nOs-Bu\n\n> \ns-BuO\n\n$$$$\nMSM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MSM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMSM\n\n$$$$\nCOOK\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COOK\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KOOC\nM END\n> \nCOOK\n\n> \nKOOC\n\n$$$$\nCOOH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COOH\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HOOC\nM END\n> \nCOOH\n\n> \nHOOC\n\n$$$$\nNpe\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\nM CHG 2 9 1 10 -1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Npe\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNpe\n\n$$$$\nCOiPr\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrCO\nM END\n> \nCOiPr\n\n> \niPrCO\n\n$$$$\nDNPS\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\nM CHG 4 1 -1 2 1 11 1 12 -1\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 DNPS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nDNPS\n\n$$$$\nTPP\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM CHG 1 7 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 TPP\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTPP\n\n$$$$\nHippuryl\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Hippuryl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nHippuryl\n\n$$$$\ncycloheptyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 cycloheptyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncycloheptyl\n\n$$$$\nC16\n Mrv15c7 12111511552D \n\n 16 15 0 0 0 0 999 V2000\n 0.0000 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7298 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4279 -0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1577 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8558 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5856 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2837 -0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0135 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7115 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4413 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1394 -0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8692 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5673 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2971 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9952 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7250 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 C16\nM SAP 1 2 1 0 1 16 0 2\nM SDS EXP 1 1\nM END\n> \nC16\n\n$$$$\nC17\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 C17\nM SAP 1 2 1 0 1 17 0 2\nM SDS EXP 1 1\nM END\n> \nC17\n\n$$$$\nC18\n Mrv15c7 12111511552D \n\n 18 17 0 0 0 0 999 V2000\n 0.0000 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7281 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4281 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1562 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8562 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5843 -0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2844 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0124 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7125 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4405 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1406 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8687 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5687 -0.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2968 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9968 -0.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7249 -0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4249 -0.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1530 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 C18\nM SAP 1 2 1 0 1 18 0 2\nM SDS EXP 1 1\nM END\n> \nC18\n\n$$$$\nC19\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 C19\nM SAP 1 2 1 0 1 19 0 2\nM SDS EXP 1 1\nM END\n> \nC19\n\n$$$$\nCoA\n Mrv15c7 12111511552D \n\n 48 50 0 0 1 0 999 V2000\n 5.9065 -7.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3190 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7315 -5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6045 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8900 -6.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1755 -6.2957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7630 -7.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5880 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4611 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7466 -6.2957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1591 -7.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3341 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0321 -6.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3177 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6032 -6.7082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.5169 -7.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2900 -7.7002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7025 -6.9857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.5230 -6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1505 -6.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3220 -5.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2911 -5.0136 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8431 -5.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2610 -4.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9042 -4.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6256 -8.4539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2131 -9.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7651 -9.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5188 -9.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2725 -9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3587 -10.6019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9399 -9.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8537 -8.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1000 -8.1405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4326 -8.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0334 -7.1207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 7.0334 -7.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7479 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7479 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4624 -7.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1768 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8913 -7.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6058 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6058 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3202 -7.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0347 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7492 -7.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4637 -6.7082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 15 14 1 1 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 6 0 0 0\n 18 20 1 0 0 0 0\n 15 20 1 0 0 0 0\n 20 21 1 6 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 2 0 0 0 0\n 17 26 1 1 0 0 0\n 26 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 2 0 0 0 0\n 26 35 1 0 0 0 0\n 29 35 1 0 0 0 0\n 2 36 1 0 0 0 0\n 36 37 1 6 0 0 0\n 36 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 38 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 2 0 0 0 0\n 43 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45\nM SAL 1 3 46 47 48\nM SMT 1 CoA\nM SAP 1 1 48 0 1\nM SDS EXP 1 1\nM END\n> \nCoA\n\n$$$$\ntHex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 tHex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ntHex\n\n$$$$\nGln\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Gln\nM SAP 1 3 1 0 Al 8 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nC10\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7394 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4260 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1654 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8520 -0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5914 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2780 -0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0174 -0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7040 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4435 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 C10\nM SAP 1 2 1 0 1 10 0 2\nM SDS EXP 1 1\nM END\n> \nC10\n\n$$$$\nGlp\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.2804 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3321 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Glp\nM SAP 1 2 8 0 Al 1 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nBOP\n Mrv15c7 12111511552D \n\n 27 27 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 -0.8764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 -0.7049 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 5.3481 -0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6031 0.2513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1181 0.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6031 1.5861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3877 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1022 1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8166 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8166 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1022 0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3877 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7127 -1.5119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4973 -1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0996 -2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3696 0.1021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9827 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5850 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 13 21 1 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 11 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\nM CHG 2 2 -1 11 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27\nM SMT 1 BOP\nM SDS EXP 1 1\nM END\n> \nBOP\n\n$$$$\nC11\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 C11\nM SAP 1 2 1 0 1 11 0 2\nM SDS EXP 1 1\nM END\n> \nC11\n\n$$$$\nOi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Oi-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrO\nM END\n> \nOi-Pr\n\n> \ni-PrO\n\n$$$$\nC12\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 0.0000 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7351 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4270 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1621 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8540 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5891 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2809 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0160 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7079 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4430 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8700 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 C12\nM SAP 1 2 1 0 1 12 0 2\nM SDS EXP 1 1\nM END\n> \nC12\n\n$$$$\nC13\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 C13\nM SAP 1 2 1 0 1 13 0 2\nM SDS EXP 1 1\nM END\n> \nC13\n\n$$$$\nC14\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 0.0000 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4275 -0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1596 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8551 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5871 -0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2826 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0147 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7101 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4422 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1377 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8697 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5652 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2973 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 C14\nM SAP 1 2 1 0 1 14 0 2\nM SDS EXP 1 1\nM END\n> \nC14\n\n$$$$\nC20H41\n Mrv15c7 12111511552D \n\n 20 19 0 0 0 0 999 V2000\n 8.4711 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4737 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1881 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6171 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3315 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 C20H41\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H41C20\nM END\n> \nC20H41\n\n> \nH41C20\n\n$$$$\nC15\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 C15\nM SAP 1 2 1 0 1 15 0 2\nM SDS EXP 1 1\nM END\n> \nC15\n\n$$$$\nGlu\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Glu\nM SAP 1 3 1 0 Al 8 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nGlx\n Mrv15c7 12111511552D \n\n 9 8 1 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 6 F 2 7 8\nM ALS 6 2 F N O \nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Glx\nM SAP 1 2 1 0 Al 8 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADTagat\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADTagat\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADTagat\n\n$$$$\nGly\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Gly\nM SAP 1 2 1 0 Al 3 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nDXylul\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DXylul\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDXylul\n\n$$$$\nCH2CH3\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CH2CH3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CH3CH2\nM END\n> \nCH2CH3\n\n> \nCH3CH2\n\n$$$$\no-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 o-Phenylene\nM SAP 1 2 2 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \no-Phenylene\n\n$$$$\nADAltro\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAltro\n\n$$$$\nCOOiPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOiPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrOOC\nM END\n> \nCOOiPr\n\n> \niPrOOC\n\n$$$$\nC25\n Mrv15c7 12111511552D \n\n 25 24 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0039 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4328 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 C25\nM SAP 1 2 1 0 1 25 0 2\nM SDS EXP 1 1\nM END\n> \nC25\n\n$$$$\nC23\n Mrv15c7 12111511552D \n\n 23 22 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0039 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 C23\nM SAP 1 2 1 0 1 23 0 2\nM SDS EXP 1 1\nM END\n> \nC23\n\n$$$$\nC24\n Mrv15c7 12111511552D \n\n 24 23 0 0 0 0 999 V2000\n 0.0000 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7246 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4285 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1531 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8570 -0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5816 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2855 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0101 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7140 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4386 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1425 -0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8671 -0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5710 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2955 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9994 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7240 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4279 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1525 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8564 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5810 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2849 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0095 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7134 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4380 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 C24\nM SAP 1 2 1 0 1 24 0 2\nM SDS EXP 1 1\nM END\n> \nC24\n\n$$$$\nCOMU\n Mrv15c7 12111511552D \n\n 27 26 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 3.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 3.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0218 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3073 2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0218 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 0.5775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -1.4850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -0.2475 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 6.8797 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3073 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5929 0.1650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 17 22 1 0 0 0 0\n 16 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 1 0 0 0 0\n 13 26 1 0 0 0 0\n 26 27 3 0 0 0 0\nM CHG 2 2 -1 23 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27\nM SMT 1 COMU\nM SDS EXP 1 1\nM END\n> \nCOMU\n\n$$$$\nC21\n Mrv15c7 12111511552D \n\n 21 20 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 C21\nM SAP 1 2 1 0 1 21 0 2\nM SDS EXP 1 1\nM END\n> \nC21\n\n$$$$\nC22\n Mrv15c7 12111511552D \n\n 22 21 0 0 0 0 999 V2000\n 0.0000 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7255 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4284 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1539 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8568 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5823 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2852 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0107 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7136 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4391 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1420 -0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8675 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5704 -0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2960 -0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9988 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7244 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4272 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1528 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8556 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5812 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2840 -0.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0096 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 C22\nM SAP 1 2 1 0 1 22 0 2\nM SDS EXP 1 1\nM END\n> \nC22\n\n$$$$\nC20\n Mrv15c7 12111511552D \n\n 20 19 0 0 0 0 999 V2000\n 0.0000 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7267 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4283 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1550 -0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8566 -0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5832 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2848 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0115 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7131 -0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4398 -0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1414 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8681 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5697 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2964 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9980 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7246 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4263 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1529 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8545 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5812 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 C20\nM SAP 1 2 1 0 1 20 0 2\nM SDS EXP 1 1\nM END\n> \nC20\n\n$$$$\nCOOtBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOtBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuOOC\nM END\n> \nCOOtBu\n\n> \ntBuOOC\n\n$$$$\np-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 p-C6H4\nM SAP 1 2 4 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \np-C6H4\n\n$$$$\nTNP\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 6 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\nM CHG 6 1 -1 2 1 10 1 11 -1 13 1 14 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 TNP\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTNP\n\n$$$$\nAoa\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.5401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8064 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Aoa\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nAoa\n\n$$$$\nPoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Poc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nPoc\n\n$$$$\nHATU\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3112 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -1.3645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.5411 -2.1492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5807 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5807 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 -1.5221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0932 1.3680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 5.9002 1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8382 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\nM CHG 4 2 -1 14 1 15 -1 22 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 HATU\nM SDS EXP 1 1\nM END\n> \nHATU\n\n$$$$\n2-OHEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 2-OHEt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n2-OHEt\n\n$$$$\nCpe\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Cpe\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCpe\n\n$$$$\nOPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrO\nM END\n> \nOPr\n\n> \nPrO\n\n$$$$\nPhacm\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Phacm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPhacm\n\n$$$$\no-Nos\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 o-Nos\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \no-Nos\n\n$$$$\nt-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-C5H11\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nt-C5H11\n\n$$$$\nOleoyl\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n -1.2888 7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5743 7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5743 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1401 5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1401 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8546 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8546 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5691 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Oleoyl\nM SAP 1 1 18 0 1\nM SDS EXP 1 1\nM END\n> \nOleoyl\n\n$$$$\nN2+\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM CHG 1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 N2+\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nN2+\n\n$$$$\nTroc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Troc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTroc\n\n$$$$\nOPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 OPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhO\nM END\n> \nOPh\n\n> \nPhO\n\n$$$$\nBDIdose\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDIdose\n\n$$$$\nCOMe\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeCO\nM END\n> \nCOMe\n\n> \nMeCO\n\n$$$$\nMPM\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 MPM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMPM\n\n$$$$\nOs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Os-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmO\nM END\n> \nOs-Am\n\n> \ns-AmO\n\n$$$$\nN+Et4\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 N+Et4\nM SDS EXP 1 1\nM MJS SAT 1 Et4N+\nM END\n> \nN+Et4\n\n> \nEt4N+\n\n$$$$\nSMPT\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.2700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5401 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3502 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6203 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4304 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9705 -1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7806 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0507 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7004 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8903 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 SMPT\nM SAP 1 2 3 0 1 8 0 2\nM SDS EXP 1 1\nM END\n> \nSMPT\n\n$$$$\nN+Et3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 N+Et3\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et3N+\nM END\n> \nN+Et3\n\n> \nEt3N+\n\n$$$$\nNHi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHi-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrNH\nM END\n> \nNHi-Pr\n\n> \ni-PrNH\n\n$$$$\nCeoc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 -1.0164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Ceoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nCeoc\n\n$$$$\nBum\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Bum\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBum\n\n$$$$\nNHneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmNH\nM END\n> \nNHneo-Am\n\n> \nneo-AmNH\n\n$$$$\nCOOiAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOiAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmOOC\nM END\n> \nCOOiAm\n\n> \niAmOOC\n\n$$$$\nPF6\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\nM CHG 1 2 -1\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 PF6\nM SDS EXP 1 1\nM END\n> \nPF6\n\n$$$$\nDManno\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDManno\n\n$$$$\np-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 p-Phenylene\nM SAP 1 2 4 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \np-Phenylene\n\n$$$$\nBtm\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Btm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBtm\n\n$$$$\nc-C9H17\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 1.1333 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9086 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3211 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1778 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5458 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7208 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0888 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0544 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3581 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 c-C9H17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C9H17\n\n$$$$\nTyr\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n -0.7125 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7125 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Tyr\nM SAP 1 3 1 0 Al 11 0 Br 8 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCOOiBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOiBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iBuOOC\nM END\n> \nCOOiBu\n\n> \niBuOOC\n\n$$$$\nNpes\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\n 7 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 4 14 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Npes\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNpes\n\n$$$$\nDTBS\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 DTBS\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nDTBS\n\n$$$$\nIle\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ile\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\n1-Naph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 1-Naph\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n1-Naph\n\n$$$$\nPyBOP\n Mrv15c7 12111511552D \n\n 33 36 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3537 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8966 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5097 -0.6791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1742 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3167 -0.5076 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 6.1237 -0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3786 0.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8937 1.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3786 1.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1632 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8777 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5922 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5922 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8777 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1632 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4882 -1.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2419 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1556 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3487 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9362 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1452 0.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3915 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4777 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2847 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6972 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 15 23 1 0 0 0 0\n 18 23 1 0 0 0 0\n 13 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 24 28 1 0 0 0 0\n 13 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 29 33 1 0 0 0 0\nM CHG 2 2 -1 13 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 3 31 32 33\nM SMT 1 PyBOP\nM SDS EXP 1 1\nM END\n> \nPyBOP\n\n$$$$\nPI3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PI3\nM SDS EXP 1 1\nM END\n> \nPI3\n\n$$$$\nADManno\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADManno\n\n$$$$\nt-Hex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 t-Hex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nt-Hex\n\n$$$$\ndA\n Mrv15c7 12111511552D \n\n 21 23 0 0 1 0 999 V2000\n 0.6659 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6979 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4279 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2020 -0.9236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7125 -1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2538 -2.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5390 -3.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.3330 -3.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3650 -4.0803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.0507 -4.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9964 -5.3622 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6822 -5.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2563 -5.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5908 -4.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.3666 -5.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5669 -5.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0804 -3.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4599 -2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7620 -2.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0320 -2.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.2643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 7 6 1 1 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 1 1 0 0 0\n 15 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 7 17 1 0 0 0 0\n 6 18 1 0 0 0 0\n 3 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 2 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 dA\nM SAP 1 2 16 0 1 11 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndA\n\n$$$$\ndC\n Mrv15c7 12111511552D \n\n 19 20 0 0 1 0 999 V2000\n 0.2426 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5278 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3408 -0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6260 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4391 -1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0982 -2.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2852 -2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3834 -3.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1774 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2094 -4.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.8951 -4.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8408 -5.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5266 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1007 -5.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4353 -4.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2110 -5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4113 -5.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9248 -3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 9 6 1 1 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 17 18 1 0 0 0 0\n 16 19 1 0 0 0 0\n 9 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 dC\nM SAP 1 2 18 0 1 13 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndC\n\n$$$$\nOTMS\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OTMS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TMSO\nM END\n> \nOTMS\n\n> \nTMSO\n\n$$$$\nBzh\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Bzh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBzh\n\n$$$$\nBzl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Bzl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBzl\n\n$$$$\nBDPsico\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDPsico\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDPsico\n\n$$$$\nDIPEA\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DIPEA\nM SDS EXP 1 1\nM END\n> \nDIPEA\n\n$$$$\nring25\n Mrv15c7 12111511552D \n\n 25 25 0 0 0 0 999 V2000\n 4.0795 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7073 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4104 3.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2171 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6122 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1806 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5736 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1419 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5349 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1032 -1.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4962 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0645 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2398 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8081 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9834 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5904 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0221 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6291 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0608 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6678 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0995 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7065 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1382 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7452 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1769 3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 1 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 ring25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring25\n\n$$$$\nring24\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7521 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 1 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 ring24\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring24\n\n$$$$\nring23\n Mrv15c7 12111511552D \n\n 23 23 0 0 0 0 999 V2000\n 3.7198 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3672 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0536 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1950 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7373 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1029 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6452 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0108 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5531 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9187 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4610 -3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6377 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2721 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4489 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0833 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5409 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1753 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6330 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2674 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7251 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3595 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8172 2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 1 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 ring23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring23\n\n$$$$\nring22\n Mrv15c7 12111511552D \n\n 22 22 0 0 0 0 999 V2000\n 3.2151 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6850 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8595 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3897 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7421 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2722 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6246 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1548 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0373 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2151 -2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7453 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5707 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0405 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6882 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1580 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8056 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2755 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3929 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 1 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 ring22\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring22\n\n$$$$\nring20\n Mrv15c7 12111511552D \n\n 20 20 0 0 0 0 999 V2000\n 2.8579 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3743 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1897 2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4887 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9723 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2712 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7548 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0538 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5374 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8364 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3199 -3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5045 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2056 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3902 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0912 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6076 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3086 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8251 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5261 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0425 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 1 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 ring20\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring20\n\n$$$$\nCO2i-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2i-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrO2C\nM END\n> \nCO2i-Pr\n\n> \ni-PrO2C\n\n$$$$\nring21\n Mrv15c7 12111511552D \n\n 21 21 0 0 0 0 999 V2000\n 3.3596 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9899 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6909 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4939 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8853 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4504 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8400 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4050 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7947 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3597 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5351 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1002 -3.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2756 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8860 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3209 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9313 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3662 -0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9766 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4115 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0219 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4569 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 1 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 ring21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring21\n\n$$$$\nDPPA\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 2.3645 0.1914 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.5230 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 4 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 DPPA\nM SDS EXP 1 1\nM END\n> \nDPPA\n\n$$$$\nCOt-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COt-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuCO\nM END\n> \nCOt-Bu\n\n> \nt-BuCO\n\n$$$$\nc-C4H7\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 c-C4H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C4H7\n\n$$$$\n3Py\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 3Py\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \n3Py\n\n$$$$\nNHneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmNH\nM END\n> \nNHneoAm\n\n> \nneoAmNH\n\n$$$$\nCOOi-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOi-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmOOC\nM END\n> \nCOOi-Am\n\n> \ni-AmOOC\n\n$$$$\nC11H23\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 C11H23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H23C11\nM END\n> \nC11H23\n\n> \nH23C11\n\n$$$$\nADPsico\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADPsico\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADPsico\n\n$$$$\nring19\n Mrv15c7 12111511552D \n\n 19 19 0 0 0 0 999 V2000\n 2.9988 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3335 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4327 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9574 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3036 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8283 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1745 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6992 -2.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8776 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5313 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7097 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3634 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8388 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4925 0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9679 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6216 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0970 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 1 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 ring19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring19\n\n$$$$\nring16\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 2.1434 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7183 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5182 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7432 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1683 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3932 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8183 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0433 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4684 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6685 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4435 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6436 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4187 -0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9936 0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7686 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3435 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 1 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 ring16\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring16\n\n$$$$\nring15\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.2742 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9604 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6081 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3222 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6197 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1086 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4140 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9030 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0866 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7812 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9648 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6594 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1704 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8650 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3760 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 1 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 ring15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring15\n\n$$$$\nring18\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 2.5006 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9924 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1398 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6480 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9758 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4841 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3202 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5006 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0089 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8615 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3533 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0255 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5172 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6811 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 ring18\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring18\n\n$$$$\nring17\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 2.6371 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2708 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9690 1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7669 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1531 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7137 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0987 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 -1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8348 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3954 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1860 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6255 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2405 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6799 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7343 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 ring17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring17\n\n$$$$\nC18H37\n Mrv15c7 12111511552D \n\n 18 17 0 0 0 0 999 V2000\n 7.2336 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 C18H37\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H37C18\nM END\n> \nC18H37\n\n> \nH37C18\n\n$$$$\nring12\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ring12\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring12\n\n$$$$\nring11\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.5424 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2919 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8514 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4477 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6078 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0015 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2138 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0324 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2447 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0633 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6696 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 1 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 ring11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring11\n\n$$$$\nring14\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.7862 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3263 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4064 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8664 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5963 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7862 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2461 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1659 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7060 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9760 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 1 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 ring14\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring14\n\n$$$$\ndT\n Mrv15c7 12111511552D \n\n 20 21 0 0 1 0 999 V2000\n 2.1113 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5834 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8687 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3408 -2.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6260 -3.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4200 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4520 -4.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1378 -4.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0834 -5.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7692 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3434 -5.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6779 -4.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4536 -5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6539 -5.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1674 -3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5278 -2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2426 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7704 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4852 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 7 12 1 0 0 0 0\n 12 13 1 1 0 0 0\n 13 14 1 0 0 0 0\n 12 15 1 0 0 0 0\n 5 15 1 0 0 0 0\n 4 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 2 19 1 0 0 0 0\n 19 20 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 dT\nM SAP 1 2 14 0 1 9 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndT\n\n$$$$\nring13\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 1.9097 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2423 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0331 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4121 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9665 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1424 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6968 -1.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8727 -1.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4942 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9398 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5613 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0069 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 1 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 ring13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring13\n\n$$$$\nring10\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ring10\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring10\n\n$$$$\nCOOi-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOi-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-BuOOC\nM END\n> \nCOOi-Bu\n\n> \ni-BuOOC\n\n$$$$\nBDAltro\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDAltro\n\n$$$$\nCO2neoAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2neoAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmO2C\nM END\n> \nCO2neoAm\n\n> \nneoAmO2C\n\n$$$$\nNaCl\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NaCl\nM SDS EXP 1 1\nM END\n> \nNaCl\n\n$$$$\nNHBoc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NHBoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BocNH\nM END\n> \nNHBoc\n\n> \nBocNH\n\n$$$$\ndG\n Mrv15c7 12111511552D \n\n 22 24 0 0 1 0 999 V2000\n 3.2237 -1.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4072 -1.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1011 -1.9443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2846 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7741 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0320 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8260 -2.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1112 -3.5222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.9051 -3.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9371 -4.5709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.6229 -5.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5686 -5.8528 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2543 -6.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8285 -6.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1630 -4.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.9387 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1390 -5.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6525 -4.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0802 -0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5697 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8967 -0.5301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 4 8 1 0 0 0 0\n 9 8 1 1 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 17 18 1 0 0 0 0\n 16 19 1 0 0 0 0\n 9 19 1 0 0 0 0\n 5 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 2 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 dG\nM SAP 1 2 18 0 1 13 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndG\n\n$$$$\nPMB\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 PMB\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPMB\n\n$$$$\nMMTr\n Mrv15c7 12111511552D \n\n 21 23 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 MMTr\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMMTr\n\n$$$$\nDTalos\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDTalos\n\n$$$$\nHOAt\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HOAt\nM SDS EXP 1 1\nM END\n> \nHOAt\n\n$$$$\nCO2sBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2sBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuO2C\nM END\n> \nCO2sBu\n\n> \nsBuO2C\n\n$$$$\nPMP\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PMP\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nPMP\n\n$$$$\np-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 p-Tol\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \np-Tol\n\n$$$$\nBDRibop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDRibop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDRibop\n\n$$$$\nSn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Sn-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuS\nM END\n> \nSn-Bu\n\n> \nn-BuS\n\n$$$$\nSO2NH2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO2NH2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NH2SO2\nM END\n> \nSO2NH2\n\n> \nNH2SO2\n\n$$$$\nLys\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.0446 1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Lys\nM SAP 1 3 7 0 Al 8 0 Br 1 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nHOBt\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HOBt\nM SDS EXP 1 1\nM END\n> \nHOBt\n\n$$$$\nBDRibof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDRibof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDRibof\n\n$$$$\nOiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmO\nM END\n> \nOiAm\n\n> \niAmO\n\n$$$$\ncHex\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cHex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ncHex\n\n$$$$\nn-C6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-C6H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C6H13\n\n$$$$\nC14H29\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 4.7586 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 C14H29\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H29C14\nM END\n> \nC14H29\n\n> \nH29C14\n\n$$$$\ns-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-Bu\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Bu\n\n$$$$\nMDIPS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 MDIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nMDIPS\n\n$$$$\nTBS\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TBS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTBS\n\n$$$$\nTBT\n Mrv15c7 12111511552D \n\n 33 33 0 0 0 0 999 V2000\n 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0164 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8414 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8414 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0164 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9684 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3184 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2704 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4454 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 1 0 0 0 0\n 8 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 21 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 28 1 0 0 0 0\n 26 29 1 0 0 0 0\n 5 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 30 33 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 3 31 32 33\nM SMT 1 TBT\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTBT\n\n$$$$\nDNBZ\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 8 11 2 0 0 0 0\n 4 11 1 0 0 0 0\n 6 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 2 0 0 0 0\nM CHG 4 1 -1 2 1 12 1 13 -1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DNBZ\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDNBZ\n\n$$$$\ntrans-Cinnamyl\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 trans-Cinnamyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ntrans-Cinnamyl\n\n$$$$\nc-C23H45\n Mrv15c7 12111511552D \n\n 23 23 0 0 0 0 999 V2000\n 3.7198 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3672 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0536 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1950 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7373 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1029 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6452 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0108 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5531 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9187 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4610 -3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6377 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2721 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4489 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0833 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5409 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1753 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6330 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2674 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7251 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3595 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8172 2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 1 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 c-C23H45\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C23H45\n\n$$$$\nPO3H\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 1 1 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO3P\nM END\n> \nPO3H\n\n> \nHO3P\n\n$$$$\nH2PO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H2PO4\nM SDS EXP 1 1\nM END\n> \nH2PO4\n\n$$$$\nOxyma\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Oxyma\nM SDS EXP 1 1\nM END\n> \nOxyma\n\n$$$$\nSn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sn-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmS\nM END\n> \nSn-Am\n\n> \nn-AmS\n\n$$$$\nDEAD\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DEAD\nM SDS EXP 1 1\nM END\n> \nDEAD\n\n$$$$\nMes\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Mes\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMes\n\n$$$$\nDEAE\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 DEAE\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDEAE\n\n$$$$\nMet\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Met\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nNEt2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NEt2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et2N\nM END\n> \nNEt2\n\n> \nEt2N\n\n$$$$\nNEt3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NEt3\nM SDS EXP 1 1\nM MJS SAT 1 Et3N\nM END\n> \nNEt3\n\n> \nEt3N\n\n$$$$\nB2H6\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 B 0 0 0 0 0 4 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 B 0 0 0 0 0 4 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 B2H6\nM SDS EXP 1 1\nM END\n> \nB2H6\n\n$$$$\nPyrim\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Pyrim\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPyrim\n\n$$$$\nMeb\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Meb\nM SDS EXP 1 1\nM END\n> \nMeb\n\n$$$$\nm-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 m-C6H4\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nm-C6H4\n\n$$$$\nneo-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neo-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneo-Am\n\n$$$$\no-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 o-Tolyl\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \no-Tolyl\n\n$$$$\nTDS\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 TDS\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTDS\n\n$$$$\nScm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Scm\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nScm\n\n$$$$\nDmab\n Mrv15c7 12111511552D \n\n 23 24 0 0 0 0 999 V2000\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2494 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 7 13 1 0 0 0 0\n 5 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 18 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 14 22 1 0 0 0 0\n 22 23 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 Dmab\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nDmab\n\n$$$$\nSiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmS\nM END\n> \nSiAm\n\n> \niAmS\n\n$$$$\n5-TAMRA\n Mrv15c7 12111511552D \n\n 31 34 0 0 0 0 999 V2000\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0573 -0.5701 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 14 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 10 21 1 0 0 0 0\n 21 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 2 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 2 0 0 0 0\n 24 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 21 28 1 0 0 0 0\n 22 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 29 31 2 0 0 0 0\nM CHG 2 18 1 30 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 1 31\nM SMT 1 5-TAMRA\nM SAP 1 1 25 0 1\nM SDS EXP 1 1\nM END\n> \n5-TAMRA\n\n$$$$\nTEA\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TEA\nM SDS EXP 1 1\nM END\n> \nTEA\n\n$$$$\nStAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 StAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmS\nM END\n> \nStAm\n\n> \ntAmS\n\n$$$$\nADGalac\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADGalac\n\n$$$$\nCCl4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CCl4\nM SDS EXP 1 1\nM END\n> \nCCl4\n\n$$$$\nStBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 StBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuS\nM END\n> \nStBu\n\n> \ntBuS\n\n$$$$\nSar\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Sar\nM SAP 1 2 2 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CCl3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Cl3C\nM END\n> \nCCl3\n\n> \nCl3C\n\n$$$$\nNosyl\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Nosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nNosyl\n\n$$$$\nNIS\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NIS\nM SDS EXP 1 1\nM END\n> \nNIS\n\n$$$$\nBDSorbo\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDSorbo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDSorbo\n\n$$$$\nNHZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHZ\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ZNH\nM END\n> \nNHZ\n\n> \nZNH\n\n$$$$\nC2H5\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 C2H5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H5C2\nM END\n> \nC2H5\n\n> \nH5C2\n\n$$$$\nFpmp\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 9 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Fpmp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nFpmp\n\n$$$$\nTEMPO\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2822 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8125 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM RAD 1 11 2\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 TEMPO\nM SDS EXP 1 1\nM END\n> \nTEMPO\n\n$$$$\nCOOi-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOi-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrOOC\nM END\n> \nCOOi-Pr\n\n> \ni-PrOOC\n\n$$$$\nPCC\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1397 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1397 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4252 -0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.7107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7107 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM CHG 2 1 -1 9 1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PCC\nM SDS EXP 1 1\nM END\n> \nPCC\n\n$$$$\nADSorbo\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADSorbo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADSorbo\n\n$$$$\nHCl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 HCl\nM SDS EXP 1 1\nM END\n> \nHCl\n\n$$$$\nNBS\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NBS\nM SDS EXP 1 1\nM END\n> \nNBS\n\n$$$$\nEthyl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Ethyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nEthyl\n\n$$$$\nBDManno\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDManno\n\n$$$$\nPipoc\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Pipoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nPipoc\n\n$$$$\nAllyl\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Allyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAllyl\n\n$$$$\nNCO\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NCO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 OCN\nM END\n> \nNCO\n\n> \nOCN\n\n$$$$\nMal\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Mal\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nMal\n\n$$$$\nNCS\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NCS\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SCN\nM END\n> \nNCS\n\n> \nSCN\n\n$$$$\nDLyxos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DLyxos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDLyxos\n\n$$$$\nDDQ\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 3 0 0 0 0\n 7 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 3 0 0 0 0\n 10 13 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DDQ\nM SDS EXP 1 1\nM END\n> \nDDQ\n\n$$$$\nTBMPS\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8414 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0164 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 TBMPS\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nTBMPS\n\n$$$$\nCbz\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Cbz\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nCbz\n\n$$$$\nDCC\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 10 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 DCC\nM SDS EXP 1 1\nM END\n> \nDCC\n\n$$$$\nTrityl\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Trityl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTrityl\n\n$$$$\nDCE\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 DCE\nM SDS EXP 1 1\nM END\n> \nDCE\n\n$$$$\nMbs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Mbs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMbs\n\n$$$$\n2Pip\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2Pip\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \n2Pip\n\n$$$$\nDCB\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DCB\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDCB\n\n$$$$\nOneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Oneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmO\nM END\n> \nOneo-Am\n\n> \nneo-AmO\n\n$$$$\nDCM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 DCM\nM SDS EXP 1 1\nM END\n> \nDCM\n\n$$$$\nc-C19H37\n Mrv15c7 12111511552D \n\n 19 19 0 0 0 0 999 V2000\n 2.9988 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3335 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4327 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9574 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3036 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8283 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1745 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6992 -2.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8776 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5313 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7097 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3634 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8388 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4925 0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9679 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6216 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0970 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 1 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 c-C19H37\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C19H37\n\n$$$$\nMbh\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 8 15 1 0 0 0 0\n 6 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 3 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Mbh\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nMbh\n\n$$$$\nSt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 St-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmS\nM END\n> \nSt-Am\n\n> \nt-AmS\n\n$$$$\nDIdose\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDIdose\n\n$$$$\nDThreo\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDThreo\n\n$$$$\nDAllos\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDAllos\n\n$$$$\nDAltro\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDAltro\n\n$$$$\nPO3H2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3H2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H2PO3\nM END\n> \nPO3H2\n\n> \nH2PO3\n\n$$$$\nC22H45\n Mrv15c7 12111511552D \n\n 22 21 0 0 0 0 999 V2000\n 9.7086 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9980 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 C22H45\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H45C22\nM END\n> \nC22H45\n\n> \nH45C22\n\n$$$$\nPdCl2\n Mrv15c7 12111511552D \n\n 3 0 0 0 0 0 999 V2000\n 0.4125 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n 2.7696 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.0000 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0\nM CHG 3 1 -1 2 -1 3 2\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 PdCl2\nM SDS EXP 1 1\nM END\n> \nPdCl2\n\n$$$$\nADAarabif\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADAarabif\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAarabif\n\n$$$$\nPBr3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PBr3\nM SDS EXP 1 1\nM END\n> \nPBr3\n\n$$$$\nSt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 St-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuS\nM END\n> \nSt-Bu\n\n> \nt-BuS\n\n$$$$\nSMCC\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 5.1309 -2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9716 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1909 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0316 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6296 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8489 -0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2275 -0.9424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4233 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0991 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5427 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3014 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0095 -2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7889 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5696 -1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 3 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 SMCC\nM SAP 1 2 11 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nSMCC\n\n$$$$\nNHi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHi-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmNH\nM END\n> \nNHi-Am\n\n> \ni-AmNH\n\n$$$$\nCO2Bn\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 CO2Bn\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnO2C\nM END\n> \nCO2Bn\n\n> \nBnO2C\n\n$$$$\nTfa\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Tfa\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTfa\n\n$$$$\nOt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ot-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuO\nM END\n> \nOt-Bu\n\n> \nt-BuO\n\n$$$$\nPMBM\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PMBM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPMBM\n\n$$$$\nCO2Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuO2C\nM END\n> \nCO2Bu\n\n> \nBuO2C\n\n$$$$\nOTBS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTBS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TBSO\nM END\n> \nOTBS\n\n> \nTBSO\n\n$$$$\nSneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmS\nM END\n> \nSneo-Am\n\n> \nneo-AmS\n\n$$$$\nTBDPS\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 TBDPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTBDPS\n\n$$$$\nMnO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MnO2\nM SDS EXP 1 1\nM END\n> \nMnO2\n\n$$$$\nNpeoc\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n -2.1434 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 4 14 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Npeoc\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nNpeoc\n\n$$$$\nHPO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 2 3 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HPO4\nM SDS EXP 1 1\nM END\n> \nHPO4\n\n$$$$\nDmb\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 8 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Dmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nDmb\n\n$$$$\nPhenyl\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Phenyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPhenyl\n\n$$$$\n2-4DCZ\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 2 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 2-4DCZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n2-4DCZ\n\n$$$$\nCO2Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmO2C\nM END\n> \nCO2Am\n\n> \nAmO2C\n\n$$$$\nOt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ot-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmO\nM END\n> \nOt-Am\n\n> \nt-AmO\n\n$$$$\nBDFruct\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDFruct\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDFruct\n\n$$$$\ncyclooctyl\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 cyclooctyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclooctyl\n\n$$$$\nNBu4\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n -1.4289 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 5 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM CHG 1 5 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 NBu4\nM SDS EXP 1 1\nM END\n> \nNBu4\n\n$$$$\nC17H35\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 C17H35\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H35C17\nM END\n> \nC17H35\n\n> \nH35C17\n\n$$$$\nHNO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 HNO3\nM SDS EXP 1 1\nM END\n> \nHNO3\n\n$$$$\nNO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NO3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O3N\nM END\n> \nNO3\n\n> \nO3N\n\n$$$$\n4ClZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 4ClZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n4ClZ\n\n$$$$\nHNO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 HNO2\nM SDS EXP 1 1\nM END\n> \nHNO2\n\n$$$$\nNO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.9520 -1.1270 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NO2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O2N\nM END\n> \nNO2\n\n> \nO2N\n\n$$$$\nNitroso\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Nitroso\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNitroso\n\n$$$$\niPr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 iPr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \niPr\n\n$$$$\nBenzoyl\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Benzoyl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBenzoyl\n\n$$$$\nMob\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 3 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Mob\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nMob\n\n$$$$\nSAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmS\nM END\n> \nSAm\n\n> \nAmS\n\n$$$$\nCDI\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n 1.8185 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5330 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5330 -0.6552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2004 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9455 -1.9248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1205 -1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8655 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2475 0.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3337 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1407 1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5532 0.8598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0011 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 4 0 0 0 0\n 4 5 4 0 0 0 0\n 5 6 4 0 0 0 0\n 6 7 4 0 0 0 0\n 3 7 4 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 4 0 0 0 0\n 9 10 4 0 0 0 0\n 10 11 4 0 0 0 0\n 11 12 4 0 0 0 0\n 8 12 4 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 CDI\nM SDS EXP 1 1\nM END\n> \nCDI\n\n$$$$\ncyclopentyl\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 cyclopentyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclopentyl\n\n$$$$\nC15H31\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2842 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7131 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 C15H31\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H31C15\nM END\n> \nC15H31\n\n> \nH31C15\n\n$$$$\nOtBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuO\nM END\n> \nOtBu\n\n> \ntBuO\n\n$$$$\nMoz\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Moz\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMoz\n\n$$$$\nThr\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 6 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Thr\nM SAP 1 3 5 0 Al 6 0 Br 3 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nc-C13H25\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 1.9097 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2423 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0331 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4121 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9665 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1424 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6968 -1.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8727 -1.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4942 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9398 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5613 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0069 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 1 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 c-C13H25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C13H25\n\n$$$$\nThy\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Thy\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nThy\n\n$$$$\nCF3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CF3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 F3C\nM END\n> \nCF3\n\n> \nF3C\n\n$$$$\nNvoc\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 9 14 2 0 0 0 0\n 3 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\nM CHG 2 15 1 16 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Nvoc\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nNvoc\n\n$$$$\nSCN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SCN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NCS\nM END\n> \nSCN\n\n> \nNCS\n\n$$$$\nCONHMe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CONHMe\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeNHCO\nM END\n> \nCONHMe\n\n> \nMeNHCO\n\n$$$$\no-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 o-Tol\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \no-Tol\n\n$$$$\nBrosyl\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Brosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nBrosyl\n\n$$$$\nHBTU\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3112 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -1.3645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.5411 -2.1492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5807 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5807 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0932 1.3680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 5.9002 1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8382 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\nM CHG 4 2 -1 14 1 15 -1 22 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 HBTU\nM SDS EXP 1 1\nM END\n> \nHBTU\n\n$$$$\nOtAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OtAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmO\nM END\n> \nOtAm\n\n> \ntAmO\n\n$$$$\nNHTs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHTs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TsNH\nM END\n> \nNHTs\n\n> \nTsNH\n\n$$$$\nDMIPS\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nDMIPS\n\n$$$$\nBic\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 4.7812 4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0668 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 5 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Bic\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBic\n\n$$$$\nOPMB\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 OPMB\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PMBO\nM END\n> \nOPMB\n\n> \nPMBO\n\n$$$$\nSnBu3\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 5.3329 5.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 3.0789 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 SnBu3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Bu3Sn\nM END\n> \nSnBu3\n\n> \nBu3Sn\n\n$$$$\nTeoc\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Teoc\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTeoc\n\n$$$$\n2OHPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 2OHPh\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n2OHPh\n\n$$$$\nCOOt-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOt-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuOOC\nM END\n> \nCOOt-Bu\n\n> \nt-BuOOC\n\n$$$$\nSBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuS\nM END\n> \nSBu\n\n> \nBuS\n\n$$$$\n2-6DCZ\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 2-6DCZ\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \n2-6DCZ\n\n$$$$\nKNO3\n Mrv15c7 12111511552D \n\n 5 3 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM CHG 4 1 1 2 -1 3 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 KNO3\nM SDS EXP 1 1\nM END\n> \nKNO3\n\n$$$$\nKNO2\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 KNO2\nM SDS EXP 1 1\nM END\n> \nKNO2\n\n$$$$\nDip\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dip\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDip\n\n$$$$\nn-Pr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 n-Pr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Pr\n\n$$$$\nCO2Et\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CO2Et\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtO2C\nM END\n> \nCO2Et\n\n> \nEtO2C\n\n$$$$\nPhOMe\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PhOMe\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeOPh\nM END\n> \nPhOMe\n\n> \nMeOPh\n\n$$$$\ncyclopropyl\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 cyclopropyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclopropyl\n\n$$$$\nSEM\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.6039 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 SEM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nSEM\n\n$$$$\nNHOH\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NHOH\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HONH\nM END\n> \nNHOH\n\n> \nHONH\n\n$$$$\nADEryth\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ADEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADEryth\n\n$$$$\nc-C15H29\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.2742 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9604 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6081 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3222 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6197 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1086 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4140 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9030 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0866 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7812 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9648 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6594 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1704 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8650 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3760 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 1 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 c-C15H29\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C15H29\n\n$$$$\nTBDMS\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TBDMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTBDMS\n\n$$$$\nUMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3819 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 5 14 1 6 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 UMP\nM SDS EXP 1 1\nM END\n> \nUMP\n\n$$$$\nDbpoc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Dbpoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nDbpoc\n\n$$$$\nADAllos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAllos\n\n$$$$\nPO(OEt)2\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PO(OEt)2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (EtO)2OP\nM END\n> \nPO(OEt)2\n\n> \n(EtO)2OP\n\n$$$$\nTmob\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 3 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Tmob\nM SAP 1 1 13 0 1\nM SDS EXP 1 1\nM END\n> \nTmob\n\n$$$$\nONO2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 ONO2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NO2O\nM END\n> \nONO2\n\n> \nNO2O\n\n$$$$\nSPDP\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.5401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8064 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SPDP\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nSPDP\n\n$$$$\nn-C3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 n-C3H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C3H7\n\n$$$$\nEt4N\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Et4N\nM SDS EXP 1 1\nM END\n> \nEt4N\n\n$$$$\nSES\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 SES\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nSES\n\n$$$$\nC21H43\n Mrv15c7 12111511552D \n\n 21 20 0 0 0 0 999 V2000\n 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9980 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 C21H43\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H43C21\nM END\n> \nC21H43\n\n> \nH43C21\n\n$$$$\nCHL\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CHL\nM SDS EXP 1 1\nM END\n> \nCHL\n\n$$$$\nPOI3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POI3\nM SDS EXP 1 1\nM END\n> \nPOI3\n\n$$$$\nNMP\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NMP\nM SDS EXP 1 1\nM END\n> \nNMP\n\n$$$$\nCHO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CHO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 OHC\nM END\n> \nCHO\n\n> \nOHC\n\n$$$$\nDArabi\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DArabi\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDArabi\n\n$$$$\nTmb\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTmb\n\n$$$$\nNHCbz\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHCbz\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CbzNH\nM END\n> \nNHCbz\n\n> \nCbzNH\n\n$$$$\nCOOt-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOt-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmOOC\nM END\n> \nCOOt-Am\n\n> \nt-AmOOC\n\n$$$$\nPPh3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 PPh3\nM SDS EXP 1 1\nM MJS SAT 1 Ph3P\nM END\n> \nPPh3\n\n> \nPh3P\n\n$$$$\nPPh2\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 PPh2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph2P\nM END\n> \nPPh2\n\n> \nPh2P\n\n$$$$\nSEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SEt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtS\nM END\n> \nSEt\n\n> \nEtS\n\n$$$$\nADTalos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADTalos\n\n$$$$\nMthp\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Mthp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMthp\n\n$$$$\nNHPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NHPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhNH\nM END\n> \nNHPh\n\n> \nPhNH\n\n$$$$\nNHPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrNH\nM END\n> \nNHPr\n\n> \nPrNH\n\n$$$$\nOn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 On-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmO\nM END\n> \nOn-Am\n\n> \nn-AmO\n\n$$$$\nAcOH\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 AcOH\nM SDS EXP 1 1\nM END\n> \nAcOH\n\n$$$$\ntHexyl\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 tHexyl\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ntHexyl\n\n$$$$\nC19H39\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n 9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4737 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1881 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6171 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3315 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 C19H39\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H39C19\nM END\n> \nC19H39\n\n> \nH39C19\n\n$$$$\nc-C22H43\n Mrv15c7 12111511552D \n\n 22 22 0 0 0 0 999 V2000\n 3.2151 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6850 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8595 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3897 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7421 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2722 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6246 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1548 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0373 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2151 -2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7453 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5707 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0405 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6882 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1580 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8056 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2755 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3929 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 1 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 c-C22H43\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C22H43\n\n$$$$\nDMPS\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DMPS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDMPS\n\n$$$$\nPOBr3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POBr3\nM SDS EXP 1 1\nM END\n> \nPOBr3\n\n$$$$\nPO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 3 1 -1 3 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 PO4\nM SDS EXP 1 1\nM END\n> \nPO4\n\n$$$$\nPO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 2 1 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O3P\nM END\n> \nPO3\n\n> \nO3P\n\n$$$$\nDMPM\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 DMPM\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMPM\n\n$$$$\nCO2s-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2s-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmO2C\nM END\n> \nCO2s-Am\n\n> \ns-AmO2C\n\n$$$$\nCOF\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COF\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 FCO\nM END\n> \nCOF\n\n> \nFCO\n\n$$$$\ni-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 i-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-C5H11\n\n$$$$\nBeoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Beoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nBeoc\n\n$$$$\nDTBMS\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6039 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DTBMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDTBMS\n\n$$$$\nPNB\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PNB\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nPNB\n\n$$$$\nSiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrS\nM END\n> \nSiPr\n\n> \niPrS\n\n$$$$\nTol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Tol\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTol\n\n$$$$\nBmv\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Bmv\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBmv\n\n$$$$\n2-Abz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 2-Abz\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n2-Abz\n\n$$$$\nSPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhS\nM END\n> \nSPh\n\n> \nPhS\n\n$$$$\nTos\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tos\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTos\n\n$$$$\nSPy\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SPy\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nSPy\n\n$$$$\nMts\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Mts\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nMts\n\n$$$$\nSPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrS\nM END\n> \nSPr\n\n> \nPrS\n\n$$$$\nMtt\n Mrv15c7 12111511552D \n\n 20 22 0 0 0 0 999 V2000\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 9 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 Mtt\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMtt\n\n$$$$\nOn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 On-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuO\nM END\n> \nOn-Bu\n\n> \nn-BuO\n\n$$$$\nMtr\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 3 11 1 0 0 0 0\n 8 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Mtr\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nMtr\n\n$$$$\nBDTalos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDTalos\n\n$$$$\nneoAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neoAm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneoAm\n\n$$$$\nTpt\n Mrv15c7 12111511552D \n\n 20 24 0 0 0 0 999 V2000\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5664 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5664 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2809 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9954 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9954 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2809 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 1 14 1 0 0 0 0\n 12 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 5 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 Tpt\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nTpt\n\n$$$$\nPtBu3\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n -0.6039 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2539 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 PtBu3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPtBu3\n\n$$$$\nP(OMe)2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 P(OMe)2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (MeO)2P\nM END\n> \nP(OMe)2\n\n> \n(MeO)2P\n\n$$$$\nNHMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NHMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeNH\nM END\n> \nNHMe\n\n> \nMeNH\n\n$$$$\nGMP\n Mrv15c7 12111511552D \n\n 24 26 0 0 1 0 999 V2000\n 4.0668 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 2.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0992 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0992 4.0549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.5683 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4820 5.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1495 5.8453 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8169 6.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6646 6.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6344 5.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 4.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.1387 5.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3687 3.6424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1937 3.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 12 9 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 6 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 2 0 0 0 0\n 14 21 1 0 0 0 0\n 21 22 1 1 0 0 0\n 21 23 1 0 0 0 0\n 12 23 1 0 0 0 0\n 23 24 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 GMP\nM SDS EXP 1 1\nM END\n> \nGMP\n\n$$$$\nNHiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrNH\nM END\n> \nNHiPr\n\n> \niPrNH\n\n$$$$\nn-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 n-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Am\n\n$$$$\nCONHEt\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CONHEt\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtNHCO\nM END\n> \nCONHEt\n\n> \nEtNHCO\n\n$$$$\nNHtBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuNH\nM END\n> \nNHtBu\n\n> \ntBuNH\n\n$$$$\nCO2K\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2K\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KO2C\nM END\n> \nCO2K\n\n> \nKO2C\n\n$$$$\nDGluco\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDGluco\n\n$$$$\nOTHP\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 OTHP\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 THPO\nM END\n> \nOTHP\n\n> \nTHPO\n\n$$$$\nCO2Me\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2Me\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeO2C\nM END\n> \nCO2Me\n\n> \nMeO2C\n\n$$$$\nCO2H\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CO2H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO2C\nM END\n> \nCO2H\n\n> \nHO2C\n\n$$$$\nC9H19\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 C9H19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H19C9\nM END\n> \nC9H19\n\n> \nH19C9\n\n$$$$\nc-C5H9\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 c-C5H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C5H9\n\n$$$$\nn-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 n-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Bu\n\n$$$$\nBpoc\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n -0.1105 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Bpoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nBpoc\n\n$$$$\nCMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 6.7661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 5.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 5.5286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 4.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 4.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 4.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 4.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 5.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.4661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.3819 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 2.1965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.6119 1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 0.1080 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2462 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0938 -0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4287 0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 2.1965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.1830 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 2.9812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7376 3.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 9 6 1 6 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 2 0 0 0 0\n 11 18 1 0 0 0 0\n 18 19 1 1 0 0 0\n 18 20 1 0 0 0 0\n 9 20 1 0 0 0 0\n 20 21 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 CMP\nM SDS EXP 1 1\nM END\n> \nCMP\n\n$$$$\nCO2s-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2s-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuO2C\nM END\n> \nCO2s-Bu\n\n> \ns-BuO2C\n\n$$$$\nAcAc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 AcAc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nAcAc\n\n$$$$\nHse\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Hse\nM SAP 1 2 1 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nQxc\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 3 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Qxc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nQxc\n\n$$$$\nNHtAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHtAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmNH\nM END\n> \nNHtAm\n\n> \ntAmNH\n\n$$$$\nC8H17\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 C8H17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H17C8\nM END\n> \nC8H17\n\n> \nH17C8\n\n$$$$\nCOOs-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOs-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmOOC\nM END\n> \nCOOs-Am\n\n> \ns-AmOOC\n\n$$$$\nCS2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CS2\nM SDS EXP 1 1\nM END\n> \nCS2\n\n$$$$\nBr2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Br2\nM SDS EXP 1 1\nM END\n> \nBr2\n\n$$$$\nc-C11H21\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.5424 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2919 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8514 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4477 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6078 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0015 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2138 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0324 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2447 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0633 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6696 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 1 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 c-C11H21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C11H21\n\n$$$$\nC10H21\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 C10H21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H21C10\nM END\n> \nC10H21\n\n> \nH21C10\n\n$$$$\nTrt\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Trt\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTrt\n\n$$$$\nCO2t-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2t-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuO2C\nM END\n> \nCO2t-Bu\n\n> \nt-BuO2C\n\n$$$$\nDEIPS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DEIPS\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nDEIPS\n\n$$$$\nAdoc\n Mrv15c7 12111511552D \n\n 13 15 0 0 0 0 999 V2000\n 0.1373 -3.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1373 -2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -2.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 4 13 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 8 13 1 0 0 0 0\n 10 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 6 11 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Adoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAdoc\n\n$$$$\nTrp\n Mrv15c7 12111511552D \n\n 14 15 0 0 0 0 999 V2000\n -1.7571 0.3107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2054 0.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3964 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6268 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 -1.3661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6429 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6429 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3554 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0679 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0679 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3554 -1.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4625 1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2661 1.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Trp\nM SAP 1 3 1 0 Al 13 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nP(OEt)2\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 P(OEt)2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (EtO)2P\nM END\n> \nP(OEt)2\n\n> \n(EtO)2P\n\n$$$$\nSi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Si-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmS\nM END\n> \nSi-Am\n\n> \ni-AmS\n\n$$$$\nTre\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Tre\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTre\n\n$$$$\nAmoc\n Mrv15c7 12111511552D \n\n 18 20 0 0 0 0 999 V2000\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 5 18 1 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Amoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAmoc\n\n$$$$\nDpp\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dpp\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDpp\n\n$$$$\nHFIP\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HFIP\nM SDS EXP 1 1\nM END\n> \nHFIP\n\n$$$$\nDMTr\n Mrv15c7 12111511552D \n\n 23 25 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 16 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 DMTr\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMTr\n\n$$$$\nOTES\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTES\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TESO\nM END\n> \nOTES\n\n> \nTESO\n\n$$$$\nBDGalac\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGalac\n\n$$$$\nCO2t-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2t-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmO2C\nM END\n> \nCO2t-Am\n\n> \nt-AmO2C\n\n$$$$\nSLi\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SLi\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 LiS\nM END\n> \nSLi\n\n> \nLiS\n\n$$$$\nFmoc\n Mrv15c7 12111511552D \n\n 17 19 0 0 0 0 999 V2000\n 0.5050 -3.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 5 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Fmoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nFmoc\n\n$$$$\nCO2Na\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2Na\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaO2C\nM END\n> \nCO2Na\n\n> \nNaO2C\n\n$$$$\n2-6Clb\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 2-6Clb\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n2-6Clb\n\n$$$$\nCOOs-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOs-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuOOC\nM END\n> \nCOOs-Bu\n\n> \ns-BuOOC\n\n$$$$\nNHEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NHEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtNH\nM END\n> \nNHEt\n\n> \nEtNH\n\n$$$$\nPEG4\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 7.8700 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4430 -0.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7079 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0160 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2809 -0.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5891 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8540 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1621 -0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4270 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7351 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 PEG4\nM SAP 1 2 12 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nPEG4\n\n$$$$\n2-Naph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 2-Naph\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \n2-Naph\n\n$$$$\nMpc\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Mpc\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nMpc\n\n$$$$\nPEG3\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 PEG3\nM SAP 1 2 9 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nPEG3\n\n$$$$\nCO2Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrO2C\nM END\n> \nCO2Pr\n\n> \nPrO2C\n\n$$$$\nc-C8H15\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 c-C8H15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C8H15\n\n$$$$\nPO(OMe)2\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 PO(OMe)2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (MeO)2OP\nM END\n> \nPO(OMe)2\n\n> \n(MeO)2OP\n\n$$$$\nDoc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 2.6664 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Doc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nDoc\n\n$$$$\nm-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 m-Tolyl\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nm-Tolyl\n\n$$$$\nNHTos\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHTos\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TosNH\nM END\n> \nNHTos\n\n> \nTosNH\n\n$$$$\nSMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeS\nM END\n> \nSMe\n\n> \nMeS\n\n$$$$\nDFruct\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DFruct\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDFruct\n\n$$$$\nDns\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dns\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDns\n\n$$$$\nring9\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 1.1333 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9086 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3211 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1778 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5458 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7208 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0888 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0544 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3581 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 ring9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring9\n\n$$$$\nSO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SO2\nM SAP 1 2 2 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nSO2\n\n$$$$\nBoc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Boc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nBoc\n\n$$$$\nring8\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ring8\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring8\n\n$$$$\nH2O\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 H2O\nM SDS EXP 1 1\nM END\n> \nH2O\n\n$$$$\nOrn\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Orn\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nring5\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 ring5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring5\n\n$$$$\nC6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H13C6\nM END\n> \nC6H13\n\n> \nH13C6\n\n$$$$\nring4\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 ring4\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring4\n\n$$$$\nFor\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 For\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFor\n\n$$$$\nring7\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 ring7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring7\n\n$$$$\nSO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 2 1 -1 3 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SO4\nM SDS EXP 1 1\nM END\n> \nSO4\n\n$$$$\nring6\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 ring6\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring6\n\n$$$$\nDnp\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\n 7 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dnp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDnp\n\n$$$$\nring3\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 ring3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring3\n\n$$$$\nCOOsBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOsBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuOOC\nM END\n> \nCOOsBu\n\n> \nsBuOOC\n\n$$$$\nBom\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Bom\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBom\n\n$$$$\nDMSO\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 DMSO\nM SDS EXP 1 1\nM END\n> \nDMSO\n\n$$$$\n3-Fur\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 3-Fur\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \n3-Fur\n\n$$$$\nMsc\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Msc\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMsc\n\n$$$$\nSNa\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SNa\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaS\nM END\n> \nSNa\n\n> \nNaS\n\n$$$$\nTIPDS\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 0.0000 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.5787 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.5787 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 TIPDS\nM SAP 1 2 4 0 1 6 0 2\nM SDS EXP 1 1\nM END\n> \nTIPDS\n\n$$$$\nADGluco\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADGluco\n\n$$$$\nCO2Ph\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 CO2Ph\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhO2C\nM END\n> \nCO2Ph\n\n> \nPhO2C\n\n$$$$\nNaOH\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NaOH\nM SDS EXP 1 1\nM END\n> \nNaOH\n\n$$$$\nP+Ph3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM CHG 1 7 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 P+Ph3\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph3P+\nM END\n> \nP+Ph3\n\n> \nPh3P+\n\n$$$$\nOBoc\n Mrv1722009201714142D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OBoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BocO\nM END\n> \nOBoc\n\n> \nBocO\n\n$$$$\nNBoc\n Mrv1722009201714142D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NBoc\nM SAP 1 2 7 0 1 7 0 2\nM SDS EXP 1 1\nM MJS SAT 1 BocN\nM END\n> \nNBoc\n\n> \nBocN\n\n$$$$\n"] \ No newline at end of file diff --git a/public/marvinjs/gui/clear.cache.gif b/public/marvinjs/gui/clear.cache.gif deleted file mode 100644 index e565824aafafe632011b281cba976baf8b3ba89a..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 43 qcmZ?wbhEHbWMp7uXkcLY4+e@qSs1y10y+#p0Fq%~V)9{Rum%7ZWeN!Z diff --git a/public/marvinjs/gui/css/editor.css b/public/marvinjs/gui/css/editor.css deleted file mode 100644 index 457615b34..000000000 --- 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