All Downloads are FREE. Search and download functionalities are using the official Maven repository.

static.kuangkie.hydrogen.bundle.0cedb5bc208f4a84dea3.js Maven / Gradle / Ivy

The newest version!
/*! For license information please see bundle.0cedb5bc208f4a84dea3.js.LICENSE.txt */
"use strict";(self.webpackChunkhydrogen_react=self.webpackChunkhydrogen_react||[]).push([[7128],{97128:function(n,e,t){t.d(e,{ML:function(){return AP}});var r=t(8270),o=t(33823),i=(t(70950),t(71416),t(24792),t(65215),t(311),t(54390)),a=t(1117),l=t.n(a),c=t(4913),s=t(64296),u=t(55518),d=t(35466),p=t(17253),h=t(81928),f=t(88503),m=t(93311),v=t(29383),g=t(31311),b=t(29550),y=t.n(b),C=t(26858),O=t(25206),w=t(91548),S=t(39057),j=t(93349),x=t(55043),M=t(46116),E=t(49089),A=t(62505),D=t(13974),P=t.n(D),N=t(93254),$=t.n(N),k=(t(77646),t(43916)),I=t(36945),T=t.n(I),_=t(20728),B=t(26452),L=t(40544),V=t(44008),R=t(94520),z=t(44225),F=t(76142),G=t(90809),H=t(71425),Z=t(31258),K=t(96598),U=t(750),Y=t(85804),J=t(65980),q=t(76464),W=t(22490),X=t(75282),Q=t(23951),nn=t(11572),en=t(22942),tn=t(55651),rn=t(61762),on=t(62764),an=t.n(on),ln=t(16182),cn=t(56895),sn=t(3115),un=t(84624),dn=t(74669),pn=t(79879),hn=t(90939),fn=t(27265),mn=t(1071),vn=t(55944),gn=t(63123),bn=t(33869),yn=t(3897);function Cn(n,e){var t=n.createStructService(e),r=t.info();return Object.assign(r,{info:t.info.bind(t),convert:t.convert.bind(t),layout:t.layout.bind(t),clean:t.clean.bind(t),aromatize:t.aromatize.bind(t),dearomatize:t.dearomatize.bind(t),calculateCip:t.calculateCip.bind(t),automap:t.automap.bind(t),check:t.check.bind(t),calculate:t.calculate.bind(t),recognize:t.recognize.bind(t),generateImageAsBase64:t.generateImageAsBase64.bind(t),getInChIKey:t.getInChIKey.bind(t)})}var On=d.createContext({}),wn=d.createContext({}),Sn=d.createContext({}),jn=d.createContext(null),xn=["H","C","N","O","S","P","F","Cl","Br","I"],Mn={H:"h",C:"c",N:"n",O:"o",S:"s",P:"p",F:"f",Cl:"Shift+c",Br:"b",I:"i",A:"a",Q:"q",R:"r",K:"k",M:"m",Si:"Shift+s",Na:"Shift+n",X:"x",D:"d",B:"Shift+b"},En=Object.keys(Mn).reduce((function(n,e){return n["atom-".concat(e.toLowerCase())]={title:"Atom ".concat(e),shortcut:Mn[e],action:{tool:"atom",opts:{label:e}}},n}),{});function An(n){var e,r=t.g.currentState.editor,o=r.structSelected(),i=r.errorHandler;try{if(e="mol"===n?new u.jWx:new u.F_l,Boolean(o.simpleObjects.size||o.texts.size)&&e instanceof u.jWx)return i("This feature is not available for Simple objects and Text objects"),null;var a=e.serialize(o);window.clipboardData?window.clipboardData.setData("text",a):navigator.clipboard.writeText(a)}catch(n){i("This feature is not available in your browser")}}function Dn(){return Dn=(0,i.Z)(l().mark((function n(){var e,o,i,a,c,s,d,p,h,f,m,v;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return e=t.g.currentState,o=e.editor,i=e.server,a=e.options,c=o.structSelected(),s=o.errorHandler,n.prev=6,d=new u.Yyn(i),p=d.create("ket",a),n.next=11,p.getStructureFromStructAsync(c);case 11:return h=n.sent,f=new u.VA(o,i,{},d),n.next=15,f.generateImage(h,{outputFormat:"png",backgroundColor:"255, 255, 255",bondThickness:a.settings.bondThickness||u.B_f});case 15:return m=n.sent,v=new ClipboardItem((0,r.Z)({},m.type,m)),n.next=19,navigator.clipboard.write([v]);case 19:n.next=24;break;case 21:n.prev=21,n.t0=n.catch(6),s("This feature is not available in your browser");case 24:case"end":return n.stop()}}),n,null,[[6,21]])}))),Dn.apply(this,arguments)}function Pn(n,e){var t;return Boolean(null===(t=n.buttons)||void 0===t||null===(t=t[e])||void 0===t?void 0:t.hidden)}var Nn={"force-update":{shortcut:"Ctrl+Shift+r",action:function(n){n.update(!0)},hidden:function(n){return Pn(n,"force-update")}},"qs-serialize":{shortcut:"Alt+Shift+r",action:function(n){var e=(new u.jWx).serialize(n.struct()),t="mol="+encodeURIComponent(e).replace(/%20/g,"+"),r=document.location.search;document.location.search=r?-1===r.search("mol=")?r+"&"+t:r.replace(/mol=[^&$]*/,t):"?"+t}},hidden:function(n){return Pn(n,"qs-serialize")}};function $n(){var n;return"function"==typeof(null===(n=navigator)||void 0===n||null===(n=n.clipboard)||void 0===n?void 0:n.writeText)}function kn(){var n=new Event("copyOrCutComplete");window.dispatchEvent(n)}var In=window.clipboardData,Tn="cliparea",_n=function(n){(0,h.Z)(a,n);var e,t,r=(e=a,t=function(){if("undefined"==typeof Reflect||!Reflect.construct)return!1;if(Reflect.construct.sham)return!1;if("function"==typeof Proxy)return!0;try{return Boolean.prototype.valueOf.call(Reflect.construct(Boolean,[],(function(){}))),!0}catch(n){return!1}}(),function(){var n,r=(0,m.Z)(e);if(t){var o=(0,m.Z)(this).constructor;n=Reflect.construct(r,arguments,o)}else n=r.apply(this,arguments);return(0,f.Z)(this,n)});function a(n){var e;return(0,c.Z)(this,a),(e=r.call(this,n)).textAreaRef=(0,d.createRef)(),e}return(0,s.Z)(a,[{key:"componentDidMount",value:function(){var n,e=this,t=this.textAreaRef.current;this.target=this.props.target||t.parentNode,this.listeners={mouseup:function(n){var r;(t===n.target||!Bn(n.target)&&e.props.focused())&&((r=t).value=" ",r.select())},mousedown:function(n){n.shiftKey&&!Bn(n.target)&&n.preventDefault()},copy:function(n){if(e.props.focused())if($n())e.props.onCopy().then((function(e){e&&Ln(e).then((function(){n.preventDefault(),kn()}))}));else{var t=e.props.onLegacyCopy();t&&Rn(n.clipboardData,t),n.preventDefault()}},cut:(n=(0,i.Z)(l().mark((function n(t){var r;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:if(e.props.focused()){n.next=2;break}return n.abrupt("return");case 2:$n()?e.props.onCut().then((function(n){n&&Ln(n).then((function(){t.preventDefault(),kn()}))})):((r=e.props.onLegacyCut())&&Rn(t.clipboardData,r),t.preventDefault());case 3:case"end":return n.stop()}}),n)}))),function(e){return n.apply(this,arguments)}),paste:function(n){if(e.props.focused())if($n())navigator.clipboard.read().then((function(t){t&&e.props.onPaste(t).then((function(){n.preventDefault(),kn()}))}));else{var t=function(n,e){var t={};return!n&&In?t["text/plain"]=In.getData("text"):(t["text/plain"]=n.getData("text/plain"),t=e.reduce((function(e,t){var r=n.getData(t);return r&&(e[t]=r),e}),t)),t}(n.clipboardData,e.props.formats);t&&e.props.onLegacyPaste(t),n.preventDefault()}}},Object.keys(this.listeners).forEach((function(n){e.target.addEventListener(n,e.listeners[n])}))}},{key:"shouldComponentUpdate",value:function(){return!1}},{key:"componentWillUnmount",value:function(){var n=this;Object.keys(this.listeners).forEach((function(e){n.target.removeEventListener(e,n.listeners[e])}))}},{key:"render",value:function(){return(0,o.jsx)("textarea",{ref:this.textAreaRef,className:(0,v.Z)(Tn,"cliparea-module_cliparea__GdPrN"),contentEditable:!0,autoFocus:!0,suppressContentEditableWarning:!0})}}]),a}(d.Component);function Bn(n){return("INPUT"!==n.tagName||"button"!==n.type)&&["INPUT","SELECT","TEXTAREA","OPTION","LABEL"].includes(n.tagName)}function Ln(n){return Vn.apply(this,arguments)}function Vn(){return(Vn=(0,i.Z)(l().mark((function n(e){var t;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return n.prev=0,t={},Object.keys(e).forEach((function(n){var r="text/plain"===n?n:"web ".concat(n);t[r]=Promise.resolve(new Blob([e[n]],{type:r}))})),n.next=5,navigator.clipboard.write([new ClipboardItem(t)]);case 5:n.next=10;break;case 7:n.prev=7,n.t0=n.catch(0);case 10:case"end":return n.stop()}}),n,null,[[0,7]])})))).apply(this,arguments)}function Rn(n,e){if(!n&&In)In.setData("text",e["text/plain"]);else{n.setData("text/plain",e["text/plain"]);try{Object.keys(e).forEach((function(t){n.setData(t,e[t])}))}catch(n){}}}var zn=["cut","copy","paste"];function Fn(n){var e=document.queryCommandSupported(n);if(e)try{e=document.execCommand(n)||window.ClipboardEvent||In}catch(n){e=!1}return e}function Gn(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Hn(n){for(var e=1;e  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl1\n\n>  \n0\n\n>  \n0\n\n$$$$\nalpha-D-Altropyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -0.9910    2.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9910    0.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2875    0.0452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5799    0.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2834    2.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1462    1.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6372    1.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6372    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2834    0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9337    1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9337    1.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5799    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  1     0  0\n  9  3  1  6     0  0\n 10  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl2\n\n>  \n0\n\n>  \n0\n\n$$$$\nalpha-D-Arabinofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -1.9332    3.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5926    1.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7765    1.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7048    3.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0588    2.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8825    2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1801    1.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1909    1.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5142    2.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.4573    3.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  1     0  0\n  8  3  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl3\n\n>  \n0\n\n>  \n0\n\n$$$$\nalpha-D-Arabinopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   15.5611   -5.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5611   -7.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8228   -8.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0958   -7.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8228   -5.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6920   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6920   -6.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8228   -7.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9648   -6.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9648   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5 10  1  0     0  0\n 10  9  1  0     0  0\n  9  8  1  0     0  0\n  8  7  1  0     0  0\n  7  6  1  0     0  0\n  6  5  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  1     0  0\n  8  3  1  6     0  0\n  9  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl4\n\n$$$$\nalpha-D-Erythrofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     1  0            999 V2000\n   -2.3742    2.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8682    1.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4960    1.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7013    2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0854    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3125    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0613    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3035    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  4  1  0     0  0\n  8  7  1  0     0  0\n  4  5  1  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  1  1  6     0  0\n  6  2  1  6     0  0\n  7  3  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl5\n\n>  \n0\n\n>  \n0\n\n$$$$\nalpha-D-Galactopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.5577    2.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5577    1.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8542    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1466    1.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8543    2.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7171    2.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2039    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2039    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8543    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5004    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5004    2.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1466    2.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  6     0  0\n  9  3  1  1     0  0\n 10  4  1  1     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl6\n\n$$$$\nalpha-D-Glucopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -2.1744    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1744    1.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4708    0.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7632    1.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4709    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3337    2.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8206    2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8206    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4709    1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1170    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1170    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7632    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  6     0  0\n  9  3  1  1     0  0\n 10  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl7\n\n$$$$\nalpha-D-Gulopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -2.1119    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1119    1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4083    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7007    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4084    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2712    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7581    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7581    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4084    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0545    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0545    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7007    2.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  6     0  0\n  9  3  1  6     0  0\n 10  4  1  1     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl8\n\n$$$$\nalpha-D-Idopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.9244    2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9244    1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2208    0.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5132    1.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2209    2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0837    2.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5706    2.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5706    1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2209    1.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8670    1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8670    2.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5132    2.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  1     0  0\n  9  3  1  6     0  0\n 10  4  1  1     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl9\n\n$$$$\nalpha-D-Lyxofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.1148    2.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6088    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2406    1.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4419    3.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2054    2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8260    2.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0531    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8102    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0483    2.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7589    2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  1     0  0\n  8  3  1  1     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl10\n\n$$$$\nalpha-D-Lyxopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.4513    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4513    1.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7520    0.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0444    1.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7521    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1017    2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1017    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7521    1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3940    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3940    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 10  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  1     0  0\n  8  3  1  1     0  0\n  9  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl11\n\n$$$$\nalpha-D-Mannopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -2.1577    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1577    1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4542    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7466    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4543    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3171    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8039    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8039    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4543    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1004    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1004    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7466    2.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  1     0  0\n  9  3  1  1     0  0\n 10  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl12\n\n$$$$\nalpha-D-Psicofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   15.0740   -8.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3759   -8.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7463  -10.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5700  -10.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6353   -7.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2665   -9.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1656   -7.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4589   -8.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1574   -9.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1460   -9.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8298   -8.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8731   -8.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  1     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  6     0  0\n  9  3  1  6     0  0\n  8  2  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl13\n\n>  \n1\n\n>  \n0\n\n$$$$\nalpha-D-Ribofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -1.8940    2.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3879    1.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0198    1.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2211    2.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9845    2.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6051    2.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8322    1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5894    1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8274    2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5381    2.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  6     0  0\n  8  3  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl14\n\n$$$$\nalpha-D-Ribopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.1138    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1138    1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4145    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7069    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4146    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7642    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7642    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4146    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0565    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0565    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 10  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  6     0  0\n  8  3  1  6     0  0\n  9  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl15\n\n$$$$\nalpha-D-Sorbofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.6290    2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1517    2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6232    1.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2529    1.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4552    2.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2290    2.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3092    2.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8384    2.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0642    1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8216    1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0626    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7789    2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  0     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  1     0  0\n  9  3  1  6     0  0\n  8  2  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl16\n\n>  \n1\n\n>  \n0\n\n$$$$\nalpha-D-Tagatofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.3790    2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9017    2.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3732    0.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0029    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2052    2.7179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9790    1.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0592    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5884    2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8142    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5716    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8126    2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5289    2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  0     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  1     0  0\n  9  3  1  1     0  0\n  8  2  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl17\n\n>  \n1\n\n>  \n0\n\n$$$$\nalpha-D-Talopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.9910    2.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9910    1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2875    0.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5799    1.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2834    2.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1462    2.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6372    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6372    1.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2834    1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9337    1.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9337    2.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5799    2.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  6     0  0\n  8  2  1  1     0  0\n  9  3  1  1     0  0\n 10  4  1  1     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl18\n\n>  \n0\n\n>  \n0\n\n$$$$\nalpha-D-Threofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     1  0            999 V2000\n   -2.8117    2.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3057    1.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9335    1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1388    2.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5229    2.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7458    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5029    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7410    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  4  1  0     0  0\n  8  7  1  0     0  0\n  4  5  1  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  1  1  6     0  0\n  6  2  1  1     0  0\n  7  3  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl19\n\n$$$$\nalpha-D-Xylofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.1648    2.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6588    1.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2948    1.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4919    3.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2554    2.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8760    2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0989    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8560    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0983    2.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8048    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  6     0  0\n  8  3  1  1     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl20\n\n$$$$\nalpha-D-Xylopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.5429    3.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5429    1.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8396    0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1360    1.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8396    3.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1934    2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1934    1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8396    1.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4899    1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4899    2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5 10  1  0     0  0\n 10  9  1  0     0  0\n  9  8  1  0     0  0\n  8  7  1  0     0  0\n  7  6  1  0     0  0\n  6  5  1  0     0  0\n  6  1  1  6     0  0\n  7  2  1  6     0  0\n  8  3  1  1     0  0\n  9  4  1  6     0  0\nM  END\n>  \nalpha-D-Sugars\n\n>  \nlibrary.svg#tmpl21\n\n$$$$\nCyclopenta-1,3-diene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    9.6696   -5.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6696   -4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4243   -4.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1804   -4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1804   -5.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  1  5  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl22\n\n>  \n2\n\n>  \n1\n\n$$$$\n1H-indene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    7.1899   -4.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1899   -5.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0555   -5.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9228   -5.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9228   -4.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0555   -3.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8731   -5.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4601   -4.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8731   -3.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  1  6  2  0     0  0\n  4  7  1  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  5  9  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl23\n\n>  \n6\n\n>  \n7\n\n$$$$\nNaphtalene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n   11.0090   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1429   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1429   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0090   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8751   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8751   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7410   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7410   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6071   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6071   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  6  2  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  8  1  0     0  0\n  7 10  2  0     0  0\n  8  9  2  0     0  0\n  9 10  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl24\n\n>  \n6\n\n>  \n10\n\n$$$$\nAzulene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n   12.4941   -7.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2759   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4941   -5.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5192   -5.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0853   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5192   -7.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2270   -5.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2759   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2270   -7.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8147   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  2  0     0  0\n  1  6  1  0     0  0\n  2  3  1  0     0  0\n  3  4  2  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  7  2  2  0     0  0\n  7 10  1  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n  2  8  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl25\n\n>  \n4\n\n>  \n4\n\n$$$$\nE-Stilbene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 15  0     0  0            999 V2000\n   10.8250   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8250   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3250   -3.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8249   -4.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8249   -4.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3250   -3.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3250   -3.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8250   -4.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8250   -4.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3250   -5.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3250   -5.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8250   -4.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3250   -3.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3250   -3.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  6  2  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n 14  9  1  0     0  0\n 10  9  2  0     0  0\n 10 11  1  0     0  0\n 11 12  2  0     0  0\n 12 13  1  0     0  0\n 13 14  2  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl26\n\n>  \n2\n\n>  \n3\n\n$$$$\nZ-Stilbene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 15  0     0  0            999 V2000\n   12.3750   -3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3750   -3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8750   -4.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3749   -5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3749   -5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8750   -4.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8750   -3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8750   -3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3750   -3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8750   -4.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3750   -5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3750   -5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8750   -4.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3750   -3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  6  2  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  1  7  1  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  9 14  2  0     0  0\n 10 11  2  0     0  0\n 11 12  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl27\n\n>  \n3\n\n>  \n3\n\n$$$$\nAnthracene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 16  0     0  0            999 V2000\n    8.0930   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2269   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2269   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0930   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9591   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9591   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8250   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8250   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6911   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6911   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5571   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5571   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4231   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4231   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  6  2  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  8  1  0     0  0\n  7 10  2  0     0  0\n  8  9  2  0     0  0\n 11 10  1  0     0  0\n  9 10  1  0     0  0\n  9 12  1  0     0  0\n 11 14  2  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl28\n\n>  \n10\n\n>  \n15\n\n$$$$\nPhenantrene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 16  0     0  0            999 V2000\n   10.7760   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9099   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9099   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7760   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6420   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6420   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5080   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5080   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3740   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3740   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5080   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3740   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2401   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2401   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  6  2  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  8  1  0     0  0\n  7 10  2  0     0  0\n  9 10  1  0     0  0\n  8 11  2  0     0  0\n  8  9  1  0     0  0\n  9 14  2  0     0  0\n 11 12  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl29\n\n>  \n0\n\n>  \n0\n\n$$$$\nPyrene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 16 19  0     0  0            999 V2000\n   13.2084   -1.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2084   -2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0732   -3.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9399   -2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9399   -1.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0732   -1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0732   -4.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9399   -4.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8066   -4.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8066   -3.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3434   -3.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3434   -4.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2084   -4.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2065   -5.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0732   -6.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9399   -5.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  1  6  1  0     0  0\n  3  7  2  0     0  0\n  7  8  1  0     0  0\n  8  9  2  0     0  0\n  9 10  1  0     0  0\n  4 10  2  0     0  0\n  2 11  1  0     0  0\n 11 12  2  0     0  0\n 12 13  1  0     0  0\n  7 13  1  0     0  0\n 13 14  2  0     0  0\n 14 15  1  0     0  0\n 15 16  2  0     0  0\n  8 16  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl30\n\n>  \n10\n\n>  \n12\n\n$$$$\nTriphenylene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 21  0     0  0            999 V2000\n   10.5140   -3.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5140   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3807   -4.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2474   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2474   -3.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3807   -2.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6491   -2.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7859   -3.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7859   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6491   -4.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1141   -2.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1141   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2474   -1.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3807   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3807   -5.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2474   -6.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1141   -5.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1141   -4.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  2  3  1  0     0  0\n  3  4  2  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  1  6  1  0     0  0\n  1  7  1  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n  2 10  1  0     0  0\n  5 11  1  0     0  0\n 11 12  2  0     0  0\n 12 13  1  0     0  0\n 13 14  2  0     0  0\n  6 14  1  0     0  0\n  3 15  1  0     0  0\n 15 16  2  0     0  0\n 16 17  1  0     0  0\n 17 18  2  0     0  0\n  4 18  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl31\n\n>  \n7\n\n>  \n8\n\n$$$$\nTriptycene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 20 24  0     0  0            999 V2000\n    9.9580   -4.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9460   -4.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4637   -3.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5123   -3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9580   -2.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5123   -2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3265   -3.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8129   -4.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5262   -5.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3987   -5.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9317   -4.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3151   -3.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4284   -3.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6530   -3.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1683   -4.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0407   -4.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5412   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7350   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4524   -0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7528   -1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  1  5  1  0     0  0\n  5  6  2  0     0  0\n  4  6  1  0     0  0\n  4  7  1  0     0  0\n  1  8  1  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\n 11 12  2  0     0  0\n  7 12  1  0     0  0\n  3 13  1  0     0  0\n 13 14  2  0     0  0\n 14 15  1  0     0  0\n 15 16  2  0     0  0\n  2 16  1  0     0  0\n  5 17  1  0     0  0\n 17 18  2  0     0  0\n 18 19  1  0     0  0\n 19 20  2  0     0  0\n  6 20  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl32\n\n>  \n18\n\n>  \n21\n\n$$$$\n14-Annulene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 14  0     0  0            999 V2000\n   12.0122   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1483   -1.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1861   -2.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8762   -2.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8762   -1.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3221   -2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3221   -3.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1861   -4.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9139   -4.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7779   -3.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7779   -2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1861   -5.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0500   -5.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9139   -5.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  5  2  0     0  0\n  2  3  2  0     0  0\n  4  5  1  0     0  0\n  3  6  1  0     0  0\n  6  7  2  0     0  0\n  7  8  1  0     0  0\n  4 11  2  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\n 14  9  1  0     0  0\n  8 12  2  0     0  0\n 12 13  1  0     0  0\n 13 14  2  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl33\n\n>  \n0\n\n>  \n0\n\n$$$$\n18-Annulene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n    9.2590    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3930    5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3930    4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1250    5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9910    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8570    4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8570    5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8570    2.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7230    3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7230    4.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5270    4.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5270    3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3930    2.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3930    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2590    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1250    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9910    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8570    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  1  4  1  0     0  0\n  2  3  1  0     0  0\n  5  4  2  0     0  0\n  5  7  1  0     0  0\n  6  7  2  0     0  0\n  6 10  1  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n  3 11  2  0     0  0\n 11 12  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\n 14 15  2  0     0  0\n 15 16  1  0     0  0\n 16 17  2  0     0  0\n 18  8  2  0     0  0\n 17 18  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl34\n\n>  \n0\n\n>  \n0\n\n$$$$\nPorphyrin\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 24 28  0     0  0            999 V2000\n    6.4862   -8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1697   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0926   -8.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9419   -7.9790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9418   -7.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1979   -4.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4907   -5.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9262   -6.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8876   -5.8394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0931   -4.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4706   -6.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4476   -5.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7641   -4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8408   -4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0279   -5.8563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9564   -5.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9807   -4.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8077   -9.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4794   -8.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0074   -7.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0106   -7.9610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8407   -8.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9886   -9.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4636   -6.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  2  3  1  0     0  0\n  3  4  2  0     0  0\n  4  5  1  0     0  0\n  1  5  1  0     0  0\n  5 11  2  0     0  0\n  3 23  1  0     0  0\n  6  7  1  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  6 10  2  0     0  0\n 10 17  1  0     0  0\n  8 11  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 15 16  2  0     0  0\n 12 16  1  0     0  0\n 16 24  1  0     0  0\n 14 17  2  0     0  0\n 18 19  2  0     0  0\n 19 20  1  0     0  0\n 20 21  1  0     0  0\n 21 22  1  0     0  0\n 18 22  1  0     0  0\n 22 23  2  0     0  0\n 20 24  2  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl35\n\n>  \n10\n\n>  \n0\n\n$$$$\nPhthalocyanine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 40 48  0     0  0            999 V2000\n   13.9159   -3.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8818   -3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5888   -3.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3301   -4.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3641   -5.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9102   -6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3641   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9102   -7.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3641   -8.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3301   -9.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5888  -10.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8818  -10.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9159  -10.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6571   -9.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7660   -9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9224   -8.0474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8750   -9.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9840   -9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0929   -9.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8341  -10.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8682  -10.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1612  -10.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4199   -9.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3859   -8.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8398   -7.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8276   -8.0474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3859   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8398   -6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3859   -5.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4199   -4.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1612   -3.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8682   -3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8341   -3.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0929   -4.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9840   -4.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8276   -5.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8750   -4.5109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7660   -4.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9224   -5.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6571   -4.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  2  3  1  0     0  0\n  3  4  2  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  2  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\n 11 12  2  0     0  0\n 12 13  1  0     0  0\n 13 14  2  0     0  0\n  9 14  1  0     0  0\n 14 15  1  0     0  0\n 15 16  1  0     0  0\n  8 16  2  0     0  0\n 15 17  2  0     0  0\n 17 18  1  0     0  0\n 18 19  2  0     0  0\n 19 20  1  0     0  0\n 20 21  2  0     0  0\n 21 22  1  0     0  0\n 22 23  2  0     0  0\n 23 24  1  0     0  0\n 19 24  1  0     0  0\n 24 25  2  0     0  0\n 25 26  1  0     0  0\n 18 26  1  0     0  0\n 25 27  1  0     0  0\n 27 28  2  0     0  0\n 28 29  1  0     0  0\n 29 30  2  0     0  0\n 30 31  1  0     0  0\n 31 32  2  0     0  0\n 32 33  1  0     0  0\n 33 34  2  0     0  0\n 29 34  1  0     0  0\n 34 35  1  0     0  0\n 35 36  2  0     0  0\n 28 36  1  0     0  0\n 35 37  1  0     0  0\n 37 38  2  0     0  0\n 38 39  1  0     0  0\n  6 39  1  0     0  0\n 38 40  1  0     0  0\n  1 40  1  0     0  0\n  5 40  2  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl36\n\n>  \n1\n\n>  \n1\n\n$$$$\nC60\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 60 90  0     0  0            999 V2000\n   10.6305   -3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4365   -3.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8444   -4.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4219   -5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5101   -5.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5398   -3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6243   -3.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6091   -4.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2501   -2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0714   -2.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6279   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2354   -2.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7973   -2.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4171   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9548   -0.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1712   -1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7491   -4.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3544   -3.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8607   -5.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0881   -2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1915   -1.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6908   -3.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7895   -2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5564   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2017   -6.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0400   -6.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6031   -6.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3296   -5.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6757   -4.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1284   -6.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5026   -6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7601   -5.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6003   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1810   -6.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8290   -5.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0080   -7.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3450   -7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7432   -6.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1088   -6.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8830   -6.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6700   -4.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0651   -5.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2290   -6.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4556   -3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6990   -2.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8777   -3.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8635   -4.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4704   -2.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0974   -1.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2911   -1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1183   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6963   -2.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5507   -3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9700   -2.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2594   -1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4391   -3.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0504   -5.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2122   -5.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9459   -4.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6724   -4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  1  3  1  0     0  0\n  1 12  1  0     0  0\n  2  4  1  0     0  0\n  2  6  1  0     0  0\n  3 11  2  0     0  0\n  3 35  1  0     0  0\n  4  5  2  0     0  0\n  4 33  1  0     0  0\n  5  8  1  0     0  0\n  5 38  1  0     0  0\n  6  7  2  0     0  0\n  6 13  1  0     0  0\n  7  8  1  0     0  0\n  7 54  1  0     0  0\n  8 59  2  0     0  0\n  9 10  2  0     0  0\n  9 11  1  0     0  0\n  9 20  1  0     0  0\n 10 12  1  0     0  0\n 10 14  1  0     0  0\n 11 19  1  0     0  0\n 12 13  2  0     0  0\n 13 16  1  0     0  0\n 14 15  2  0     0  0\n 14 21  1  0     0  0\n 15 16  1  0     0  0\n 15 50  1  0     0  0\n 16 55  2  0     0  0\n 17 18  1  0     0  0\n 17 19  2  0     0  0\n 17 28  1  0     0  0\n 18 20  2  0     0  0\n 18 22  1  0     0  0\n 19 27  1  0     0  0\n 20 21  1  0     0  0\n 21 24  2  0     0  0\n 22 23  2  0     0  0\n 22 29  1  0     0  0\n 23 24  1  0     0  0\n 23 46  1  0     0  0\n 24 51  1  0     0  0\n 25 26  1  0     0  0\n 25 27  2  0     0  0\n 25 36  1  0     0  0\n 26 28  2  0     0  0\n 26 30  1  0     0  0\n 27 35  1  0     0  0\n 28 29  1  0     0  0\n 29 32  2  0     0  0\n 30 31  2  0     0  0\n 30 37  1  0     0  0\n 31 32  1  0     0  0\n 31 42  1  0     0  0\n 32 47  1  0     0  0\n 33 34  1  0     0  0\n 33 35  2  0     0  0\n 34 36  2  0     0  0\n 34 38  1  0     0  0\n 36 37  1  0     0  0\n 37 40  2  0     0  0\n 38 39  2  0     0  0\n 39 40  1  0     0  0\n 39 58  1  0     0  0\n 40 43  1  0     0  0\n 41 42  1  0     0  0\n 41 44  2  0     0  0\n 41 47  1  0     0  0\n 42 43  2  0     0  0\n 43 57  1  0     0  0\n 44 48  1  0     0  0\n 44 60  1  0     0  0\n 45 46  1  0     0  0\n 45 48  2  0     0  0\n 45 51  1  0     0  0\n 46 47  2  0     0  0\n 48 52  1  0     0  0\n 49 50  1  0     0  0\n 49 52  2  0     0  0\n 49 55  1  0     0  0\n 50 51  2  0     0  0\n 52 56  1  0     0  0\n 53 54  2  0     0  0\n 53 56  1  0     0  0\n 53 59  1  0     0  0\n 54 55  1  0     0  0\n 56 60  2  0     0  0\n 57 58  2  0     0  0\n 57 60  1  0     0  0\n 58 59  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl37\n\n$$$$\nC80\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 80120  0     0  0            999 V2000\n   11.8140   -5.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5730   -4.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3980   -3.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3673   -3.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8724   -5.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8224   -5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6539   -5.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4150   -4.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9660   -2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7771   -1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0084   -2.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3368   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7715   -2.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5128   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3575   -1.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1355   -0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8558   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6671   -4.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4256   -3.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1773   -3.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0790   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2783   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7476   -1.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7551   -0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3396    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9755    0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7881    0.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0200    0.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5229   -1.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3638   -0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1415   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7930   -0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6051   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0017   -1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6029   -2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2792   -3.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3934   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8243   -2.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5823   -2.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0719   -3.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3761   -0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5941   -0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4269   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8338   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0674   -4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5676   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3874   -3.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7983   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7257   -4.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1077   -6.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8850   -5.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4555   -6.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4785   -3.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8925   -4.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7361   -4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1144   -5.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9102   -6.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4615   -6.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2725   -6.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2295   -6.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1717   -6.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5034   -4.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9729   -5.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4956   -5.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2845   -3.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2423   -4.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4737   -4.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9139   -5.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4340   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8516   -2.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6760   -1.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8824   -2.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1818   -1.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8621   -2.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6814   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4502   -0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6453   -5.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6473   -3.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2489   -4.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9708   -3.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  1  5  1  0     0  0\n  1 48  1  0     0  0\n  2  3  1  0     0  0\n  2  4  1  0     0  0\n  3 11  2  0     0  0\n  3 47  1  0     0  0\n  4  8  2  0     0  0\n  4  9  1  0     0  0\n  5  7  2  0     0  0\n  5 59  1  0     0  0\n  6  7  1  0     0  0\n  6 17  2  0     0  0\n  6 60  1  0     0  0\n  7  8  1  0     0  0\n  8 19  1  0     0  0\n  9 10  2  0     0  0\n  9 13  1  0     0  0\n 10 11  1  0     0  0\n 10 12  1  0     0  0\n 11 23  1  0     0  0\n 12 16  2  0     0  0\n 12 21  1  0     0  0\n 13 15  2  0     0  0\n 13 19  1  0     0  0\n 14 15  1  0     0  0\n 14 20  2  0     0  0\n 14 29  1  0     0  0\n 15 16  1  0     0  0\n 16 31  1  0     0  0\n 17 18  1  0     0  0\n 17 77  1  0     0  0\n 18 19  2  0     0  0\n 18 20  1  0     0  0\n 20 80  1  0     0  0\n 21 22  2  0     0  0\n 21 25  1  0     0  0\n 22 23  1  0     0  0\n 22 24  1  0     0  0\n 23 35  2  0     0  0\n 24 28  2  0     0  0\n 24 33  1  0     0  0\n 25 27  1  0     0  0\n 25 31  2  0     0  0\n 26 27  2  0     0  0\n 26 32  1  0     0  0\n 26 41  1  0     0  0\n 27 28  1  0     0  0\n 28 43  1  0     0  0\n 29 30  2  0     0  0\n 29 73  1  0     0  0\n 30 31  1  0     0  0\n 30 32  1  0     0  0\n 32 76  2  0     0  0\n 33 34  2  0     0  0\n 33 37  1  0     0  0\n 34 35  1  0     0  0\n 34 36  1  0     0  0\n 35 47  1  0     0  0\n 36 40  1  0     0  0\n 36 45  2  0     0  0\n 37 39  2  0     0  0\n 37 43  1  0     0  0\n 38 39  1  0     0  0\n 38 44  2  0     0  0\n 38 53  1  0     0  0\n 39 40  1  0     0  0\n 40 55  2  0     0  0\n 41 42  1  0     0  0\n 41 69  2  0     0  0\n 42 43  2  0     0  0\n 42 44  1  0     0  0\n 44 72  1  0     0  0\n 45 46  1  0     0  0\n 45 49  1  0     0  0\n 46 47  2  0     0  0\n 46 48  1  0     0  0\n 48 52  2  0     0  0\n 49 51  2  0     0  0\n 49 55  1  0     0  0\n 50 51  1  0     0  0\n 50 56  1  0     0  0\n 50 57  2  0     0  0\n 51 52  1  0     0  0\n 52 59  1  0     0  0\n 53 54  2  0     0  0\n 53 65  1  0     0  0\n 54 55  1  0     0  0\n 54 56  1  0     0  0\n 56 68  2  0     0  0\n 57 58  1  0     0  0\n 57 61  1  0     0  0\n 58 59  2  0     0  0\n 58 60  1  0     0  0\n 60 64  2  0     0  0\n 61 63  2  0     0  0\n 61 68  1  0     0  0\n 62 63  1  0     0  0\n 62 66  1  0     0  0\n 62 78  2  0     0  0\n 63 64  1  0     0  0\n 64 77  1  0     0  0\n 65 67  2  0     0  0\n 65 72  1  0     0  0\n 66 67  1  0     0  0\n 66 70  2  0     0  0\n 67 68  1  0     0  0\n 69 71  1  0     0  0\n 69 76  1  0     0  0\n 70 71  1  0     0  0\n 70 74  1  0     0  0\n 71 72  2  0     0  0\n 73 75  1  0     0  0\n 73 80  2  0     0  0\n 74 75  2  0     0  0\n 74 78  1  0     0  0\n 75 76  1  0     0  0\n 77 79  2  0     0  0\n 78 79  1  0     0  0\n 79 80  1  0     0  0\nM  END\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl38\n\n$$$$\nbeta-D-Allopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.8119    2.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8119    1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1792    0.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5466    1.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1834    2.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1462    2.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4956    2.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4956    1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1834    1.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8670    1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8670    2.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5466    2.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  6     0  0\n  9  3  1  6     0  0\n 10  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl39\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Altropyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -0.9910    2.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9910    0.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2875    0.0452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5799    0.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2834    2.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1462    1.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6372    1.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6372    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2834    0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9337    1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9337    1.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5799    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  1     0  0\n  9  3  1  6     0  0\n 10  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl40\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Arabinofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -1.4482    2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9421    0.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5781    0.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7753    2.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5387    1.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1593    2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3822    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1394    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3816    2.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0881    2.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  1     0  0\n  8  3  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl41\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Arabinopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   15.5611   -5.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5611   -7.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8228   -8.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0958   -7.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8228   -5.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6920   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6920   -6.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8228   -7.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9648   -6.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9648   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5 10  1  0     0  0\n 10  9  1  0     0  0\n  9  8  1  0     0  0\n  8  7  1  0     0  0\n  7  6  1  0     0  0\n  6  5  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  1     0  0\n  8  3  1  6     0  0\n  9  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl42\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Erythrofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     1  0            999 V2000\n   -2.3742    2.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8682    1.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4960    1.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7013    2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0854    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3125    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0613    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3035    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  4  1  0     0  0\n  8  7  1  0     0  0\n  4  5  1  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  1  1  1     0  0\n  6  2  1  6     0  0\n  7  3  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl43\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Fructofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.6256    2.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1524    2.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6198    1.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2536    1.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4559    2.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2256    2.1362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3100    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8350    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0608    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8182    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0592    2.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7755    2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  0     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  6     0  0\n  9  3  1  1     0  0\n  8  2  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl44\n\n>  \n1\n\n>  \n0\n\n$$$$\nbeta-D-Galactopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.5577    2.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5577    1.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8542    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1466    1.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8543    2.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7171    2.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2039    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2039    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8543    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5004    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5004    2.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1466    2.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  6     0  0\n  9  3  1  1     0  0\n 10  4  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl45\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Glucopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -2.1744    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1744    1.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4708    0.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7632    1.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4709    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3337    2.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8206    2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8206    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4709    1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1170    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1170    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7632    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  6     0  0\n  9  3  1  1     0  0\n 10  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl46\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Gulopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -2.1119    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1119    1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4083    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7007    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4084    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2712    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7581    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7581    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4084    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0545    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0545    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7007    2.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  6     0  0\n  9  3  1  6     0  0\n 10  4  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl47\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Idopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.9244    2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9244    1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2208    0.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5132    1.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2209    2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0837    2.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5706    2.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5706    1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2209    1.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8670    1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8670    2.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5132    2.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  1     0  0\n  9  3  1  6     0  0\n 10  4  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl48\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Lyxofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.1148    2.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6088    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2406    1.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4419    3.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2054    2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8260    2.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0531    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8102    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0483    2.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7589    2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  1     0  0\n  8  3  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl49\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Lyxopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.4513    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4513    1.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7520    0.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0444    1.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7521    2.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1017    2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1017    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7521    1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3940    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3940    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 10  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  1     0  0\n  8  3  1  1     0  0\n  9  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl50\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Mannopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -2.1577    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1577    1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4542    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7466    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4543    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3171    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8039    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8039    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4543    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1004    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1004    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7466    2.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  1     0  0\n  9  3  1  1     0  0\n 10  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl51\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Psicofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   14.8241   -7.1535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1260   -7.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4964   -9.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3201   -9.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3854   -6.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0166   -7.9337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9157   -6.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2090   -7.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9075   -8.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8961   -8.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5799   -7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6232   -7.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  6     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  6     0  0\n  9  3  1  6     0  0\n  8  2  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl52\n\n>  \n1\n\n>  \n0\n\n$$$$\nbeta-D-Ribofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -1.8940    2.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3879    1.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0198    1.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2211    2.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9845    2.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6051    2.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8322    1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5894    1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8274    2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5381    2.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  6     0  0\n  8  3  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl53\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Ribopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.1138    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1138    1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4145    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7069    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4146    2.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7642    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7642    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4146    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0565    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0565    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 10  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  6     0  0\n  8  3  1  6     0  0\n  9  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl54\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Sorbofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.6290    2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1517    2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6232    1.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2529    1.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4552    2.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2290    2.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3092    2.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8384    2.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0642    1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8216    1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0626    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7789    2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  0     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  1     0  0\n  9  3  1  6     0  0\n  8  2  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl55\n\n>  \n1\n\n>  \n0\n\n$$$$\nbeta-D-Tagatofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.3790    2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9017    2.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3732    0.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0029    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2052    2.7179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9790    1.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0592    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5884    2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8142    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5716    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8126    2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5289    2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11  5  1  0     0  0\n 11 10  1  0     0  0\n  5  8  1  0     0  0\n 10  9  1  0     0  0\n  8  9  1  0     0  0\n  8  7  1  0     0  0\n  7  1  1  0     0  0\n 11 12  1  1     0  0\n 12  6  1  0     0  0\n 10  4  1  1     0  0\n  9  3  1  1     0  0\n  8  2  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl56\n\n>  \n1\n\n>  \n0\n\n$$$$\nbeta-D-Talopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     1  0            999 V2000\n   -1.9910    2.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9910    1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2875    0.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5799    1.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2834    2.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1462    2.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6372    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6372    1.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2834    1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9337    1.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9337    2.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5799    2.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6 12  1  0     0  0\n 11  5  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  1     0  0\n  7  1  1  1     0  0\n  8  2  1  1     0  0\n  9  3  1  1     0  0\n 10  4  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl57\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Threofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     1  0            999 V2000\n   -2.8117    2.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3057    1.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9335    1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1388    2.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5229    2.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7458    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5029    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7410    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  4  1  0     0  0\n  8  7  1  0     0  0\n  4  5  1  0     0  0\n  7  6  1  0     0  0\n  5  6  1  0     0  0\n  5  1  1  1     0  0\n  6  2  1  1     0  0\n  7  3  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl58\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Xylofuranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.1648    2.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6588    1.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2948    1.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4919    3.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2554    2.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8760    2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0989    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8560    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0983    2.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8048    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  4  1  0     0  0\n  9  8  1  0     0  0\n  4  6  1  0     0  0\n  8  7  1  0     0  0\n  6  7  1  0     0  0\n  9 10  1  1     0  0\n 10  5  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  6     0  0\n  8  3  1  1     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl59\n\n>  \n0\n\n>  \n0\n\n$$$$\nbeta-D-Xylopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     1  0            999 V2000\n   -2.5429    3.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5429    1.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8396    0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1360    1.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8396    3.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1934    2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1934    1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8396    1.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4899    1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4899    2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5 10  1  0     0  0\n 10  9  1  0     0  0\n  9  8  1  0     0  0\n  8  7  1  0     0  0\n  7  6  1  0     0  0\n  6  5  1  0     0  0\n  6  1  1  1     0  0\n  7  2  1  6     0  0\n  8  3  1  1     0  0\n  9  4  1  6     0  0\nM  END\n>  \nbeta-D-Sugars\n\n>  \nlibrary.svg#tmpl60\n\n>  \n0\n\n>  \n0\n\n$$$$\nBicyclo[1-1-1]pentane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  6  0     0  0            999 V2000\n    9.8610   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4888   -6.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5708   -7.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8036   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9790   -7.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  4  5  1  0     0  0\n  1  5  1  0     0  0\n  4  3  1  0     0  0\n  2  4  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl61\n\n>  \n2\n\n>  \n1\n\n$$$$\nBicyclo[2-1-1]hexane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  7  0     0  0            999 V2000\n    9.7097   -6.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3181   -5.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4180   -6.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6494   -7.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7820   -7.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4069   -7.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  3  6  1  0     0  0\n  4  5  1  0     0  0\n  4  6  1  0     0  0\n  1  5  1  0     0  0\n  2  4  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl62\n\n>  \n5\n\n>  \n2\n\n$$$$\nBicyclo[2-2-1]heptane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  8  0     0  0            999 V2000\n    8.4502   -7.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8558   -6.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5667   -6.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3112   -7.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3890   -5.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4498   -6.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1221   -7.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  4  1  0     0  0\n  4  5  1  0     0  0\n  5  3  1  0     0  0\n  3  6  1  0     0  0\n  6  7  1  0     0  0\n  7  4  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl63\n\n>  \n6\n\n>  \n6\n\n$$$$\nBicyclo[3-1-1]heptane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  8  0     0  0            999 V2000\n    8.2782   -1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5291   -2.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9238   -2.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7847   -2.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6209   -1.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3670   -1.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6898   -3.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\n  1  6  1  0     0  0\n  6  2  1  0     0  0\n  1  7  1  0     0  0\n  7  4  1  0     0  0\n  4  3  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl64\n\n>  \n1\n\n>  \n0\n\n$$$$\nBicyclo[2-2-2]octane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  9  0     0  0            999 V2000\n   10.8583   -6.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9678   -6.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6767   -5.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9692   -6.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1340   -4.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7980   -5.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8417   -5.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8429   -4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  6  1  0     0  0\n  4  7  1  0     0  0\n  5  8  1  0     0  0\n  6  7  1  0     0  0\n  6  8  1  0     0  0\n  5  2  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl65\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[3-2-1]octane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  9  0     0  0            999 V2000\n    9.0974   -5.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4087   -6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7744   -6.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5802   -6.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4086   -5.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2389   -5.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9413   -6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7036   -6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\n  1  6  1  0     0  0\n  6  2  1  0     0  0\n  4  7  1  0     0  0\n  1  8  1  0     0  0\n  7  8  1  0     0  0\n  4  3  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl66\n\n>  \n1\n\n>  \n7\n\n$$$$\nBicyclo[4-1-1]octane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  9  0     0  0            999 V2000\n    9.6925   -6.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0458   -6.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3397   -7.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2905   -6.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9462   -6.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7017   -6.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0038   -6.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8230   -5.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  1  1  0     0  0\n  7  2  1  0     0  0\n  8  1  1  0     0  0\n  1  7  1  0     0  0\n  8  2  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl67\n\n>  \n6\n\n>  \n2\n\n$$$$\nBicyclo[4-1-1]octane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  9  0     0  0            999 V2000\n   10.2044   -7.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5546   -7.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4884   -7.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8148   -7.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4736   -7.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2224   -6.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3764   -8.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3337   -6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  1  1  0     0  0\n  7  2  1  0     0  0\n  8  1  1  0     0  0\n  1  7  1  0     0  0\n  8  2  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl68\n\n>  \n6\n\n>  \n2\n\n$$$$\nBicyclo[3-2-2]nonane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    8.9873   -5.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9396   -4.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9753   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0774   -6.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5071   -5.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2317   -7.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8683   -7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5608   -6.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5275   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  1  4  1  0     0  0\n  2  5  1  0     0  0\n  3  6  1  0     0  0\n  4  7  1  0     0  0\n  5  8  1  0     0  0\n  6  9  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl69\n\n>  \n5\n\n>  \n5\n\n$$$$\nBicyclo[3-3-1]nonane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    8.9718   -5.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8721   -5.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4727   -5.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5289   -7.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5522   -7.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0453   -6.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7203   -6.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3240   -5.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6297   -4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  1  6  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\n  3  9  1  0     0  0\n  9  1  1  0     0  0\n  1  2  1  0     0  0\n  2  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl70\n\n>  \n4\n\n>  \n1\n\n$$$$\nBicyclo[4-2-1]nonane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    9.1712   -6.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1464   -6.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8839   -5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6571   -5.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6761   -5.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9410   -6.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9661   -6.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7138   -6.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9410   -4.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  6  9  1  0     0  0\n  9  5  1  0     0  0\n  8  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl71\n\n>  \n6\n\n>  \n9\n\n$$$$\nBicyclo[4-2-1]nonane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    9.8115   -5.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9067   -6.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8460   -5.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6107   -5.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6184   -5.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8802   -6.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7040   -6.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6444   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8802   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  6  9  1  0     0  0\n  9  5  1  0     0  0\n  8  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl72\n\n>  \n6\n\n>  \n9\n\n$$$$\nBicyclo[4-2-1]nonane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    7.9553   -6.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1245   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8626   -5.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8073   -5.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6505   -5.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9147   -6.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9374   -6.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6857   -6.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8236   -4.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n  8  7  1  0     0  0\n  9  6  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl73\n\n>  \n6\n\n>  \n8\n\n$$$$\nBicyclo[5-1-1]nonane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    7.7834   -6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6536   -6.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4441   -5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1897   -5.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3360   -5.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0166   -6.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7177   -6.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6682   -6.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6683   -5.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  3  1  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  2  1  0     0  0\n  3  9  1  0     0  0\n  2  9  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl74\n\n>  \n5\n\n>  \n4\n\n$$$$\nBicyclo[3-3-2]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    9.6949   -6.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6532   -5.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6838   -7.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8949   -7.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2198   -6.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9375   -8.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5821   -8.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2787   -7.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2352   -7.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0125   -6.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  1  4  1  0     0  0\n  2  5  1  0     0  0\n  3  6  1  0     0  0\n  5  8  1  0     0  0\n  6  9  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  4 10  1  0     0  0\n 10  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl75\n\n>  \n5\n\n>  \n4\n\n$$$$\nBicyclo[4-2-2]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    8.8472   -8.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7259   -7.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4386   -7.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2848   -6.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3998   -7.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6896   -7.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8114   -8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5351   -7.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5895   -6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8736   -6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n  8  7  1  0     0  0\n 10  6  1  0     0  0\n  9 10  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl76\n\n>  \n6\n\n>  \n8\n\n$$$$\nBicyclo[4-2-2]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    8.7142   -6.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8068   -6.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5207   -5.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5526   -5.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4737   -5.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7622   -5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8793   -6.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6043   -5.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6627   -4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9456   -4.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n  8  7  1  0     0  0\n 10  6  1  0     0  0\n  9 10  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl77\n\n>  \n6\n\n>  \n8\n\n$$$$\nBicyclo[4-2-2]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    8.8948   -6.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1410   -7.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0133   -6.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6416   -5.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5699   -5.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8608   -6.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9867   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7095   -6.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7603   -4.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0456   -5.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n  8  7  1  0     0  0\n 10  6  1  0     0  0\n  9 10  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl78\n\n>  \n6\n\n>  \n8\n\n$$$$\nBicyclo[4-3-1]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    9.3349   -6.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2468   -6.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9681   -5.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7891   -5.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8711   -5.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1522   -6.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1339   -6.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6912   -5.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0551   -4.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6319   -5.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n  9  6  1  0     0  0\n 10  8  1  0     0  0\n 10  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl79\n\n>  \n9\n\n>  \n1\n\n$$$$\nBicyclo[4-3-1]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    8.8223   -6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1166   -6.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8745   -6.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5558   -5.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5492   -5.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8328   -6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6175   -6.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4940   -5.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7350   -4.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3255   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n  9  6  1  0     0  0\n 10  8  1  0     0  0\n 10  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl80\n\n>  \n9\n\n>  \n1\n\n$$$$\nBicyclo[4-3-1]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    9.4787   -5.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3279   -5.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0029   -5.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0617   -6.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0396   -7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5557   -6.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1589   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8008   -5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1673   -4.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6327   -5.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  1  6  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\n  3  9  1  0     0  0\n  9  1  1  0     0  0\n  1  2  1  0     0  0\n 10  2  1  0     0  0\n 10  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl81\n\n>  \n4\n\n>  \n10\n\n$$$$\nBicyclo[4-3-1]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    8.5704   -6.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0229   -7.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0468   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2626   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4354   -7.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7455   -6.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6855   -7.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7071   -7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1753   -5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0646   -7.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\n  3  9  1  0     0  0\n  9  1  1  0     0  0\n  1  2  1  0     0  0\n 10  2  1  0     0  0\n 10  7  1  0     0  0\n  1  6  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl82\n\n>  \n4\n\n>  \n9\n\n$$$$\nBicyclo[5-2-1]decane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    8.3634   -6.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5495   -7.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5102   -6.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2905   -6.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0719   -5.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2732   -5.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9866   -6.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6733   -7.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5735   -7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5254   -5.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  4  1  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9  3  1  0     0  0\n  4 10  1  0     0  0\n  3 10  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl83\n\n>  \n6\n\n>  \n0\n\n$$$$\nBicyclo[3-3-3]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    9.9074   -6.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8681   -5.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8403   -6.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1527   -6.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4592   -6.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0797   -7.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8576   -7.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5146   -7.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4171   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3203   -6.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7496   -5.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  1  4  1  0     0  0\n  3  6  1  0     0  0\n  5  8  1  0     0  0\n  6  9  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  4 10  1  0     0  0\n 10  7  1  0     0  0\n 11  5  1  0     0  0\n 11  2  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl84\n\n>  \n5\n\n>  \n3\n\n$$$$\nBicyclo[4-3-2]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    7.6205   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4403   -6.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1378   -5.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0284   -5.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2020   -5.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5071   -6.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5718   -6.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0916   -5.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2122   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1122   -5.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5429   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n 10  8  1  0     0  0\n 10  7  1  0     0  0\n 11  6  1  0     0  0\n 11  9  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl85\n\n>  \n9\n\n>  \n1\n\n$$$$\nBicyclo[4-3-2]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    7.3641   -7.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6057   -7.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3457   -7.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0778   -6.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1454   -6.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4502   -7.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2932   -7.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1606   -7.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1660   -5.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0543   -6.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5281   -6.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  5  1  0     0  0\n  9  5  1  0     0  0\n 10  8  1  0     0  0\n 10  7  1  0     0  0\n 11  6  1  0     0  0\n 11  9  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl86\n\n>  \n9\n\n>  \n1\n\n$$$$\nBicyclo[4-3-2]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    9.7033   -5.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5086   -5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2474   -5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3085   -7.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2474   -7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7831   -6.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3333   -6.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9996   -5.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4180   -4.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7872   -5.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9628   -5.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  1  6  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\n  9  1  1  0     0  0\n  1  2  1  0     0  0\n 10  2  1  0     0  0\n 10  7  1  0     0  0\n 11  3  1  0     0  0\n 11  9  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl87\n\n>  \n4\n\n>  \n9\n\n$$$$\nBicyclo[4-3-2]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    9.5890   -6.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0222   -6.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0821   -5.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3408   -5.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5198   -6.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8056   -6.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6729   -6.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7305   -6.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4155   -4.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0302   -6.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7926   -5.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\n  3  9  1  0     0  0\n  1  2  1  0     0  0\n 10  2  1  0     0  0\n 10  7  1  0     0  0\n 11  1  1  0     0  0\n 11  9  1  0     0  0\n  1  6  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl88\n\n>  \n4\n\n>  \n1\n\n$$$$\nBicyclo[4-4-1]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    7.3728   -6.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5265   -6.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7360   -7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7807   -7.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6269   -7.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4231   -6.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6410   -5.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3196   -6.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5235   -7.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6773   -7.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2693   -6.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\n 10  9  1  0     0  0\n  5 10  1  0     0  0\n 11  6  1  0     0  0\n  7  5  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl89\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[4-4-1]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    7.9403   -6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8374   -6.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0510   -7.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1162   -7.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9789   -7.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7711   -6.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9934   -5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5477   -6.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9126   -7.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0498   -7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8001   -6.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\n 10  9  1  0     0  0\n  5 10  1  0     0  0\n 11  6  1  0     0  0\n  7  5  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl90\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[4-4-1]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    8.3680   -5.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7511   -6.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9725   -6.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5503   -6.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4446   -5.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2291   -5.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4595   -4.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0708   -5.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4489   -5.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5546   -6.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2957   -5.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\n 10  9  1  0     0  0\n  5 10  1  0     0  0\n 11  6  1  0     0  0\n  7  5  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl91\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[5-3-1]undecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    7.4699   -5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9044   -6.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8921   -6.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7678   -6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5569   -5.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3072   -5.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4607   -5.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1456   -5.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8448   -6.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7887   -6.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7825   -4.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  5  1  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10  4  1  0     0  0\n  5 11  1  0     0  0\n  4 11  1  0     0  0\n  2  1  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl92\n\n>  \n1\n\n>  \n0\n\n$$$$\nBicyclo[4-4-2]dodecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 13  0     0  0            999 V2000\n    7.9693   -5.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0472   -5.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2754   -6.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4140   -6.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3360   -6.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1138   -5.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1109   -4.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1806   -5.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4028   -6.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4808   -6.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0361   -5.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3405   -4.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\n 10  9  1  0     0  0\n  5 10  1  0     0  0\n 11  6  1  0     0  0\n 12  5  1  0     0  0\n 12  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl93\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 13  0     0  0            999 V2000\n    6.8935   -6.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6766   -5.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9121   -6.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0877   -6.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0396   -6.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8103   -5.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8078   -4.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7709   -5.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1734   -6.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2215   -6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9457   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0429   -5.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\n 10  9  1  0     0  0\n  5 10  1  0     0  0\n 11  6  1  0     0  0\n 12  5  1  0     0  0\n 12  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl94\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 13  0     0  0            999 V2000\n    6.5042   -6.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8305   -7.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0721   -7.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7035   -7.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6802   -6.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4449   -6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4449   -4.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4564   -6.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8695   -6.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8927   -6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6100   -6.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6889   -5.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\n 10  9  1  0     0  0\n  5 10  1  0     0  0\n 11  6  1  0     0  0\n 12  5  1  0     0  0\n 12  7  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl95\n\n>  \n1\n\n>  \n1\n\n$$$$\nBicyclo[5-3-2]dodecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 13  0     0  0            999 V2000\n    7.9640   -5.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3691   -6.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4082   -6.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3295   -6.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0216   -5.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8969   -5.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1103   -5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8309   -6.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5145   -6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4035   -6.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0255   -4.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3287   -5.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  5  1  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10  4  1  0     0  0\n  2  1  1  0     0  0\n 11  5  1  0     0  0\n 12  4  1  0     0  0\n 11 12  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl96\n\n>  \n1\n\n>  \n0\n\n$$$$\nBicyclo[5-4-1]dodecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 13  0     0  0            999 V2000\n    7.7173   -5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8210   -5.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0428   -6.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1495   -6.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0457   -5.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8297   -5.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5976   -4.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7781   -5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4790   -5.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1712   -6.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0905   -6.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0605   -4.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11  5  1  0     0  0\n  6 12  1  0     0  0\n  5 12  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl97\n\n>  \n8\n\n>  \n7\n\n$$$$\nBicyclo[5-3-3]tridecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 14  0     0  0            999 V2000\n    8.4981   -5.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2280   -4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0887   -4.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2012   -4.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4418   -5.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8730   -6.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7468   -5.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9461   -5.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4646   -4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5590   -4.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1539   -5.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8112   -6.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5669   -6.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0     0  0\n  4  3  1  0     0  0\n  2  4  1  0     0  0\n  5  6  1  0     0  0\n  7  1  1  0     0  0\n  8  7  1  0     0  0\n  8  6  1  0     0  0\n  1  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  0     0  0\n 12 13  1  0     0  0\n 13  5  1  0     0  0\n  3  5  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl98\n\n>  \n10\n\n>  \n9\n\n$$$$\nBicyclo[5-4-2]tridecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 14  0     0  0            999 V2000\n    7.4687   -5.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5107   -5.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7478   -6.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9306   -6.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8885   -6.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6576   -5.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4784   -5.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7402   -5.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4893   -5.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1604   -6.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0052   -6.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6549   -4.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8882   -5.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11  5  1  0     0  0\n 12  6  1  0     0  0\n 13  5  1  0     0  0\n 13 12  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl99\n\n>  \n8\n\n>  \n7\n\n$$$$\nBicyclo[5-5-1]tridecane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 14  0     0  0            999 V2000\n    7.5850   -5.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5169   -6.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6632   -7.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8369   -7.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7693   -6.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5517   -6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3258   -5.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5160   -5.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2226   -6.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9123   -6.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8227   -7.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7845   -5.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0774   -6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11  5  1  0     0  0\n  6 12  1  0     0  0\n  5 12  1  0     0  0\n 13  3  1  0     0  0\n 13  2  1  0     0  0\nM  END\n>  \nBicycles\n\n>  \nlibrary.svg#tmpl100\n\n>  \n8\n\n>  \n6\n\n$$$$\nAdamantane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 12  0     0  0            999 V2000\n    7.5634   -6.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4530   -6.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4530   -5.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9968   -4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1070   -4.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1070   -5.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9968   -6.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8866   -5.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3428   -6.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8866   -4.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  4 10  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  2  9  1  0     0  0\n  1  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  5  6  1  0     0  0\n  8 10  1  0     0  0\n  2  3  1  0     0  0\nM  END\n>  \nBridged Polycyclics\n\n>  \nlibrary.svg#tmpl101\n\n>  \n1\n\n>  \n0\n\n$$$$\nCubane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8 12  0     0  0            999 V2000\n    7.9520   -5.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6899   -4.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6650   -6.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9597   -6.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9872   -5.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2488   -5.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4012   -5.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6964   -6.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0     0  0\n  3  1  1  0     0  0\n  1  6  1  0     0  0\n  2  5  1  0     0  0\n  7  2  1  0     0  0\n  3  4  1  0     0  0\n  7  3  1  0     0  0\n  4  6  1  0     0  0\n  8  4  1  0     0  0\n  5  6  1  0     0  0\n  8  5  1  0     0  0\n  8  7  1  0     0  0\nM  END\n>  \nBridged Polycyclics\n\n>  \nlibrary.svg#tmpl102\n\n>  \n7\n\n>  \n11\n\n$$$$\nPrismane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  9  0     0  0            999 V2000\n    7.7612   -4.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0907   -4.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1698   -4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1678   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0887   -5.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7593   -5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0     0  0\n  3  1  1  0     0  0\n  3  2  1  0     0  0\n  4  5  1  0     0  0\n  4  6  1  0     0  0\n  5  6  1  0     0  0\n  1  6  1  0     0  0\n  3  4  1  0     0  0\n  2  5  1  0     0  0\nM  END\n>  \nBridged Polycyclics\n\n>  \nlibrary.svg#tmpl103\n\n>  \n3\n\n>  \n7\n\n$$$$\nTwistane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 12  0     0  0            999 V2000\n   10.9227   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6642   -4.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5688   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8274   -4.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7871   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5284   -6.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6238   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8825   -6.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7835   -5.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6165   -5.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0     0  0\n  2  4  1  0     0  0\n  3  4  1  0     0  0\n  5  6  1  0     0  0\n  7  5  1  0     0  0\n  8  7  1  0     0  0\n  9  3  1  0     0  0\n  9  6  1  0     0  0\n 10  1  1  0     0  0\n 10  8  1  0     0  0\n  1  6  1  0     0  0\n  3  8  1  0     0  0\nM  END\n>  \nBridged Polycyclics\n\n>  \nlibrary.svg#tmpl104\n\n>  \n0\n\n>  \n1\n\n$$$$\n12-Crown-4\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     0  0            999 V2000\n    9.6950   -4.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6961   -3.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7230   -3.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4895   -2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4888   -2.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2724   -3.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3039   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3039   -5.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2718   -5.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4935   -6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4934   -6.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7126   -5.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  0     0  0\n 12  1  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl105\n\n>  \n0\n\n>  \n0\n\n$$$$\n13-Crown-4\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 13  0     0  0            999 V2000\n    6.2108   -5.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2098   -4.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1789   -6.0710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1735   -4.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3479   -7.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3527   -3.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3428   -7.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3459   -3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7617   -6.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7571   -4.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7493   -6.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7528   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2902   -5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 13  1  0     0  0\n  1  2  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl106\n\n>  \n0\n\n>  \n0\n\n$$$$\n14-Crown-4\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 14  0     0  0            999 V2000\n   11.4453   -5.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9013   -4.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9150   -5.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9132   -4.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9274   -5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5059   -3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5286   -6.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4978   -3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5308   -6.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1114   -4.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1336   -5.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1388   -4.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1473   -5.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6047   -5.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 14  1  0     0  0\n 13 14  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl107\n\n$$$$\n15-Crown-5\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 15 15  0     0  0            999 V2000\n    9.3051   -3.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1168   -4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4997   -4.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8472   -5.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6861   -3.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6483   -5.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8859   -4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3419   -6.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1594   -5.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3292   -6.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3517   -5.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0217   -7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6728   -6.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0073   -7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6647   -6.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 14  1  0     0  0\n 13 15  1  0     0  0\n 14 15  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl108\n\n$$$$\n16-Crown-5\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 16 16  0     0  0            999 V2000\n   10.1579   -7.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3604   -8.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8558   -7.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5517   -7.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6502   -6.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7522   -8.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4079   -5.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9519   -7.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3921   -5.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2224   -7.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3715   -4.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3998   -6.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4688   -3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5949   -5.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5786   -4.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5857   -5.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 14  1  0     0  0\n 13 15  1  0     0  0\n 14 16  1  0     0  0\n 15 16  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl109\n\n>  \n0\n\n>  \n0\n\n$$$$\n17-Crown-5\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     0  0            999 V2000\n   11.0779   -6.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1260   -6.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2569   -7.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4815   -7.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7011   -7.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8165   -7.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8151   -6.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8549   -6.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6443   -5.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4333   -4.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3911   -5.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9204   -4.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9543   -4.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4969   -5.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4504   -4.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2557   -5.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1487   -7.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  6  7  1  0     0  0\n 11 12  1  0     0  0\n 12 13  1  0     0  0\n 13 14  1  0     0  0\n 10 11  1  0     0  0\n 15 16  1  0     0  0\n 14 15  1  0     0  0\n 16  1  1  0     0  0\n  2 17  1  0     0  0\n 17  3  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl110\n\n$$$$\n18-Crown-6\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n   12.0989   -6.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0984   -7.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1742   -7.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2561   -8.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3671   -9.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5542   -8.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7470   -9.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8655   -8.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9673   -7.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0511   -7.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0591   -6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9807   -6.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8891   -5.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7538   -4.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5585   -5.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3625   -4.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2539   -5.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1740   -6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  3  4  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n  7  8  1  0     0  0\n 12 13  1  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 11 12  1  0     0  0\n 16 17  1  0     0  0\n 17 18  1  0     0  0\n 15 16  1  0     0  0\n  1 18  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl111\n\n$$$$\n20-Crown-6\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 20 20  0     0  0            999 V2000\n   12.9696   -6.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4562   -7.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4568   -5.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4567   -7.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4506   -5.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2686   -8.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2545   -4.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3166   -8.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3019   -4.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5590   -8.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5486   -5.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7892   -4.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8656   -8.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8443   -4.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6577   -7.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6557   -5.9166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6451   -7.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6382   -5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1304   -6.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8033   -8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 11 12  1  0     0  0\n 13 15  1  0     0  0\n 14 16  1  0     0  0\n 15 17  1  0     0  0\n 16 18  1  0     0  0\n 17 19  1  0     0  0\n 18 19  1  0     0  0\n 12 14  1  0     0  0\n 13 20  1  0     0  0\n 10 20  1  0     0  0\n  3  1  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl112\n\n$$$$\n21-Crown-7\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 21 21  0     0  0            999 V2000\n    9.2476   -4.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3448   -4.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3272   -5.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3374   -5.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0975   -6.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8706   -7.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4253   -8.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0491   -8.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0215   -8.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4631   -9.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4605   -9.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8988   -8.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8812   -8.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5114   -8.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7121   -4.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8084   -4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0256   -4.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1044   -7.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7139   -5.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9025   -6.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6937   -5.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  3  4  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n  7  8  1  0     0  0\n 12 13  1  0     0  0\n 13 14  1  0     0  0\n 11 12  1  0     0  0\n 15 16  1  0     0  0\n 16 17  1  0     0  0\n  1 17  1  0     0  0\n 14 18  1  0     0  0\n 19 15  1  0     0  0\n 18 20  1  0     0  0\n 19 21  1  0     0  0\n 20 21  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl113\n\n>  \n0\n\n>  \n0\n\n$$$$\n24-Crown-8\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 24 24  0     0  0            999 V2000\n    9.0714   -9.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5688   -8.6839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0589   -9.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5317   -9.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5767   -8.6753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2612   -8.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6218   -8.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9970   -7.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9000   -8.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8824   -6.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1947   -7.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8855   -5.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3145   -6.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0044   -5.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3384   -5.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2885   -4.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2280   -5.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5636   -3.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9695   -4.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6083   -4.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7013   -3.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1273   -3.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6397   -4.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1264   -3.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 14  1  0     0  0\n 13 15  1  0     0  0\n 14 16  1  0     0  0\n 15 17  1  0     0  0\n 16 18  1  0     0  0\n 17 19  1  0     0  0\n 18 20  1  0     0  0\n 19 21  1  0     0  0\n 20 22  1  0     0  0\n 21 23  1  0     0  0\n 22 24  1  0     0  0\n 23 24  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl114\n\n$$$$\n27-Crown-9\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 27 27  0     0  0            999 V2000\n   12.8715   -5.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4227   -6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3172   -4.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2176   -6.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3116   -4.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0558   -7.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0873   -3.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1143   -8.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2476   -9.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3689   -4.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6009   -3.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1290   -3.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5183   -9.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6486   -3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9884  -10.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4426   -9.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4301   -4.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9807  -10.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4253   -4.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4473   -9.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8996   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5287   -9.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3912   -6.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7155   -9.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6324   -7.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8191   -8.2642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8489   -7.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  8  9  1  0     0  0\n 10 11  1  0     0  0\n 10 12  1  0     0  0\n 11 14  1  0     0  0\n 13 15  1  0     0  0\n 13 16  1  0     0  0\n 14 17  1  0     0  0\n 15 18  1  0     0  0\n 17 19  1  0     0  0\n 18 20  1  0     0  0\n 19 21  1  0     0  0\n 20 22  1  0     0  0\n 21 23  1  0     0  0\n 22 24  1  0     0  0\n 23 25  1  0     0  0\n 24 26  1  0     0  0\n 26 27  1  0     0  0\n 12  7  1  0     0  0\n  9 16  1  0     0  0\n 27 25  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl115\n\n$$$$\n30-Crown-10\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 30 30  0     0  0            999 V2000\n   10.5968   -3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5443   -3.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8344   -4.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7938   -4.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1029   -3.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7946   -4.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1487   -3.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4230   -5.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8987   -4.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0643   -6.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9078   -4.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9365   -6.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3013   -5.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9385   -7.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6787   -6.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0639   -8.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8115   -6.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4322   -9.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8115   -7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8108  -10.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6722   -8.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8119   -9.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2940   -9.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5637  -10.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8989   -9.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5955  -11.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9003   -9.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1417  -10.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0967  -11.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8494  -10.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  4  6  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 14  1  0     0  0\n 14 16  1  0     0  0\n 15 17  1  0     0  0\n 16 18  1  0     0  0\n 17 19  1  0     0  0\n 19 21  1  0     0  0\n 20 22  1  0     0  0\n 21 23  1  0     0  0\n 22 24  1  0     0  0\n 23 25  1  0     0  0\n 24 26  1  0     0  0\n 27 28  1  0     0  0\n 29 30  1  0     0  0\n  5  7  1  0     0  0\n 18 20  1  0     0  0\n 25 27  1  0     0  0\n 28 29  1  0     0  0\n 26 30  1  0     0  0\n 15 13  1  0     0  0\n  5  3  1  0     0  0\nM  END\n>  \nCrown Ethers\n\n>  \nlibrary.svg#tmpl116\n\n>  \n0\n\n>  \n0\n\n$$$$\nALA-D-Alanine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  5  0     1  0            999 V2000\n   13.6701   -6.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6701   -5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8003   -5.3251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5335   -5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5335   -4.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3999   -5.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  1     0  0\n  2  4  1  0     0  0\n  4  5  2  0     0  0\n  4  6  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl117\n\n>  \n2\n\n>  \n0\n\n$$$$\nARG-D-Arginine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   12.0694   -4.2443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7765   -4.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5148   -5.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5506   -6.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2934   -7.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3248   -7.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0676   -8.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1033   -8.6246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7747   -9.0745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7407   -4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0024   -3.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4467   -5.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2 10  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  7  9  2  0     0  0\n 10 11  2  0     0  0\n 10 12  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl118\n\n>  \n0\n\n>  \n7\n\n$$$$\nASN-D-Asparagine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   10.8319   -5.4762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6977   -5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6989   -6.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8342   -7.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8321   -8.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9683   -6.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5657   -5.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5645   -4.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4317   -5.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  7  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  4  6  2  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl119\n\n>  \n0\n\n>  \n4\n\n$$$$\nASP-D-Aspartic acid\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   10.7814   -5.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6474   -6.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6486   -7.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7839   -7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7818   -8.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9179   -7.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5154   -5.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5142   -4.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3821   -6.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  7  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  4  6  2  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl120\n\n>  \n0\n\n>  \n4\n\n$$$$\nCYS-D-Cysteine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0     1  0            999 V2000\n    6.9511   -4.7004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8205   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8205   -6.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9511   -6.6987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6834   -4.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6834   -3.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5489   -5.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  5  1  0     0  0\n  3  4  1  0     0  0\n  5  6  2  0     0  0\n  5  7  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl121\n\n>  \n0\n\n>  \n3\n\n$$$$\nGLN-D-Glutamine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   11.1341   -5.3758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0002   -5.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0015   -6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1332   -7.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1344   -8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2695   -8.8736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0006   -8.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8652   -5.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8673   -4.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7305   -5.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  8  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  5  7  2  0     0  0\n  8  9  2  0     0  0\n  8 10  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl122\n\n>  \n0\n\n>  \n5\n\n$$$$\nGLU-D-Glutamic acid\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   11.4591   -5.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3252   -5.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3265   -6.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4582   -7.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4594   -8.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5945   -8.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3256   -8.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1902   -5.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1923   -4.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0555   -5.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  8  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  5  7  2  0     0  0\n  8  9  2  0     0  0\n  8 10  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl123\n\n>  \n0\n\n>  \n5\n\n$$$$\nGLY-Glycine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0     0  0            999 V2000\n   10.6670   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5331   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8010   -6.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3990   -7.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5331   -5.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  2  5  2  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl124\n\n>  \n2\n\n>  \n1\n\n$$$$\nHIS-D-Histidine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 11  0     1  0            999 V2000\n   11.4910   -6.5739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3584   -7.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3572   -8.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4919   -8.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3861   -9.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4100   -9.7753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9104   -8.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5750   -8.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2237   -6.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2217   -5.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0896   -7.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  9  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  4  8  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  2  0     0  0\n  9 10  2  0     0  0\n  9 11  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl125\n\n>  \n0\n\n>  \n1\n\n$$$$\nILE-D-Isoleucine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   11.8001   -9.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8020   -8.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6668   -8.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5327   -8.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6656   -7.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7997   -6.8261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5336   -6.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5324   -5.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4003   -7.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  6     0  0\n  3  5  1  0     0  0\n  5  6  1  1     0  0\n  5  7  1  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl126\n\n>  \n5\n\n>  \n0\n\n$$$$\nLEU-D-Leucine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   12.2568   -9.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2588   -8.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3929   -7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1235   -7.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1224   -6.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2564   -6.3511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9903   -6.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9891   -5.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8571   -6.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  2  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  1     0  0\n  5  7  1  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl127\n\n>  \n5\n\n>  \n0\n\n$$$$\nLYS-D-Lysine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   10.6692   -9.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6712   -8.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5358   -7.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5346   -6.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4025   -6.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4013   -5.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5355   -4.8257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2659   -4.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2679   -3.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1308   -5.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  1     0  0\n  6  8  1  0     0  0\n  8  9  2  0     0  0\n  8 10  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl128\n\n>  \n6\n\n>  \n0\n\n$$$$\nMET-D-Methionine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   11.6195   -9.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4844   -9.3267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4832   -8.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3515   -7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3502   -6.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4841   -6.3270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2152   -6.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2173   -5.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0805   -6.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  1     0  0\n  5  7  1  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl129\n\n>  \n5\n\n>  \n0\n\n$$$$\nPHE-D-Phenylalanine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 11  0     1  0            999 V2000\n   12.5510   -6.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4169   -6.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1490   -6.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4169   -7.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5510   -8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5510   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4169   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  6  1  0     0  0\n  3  4  2  0     0  0\n  3  5  1  0     0  0\n  6  7  1  0     0  0\n  6 11  2  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl130\n\n>  \n0\n\n>  \n4\n\n$$$$\nPRO-D-Proline\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     1  0            999 V2000\n   10.6969   -1.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6956   -2.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8298   -3.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7240   -4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7473   -4.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2474   -3.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9124   -2.7903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4026   -3.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  3  2  1  1     0  0\n  2  8  1  0     0  0\n  3  4  1  0     0  0\n  3  7  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl131\n\n>  \n6\n\n>  \n2\n\n$$$$\nSER-D-Serine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0     1  0            999 V2000\n   10.3261   -6.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1955   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1955   -8.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3261   -8.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0584   -6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0584   -5.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9239   -7.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2  5  1  0     0  0\n  3  4  1  0     0  0\n  5  6  2  0     0  0\n  5  7  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl132\n\n>  \n0\n\n>  \n3\n\n$$$$\nTHR-D-Threonine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   11.5255   -8.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3953   -7.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2586   -8.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3953   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5255   -6.1252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2586   -6.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2586   -5.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1245   -6.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  1     0  0\n  2  4  1  0     0  0\n  4  5  1  1     0  0\n  4  6  1  0     0  0\n  6  7  2  0     0  0\n  6  8  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl133\n\n>  \n4\n\n>  \n0\n\n$$$$\nTRP-D-Tryptophan\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 15 16  0     1  0            999 V2000\n   11.9929   -5.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8877   -5.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9408   -6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0974   -7.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1680   -6.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5350   -7.7214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0834   -8.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0497   -8.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7565   -9.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4968   -9.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5306  -10.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8239   -9.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7230   -5.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6717   -4.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6150   -5.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2 13  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  4  8  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  2  0     0  0\n  7 12  1  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\n 11 12  2  0     0  0\n 13 14  2  0     0  0\n 13 15  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl134\n\n>  \n0\n\n>  \n15\n\n$$$$\nTYR-D-Tyrosine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 13  0     1  0            999 V2000\n   12.5019   -5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3670   -6.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3658   -7.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4995   -7.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5016   -8.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6354   -9.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7671   -8.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9008   -9.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7683   -7.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6344   -7.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2333   -5.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2344   -4.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0992   -6.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1     0  0\n  2  3  1  0     0  0\n  2 11  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  4 10  1  0     0  0\n  5  6  1  0     0  0\n  6  7  2  0     0  0\n  7  8  1  0     0  0\n  7  9  1  0     0  0\n  9 10  2  0     0  0\n 11 12  2  0     0  0\n 11 13  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl135\n\n>  \n0\n\n>  \n8\n\n$$$$\nVAL-D-Valine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   10.8255   -8.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6953   -8.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5586   -8.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6953   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8255   -6.9502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5586   -6.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5586   -5.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4245   -7.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  2  4  1  0     0  0\n  4  5  1  1     0  0\n  4  6  1  0     0  0\n  6  7  2  0     0  0\n  6  8  1  0     0  0\nM  END\n>  \nD-Amino Acids\n\n>  \nlibrary.svg#tmpl136\n\n>  \n4\n\n>  \n0\n\n$$$$\nD-Allose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.4194   -1.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9924   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4387   -0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0204    0.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4629    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0221    1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4407    1.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1127    2.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2718    1.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2093    0.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2702    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1849   -0.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  6     0  0\n  5 10  1  1     0  0\n  4 11  1  6     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl137\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Altrose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.4516   -1.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0245   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4709   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0525    0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4950    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0501    1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4729    2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1448    3.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3040    1.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2414    1.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3024    0.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2171   -0.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  1     0  0\n  5 10  1  1     0  0\n  4 11  1  6     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl138\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Arabinose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   -3.8949   -0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4593    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8995    1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4675    1.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9005    2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4667    2.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4723   -0.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7192    1.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6437    1.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7111    0.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  1  7  1  0     0  0\n  4  8  1  1     0  0\n  3  9  1  1     0  0\n  2 10  1  6     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl139\n\n>  \n6\n\n>  \n5\n\n$$$$\nD-Erythrose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   -4.1906    0.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7523    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1844    1.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7532    1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1786    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7458    3.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0034    1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9299    1.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  4  7  1  6     0  0\n  3  8  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl140\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Erythrulose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   -4.1896    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7907    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2449    0.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8481    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7539    2.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0537    1.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9812    0.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3557   -0.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  1  5  1  0     0  0\n  2  6  2  0     0  0\n  3  7  1  1     0  0\n  8  4  1  0     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl141\n\n>  \n4\n\n>  \n3\n\n$$$$\nD-Fructose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.1480    1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5728    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1297    0.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5540    0.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1105   -0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5532   -1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1339   -1.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5796    2.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3170    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3814    0.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2979    0.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3622   -0.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  1  8  1  0     0  0\n  2  9  2  0     0  0\n  3 10  1  1     0  0\n  4 11  1  1     0  0\n  5 12  1  6     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl142\n\n>  \n7\n\n>  \n6\n\n$$$$\nD-Galactose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.8880   -0.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4609   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9072    0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4890    0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9315    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4907    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9093    2.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5812    3.3773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7403    2.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6779    1.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7387    0.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6535    0.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  6     0  0\n  5 10  1  6     0  0\n  4 11  1  1     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl143\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Glucose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.5186   -1.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9457   -0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4995    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9178    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4754    1.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9163    1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4978    2.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8217    3.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6624    1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7249    1.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6639    0.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7491   -0.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  1     0  0\n  5 10  1  1     0  0\n  4 11  1  1     0  0\n  3 12  1  6     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl144\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Gulose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -4.3047   -1.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8775   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3239    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9056    0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3481    1.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9073    1.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3260    2.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9978    3.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1570    1.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0945    1.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1554    0.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0702    0.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  6     0  0\n  5 10  1  1     0  0\n  4 11  1  1     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl145\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Idose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.7380   -1.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3109   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7572   -0.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3390    0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7815    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3407    1.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7593    2.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4312    3.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5903    1.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5279    1.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5887    0.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5035   -0.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  1     0  0\n  5 10  1  1     0  0\n  4 11  1  1     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl146\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Lyxose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   -3.9033    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3348    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8987    1.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3307    2.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8977    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3273    3.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3259   -0.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0749    2.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1504    1.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0829    0.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  1  7  1  0     0  0\n  4  8  1  6     0  0\n  3  9  1  1     0  0\n  2 10  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl147\n\n>  \n6\n\n>  \n5\n\n$$$$\nD-Mannose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.9005   -1.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4734   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9197   -0.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5015    0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9440    1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5032    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9218    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5937    3.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7528    1.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6904    1.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7512    0.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6660   -0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  1     0  0\n  5 10  1  6     0  0\n  4 11  1  6     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl148\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Psicose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -4.1455    2.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7122    2.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1459    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7164    0.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1511    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6999   -0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1099   -0.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7230    3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9598    2.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8942    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9639    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8992    0.2707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  1  8  1  0     0  0\n  2  9  2  0     0  0\n  3 10  1  1     0  0\n  4 11  1  6     0  0\n  5 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl149\n\n>  \n7\n\n>  \n6\n\n$$$$\nD-Ribose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   -3.4471   -0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8828    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4426    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8747    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4417    2.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8713    2.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8696   -0.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6188    1.6686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6943    1.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6268    0.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  1  7  1  0     0  0\n  4  8  1  1     0  0\n  3  9  1  6     0  0\n  2 10  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl150\n\n>  \n6\n\n>  \n5\n\n$$$$\nD-Ribulose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   -3.1689   -0.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6004    0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1643    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5963    1.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1633    1.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5929    2.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4160    0.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5914   -1.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3485    0.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3252    1.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  3  7  1  6     0  0\n  1  8  1  0     0  0\n  2  9  1  1     0  0\n  4 10  2  0     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl151\n\n>  \n7\n\n>  \n6\n\n$$$$\nD-Sorbose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -3.8077    2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3743    1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8123    1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3785    0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8133   -0.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3620   -0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7721   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3851    3.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6219    1.8147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5564    1.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6301    0.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5573   -0.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  1  8  1  0     0  0\n  2  9  2  0     0  0\n  3 10  1  1     0  0\n  4 11  1  1     0  0\n  5 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl152\n\n>  \n7\n\n>  \n6\n\n$$$$\nD-Tagatose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -5.3565    3.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7786    2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3570    1.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7842    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3640   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7622   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3090   -1.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7930    4.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7752    2.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3552    1.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7806    0.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3619   -0.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  1  8  1  0     0  0\n  2  9  2  0     0  0\n  3 10  1  6     0  0\n  4 11  1  1     0  0\n  5 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl153\n\n>  \n7\n\n>  \n6\n\n$$$$\nD-Talose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   -4.0547   -0.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6275   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0739    0.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6556    1.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0981    1.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6573    2.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0760    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7478    3.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9070    2.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8445    1.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9054    1.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8202    0.3709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  1     0  0\n  5 10  1  6     0  0\n  4 11  1  1     0  0\n  3 12  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl154\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Threose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   -4.7339    0.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3006    0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7343    1.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3045    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7353    2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3079    3.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5548    2.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.4800    1.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  4  7  1  1     0  0\n  3  8  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl155\n\n>  \n0\n\n>  \n0\n\n$$$$\nD-Xylose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   -3.7801   -0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2157    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7755    1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2075    1.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7745    2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2083    2.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2027   -0.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9517    1.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0272    1.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9597    0.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  1  7  1  0     0  0\n  4  8  1  1     0  0\n  3  9  1  1     0  0\n  2 10  1  1     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl156\n\n>  \n6\n\n>  \n5\n\n$$$$\nD-Xylulose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   -2.9398   -0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3754    0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9352    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3672    1.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9342    2.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3638    2.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1827    0.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3623   -0.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1235    0.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1002    1.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  3  7  1  1     0  0\n  1  8  1  0     0  0\n  2  9  1  1     0  0\n  4 10  2  0     0  0\nM  END\n>  \nD-Sugars\n\n>  \nlibrary.svg#tmpl157\n\n>  \n7\n\n>  \n6\n\n$$$$\n1_2_3-Oxadiazole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl158\n\n>  \n1\n\n>  \n0\n\n$$$$\nDioxane\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    4.2090   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2090   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -4.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -3.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl159\n\n>  \n0\n\n>  \n1\n\n$$$$\nFuran\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl160\n\n>  \n1\n\n>  \n0\n\n$$$$\nImidazole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl161\n\n>  \n0\n\n>  \n0\n\n$$$$\nIndole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    6.3344   -5.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7641   -5.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0506   -5.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7641   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3344   -6.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0524   -7.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4800   -7.2028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1974   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1974   -5.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\n  8  9  2  0     0  0\n  7  8  1  0     0  0\n  2  9  1  0     0  0\n  4  7  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl162\n\n>  \n6\n\n>  \n6\n\n$$$$\nIsoquinoline\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    7.2094   -5.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6391   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9256   -5.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6391   -6.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2094   -6.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9274   -6.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3533   -5.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0698   -5.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3584   -6.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0717   -6.5353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  2  4  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\n  8  7  2  0     0  0\n  9 10  2  0     0  0\n 10  8  1  0     0  0\n  4  9  1  0     0  0\n  2  7  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl163\n\n>  \n8\n\n>  \n0\n\n$$$$\nIsoxazole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl164\n\n>  \n2\n\n>  \n0\n\n$$$$\nMorpholine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    4.2090   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2090   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -4.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -3.0482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl165\n\n>  \n5\n\n>  \n1\n\n$$$$\nOxazole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl166\n\n>  \n4\n\n>  \n0\n\n$$$$\nPiperazine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    4.2090   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2090   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -4.7018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -3.0482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl167\n\n>  \n5\n\n>  \n1\n\n$$$$\nPiperidine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    3.0000   -9.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000  -10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7160  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4320  -10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4320   -9.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7160   -9.0964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl168\n\n>  \n5\n\n>  \n0\n\n$$$$\nPurine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0     0  0            999 V2000\n    6.3344   -5.9612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7641   -5.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0506   -5.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7641   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3344   -6.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0524   -7.2005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4800   -7.2028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1974   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1974   -5.9608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\n  8  9  2  0     0  0\n  7  8  1  0     0  0\n  2  9  1  0     0  0\n  4  7  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl169\n\n>  \n6\n\n>  \n7\n\n$$$$\nPyran\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    4.2090   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2090   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -4.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -4.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6410   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9250   -3.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl170\n\n>  \n0\n\n>  \n1\n\n$$$$\nPyrazine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    6.4094   -4.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1256   -3.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4094   -4.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1274   -5.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl171\n\n>  \n0\n\n>  \n2\n\n$$$$\nPyrazol\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl172\n\n>  \n0\n\n>  \n0\n\n$$$$\nPyridazine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    6.4094   -4.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1256   -3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4094   -4.8665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1274   -5.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl173\n\n>  \n0\n\n>  \n0\n\n$$$$\nPyridine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    6.4094   -4.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1256   -3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4094   -4.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1274   -5.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl174\n\n>  \n3\n\n>  \n1\n\n$$$$\nPyridone\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  7  0     0  0            999 V2000\n    5.2590   -5.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2590   -5.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9750   -6.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6910   -5.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6910   -5.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9750   -4.5982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5430   -4.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  1  7  2  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl175\n\n>  \n5\n\n>  \n5\n\n$$$$\nPyrimidine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    6.4094   -4.0362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1256   -3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4094   -4.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1274   -5.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl176\n\n>  \n4\n\n>  \n1\n\n$$$$\nPyrole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    3.6685  -10.0843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -9.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2553   -8.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0817   -8.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3370   -9.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl177\n\n$$$$\nPyrone\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  7  0     0  0            999 V2000\n    5.2590   -5.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2590   -5.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9750   -6.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6910   -5.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6910   -5.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9750   -4.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5430   -4.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  1  7  2  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl178\n\n>  \n4\n\n>  \n4\n\n$$$$\nPyrrolidine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    3.7210   -3.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3632   -3.3980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0779   -3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8532   -4.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0171   -4.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl179\n\n>  \n1\n\n>  \n2\n\n$$$$\nQuinoline\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    7.2094   -5.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6391   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9256   -5.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6391   -6.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2094   -6.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9274   -6.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3533   -5.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0698   -5.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3584   -6.9529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0717   -6.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  2  4  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\n  8  7  2  0     0  0\n  9 10  2  0     0  0\n 10  8  1  0     0  0\n  4  9  1  0     0  0\n  2  7  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl180\n\n>  \n9\n\n>  \n8\n\n$$$$\nTetrahydrofuran\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    3.7210   -3.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3632   -3.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0779   -3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8532   -4.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0171   -4.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl181\n\n>  \n2\n\n>  \n2\n\n$$$$\nTetrahydrothiophene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    3.7210   -3.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3632   -3.3980    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0779   -3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8532   -4.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0171   -4.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl182\n\n>  \n2\n\n>  \n2\n\n$$$$\nTetrazole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl183\n\n>  \n0\n\n>  \n1\n\n$$$$\nThiophene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl184\n\n>  \n4\n\n>  \n3\n\n$$$$\nTriazine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    6.4094   -4.0362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1256   -3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8391   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4094   -4.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1274   -5.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl185\n\n>  \n3\n\n>  \n1\n\n$$$$\nTriazole\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    4.9500   -4.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2815   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5368   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3632   -2.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6185   -3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0     0  0\n  1  2  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\nM  END\n>  \nHeterocyclic Rings\n\n>  \nlibrary.svg#tmpl186\n\n>  \n0\n\n>  \n1\n\n$$$$\nALA-L-Alanine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  5  0     1  0            999 V2000\n   13.6700   -6.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6700   -5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8002   -5.3251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5334   -5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5334   -4.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3998   -5.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  6     0  0\n  2  4  1  0     0  0\n  4  5  2  0     0  0\n  4  6  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl187\n\n>  \n2\n\n>  \n0\n\n$$$$\nARG-L-Arginine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 11  0     1  0            999 V2000\n   12.0694   -4.2443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7765   -4.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5148   -5.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5506   -6.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2934   -7.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3248   -7.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0676   -8.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1033   -8.6246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7747   -9.0745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7407   -4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0024   -3.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4467   -5.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2 10  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  7  9  2  0     0  0\n 10 11  2  0     0  0\n 10 12  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl188\n\n>  \n0\n\n>  \n7\n\n$$$$\nASN-L-Asparagine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   10.8319   -5.4762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6977   -5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6989   -6.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8342   -7.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8321   -8.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9683   -6.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5657   -5.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5645   -4.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4317   -5.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  7  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  4  6  2  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl189\n\n>  \n0\n\n>  \n4\n\n$$$$\nASP-L-Aspartic acid\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   10.7814   -5.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6474   -6.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6486   -7.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7839   -7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7818   -8.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9179   -7.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5154   -5.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5142   -4.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3821   -6.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  7  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  4  6  2  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl190\n\n>  \n0\n\n>  \n4\n\n$$$$\nCYS-L-Cysteine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0     1  0            999 V2000\n    6.9511   -4.7004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8205   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8205   -6.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9511   -6.6987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6834   -4.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6834   -3.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5489   -5.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  5  1  0     0  0\n  3  4  1  0     0  0\n  5  6  2  0     0  0\n  5  7  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl191\n\n>  \n0\n\n>  \n3\n\n$$$$\nGLN-L-Glutamine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   11.1341   -5.3758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0002   -5.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0015   -6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1332   -7.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1344   -8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2695   -8.8736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0006   -8.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8652   -5.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8673   -4.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7305   -5.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  8  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  5  7  2  0     0  0\n  8  9  2  0     0  0\n  8 10  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl192\n\n>  \n0\n\n>  \n5\n\n$$$$\nGLU-L-Glutamic acid\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   11.4591   -5.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3252   -5.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3265   -6.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4582   -7.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4594   -8.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5945   -8.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3256   -8.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1902   -5.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1923   -4.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0555   -5.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  8  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  5  7  2  0     0  0\n  8  9  2  0     0  0\n  8 10  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl193\n\n>  \n0\n\n>  \n5\n\n$$$$\nGLY-Glycine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0     0  0            999 V2000\n   10.6670   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5331   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8010   -6.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3990   -7.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5331   -5.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  2  5  2  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl194\n\n>  \n2\n\n>  \n1\n\n$$$$\nHIS-L-Histidine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 11  0     1  0            999 V2000\n   11.4910   -6.5739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3584   -7.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3572   -8.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4919   -8.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3861   -9.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4100   -9.7753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9104   -8.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5750   -8.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2237   -6.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2217   -5.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0896   -7.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  9  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  4  8  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  2  0     0  0\n  9 10  2  0     0  0\n  9 11  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl195\n\n>  \n0\n\n>  \n1\n\n$$$$\nILE-L-Isoleucine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   11.8001   -9.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8020   -8.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6668   -8.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5327   -8.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6656   -7.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7997   -6.8261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5336   -6.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5324   -5.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4003   -7.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  1     0  0\n  3  5  1  0     0  0\n  5  6  1  6     0  0\n  5  7  1  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl196\n\n>  \n5\n\n>  \n0\n\n$$$$\nLEU-L-Leucine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   12.2568   -9.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2588   -8.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3929   -7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1235   -7.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1224   -6.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2564   -6.3511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9903   -6.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9891   -5.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8571   -6.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  2  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  6     0  0\n  5  7  1  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl197\n\n>  \n5\n\n>  \n0\n\n$$$$\nLYS-L-Lysine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10  9  0     1  0            999 V2000\n   10.6692   -9.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6712   -8.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5358   -7.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5346   -6.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4025   -6.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4013   -5.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5355   -4.8257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2659   -4.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2679   -3.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1308   -5.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  6     0  0\n  6  8  1  0     0  0\n  8  9  2  0     0  0\n  8 10  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl198\n\n>  \n6\n\n>  \n0\n\n$$$$\nMET-L-Methionine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  8  0     1  0            999 V2000\n   11.6195   -9.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4844   -9.3267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4832   -8.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3515   -7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3502   -6.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4841   -6.3270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2152   -6.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2173   -5.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0805   -6.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  6     0  0\n  5  7  1  0     0  0\n  7  8  2  0     0  0\n  7  9  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl199\n\n>  \n5\n\n>  \n0\n\n$$$$\nPHE-L-Phenylalanine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 11  0     1  0            999 V2000\n   12.5510   -6.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4169   -6.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1490   -6.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4169   -7.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5510   -8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5510   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4169   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2830   -8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  6  1  0     0  0\n  3  4  2  0     0  0\n  3  5  1  0     0  0\n  6  7  1  0     0  0\n  6 11  2  0     0  0\n  7  8  2  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl200\n\n>  \n0\n\n>  \n0\n\n$$$$\nPRO-L-Proline\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     1  0            999 V2000\n   10.6969   -1.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6956   -2.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8298   -3.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7240   -4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7473   -4.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2474   -3.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9124   -2.7903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4026   -3.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  3  2  1  6     0  0\n  2  8  1  0     0  0\n  3  4  1  0     0  0\n  3  7  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl201\n\n>  \n6\n\n>  \n2\n\n$$$$\nSER-L-Serine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0     1  0            999 V2000\n   10.3261   -6.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1955   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1955   -8.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3261   -8.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0584   -6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0584   -5.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9239   -7.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2  5  1  0     0  0\n  3  4  1  0     0  0\n  5  6  2  0     0  0\n  5  7  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl202\n\n>  \n0\n\n>  \n3\n\n$$$$\nTHR-L-Threonine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   11.5255   -8.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3953   -7.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2586   -8.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3953   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5255   -6.1252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2586   -6.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2586   -5.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1245   -6.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  6     0  0\n  2  4  1  0     0  0\n  4  5  1  6     0  0\n  4  6  1  0     0  0\n  6  7  2  0     0  0\n  6  8  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl203\n\n>  \n4\n\n>  \n0\n\n$$$$\nTRP-L-Tryptophan\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 15 16  0     1  0            999 V2000\n   11.9929   -5.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8877   -5.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9408   -6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0974   -7.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1680   -6.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5350   -7.7214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0834   -8.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0497   -8.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7565   -9.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4968   -9.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5306  -10.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8239   -9.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7230   -5.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6717   -4.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6150   -5.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2 13  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  4  8  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  2  0     0  0\n  7 12  1  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n 10 11  1  0     0  0\n 11 12  2  0     0  0\n 13 14  2  0     0  0\n 13 15  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl204\n\n>  \n0\n\n>  \n15\n\n$$$$\nTYR-L-Tyrosine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 13  0     1  0            999 V2000\n   12.5019   -5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3670   -6.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3658   -7.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4995   -7.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5016   -8.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6354   -9.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7671   -8.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9008   -9.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7683   -7.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6344   -7.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2333   -5.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2344   -4.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0992   -6.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  6     0  0\n  2  3  1  0     0  0\n  2 11  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  4 10  1  0     0  0\n  5  6  1  0     0  0\n  6  7  2  0     0  0\n  7  8  1  0     0  0\n  7  9  1  0     0  0\n  9 10  2  0     0  0\n 11 12  2  0     0  0\n 11 13  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl205\n\n>  \n0\n\n>  \n8\n\n$$$$\nVAL-L-Valine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  7  0     1  0            999 V2000\n   10.8255   -8.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6953   -8.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5586   -8.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6953   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8255   -6.9502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5586   -6.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5586   -5.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4245   -7.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  2  4  1  0     0  0\n  4  5  1  6     0  0\n  4  6  1  0     0  0\n  6  7  2  0     0  0\n  6  8  1  0     0  0\nM  END\n>  \nL-Amino Acids\n\n>  \nlibrary.svg#tmpl206\n\n>  \n4\n\n>  \n0\n\n$$$$\nAdenine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 11  0     0  0            999 V2000\n    3.4903   -2.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1974   -1.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1974   -0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9070   -2.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4956   -0.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8834   -0.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6333   -1.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6333   -0.9769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8834    0.2478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  2  0     0  0\n  2  5  1  0     0  0\n  3  6  2  0     0  0\n  4  7  1  0     0  0\n  5  8  2  0     0  0\n  7  9  2  0     0  0\n  7 10  1  0     0  0\n  4  6  1  0     0  0\n  8  9  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl207\n\n>  \n0\n\n>  \n1\n\n$$$$\nCytosine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     0  0            999 V2000\n    3.7084   -1.9709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4211   -1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -1.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4211   -0.7296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1335   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7050   -0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7050    0.4994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  2  5  2  0     0  0\n  3  6  2  0     0  0\n  4  7  2  0     0  0\n  7  8  1  0     0  0\n  6  7  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl208\n\n>  \n0\n\n>  \n1\n\n$$$$\nGuanine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    3.4897    0.3839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1974    0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1974    1.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9066    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5004    1.7668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8887    1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6377    0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6377    1.4853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8887    2.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3288    0.2133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  2  0     0  0\n  2  5  1  0     0  0\n  3  6  2  0     0  0\n  4  7  1  0     0  0\n  5  8  2  0     0  0\n  7  9  1  0     0  0\n  7 10  2  0     0  0\n  4  6  1  0     0  0\n  8  9  1  0     0  0\n  8 11  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl209\n\n>  \n0\n\n>  \n1\n\n$$$$\nThymine\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  9  0     0  0            999 V2000\n    2.4396   -1.5954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1523   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7188   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1523   -0.3502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8646   -1.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7189   -0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4364    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4364    0.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0104    0.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  2  5  2  0     0  0\n  3  6  2  0     0  0\n  4  7  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\n  6  9  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl210\n\n>  \n0\n\n>  \n1\n\n$$$$\nUracil\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     0  0            999 V2000\n    3.7124   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4252   -0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4252    0.7243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1458   -0.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7092    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7092    1.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  2  5  2  0     0  0\n  3  6  2  0     0  0\n  4  7  1  0     0  0\n  7  8  2  0     0  0\n  6  7  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl211\n\n>  \n0\n\n>  \n1\n\n$$$$\nRibose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 14  0     1  0            999 V2000\n    3.6483   -1.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6483   -2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6030   -2.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5685   -2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9582   -3.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2479   -3.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2479   -2.2377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2479   -4.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9582   -2.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9582   -4.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5685   -2.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7706   -2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5685   -3.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6483   -3.6834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  1     0  0\n  5  6  1  1     0  0\n  2  6  1  1     0  0\n  6  7  1  0     0  0\n  6  8  1  0     0  0\n  5  9  1  0     0  0\n  5 10  1  0     0  0\n  4 11  1  0     0  0\n 11 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl212\n\n>  \n0\n\n>  \n11\n\n$$$$\nDeoxyribose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 14  0     0  0            999 V2000\n   11.5961   -4.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5961   -5.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1697   -6.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7965   -6.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -5.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4831   -5.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -4.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5320   -4.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -6.4519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7965   -4.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7965   -6.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1697   -4.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1697   -6.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5961   -6.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  6  1  0     0  0\n  6  5  1  0     0  0\n  5  4  1  0     0  0\n  4  3  1  0     0  0\n  2  3  1  0     0  0\n  2  1  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  5  9  1  0     0  0\n  4 10  1  0     0  0\n  4 11  1  0     0  0\n  3 12  1  0     0  0\n  3 13  1  0     0  0\n  2 14  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl213\n\n>  \n0\n\n>  \n7\n\n$$$$\nRibose monophosphate\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     1  0            999 V2000\n   14.4831   -3.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4831   -5.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4073   -4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3426   -5.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7437   -5.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0710   -5.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0710   -4.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0710   -6.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7437   -4.4947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7437   -6.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3426   -4.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3426   -6.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4831   -5.9871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2261   -4.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3520   -4.3001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4739   -4.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3520   -3.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3520   -5.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  1     0  0\n  5  6  1  1     0  0\n  2  6  1  1     0  0\n  6  7  1  0     0  0\n  6  8  1  0     0  0\n  5  9  1  0     0  0\n  5 10  1  0     0  0\n  4 11  1  0     0  0\n  4 12  1  0     0  0\n  2 13  1  0     0  0\n 14 15  1  0     0  0\n 15 16  1  0     0  0\n 15 17  2  0     0  0\n 15 18  1  0     0  0\n 11 14  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl214\n\n>  \n0\n\n>  \n14\n\n$$$$\nDeoxyribose monophosphate\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n   11.5961   -4.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5961   -5.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1697   -6.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7965   -6.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -5.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4831   -5.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -4.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5320   -4.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6579   -4.5909    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7798   -4.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6579   -3.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6579   -5.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -6.4519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7965   -4.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7965   -6.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1697   -4.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1697   -6.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5961   -6.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  6  1  0     0  0\n  6  5  1  0     0  0\n  5  4  1  0     0  0\n  4  3  1  0     0  0\n  2  3  1  0     0  0\n  2  1  1  0     0  0\n  5  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n  9 11  2  0     0  0\n  9 12  1  0     0  0\n  5 13  1  0     0  0\n  4 14  1  0     0  0\n  4 15  1  0     0  0\n  3 16  1  0     0  0\n  3 17  1  0     0  0\n  2 18  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl215\n\n>  \n0\n\n>  \n9\n\n$$$$\nAdenosine monophosphate\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 23 25  0     1  0            999 V2000\n   13.0195  -10.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3520  -10.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6070  -11.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4320  -11.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6869  -10.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6070  -12.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3520  -10.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5270  -10.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6869  -10.0181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1983   -8.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9127   -8.9796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9127   -9.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1983  -10.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4838   -9.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7568   -8.6851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4838   -8.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2376   -9.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1983   -7.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4320  -12.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7020  -10.0181    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7020   -9.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7020  -10.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8770  -10.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  5  1  0     0  0\n  2  3  1  1     0  0\n  2  7  1  0     0  0\n  3  4  1  1     0  0\n  3  6  1  0     0  0\n  5  4  1  1     0  0\n  5  9  1  0     0  0\n  7  8  1  0     0  0\n 14  9  1  0     0  0\n  9 17  1  0     0  0\n 10 11  2  0     0  0\n 10 16  1  0     0  0\n 10 18  1  0     0  0\n 11 12  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\n 16 14  2  0     0  0\n 15 16  1  0     0  0\n 15 17  2  0     0  0\n  4 19  1  0     0  0\n  8 20  1  0     0  0\n 20 21  2  0     0  0\n 20 22  1  0     0  0\n 20 23  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl216\n\n>  \n22\n\n>  \n24\n\n$$$$\nAdenosine diphosphate\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 27 29  0     1  0            999 V2000\n   11.2820   -9.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6145   -9.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8695  -10.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6945  -10.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9494   -9.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8695  -11.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6145   -9.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7895   -9.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9494   -9.0650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4608   -7.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1752   -8.0265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1752   -8.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4608   -9.2640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7463   -8.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0193   -7.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7463   -8.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5001   -8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4608   -6.7889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6945  -11.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9645   -9.0650    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9645   -8.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9645   -9.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1395   -9.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3145   -9.0650    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3145   -8.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3145   -9.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4895   -9.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  5  1  0     0  0\n  2  3  1  1     0  0\n  2  7  1  0     0  0\n  3  4  1  1     0  0\n  3  6  1  0     0  0\n  5  4  1  1     0  0\n  5  9  1  0     0  0\n  7  8  1  0     0  0\n 14  9  1  0     0  0\n  9 17  1  0     0  0\n 10 11  2  0     0  0\n 10 16  1  0     0  0\n 10 18  1  0     0  0\n 11 12  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\n 16 14  2  0     0  0\n 15 16  1  0     0  0\n 15 17  2  0     0  0\n  4 19  1  0     0  0\n  8 20  1  0     0  0\n 20 21  2  0     0  0\n 20 22  1  0     0  0\n 20 23  1  0     0  0\n 23 24  1  0     0  0\n 24 25  2  0     0  0\n 24 26  1  0     0  0\n 24 27  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl217\n\n>  \n26\n\n>  \n28\n\n$$$$\nAdenosine triphosphate\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 31 33  0     1  0            999 V2000\n   14.6695  -10.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0020  -10.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2570  -11.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0820  -11.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3369  -10.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2570  -12.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0020  -10.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1770  -10.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3369  -10.0181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8483   -8.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5627   -8.9796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5627   -9.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8483  -10.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1338   -9.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4068   -8.6851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1338   -8.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8876   -9.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8483   -7.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0820  -12.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3520  -10.0181    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3520   -9.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3520  -10.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5270  -10.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7020  -10.0181    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7020   -9.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7020  -10.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8770  -10.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0520  -10.0181    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0520   -9.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0520  -10.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2270  -10.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  5  1  0     0  0\n  2  3  1  1     0  0\n  2  7  1  0     0  0\n  3  4  1  1     0  0\n  3  6  1  0     0  0\n  5  4  1  1     0  0\n  5  9  1  0     0  0\n  7  8  1  0     0  0\n 14  9  1  0     0  0\n  9 17  1  0     0  0\n 10 11  2  0     0  0\n 10 16  1  0     0  0\n 10 18  1  0     0  0\n 11 12  1  0     0  0\n 12 13  2  0     0  0\n 13 14  1  0     0  0\n 16 14  2  0     0  0\n 15 16  1  0     0  0\n 15 17  2  0     0  0\n  4 19  1  0     0  0\n  8 20  1  0     0  0\n 20 21  2  0     0  0\n 20 22  1  0     0  0\n 20 23  1  0     0  0\n 23 24  1  0     0  0\n 24 25  2  0     0  0\n 24 26  1  0     0  0\n 24 27  1  0     0  0\n 27 28  1  0     0  0\n 28 29  2  0     0  0\n 28 30  1  0     0  0\n 28 31  1  0     0  0\nM  END\n>  \nNucleobases\n\n>  \nlibrary.svg#tmpl218\n\n>  \n30\n\n>  \n32\n\n$$$$\nBenzene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    0.6548    2.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0813    2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3694    2.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0813    1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6548    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3712    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl219\n\n>  \n0\n\n>  \n0\n\n$$$$\nBoat\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    5.8944    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4777    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4166    3.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9277    3.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2722    3.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0277    3.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  3  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl220\n\n>  \n3\n\n>  \n2\n\n$$$$\nChair\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    8.5333    5.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1166    6.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9111    6.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2555    6.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0277    5.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6166    6.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  3  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl221\n\n>  \n0\n\n>  \n0\n\n$$$$\nChair1\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    4.9944    2.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7388    3.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2777    2.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4055    4.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5333    3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1166    4.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  1  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl222\n\n>  \n0\n\n>  \n0\n\n$$$$\nChair2\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n   10.4055    2.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6611    3.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1222    2.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9944    4.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8666    3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2833    4.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  1  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl223\n\n>  \n0\n\n>  \n0\n\n$$$$\nChair3\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n    5.0777    4.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4888    9.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2000   10.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8222    8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3611    4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3277    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0777    6.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4888    8.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2388    7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6166    5.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8666    7.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2000    8.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3611    6.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7777    6.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8222    6.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0333    5.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4055    8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6166    7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  7 15  1  0     0  0\n 15 13  1  0     0  0\n 13  8  1  0     0  0\n  8 18  1  0     0  0\n 18 12  1  0     0  0\n 12  7  1  0     0  0\n  1  7  1  0     0  0\n  8  2  1  0     0  0\n 12  3  1  0     0  0\n 15  4  1  0     0  0\n  5 13  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n 10 18  1  0     0  0\n 11 12  1  0     0  0\n 13 14  1  0     0  0\n 15 16  1  0     0  0\n 17 18  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl224\n\n>  \n0\n\n>  \n5\n\n$$$$\nChair4\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n   10.4888    4.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0777    9.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3666   10.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7444    8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2055    4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2388    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4888    6.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0777    8.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3277    7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9500    5.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7000    7.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3666    8.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2055    6.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7888    6.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7444    6.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5333    5.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1611    8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9500    7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  7 15  1  0     0  0\n 15 13  1  0     0  0\n 13  8  1  0     0  0\n  8 18  1  0     0  0\n 18 12  1  0     0  0\n 12  7  1  0     0  0\n  1  7  1  0     0  0\n  8  2  1  0     0  0\n 12  3  1  0     0  0\n 15  4  1  0     0  0\n  5 13  1  0     0  0\n  6  7  1  0     0  0\n  8  9  1  0     0  0\n 10 18  1  0     0  0\n 11 12  1  0     0  0\n 13 14  1  0     0  0\n 15 16  1  0     0  0\n 17 18  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl225\n\n>  \n0\n\n>  \n5\n\n$$$$\nCyclopentadiene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    3.8091    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3091    6.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6181    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3091    6.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5  1  0     0  0\n  2  3  2  0     0  0\n  3  1  1  0     0  0\n  4  2  1  0     0  0\n  5  4  2  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl226\n\n>  \n0\n\n>  \n0\n\n$$$$\nCyclopentadiene\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n   14.3500   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2160   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2160   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4840   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4840   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  4  5  2  0     0  0\n  5  1  1  0     0  0\n  4  3  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl227\n\n>  \n0\n\n>  \n0\n\n$$$$\nRing3\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  3  3  0     0  0            999 V2000\n    2.6123    1.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6098    1.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1111    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  3  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl228\n\n$$$$\nRing4\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  4  4  0     0  0            999 V2000\n    3.4956    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4919    2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4846    1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4821    2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  4  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl229\n\n$$$$\nRing5\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    3.3632    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3649    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0647    2.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6686    2.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8751    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  5  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl230\n\n$$$$\nRing5\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    2.2500    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1160    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1160   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3840   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3840    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\n  4  3  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl231\n\n$$$$\nRing6\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0     0  0            999 V2000\n    2.5500    3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5500    2.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4160    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2820    2.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2820    3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4160    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl232\n\n$$$$\nRing7\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  7  7  0     0  0            999 V2000\n   21.4111    6.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1938    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1653    6.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.5987    5.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.4166    5.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1660    4.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1938    4.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  6  1  0     0  0\n  1  5  1  0     0  0\n  5  7  1  0     0  0\n  6  7  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl233\n\n>  \n0\n\n>  \n0\n\n$$$$\nRing8\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0     0  0            999 V2000\n    2.9268    2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9270    3.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6288    3.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6290    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6266    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3286    2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3285    3.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6266    3.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl234\n\n$$$$\nRing9\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n  9  9  0     0  0            999 V2000\n    2.7667    2.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5972    3.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0962    4.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5313    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5375    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2993    2.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4693    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0364    4.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9746    4.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  8  3  1  0     0  0\n  8  9  1  0     0  0\n  9  7  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl235\n\n$$$$\nRing10\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0     0  0            999 V2000\n    3.5215    2.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3132    2.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3132    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0493    2.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7854    2.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7854    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5215    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2575    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2575    2.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0493    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  9  1  0     0  0\n  3 10  1  0     0  0\n 10  6  1  0     0  0\n  5  4  1  0     0  0\n  4  2  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  2  3  1  0     0  0\n  9  1  1  0     0  0\n  1  5  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl236\n\n>  \n0\n\n>  \n0\n\n$$$$\nRing11\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 11 11  0     0  0            999 V2000\n    3.7115    0.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6673    0.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8179    1.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7664    2.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8179    3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6382    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6721    4.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4599    3.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5335    3.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5480    2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4840    1.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11  1  1  0     0  0\n  4  5  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl237\n\n$$$$\nRing12\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 12 12  0     0  0            999 V2000\n    3.7276    1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7247    1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9441    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9082    2.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9040    3.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9232    3.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6929    4.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6906    4.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4660    3.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5063    3.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5162    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4980    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n 11 12  1  0     0  0\n 12  1  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl238\n\n>  \n0\n\n>  \n0\n\n$$$$\nRing13\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 13 13  0     0  0            999 V2000\n    3.2666    4.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4574    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9755    4.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7213    3.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0441    3.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6650    3.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0441    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7099    2.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9763    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6652    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0491    1.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6845    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9051    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 13  1  0     0  0\n  1  2  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl239\n\n>  \n0\n\n>  \n12\n\n$$$$\nRing14\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 14 14  0     0  0            999 V2000\n    6.8995    3.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3539    4.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3678    2.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3685    3.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3883    2.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9655    4.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9885    1.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9602    4.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9932    1.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5727    3.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5892    2.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5971    4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6111    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0671    3.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  5  1  0     0  0\n  4  6  1  0     0  0\n  5  7  1  0     0  0\n  6  8  1  0     0  0\n  7  9  1  0     0  0\n  8 10  1  0     0  0\n  9 11  1  0     0  0\n 10 12  1  0     0  0\n 11 13  1  0     0  0\n 12 14  1  0     0  0\n 13 14  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl240\n\n$$$$\nRing15\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 15 15  0     0  0            999 V2000\n    6.3839    2.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0478    1.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0286    1.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6750    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6672    0.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3752    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3912    2.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1293    2.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9384    3.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6710    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4746    5.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2796    4.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1008    5.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9121    4.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5968    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  3  4  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n  7  8  1  0     0  0\n 12 13  1  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 11 12  1  0     0  0\n  1 15  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl241\n\n$$$$\nRing16\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 16 16  0     0  0            999 V2000\n    5.3307    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8666    2.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4647    0.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8666    4.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0006    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0006    2.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8666    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7326    0.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5987    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7326    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5987    4.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4647    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3307    2.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1967    2.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1967    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3307    4.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9  3  1  0     0  0\n  3  1  1  0     0  0\n  1 13  1  0     0  0\n 10  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  2  1  0     0  0\n  2  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n 12 11  1  0     0  0\n 11 10  1  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 15 16  1  0     0  0\n 16 12  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl242\n\n>  \n0\n\n>  \n1\n\n$$$$\nRing18\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n    6.7675    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7675    3.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8338    2.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9136    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0241    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2362    1.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4295    1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5501    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6379    2.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7034    3.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7024    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6366    4.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5561    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4362    5.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2239    5.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0336    5.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9184    5.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8307    4.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  3  4  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 10 11  1  0     0  0\n  7  8  1  0     0  0\n 12 13  1  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 11 12  1  0     0  0\n 16 17  1  0     0  0\n 17 18  1  0     0  0\n 15 16  1  0     0  0\n  1 18  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl243\n\n>  \n0\n\n>  \n0\n\n$$$$\nRing20\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 20 20  0     0  0            999 V2000\n    5.1641    6.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7000    5.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7000    6.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5660    7.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4320    6.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2980    7.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1641    5.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0301    4.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0301    5.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1641    3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1641    2.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2980    2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5660    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4320    0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2980    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8339    5.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8339    4.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7000    3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6999    2.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5660    2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0     0  0\n  5  4  1  0     0  0\n  4  3  1  0     0  0\n  7  1  1  0     0  0\n  1  6  1  0     0  0\n  6  5  1  0     0  0\n 10  8  1  0     0  0\n  8  9  1  0     0  0\n  9  7  1  0     0  0\n 12 11  1  0     0  0\n 11 10  1  0     0  0\n 20 13  1  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 15 12  1  0     0  0\n  2 16  1  0     0  0\n 16 17  1  0     0  0\n 17 18  1  0     0  0\n 18 19  1  0     0  0\n 19 20  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl244\n\n>  \n13\n\n>  \n13\n\n$$$$\nRing21\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 21 21  0     0  0            999 V2000\n   13.0927    4.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7000    5.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7000    4.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4537    6.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4631    7.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5095    7.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5428    7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5875    7.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6370    7.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6419    6.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6614    3.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6675    2.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6235    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5583    2.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5110    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4619    2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4601    3.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4049    5.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4047    4.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4478    4.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4480    5.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0     0  0\n  2 10  1  0     0  0\n  3 11  1  0     0  0\n 17 19  1  0     0  0\n 18  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  1  0     0  0\n 11 12  1  0     0  0\n 12 13  1  0     0  0\n 13 14  1  0     0  0\n 14 15  1  0     0  0\n 15 16  1  0     0  0\n 16 17  1  0     0  0\n 19 20  1  0     0  0\n 20  1  1  0     0  0\n  1 21  1  0     0  0\n 21 18  1  0     0  0\nM  END\n>  \nRings\n\n>  \nlibrary.svg#tmpl245\n\n>  \n0\n\n>  \n0\n\n$$$$\nalpha-D-Allopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -4.1124    6.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6076    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5974    5.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4025    4.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5974    6.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3373    4.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9974    3.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2076    5.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7775    5.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6076    3.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1476    3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4025    4.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1124    5.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7577    4.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7775    4.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9974    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8224    4.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  8  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n  8  4  1  0     0  0\n  3  5  1  0     0  0\n  3  6  1  0     0  0\n  7 16  1  0     0  0\n 17 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl246\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Altropyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -6.8433    4.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3385    2.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.3283    3.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.1334    2.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.3283    4.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.0682    2.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7283    1.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9384    3.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.5084    3.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3385    1.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8784    2.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.1334    2.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.8433    3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4886    2.4303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.5084    2.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7283    2.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5532    2.4303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  8  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n  8  4  1  0     0  0\n  3  5  1  0     0  0\n  3  6  1  0     0  0\n  7 16  1  0     0  0\n 17 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl247\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Galactopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -6.4899    2.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9851    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.9748    1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7800    1.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.9748    2.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.7148    1.2467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3749   -0.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.1998    0.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1550    1.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9851   -0.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5250    0.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7800    0.4768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4899    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1352    0.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1550    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3749    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5850    1.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 17  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n 17  4  1  0     0  0\n  3  5  1  0     0  0\n  3  6  1  0     0  0\n  7 16  1  0     0  0\n  8 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl248\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Glucopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -7.7107   -0.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2094   -2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.1903   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0088   -1.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.1903   -0.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.8273   -1.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5674   -3.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.3831   -2.1108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3908   -1.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2094   -3.1539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7680   -2.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0088   -2.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.7107   -1.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3937   -2.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3908   -1.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5674   -2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.8923   -1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  6  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n  6  4  1  0     0  0\n  3  5  1  0     0  0\n  3 17  1  0     0  0\n  7 16  1  0     0  0\n  8 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl249\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Gulopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -5.8152    3.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2901    1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2952    2.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1052    2.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2952    3.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9101    2.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6702    0.9031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.5202    1.9532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4801    2.9432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2901    0.9031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8551    1.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1052    1.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.8152    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4651    1.9532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4801    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6702    1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0302    2.4032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  6  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n  6  4  1  0     0  0\n  3  5  1  0     0  0\n  3 17  1  0     0  0\n  7 16  1  0     0  0\n  8 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl250\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Idopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -6.0079    2.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4782    0.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4929    1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2981    1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4929    2.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1031    1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.8630   -0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.6879    0.8561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6731    1.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4782   -0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0431    0.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2981    0.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0079    1.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6533    0.8561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6731    0.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.8630    0.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2329    1.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  6  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n  6  4  1  0     0  0\n  3  5  1  0     0  0\n  3 17  1  0     0  0\n  7 16  1  0     0  0\n  8 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl251\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Mannopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -5.5581    1.8634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0527   -0.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0375    0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8565    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0375    1.7202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7441    0.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.4199   -1.0126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2352    0.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2339    1.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0527   -1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6161   -0.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8565   -0.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.5581    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2325    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2339    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.4199   -0.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6705    0.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 17  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n 17  4  1  0     0  0\n  3  5  1  0     0  0\n  3  6  1  0     0  0\n  7 16  1  0     0  0\n  8 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl252\n\n>  \n9\n\n>  \n16\n\n$$$$\nalpha-D-Talopyranose\n  Ketcher 11161713142D 1   1.00000     0.00000     0\n\n 17 17  0     1  0            999 V2000\n   -6.3613    0.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8363   -1.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.8414   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6514   -1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.8414    0.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5764   -1.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2164   -2.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0414   -1.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0263   -0.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8363   -2.6973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4013   -2.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6514   -1.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3613   -0.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0113   -1.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0263   -1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2164   -1.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4562   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 17  2  1  0     0  0\n  2 15  1  1     0  0\n  3 16  1  1     0  0\n  3  4  1  0     0  0\n 17  4  1  0     0  0\n  3  5  1  0     0  0\n  3  6  1  0     0  0\n  7 16  1  0     0  0\n  8 16  1  0     0  0\n  9 15  1  0     0  0\n  2 10  1  0     0  0\n 11 15  1  0     0  0\n  4 12  1  0     0  0\n  4 13  1  0     0  0\n  2 14  1  0     0  0\n 15 16  1  1     0  0\n 13  1  1  0     0  0\nM  END\n>  \nSugars\n\n>  \nlibrary.svg#tmpl253\n\n>  \n9\n\n>  \n16\n\n$$$$\nfullerene C60\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 60 90  0     0  0            999 V2000\n    8.1533  -10.1609   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5120   -9.2753    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7211   -9.6737   -1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4284   -7.8924    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6441   -6.9280    1.4115 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8106   -9.6782    2.0415 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0295   -8.7030    3.0509 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9469   -7.3351    2.7388 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6766  -11.1024   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1155  -11.5835    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9755  -10.1416   -1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8475  -11.1110    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6349  -10.8139    1.9708 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1564  -11.7548    1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9409  -11.4548    2.4787 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6874  -10.9874    2.9088 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0739   -8.9381   -2.1897 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7682   -9.8885   -1.4198 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6696   -9.0654   -2.3772 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0644  -10.9756   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3595  -11.3790    0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7598   -9.2142   -0.6853 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0558   -9.6210    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3611  -10.6974    1.2254 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4123   -6.6547   -2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8008   -6.5277   -1.8552 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8430   -7.9304   -2.3022 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6373   -7.6755   -1.9309 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6791   -7.8462   -1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0147   -5.5656   -0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0674   -5.7391    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8951   -6.8726    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9892   -7.4108   -0.7846 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5523   -6.1489   -0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6396   -8.3057   -1.6776 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7701   -5.7695   -1.1557 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7608   -5.0959   -0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3383   -5.8515    0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3403   -5.1700    1.5751 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5444   -4.7952    0.9518 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5476   -6.3919    2.2132 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8535   -5.4411    1.4456 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5858   -4.9664    1.8803 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9810   -6.8781    3.4234 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7114   -9.1401    2.8425 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2717   -8.6582    1.6457 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1904   -7.2758    1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0632   -8.2456    3.7369 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2924   -9.8955    4.0975 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9320  -10.7811    3.2133 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1480  -10.4012    2.5830 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8614   -8.6206    4.3621 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6340   -7.6127    4.2389 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0720   -8.8741    3.9774 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9055  -10.0226    3.9070 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0361   -7.4850    4.4331 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0254   -5.4466    3.0771 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6379   -5.5719    2.8889 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9380   -6.6611    3.4734 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7278   -6.4079    3.8535 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1 12  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3 11  2  0  0  0  0\n  3 35  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4 33  1  0  0  0  0\n  5  8  1  0  0  0  0\n  5 38  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6 13  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 54  1  0  0  0  0\n  8 59  2  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n  9 20  1  0  0  0  0\n 10 12  1  0  0  0  0\n 10 14  1  0  0  0  0\n 11 19  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 16  1  0  0  0  0\n 14 15  2  0  0  0  0\n 14 21  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 50  1  0  0  0  0\n 16 55  2  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  2  0  0  0  0\n 17 28  1  0  0  0  0\n 18 20  2  0  0  0  0\n 18 22  1  0  0  0  0\n 19 27  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 24  2  0  0  0  0\n 22 23  2  0  0  0  0\n 22 29  1  0  0  0  0\n 23 24  1  0  0  0  0\n 23 46  1  0  0  0  0\n 24 51  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  2  0  0  0  0\n 25 36  1  0  0  0  0\n 26 28  2  0  0  0  0\n 26 30  1  0  0  0  0\n 27 35  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 32  2  0  0  0  0\n 30 31  2  0  0  0  0\n 30 37  1  0  0  0  0\n 31 32  1  0  0  0  0\n 31 42  1  0  0  0  0\n 32 47  1  0  0  0  0\n 33 34  1  0  0  0  0\n 33 35  2  0  0  0  0\n 34 36  2  0  0  0  0\n 34 38  1  0  0  0  0\n 36 37  1  0  0  0  0\n 37 40  2  0  0  0  0\n 38 39  2  0  0  0  0\n 39 40  1  0  0  0  0\n 39 58  1  0  0  0  0\n 40 43  1  0  0  0  0\n 41 42  1  0  0  0  0\n 41 44  2  0  0  0  0\n 41 47  1  0  0  0  0\n 42 43  2  0  0  0  0\n 43 57  1  0  0  0  0\n 44 48  1  0  0  0  0\n 44 60  1  0  0  0  0\n 45 46  1  0  0  0  0\n 45 48  2  0  0  0  0\n 45 51  1  0  0  0  0\n 46 47  2  0  0  0  0\n 48 52  1  0  0  0  0\n 49 50  1  0  0  0  0\n 49 52  2  0  0  0  0\n 49 55  1  0  0  0  0\n 50 51  2  0  0  0  0\n 52 56  1  0  0  0  0\n 53 54  2  0  0  0  0\n 53 56  1  0  0  0  0\n 53 59  1  0  0  0  0\n 54 55  1  0  0  0  0\n 56 60  2  0  0  0  0\n 57 58  2  0  0  0  0\n 57 60  1  0  0  0  0\n 58 59  1  0  0  0  0\nM  END\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl254\n\n>  \n18\n\n>  \n34\n\n$$$$\nadamantane\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 10 12  0     0  0            999 V2000\n   15.2172   -8.1314    1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4398   -7.4133   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2919   -8.3429   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9004   -9.6792   -1.1737 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6785  -10.3958   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8276   -9.4680    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8081   -9.1570   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0325   -8.4390   -1.8401 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4215   -7.1042   -1.3049 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8828   -9.3683   -2.3500 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  4 10  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  2  9  1  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  5  6  1  0  0  0  0\n  8 10  1  0  0  0  0\n  2  3  1  0  0  0  0\nM  END\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl255\n\n>  \n1\n\n>  \n0\n$$$$\ncubane\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n  8 12  0     0  0            999 V2000\n   10.5569   -9.9029    4.2925 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2017   -9.5628    4.9812 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5825   -8.4868    3.6463 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3483   -7.9339    4.8851 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9705   -9.0155    6.2193 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3256   -9.3519    5.5298 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2296   -8.1444    4.3386 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9966   -7.5972    5.5784 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  1  6  1  0  0  0  0\n  2  5  1  0  0  0  0\n  7  2  1  0  0  0  0\n  3  4  1  0  0  0  0\n  7  3  1  0  0  0  0\n  4  6  1  0  0  0  0\n  8  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  8  5  1  0  0  0  0\n  8  7  1  0  0  0  0\nM  END\n>  \n0\n\n>  \n0\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl256\n\n$$$$\nring 6 boat\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n   11.2934   -7.8385   -0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2480   -6.3919    0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1209   -8.2282    2.2065 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5795  -10.2283    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2777   -9.8706   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5448   -7.5081   -2.7767 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7930   -7.7993   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8567   -7.8369    0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7961   -6.3928    0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0357   -7.4556   -2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7535   -9.8351   -1.1468 H   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0584  -10.2582    1.3110 H   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6187   -8.3063    2.8894 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6881   -8.3653   -1.4688 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2260   -8.3597   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9985   -8.7537    0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5364   -8.7481    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3614   -7.8158    0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  7  1  0  0  0  0\n  3 16  1  0  0  0  0\n  4 16  1  0  0  0  0\n  5 14  1  0  0  0  0\n  6 14  1  0  0  0  0\n  7 14  1  0  0  0  0\n  7 16  1  0  0  0  0\n  8 18  1  0  0  0  0\n  9 18  1  0  0  0  0\n 10 15  1  0  0  0  0\n 11 15  1  0  0  0  0\n 12 17  1  0  0  0  0\n 13 17  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 18  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n  1  7  1  0  0  0  0\nM  END\n>  \n0\n\n>  \n17\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl257\n\n$$$$\nring 6 chair\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 18 18  0     0  0            999 V2000\n    6.4738   -5.6532   -0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4541   -4.2314    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2774   -5.9986    2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7022   -8.0409    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4210   -7.7512   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7429   -5.4159   -2.7877 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0262   -7.2017    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0549   -8.6186   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6856   -6.5861    1.4297 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7917   -7.4939    2.7473 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0968   -5.1271    1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1503   -6.5687    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3966   -6.2651   -1.0354 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5752   -7.1963    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8371   -4.7668   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2658   -6.7684   -2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8611   -6.2475   -1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9719   -5.6379   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2 18  1  0  0  0  0\n  3 12  1  0  0  0  0\n  4 12  1  0  0  0  0\n  5 17  1  0  0  0  0\n  6 17  1  0  0  0  0\n  7 14  1  0  0  0  0\n  8 14  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n  9 12  1  0  0  0  0\n  9 14  1  0  0  0  0\n 12 18  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 13 16  1  0  0  0  0\n 13 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n  1 18  1  0  0  0  0\nM  END\n>  \n0\n\n>  \n17\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl258\n\n$$$$\nferrocene\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 21 30  0     0  0            999 V2000\n   10.7433   -4.6065   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1199   -5.2233    1.4626 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8813   -5.4347    2.6717 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9893   -4.9432    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0583   -4.4230   -1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8850   -5.0258    0.7924 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.5484   -4.7171   -0.5593 C   0  0  0  0  0  5  0  0  0  0  0  0\n   10.0737   -4.8235   -0.3755 C   0  0  0  0  0  5  0  0  0  0  0  0\n   10.3426   -5.1926    1.0905 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.9947   -5.3190    1.8095 C   0  0  0  0  0  4  0  0  0  0  0  0\n    9.0287   -7.2803   -0.0160 Fe  0  0  0  0  0  0  0  0  0  0  0  0\n    6.8301   -9.3252   -1.3831 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4779   -9.9251    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9836  -10.0770    1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0339   -9.5923   -1.0056 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1165   -9.0779   -2.7663 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1539   -9.5146   -0.7880 C   0  0  0  0  0  5  0  0  0  0  0  0\n    9.0210   -9.2478   -1.7601 C   0  0  0  0  0  5  0  0  0  0  0  0\n    7.7109   -9.3705   -0.9994 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.0440   -9.7186    0.4389 C   0  0  0  0  0  5  0  0  0  0  0  0\n    9.5495   -9.8067    0.5699 C   0  0  0  0  0  4  0  0  0  0  0  0\n  1  8  1  0  0  0  0\n  2  9  1  0  0  0  0\n  3 10  1  0  0  0  0\n  4  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6 10  1  0  0  0  0\n  6 11  1  0  0  0  0\n  7 11  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 11  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 17  1  0  0  0  0\n 11 18  1  0  0  0  0\n 11 19  1  0  0  0  0\n 11 20  1  0  0  0  0\n 11 21  1  0  0  0  0\n 12 19  1  0  0  0  0\n 13 20  1  0  0  0  0\n 14 21  1  0  0  0  0\n 15 17  1  0  0  0  0\n 16 18  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 21  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n  7  8  1  0  0  0  0\nM  CHG  3  10  -1  11   2  21  -1\nM  END\n>  \n0\n\n>  \n29\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl259\n\n$$$$\nbis(benzene)chromium\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 25 36  0     0  0            999 V2000\n    6.4355   -9.0395   -1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9645   -9.0205   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8350   -9.9405    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6010   -8.0061   -3.3654 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5675   -9.9807    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6580   -7.9387   -3.4841 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7133   -8.9130   -1.0583 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.4060   -9.4512    0.1516 C   0  0  0  0  0  5  0  0  0  0  0  0\n    9.9460   -9.4512    0.1516 C   0  0  0  0  0  5  0  0  0  0  0  0\n    7.6316   -8.9131   -1.0546 C   0  0  0  0  0  5  0  0  0  0  0  0\n    9.9423   -8.3732   -2.2747 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.4043   -8.3734   -2.2720 C   0  0  0  0  0  5  0  0  0  0  0  0\n    9.1789   -6.5719    0.0084 Cr  0  0  0  0  0  0  0  0  0  0  0  0\n    6.4896   -4.2075    1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9323   -4.0735    0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6895   -3.2859   -0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7804   -5.1073    3.2258 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3721   -3.1694   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8953   -5.2543    3.5528 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7017   -4.2171    0.9515 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.3254   -3.7502   -0.0765 C   0  0  0  0  0  5  0  0  0  0  0  0\n    9.8419   -3.7057   -0.1884 C   0  0  0  0  0  5  0  0  0  0  0  0\n    7.6652   -4.2995    1.1662 C   0  0  0  0  0  5  0  0  0  0  0  0\n   10.0444   -4.7658    2.2003 C   0  0  0  0  0  5  0  0  0  0  0  0\n    8.5286   -4.8076    2.3055 C   0  0  0  0  0  5  0  0  0  0  0  0\n  1 10  1  0  0  0  0\n  2  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  4 11  1  0  0  0  0\n  5  9  1  0  0  0  0\n  6 12  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 11  2  0  0  0  0\n  7 13  1  0  0  0  0\n  8 10  1  0  0  0  0\n  8 13  1  0  0  0  0\n  9 13  1  0  0  0  0\n 10 12  2  0  0  0  0\n 10 13  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 20  1  0  0  0  0\n 13 21  1  0  0  0  0\n 13 22  1  0  0  0  0\n 13 23  1  0  0  0  0\n 13 24  1  0  0  0  0\n 13 25  1  0  0  0  0\n 14 23  1  0  0  0  0\n 15 20  1  0  0  0  0\n 16 21  1  0  0  0  0\n 17 24  1  0  0  0  0\n 18 22  1  0  0  0  0\n 19 25  1  0  0  0  0\n 20 22  1  0  0  0  0\n 20 24  2  0  0  0  0\n 21 22  2  0  0  0  0\n 21 23  1  0  0  0  0\n 23 25  2  0  0  0  0\n 24 25  1  0  0  0  0\n  8  9  2  0  0  0  0\nM  END\n>  \n13\n\n>  \n32\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl260\n\n$$$$\nB12H12(2-)\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 24 42  0     0  0            999 V2000\n   12.4312   -3.2376    0.4439 B   0  0  0  0  0  6  0  0  0  0  0  0\n   16.4207   -5.8576   -0.2695 B   0  0  0  0  0  6  0  0  0  0  0  0\n   14.1001   -6.2706    3.8919 B   0  0  0  0  0  6  0  0  0  0  0  0\n    9.3404   -6.0750    2.9813 B   0  0  0  0  0  6  0  0  0  0  0  0\n    8.7969   -5.5378   -1.7981 B   0  0  0  0  0  6  0  0  0  0  0  0\n   13.1757   -5.4213   -3.7933 B   0  0  0  0  0  6  0  0  0  0  0  0\n    8.1864   -9.9878    0.2781 B   0  0  0  0  0  6  0  0  0  0  0  0\n   10.5209   -9.5795   -3.9123 B   0  0  0  0  0  6  0  0  0  0  0  0\n   15.2666   -9.7699   -2.9723 B   0  0  0  0  0  6  0  0  0  0  0  0\n   15.8533  -10.3140    1.7916 B   0  0  0  0  0  6  0  0  0  0  0  0\n   11.4884  -10.4352    3.7578 B   0  0  0  0  0  6  0  0  0  0  0  0\n   12.1760  -12.6074   -0.4354 B   0  0  0  0  0  6  0  0  0  0  0  0\n   12.4749   -1.7046    0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8310   -5.1795   -0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6662   -5.7081    5.2069 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3627   -5.4572    3.9536 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6209   -4.7599   -2.4114 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4468   -4.5890   -5.0444 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8191  -10.6723    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9409  -10.1369   -5.1983 H   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2582  -10.3930   -3.9739 H   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0014  -11.0826    2.4636 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1894  -11.2582    5.0672 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1461  -14.1455   -0.6043 H   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  1  6  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  6  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n  2 14  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3 10  1  0  0  0  0\n  3 11  1  0  0  0  0\n  3 15  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  7  1  0  0  0  0\n  4 11  1  0  0  0  0\n  4 16  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  5 17  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  6 18  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 11  1  0  0  0  0\n  7 12  1  0  0  0  0\n  7 19  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 12  1  0  0  0  0\n  8 20  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 12  1  0  0  0  0\n  9 21  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  1  0  0  0  0\n 10 22  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 23  1  0  0  0  0\n 12 24  1  0  0  0  0\n  1 13  1  0  0  0  0\nM  CHG  2   1  -1  12  -1\nM  END\n>  \n12\n\n>  \n0\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl261\n\n$$$$\nvitamin B12\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n103114  0     0  0            999 V2000\n   10.0126   -6.0489  -13.5041 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2665   -4.8038  -15.4155 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0719   -4.7946  -16.7187 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8472   -5.1986  -15.5844 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9546   -4.9961  -16.0533 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4802   -5.5205  -14.6269 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3257   -5.3477  -15.0230 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.2452   -5.9492  -13.5110 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9757   -6.4703  -12.1989 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.5273   -7.2118  -10.3388 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0197   -7.7946   -8.9278 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5538   -8.5006   -7.2370 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8115   -8.8424   -6.3353 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3804   -8.3915   -7.4797 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3227   -8.6564   -7.0103 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7712   -8.1015   -8.4087 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5465   -8.2236   -8.2815 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6917   -7.9286  -10.2200 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4134   -6.8953  -11.4432 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6144   -6.7969  -11.5192 Co  0  0  0  0  0  6  0  0  0  0  0  0\n   12.2857   -5.9898  -13.6053 N   0  0  0  0  0  4  0  0  0  0  0  0\n   15.8974   -6.2784  -12.7299 N   0  0  0  0  0  4  0  0  0  0  0  0\n   14.9683   -7.6066   -9.4297 N   0  0  0  0  0  4  0  0  0  0  0  0\n   11.3583   -7.3147  -10.3330 N   0  0  0  0  0  3  0  0  0  0  0  0\n   13.6089   -4.2778  -10.6365 C   0  0  0  0  0  4  0  0  0  0  0  0\n    9.5801   -8.7584  -13.9042 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4453   -2.8614  -14.8927 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4101   -5.8354  -16.5037 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1634   -2.8242  -17.7312 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3864   -5.7747  -18.2208 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5249   -7.0185  -16.5061 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7675   -3.5479  -15.3782 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4569  -10.0661   -7.3817 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4052   -7.9169   -6.3130 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8156   -7.2528   -4.7450 H   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7237  -10.7118   -5.8515 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9023  -10.1564   -7.4863 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7957   -6.6276   -6.9202 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9087   -6.6565  -10.0941 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0783   -9.8969  -11.0575 H   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5150   -4.2054  -18.0068 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7364   -9.4165   -5.0289 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5533  -10.7271   -8.9073 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9804   -5.8129  -10.9834 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6757  -11.3323  -13.1820 N   0  0  0  0  0  4  0  0  0  0  0  0\n   12.8841  -12.0634  -13.1495 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5374  -11.8140  -13.4950 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3354  -12.8901  -13.6165 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2952  -13.0084  -13.3833 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5439  -11.4691  -13.6699 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2732  -12.1354  -13.9651 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0710  -13.2114  -14.0865 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0926  -13.5594  -13.9132 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2799  -11.7879  -14.1397 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7994  -13.8782  -14.3561 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8380  -13.7498  -13.5877 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9307  -14.2220  -12.4729 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5996  -14.2426  -12.2918 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7574  -15.0262  -10.3782 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5040  -14.9970  -10.5281 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2774  -15.6088  -12.6360 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7189  -11.9931  -14.1935 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6269  -15.5329  -15.5283 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6856  -17.1207  -10.1971 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3152  -17.1087   -8.3976 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0383  -13.2992   -8.9005 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7202  -15.8056  -13.5771 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7327  -12.3458  -12.9365 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7235  -12.3118  -12.2754 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7534  -13.6586  -12.6192 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5577  -13.4895  -11.9328 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4710  -13.0662  -12.5859 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7849  -11.8224  -15.4096 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7267  -12.4339  -11.0249 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2585  -14.6633  -11.3010 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2011  -14.0490  -11.8767 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2182  -12.9593  -10.6096 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3586  -11.2160  -12.3884 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1340  -13.0039   -9.7572 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5516   -7.1810  -10.1929 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2010   -6.3792  -10.1999 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4260   -8.3234  -10.2821 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6452   -3.0804  -15.0021 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2828   -2.3624  -15.0118 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3796   -4.2070  -15.0993 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6112   -4.4140  -18.1337 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5579   -2.8834  -18.0956 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9350   -1.8793  -18.0952 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5332   -1.9770  -18.0310 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6329   -2.8548  -15.4074 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4644   -3.4580  -15.4721 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6644   -2.1519  -15.4294 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3112   -4.5349  -12.8385 H   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3404   -7.4169  -13.9250 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0913   -8.6322  -13.9674 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6425   -9.7675  -13.9743 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1661  -10.6445  -13.9755 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7050  -10.3118  -14.0278 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5025  -11.2248   -5.7907 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7454  -12.5808   -5.8163 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1068  -13.4968   -5.8671 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9107  -13.2774   -5.7859 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5851   -2.8203  -10.1780 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1 19  1  0  0  0  0\n  1 21  1  0  0  0  0\n  1 26  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2 27  1  0  0  0  0\n  2 28  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3 29  1  0  0  0  0\n  3 30  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4 21  2  0  0  0  0\n  5  6  2  0  0  0  0\n  5 41  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6 22  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 31  1  0  0  0  0\n  7 32  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 93  1  0  0  0  0\n  8 94  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 22  2  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 11 23  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 33  1  0  0  0  0\n 12 34  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 35  1  0  0  0  0\n 13 36  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 23  2  0  0  0  0\n 15 16  2  0  0  0  0\n 15 42  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 24  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 37  1  0  0  0  0\n 17 38  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 39  1  0  0  0  0\n 18 40  1  0  0  0  0\n 19 24  1  0  0  0  0\n 19 44  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 20 24  1  0  0  0  0\n 20 25  1  0  0  0  0\n 20 45  1  0  0  0  0\n 25103  3  0  0  0  0\n 27 83  1  0  0  0  0\n 30 86  1  0  0  0  0\n 32 90  1  0  0  0  0\n 36 99  1  0  0  0  0\n 37 43  1  0  0  0  0\n 39 80  1  0  0  0  0\n 43 77  1  0  0  0  0\n 45 46  2  0  0  0  0\n 45 47  1  0  0  0  0\n 46 49  1  0  0  0  0\n 47 48  2  0  0  0  0\n 47 50  1  0  0  0  0\n 48 49  1  0  0  0  0\n 48 53  1  0  0  0  0\n 49 58  1  0  0  0  0\n 50 51  2  0  0  0  0\n 51 52  1  0  0  0  0\n 51 54  1  0  0  0  0\n 52 53  2  0  0  0  0\n 52 55  1  0  0  0  0\n 56 57  1  0  0  0  0\n 56 58  1  0  0  0  0\n 56 62  1  0  0  0  0\n 56 63  1  0  0  0  0\n 57 60  1  0  0  0  0\n 57 67  1  0  0  0  0\n 57 69  1  0  0  0  0\n 58 59  1  0  0  0  0\n 58 61  1  0  0  0  0\n 59 60  1  0  0  0  0\n 60 64  1  0  0  0  0\n 60 66  1  0  0  0  0\n 64 65  1  0  0  0  0\n 68 69  1  0  0  0  0\n 68 70  1  0  0  0  0\n 68 73  2  0  0  0  0\n 68 78  1  0  0  0  0\n 70 71  1  0  0  0  0\n 71 72  1  0  0  0  0\n 71 74  1  0  0  0  0\n 71 75  1  0  0  0  0\n 72 76  1  0  0  0  0\n 76 77  1  0  0  0  0\n 77 79  2  0  0  0  0\n 80 81  1  0  0  0  0\n 80 82  2  0  0  0  0\n 83 85  2  0  0  0  0\n 86 87  1  0  0  0  0\n 87 88  1  0  0  0  0\n 87 89  2  0  0  0  0\n 90 91  1  0  0  0  0\n 90 92  2  0  0  0  0\n 94 95  1  0  0  0  0\n 95 96  1  0  0  0  0\n 96 97  1  0  0  0  0\n 96 98  2  0  0  0  0\n 99100  1  0  0  0  0\n100101  1  0  0  0  0\n100102  2  0  0  0  0\n 83 84  1  0  0  0  0\nM  CHG  4  20   3  24  -1  25  -1  78  -1\nM  END\n>  \n83\n\n>  \n113\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl262\n\n$$$$\nsucrose\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 31 32  0     0  0            999 V2000\n    5.2890   -7.5286   -0.0614 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6624   -5.1211   -0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2941   -5.7056    2.0759 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9494   -7.5048    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0481   -8.2707   -1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2890   -4.4624   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3001   -5.0862    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1244   -4.8497    1.9163 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5502   -3.7821    0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2117   -6.2026    0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3725   -5.8284   -1.8918 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3225   -6.4586   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2839   -6.9390   -1.5749 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5059   -7.2324   -2.8968 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5117   -6.1824   -4.0570 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2609   -5.5788   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9153   -6.8782   -0.1205 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4269   -6.7225    2.4575 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3241   -8.0774    2.1099 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1140   -7.8468   -1.0282 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3110   -9.0856   -0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5240   -8.9610    1.2547 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7799  -10.1548    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8853   -8.7670    1.9939 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6894   -7.6334    1.4979 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4355   -6.9446    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0396   -5.5329    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4050   -5.2699   -0.5577 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7885   -9.0951   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1875  -10.4160   -0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0011  -11.7179   -0.6982 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1 12  1  0  0  0  0\n  2 12  1  0  0  0  0\n  3 10  1  0  0  0  0\n  4 10  1  0  0  0  0\n  5 13  1  0  0  0  0\n  6 16  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  7 16  1  0  0  0  0\n 10 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 11 16  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 16 17  1  0  0  0  0\n 17 26  1  0  0  0  0\n 18 25  1  0  0  0  0\n 19 25  1  0  0  0  0\n 20 26  1  0  0  0  0\n 20 29  1  0  0  0  0\n 21 29  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 22 29  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 27 28  1  0  0  0  0\nM  END\n>  \n20\n\n>  \n22\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl263\n\n$$$$\nMo7O24\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 31 42  0     0  0            999 V2000\n    8.3825   -6.6288    0.5307 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    8.0566   -8.0054    0.0391 O   0  0  0  0  0  2  0  0  0  0  0  0\n    9.6225   -7.1718    1.1905 O   0  0  0  0  0  2  0  0  0  0  0  0\n    7.4634   -4.7037    0.3717 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    8.7036   -5.2443    1.0328 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.5457   -2.7785    0.2130 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    5.3026   -2.2284   -0.4344 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.8689   -1.3946    0.7160 O   0  0  0  0  0  2  0  0  0  0  0  0\n    7.7859   -3.3192    0.8741 O   0  0  0  0  0  2  0  0  0  0  0  0\n    7.8935   -5.8337   -1.3972 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    7.5257   -7.2356   -1.8700 O   0  0  0  0  0  2  0  0  0  0  0  0\n    9.1639   -6.3573   -0.7629 O   0  0  0  0  0  2  0  0  0  0  0  0\n    8.6584   -5.5970   -2.7259 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.9618   -3.8926   -1.5768 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    5.6757   -3.3420   -2.2214 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.6072   -5.3104   -2.0267 O   0  0  0  0  0  2  0  0  0  0  0  0\n    7.3276   -2.5064   -1.0793 O   0  0  0  0  0  2  0  0  0  0  0  0\n    8.2454   -4.4322   -0.9197 O   0  0  0  0  0  3  0  0  0  0  0  0\n    7.7257   -3.6594   -2.9288 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.3294   -6.3423    1.1548 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    5.9769   -7.6983    0.6446 O   0  0  0  0  0  2  0  0  0  0  0  0\n    7.5984   -6.9043    1.8353 O   0  0  0  0  0  2  0  0  0  0  0  0\n    5.5195   -6.6078    2.4374 O   0  0  0  0  0  2  0  0  0  0  0  0\n    7.1374   -6.0780   -0.1178 O   0  0  0  0  0  4  0  0  0  0  0  0\n    5.4562   -4.4102    0.9865 Mo  0  0  0  0  0  0  0  0  0  0  0  0\n    5.1170   -5.7537    0.4947 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.6789   -4.9771    1.6760 O   0  0  0  0  0  3  0  0  0  0  0  0\n    4.2276   -3.8981    0.3645 O   0  0  0  0  0  2  0  0  0  0  0  0\n    5.7599   -3.0518    1.5169 O   0  0  0  0  0  2  0  0  0  0  0  0\n    4.6888   -4.6683    2.2585 O   0  0  0  0  0  2  0  0  0  0  0  0\n    6.2191   -4.1522   -0.2765 O   0  0  0  0  0  4  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\n  1  5  1  0  0  0  0\n  1 12  1  0  0  0  0\n  1 22  1  0  0  0  0\n  1 24  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  9  1  0  0  0  0\n  4 18  1  0  0  0  0\n  4 24  1  0  0  0  0\n  4 27  1  0  0  0  0\n  4 31  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  2  0  0  0  0\n  6  9  1  0  0  0  0\n  6 17  1  0  0  0  0\n  6 29  1  0  0  0  0\n  6 31  1  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  1  0  0  0  0\n 10 13  2  0  0  0  0\n 10 16  1  0  0  0  0\n 10 18  1  0  0  0  0\n 10 24  1  0  0  0  0\n 14 15  2  0  0  0  0\n 14 16  1  0  0  0  0\n 14 17  1  0  0  0  0\n 14 18  1  0  0  0  0\n 14 19  2  0  0  0  0\n 14 31  1  0  0  0  0\n 20 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n 20 24  1  0  0  0  0\n 20 26  1  0  0  0  0\n 20 27  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  1  0  0  0  0\n 25 28  2  0  0  0  0\n 25 29  1  0  0  0  0\n 25 30  2  0  0  0  0\n 25 31  1  0  0  0  0\n 20 23  2  0  0  0  0\nM  CHG  8   1   6   2  -2   3  -2   4   6   5  -2   6   6   7  -2   8  -2\nM  END\n>  \n1\n\n>  \n0\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl264\n\n$$$$\nC20H20\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 40 50  0     0  0            999 V2000\n    7.5483   -7.7451   -3.3419 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3984   -5.8792   -3.4318 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3399   -6.5425   -1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6820   -3.9425   -1.6474 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8163   -7.1034   -1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5722   -4.7343   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1701   -7.2380   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8300   -6.9765   -2.5544 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6631   -7.1690   -1.5375 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4077   -9.5239   -2.1472 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9006  -10.0139    0.4722 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6600   -8.8749    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5136   -5.9115   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5338   -7.8406    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6981   -8.8654    3.4177 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4046  -10.6907    1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3185   -9.3106    0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4958  -10.8075   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5552   -7.8780    2.6983 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8522   -9.1147    0.4514 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1601   -8.2997    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5774   -7.5989    1.5700 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6577   -4.0099    0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0808   -6.4894   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9123   -5.4699   -0.9424 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9155   -8.2329    2.0184 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0766   -7.5513    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6780   -6.9857    3.3021 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5861   -5.8939   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9973   -5.0597    1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3193   -5.8429    1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4740   -4.7173    2.5743 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9809   -7.1457    1.9811 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8270   -6.1245    1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0023   -5.4308    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9125   -8.9385   -1.4737 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2374   -9.3522   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4116   -8.6461   -1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7726   -9.9758   -2.5047 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2577   -7.6250   -1.9478 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 40  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  9  1  0  0  0  0\n  3 25  1  0  0  0  0\n  3 40  1  0  0  0  0\n  4 25  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6 29  1  0  0  0  0\n  7 21  1  0  0  0  0\n  7 29  1  0  0  0  0\n  7 40  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 24  1  0  0  0  0\n  9 38  1  0  0  0  0\n 10 38  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 17  1  0  0  0  0\n 12 27  1  0  0  0  0\n 12 38  1  0  0  0  0\n 13 24  1  0  0  0  0\n 14 27  1  0  0  0  0\n 15 26  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 26  1  0  0  0  0\n 17 37  1  0  0  0  0\n 18 37  1  0  0  0  0\n 19 22  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 37  1  0  0  0  0\n 22 26  1  0  0  0  0\n 22 34  1  0  0  0  0\n 23 35  1  0  0  0  0\n 24 27  1  0  0  0  0\n 24 35  1  0  0  0  0\n 25 29  1  0  0  0  0\n 25 35  1  0  0  0  0\n 26 33  1  0  0  0  0\n 27 33  1  0  0  0  0\n 28 33  1  0  0  0  0\n 29 34  1  0  0  0  0\n 30 34  1  0  0  0  0\n 31 32  1  0  0  0  0\n 31 33  1  0  0  0  0\n 31 35  1  0  0  0  0\n 36 37  1  0  0  0  0\n 36 38  1  0  0  0  0\n 36 39  1  0  0  0  0\n 36 40  1  0  0  0  0\n 31 34  1  0  0  0  0\nM  END\n>  \n19\n\n>  \n27\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl265\n\n$$$$\nCo4CO12\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 28 33  0     0  0            999 V2000\n   11.5119   -6.3872    0.2843 Co  0  0  0  0  0  0  0  0  0  0  0  0\n   14.2537   -5.1567    0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1271   -4.1574   -1.8138 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1405   -4.5859    2.5258 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6477   -4.5559    1.3649 O   0  0  0  0  0  3  0  0  0  0  0  0\n   10.9606   -3.0390   -2.8593 O   0  0  0  0  0  3  0  0  0  0  0  0\n    9.4644   -3.6875    3.6182 O   0  0  0  0  0  3  0  0  0  0  0  0\n   10.6811  -11.2763    3.0909 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1263   -9.1532    3.4762 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6597  -11.9110    3.5304 O   0  0  0  0  0  3  0  0  0  0  0  0\n   11.3435   -8.7342    4.0978 O   0  0  0  0  0  3  0  0  0  0  0  0\n    8.4053   -7.8212   -2.1068 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9144  -10.0973   -2.4249 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1429   -7.1175   -2.4596 O   0  0  0  0  0  3  0  0  0  0  0  0\n    7.4262  -10.5365   -2.9426 O   0  0  0  0  0  3  0  0  0  0  0  0\n   14.0567   -9.1427   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7234  -11.1613   -1.8250 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5969   -8.6889   -1.7190 O   0  0  0  0  0  3  0  0  0  0  0  0\n   14.0925  -11.7138   -2.1238 O   0  0  0  0  0  3  0  0  0  0  0  0\n    7.8227   -9.3450    1.4166 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6523   -9.0552    2.5252 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6963  -10.0134    2.2132 Co  0  0  0  0  0  0  0  0  0  0  0  0\n   13.6352  -10.5336    1.7363 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6119  -11.0927    3.0899 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9779  -10.0343   -1.2076 Co  0  0  0  0  0  0  0  0  0  0  0  0\n   11.1257   -9.3771   -3.5447 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9140   -9.2088   -1.3937 Co  0  0  0  0  0  0  0  0  0  0  0  0\n   11.3211   -9.1075   -6.0026 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 22  1  0  0  0  0\n  1 25  1  0  0  0  0\n  1 27  1  0  0  0  0\n  2  5  3  0  0  0  0\n  4  7  3  0  0  0  0\n  8 10  3  0  0  0  0\n  8 22  1  0  0  0  0\n  9 11  3  0  0  0  0\n  9 22  1  0  0  0  0\n 12 14  3  0  0  0  0\n 12 27  1  0  0  0  0\n 13 15  3  0  0  0  0\n 13 27  1  0  0  0  0\n 16 18  3  0  0  0  0\n 16 25  1  0  0  0  0\n 17 19  3  0  0  0  0\n 17 25  1  0  0  0  0\n 20 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n 20 27  1  0  0  0  0\n 22 23  1  0  0  0  0\n 22 25  1  0  0  0  0\n 22 27  1  0  0  0  0\n 23 24  2  0  0  0  0\n 23 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  1  0  0  0  0\n 26 27  1  0  0  0  0\n 26 28  2  0  0  0  0\n  3  6  3  0  0  0  0\nM  END\n>  \n0\n\n>  \n4\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl266\n\n$$$$\nFeCO5\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 11 10  0     0  0            999 V2000\n   10.8202   -7.3426    0.0023 Fe  0  0  0  0  0  0  0  0  0  0  0  0\n    8.9246   -7.3587    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7011   -7.0667   -1.5928 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7827   -7.6197    1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8213   -5.0591    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8193   -9.6084   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4397   -6.8395   -2.8953 O   0  0  0  0  0  3  0  0  0  0  0  0\n   12.5339   -7.8271    2.8412 O   0  0  0  0  0  3  0  0  0  0  0  0\n    7.4162   -7.3784    0.0570 O   0  0  0  0  0  3  0  0  0  0  0  0\n   10.8213   -3.5367    0.5648 O   0  0  0  0  0  3  0  0  0  0  0  0\n   10.8194  -11.1133   -0.5606 O   0  0  0  0  0  3  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  2  9  3  0  0  0  0\n  3  7  3  0  0  0  0\n  4  8  3  0  0  0  0\n  6 11  3  0  0  0  0\n  5 10  3  0  0  0  0\nM  END\n>  \n0\n\n>  \n0\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl267\n\n$$$$\nChlorophyll A\n  Ketcher  3131814142D 1   1.00000     0.00000     0\n\n 71 79  0     0  0            999 V2000\n   11.3221  -15.0514  -29.5828 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2305  -13.9637  -30.5522 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1059  -13.0987  -31.6421 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2769  -12.0678  -31.9997 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0261  -10.6405  -32.9711 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4490   -9.5603  -33.3639 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3289   -8.2505  -34.2571 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7498   -7.5990  -34.3211 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7441   -8.4574  -33.4907 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4825   -8.0571  -33.3382 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5957   -9.1542  -32.3699 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1341   -8.8838  -32.1895 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7396  -10.0405  -31.2878 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5583  -11.0170  -30.9261 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7584  -12.4631  -29.9570 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3808  -13.5626  -29.5873 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5088  -14.8558  -28.7128 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0728  -15.5355  -28.6110 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0058  -16.8885  -27.9733 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0886  -14.6273  -29.4323 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7585  -13.1416  -30.2471 N   0  0  0  0  0  3  0  0  0  0  0  0\n   10.9009  -12.4760  -31.3615 N   0  0  0  0  0  4  0  0  0  0  0  0\n   12.0949   -9.9691  -32.6922 N   0  0  0  0  0  3  0  0  0  0  0  0\n   14.9259  -10.6395  -31.5603 N   0  0  0  0  0  4  0  0  0  0  0  0\n   12.9186  -11.5362  -31.4724 Mg  0  0  0  0  0  4  0  0  0  0  0  0\n   13.5390  -18.2856  -26.9337 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3880  -15.6838  -31.4531 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9642  -12.3313  -30.8874 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4960  -13.7478  -32.9395 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8210   -7.6311  -35.0395 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1900   -6.0441  -35.2381 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9034   -5.4078  -35.2032 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0857   -7.4693  -32.9022 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4839  -10.2094  -30.7490 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.7720  -11.1118  -31.7098 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0404  -15.4632  -27.9161 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1151  -16.6720  -27.3536 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3024  -16.5936  -28.5919 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2137  -18.6651  -30.3987 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6234  -17.6524  -29.6841 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8802  -17.6043  -29.3038 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7110  -18.5710  -29.6384 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6710  -14.2462  -30.7495 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2457  -14.2569  -29.2809 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0077  -15.0783  -28.8478 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7950  -14.5946  -25.7989 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4992  -15.1614  -27.9790 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7321  -14.3398  -28.4070 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6748  -12.8007  -28.3915 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2254  -14.4258  -27.5386 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9849  -15.2471  -27.1029 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0404  -16.7958  -27.1222 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5187  -15.3305  -26.2394 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7162  -14.5115  -26.6702 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6570  -12.9703  -26.6494 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1160  -12.3347  -25.3476 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4772  -12.8605  -23.6798 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8305  -13.0506  -25.7933 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4219  -12.9260  -26.1739 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1490  -10.7913  -25.3419 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8590  -10.0255  -25.6682 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5716   -7.7185  -25.9970 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0884   -8.2829  -27.4995 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8731   -8.4769  -25.6698 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6206   -8.2171  -24.8809 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5885   -6.1725  -25.9962 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7089   -5.4213  -26.3218 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7165   -3.8688  -26.3280 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0177   -1.5849  -26.6649 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0177   -3.1249  -26.6649 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3102   -3.9011  -26.9784 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1 20  2  0  0  0  0\n  1 38  1  0  0  0  0\n  2 22  2  0  0  0  0\n  2 43  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3 28  1  0  0  0  0\n  3 29  1  0  0  0  0\n  3 43  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4 22  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6 23  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 30  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 31  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 23  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 11 24  1  0  0  0  0\n 12 13  2  0  0  0  0\n 12 33  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 34  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 24  2  0  0  0  0\n 15 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 16 21  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 36  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  1  0  0  0  0\n 19 26  2  0  0  0  0\n 19 38  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 25  1  0  0  0  0\n 22 25  1  0  0  0  0\n 23 25  1  0  0  0  0\n 24 25  1  0  0  0  0\n 27 43  1  0  0  0  0\n 31 32  2  0  0  0  0\n 34 35  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 41  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  2  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 48  1  0  0  0  0\n 46 53  1  0  0  0  0\n 46 58  1  0  0  0  0\n 47 48  1  0  0  0  0\n 47 50  1  0  0  0  0\n 48 49  2  0  0  0  0\n 50 51  1  0  0  0  0\n 51 52  1  0  0  0  0\n 51 54  2  0  0  0  0\n 53 54  1  0  0  0  0\n 54 55  1  0  0  0  0\n 56 57  1  0  0  0  0\n 56 58  1  0  0  0  0\n 56 59  1  0  0  0  0\n 56 60  1  0  0  0  0\n 60 61  1  0  0  0  0\n 61 64  1  0  0  0  0\n 62 63  1  0  0  0  0\n 62 64  1  0  0  0  0\n 62 65  1  0  0  0  0\n 62 66  1  0  0  0  0\n 66 67  1  0  0  0  0\n 67 68  1  0  0  0  0\n 68 70  1  0  0  0  0\n 70 71  1  0  0  0  0\n 69 70  1  0  0  0  0\nM  CHG  3  21  -1  23  -1  25   2\nM  END\n>  \n31\n\n>  \n44\n\n>  \n3D Templates\n\n>  \nlibrary.svg#tmpl268\n\n$$$$\nPhenylalanine mustard\n  Ketcher  8252313372D 1   1.00000     0.00000     0\n\n 19 19  0  0  0  0  0  0  0  0999 V2000\n   18.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2500   -9.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2500  -11.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2500  -11.6071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2500   -9.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.2500   -8.1429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   21.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.2500  -11.6071    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0     0  0\n  2  3  1  0     0  0\n  3  4  2  0     0  0\n  4  5  1  0     0  0\n  5  6  2  0     0  0\n  6  1  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  9  1  0     0  0\n  9 10  2  0     0  0\n  9 11  1  0     0  0\n  8 12  1  1     0  0\n  3 13  1  0     0  0\n  13 14  1  0     0  0\n  14 15  1  0     0  0\n  15 16  1  0     0  0\n  13 17  1  0     0  0\n  17 18  1  0     0  0\n  18 19  1  0     0  0\nM  END\n>  \n0\n\n>  \n0\n\n>  \nAromatics\n\n>  \nlibrary.svg#tmpl269\n\n$$$$"),i=function(n,e,t){var r=n.reduce((function(n,e){var t=ve(e).file;return t&&-1===n.indexOf(t)&&n.push(t),n}),[]);return Promise.all(r.map((function(n){return me(e+n).catch((function(){return null}))}))).then((function(n){return n.forEach((function(n){n&&(t.innerHTML+=n)})),r.filter((function(e,t){return!!n[t]}))}))}(o,n+"/templates/",e);return i.then((function(n){return o.map((function(e){var t=ve(e);return t.file&&(e.props.prerender=-1!==n.indexOf(t.file)?"#".concat(t.id):""),e}))}))};function pe(n,e,t){return he.apply(this,arguments)}function he(){return(he=(0,i.Z)(l().mark((function n(e,t,r){return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return ce=[e,t,r],n.abrupt("return",de(t,r).then((function(n){var t=n.concat(fe());e(ue(t)),e(Ce({templates:!0}))})));case 3:case"end":return n.stop()}}),n)})))).apply(this,arguments)}function fe(){var n=Xn.getItem("ketcher-tmpls");if(!Array.isArray(n)||0===n.length)return[];var e=new u.F_l;return n.map((function(n){try{return""===n.props&&(n.props={}),n.props.group="User Templates",{struct:e.deserialize(n.struct),props:n.props}}catch(n){return null}})).filter((function(n){return null!==n}))}function me(n){return fetch(n,{credentials:"same-origin"}).then((function(e){if(e.ok)return e.text();throw Error("Could not fetch "+n)}))}function ve(n){var e=n.props.prerender,t=e&&"".concat(e).split("#",2);return{file:e&&t[0],id:e&&t[1]}}function ge(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function be(n){for(var e=1;e0&&void 0!==arguments[0]?arguments[0]:Pe,t=arguments.length>1?arguments[1]:void 0,r=arguments.length>2?arguments[2]:void 0;return"Custom"===e.key?null===(n=e.properties[t])||void 0===n?void 0:n.default:t||r?r?e[t][r]?e[t][r].properties.fieldValue.default:"":Ne(e[t]):Ne(e)}function ke(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Ie(n){for(var e=1;e0",resth:!1}},save:{errors:{},valid:!0,result:{filename:"ketcher",format:"mol"}},settings:{errors:{},valid:!0,result:Wn()},text:{errors:{},valid:!0,result:{}},attach:{errors:{},valid:!0,result:{}},sgroup:(Te=De,_e="Custom"===Te.key,Be=_e?$e(De,"context"):$e(Pe),Le=_e?$e(De,"fieldName"):$e(Pe,Be),{errors:{},valid:!0,result:{context:Be,fieldName:Le,fieldValue:_e?$e(De,"fieldValue"):$e(Pe,Be,Le),radiobuttons:"Absolute",type:"DAT"}})};function ze(n){return{type:"UPDATE_FORM",data:n}}function Fe(n,e){var t;return"DAT"===(null===(t=e.data)||void 0===t||null===(t=t.result)||void 0===t?void 0:t.type)?function(n,e){if(e.data.result.init)return Ve(Ie(Ie({},n),{},{result:Object.assign({},n.result,e.data.result)}),e.data);var t=e.data.result.context,r=e.data.result.fieldName,o=null;return t!==n.result.context?o=function(n,e){var t=e.context,r=e.fieldValue,o=$e(De,"fieldName"),i=r;return i===n.result.fieldValue&&(i=$e(De,"fieldValue")),{result:Ie(Ie({},e),{},{context:t,fieldName:o,fieldValue:i})}}(n,e.data.result):r!==n.result.fieldName&&(o=function(n,e){var t=e.fieldName,r=n.result.context,o=e.fieldValue;return Pe[r][t]&&(o=$e(Pe,r,t)),o===n.result.fieldValue&&Pe[r][n.result.fieldName]&&(o=""),{result:Ie(Ie({},e),{},{fieldName:t,fieldValue:o})}}(n,e.data.result)),o=o||Ie(Ie({},n),{},{result:Object.assign({},n.result,e.data.result)}),Ve(o,e.data)}(n,e):Object.assign({},n,e.data)}var Ge="INDIGO_VERIFICATION",He="ANALYZING_FILE";function Ze(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Ke(n){for(var e=1;e0,secondary:(2&(t||0))>0})}:n;var e,t}function dt(n){return"rlabel"===n.type?{label:n.values.length?"R#":"C",rglabel:0===n.values.length?null:(e=n.values,t=0,e.forEach((function(n){t|=1<=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function wt(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t1}var jt={hand:{title:"Hand tool",shortcut:"Mod+Alt+h",action:{tool:"hand"},hidden:function(n){return Pn(n,"hand")}},"select-lasso":{title:"Lasso Selection",shortcut:"Escape",action:{tool:"select",opts:"lasso"}},"select-rectangle":{title:"Rectangle Selection",shortcut:"Escape",action:{tool:"select",opts:"rectangle"},hidden:function(n){return Pn(n,"select-rectangle")}},"select-fragment":{title:"Fragment Selection",shortcut:"Escape",action:{tool:"select",opts:"fragment"},hidden:function(n){return Pn(n,"select-fragment")}},erase:{title:"Erase",shortcut:["Delete","Backspace"],action:{tool:"eraser",opts:1},hidden:function(n){return Pn(n,"erase")}},chain:{title:"Chain",action:{tool:"chain"},hidden:function(n){return Pn(n,"chain")}},"enhanced-stereo":{shortcut:"Alt+e",title:"Stereochemistry",action:{tool:"enhancedStereo"},disabled:function(n){return 0===(0,u.f0f)(null==n?void 0:n.struct(),Array.from(null==n?void 0:n.struct().atoms.keys())).length},hidden:function(n){return Pn(n,"enhanced-stereo")}},"charge-plus":{shortcut:"+",title:"Charge Plus",action:{tool:"charge",opts:1},hidden:function(n){return Pn(n,"charge-plus")}},"charge-minus":{shortcut:"-",title:"Charge Minus",action:{tool:"charge",opts:-1},hidden:function(n){return Pn(n,"charge-minus")}},"transform-rotate":{title:"Rotate Tool",action:{tool:"rotate"},hidden:function(n){return Pn(n,"transform-rotate")}},"transform-flip-h":{shortcut:"Alt+h",title:"Horizontal Flip",action:{tool:"rotate",opts:"horizontal"},disabled:St,hidden:function(n){return Pn(n,"transform-flip-h")}},"transform-flip-v":{shortcut:"Alt+v",title:"Vertical Flip",action:{tool:"rotate",opts:"vertical"},disabled:St,hidden:function(n){return Pn(n,"transform-flip-v")}},sgroup:{shortcut:"Mod+g",title:"S-Group",action:{tool:"sgroup"},hidden:function(n){return Pn(n,"sgroup")}},arrows:{hidden:function(n){return Pn(n,"arrows")}},"reaction-arrow-open-angle":{title:"Arrow Open Angle Tool",action:{tool:"reactionarrow",opts:u.mWk.OpenAngle},hidden:function(n){return Pn(n,"reaction-arrow-open-angle")}},"reaction-arrow-filled-triangle":{title:"Arrow Filled Triangle Tool",action:{tool:"reactionarrow",opts:u.mWk.FilledTriangle},hidden:function(n){return Pn(n,"reaction-arrow-filled-triangle")}},"reaction-arrow-filled-bow":{title:"Arrow Filled Bow Tool",action:{tool:"reactionarrow",opts:u.mWk.FilledBow},hidden:function(n){return Pn(n,"reaction-arrow-filled-bow")}},"reaction-arrow-dashed-open-angle":{title:"Arrow Dashed Open Angle Tool",action:{tool:"reactionarrow",opts:u.mWk.DashedOpenAngle},hidden:function(n){return Pn(n,"reaction-arrow-dashed-open-angle")}},"reaction-arrow-failed":{title:"Failed Arrow Tool",action:{tool:"reactionarrow",opts:u.mWk.Failed},hidden:function(n){return Pn(n,"reaction-arrow-failed")}},"reaction-arrow-both-ends-filled-triangle":{title:"Arrow Both Ends Filled Triangle Tool",action:{tool:"reactionarrow",opts:u.mWk.BothEndsFilledTriangle},hidden:function(n){return Pn(n,"reaction-arrow-both-ends-filled-triangle")}},"reaction-arrow-equilibrium-filled-half-bow":{title:"Arrow Equilibrium Filled Half Bow Tool",action:{tool:"reactionarrow",opts:u.mWk.EquilibriumFilledHalfBow},hidden:function(n){return Pn(n,"reaction-arrow-equilibrium-filled-half-bow")}},"reaction-arrow-equilibrium-filled-triangle":{title:"Arrow Equilibrium Filled Triangle Tool",action:{tool:"reactionarrow",opts:u.mWk.EquilibriumFilledTriangle},hidden:function(n){return Pn(n,"reaction-arrow-equilibrium-filled-triangle")}},"reaction-arrow-equilibrium-open-angle":{title:"Arrow Equilibrium Open Angle Tool",action:{tool:"reactionarrow",opts:u.mWk.EquilibriumOpenAngle},hidden:function(n){return Pn(n,"reaction-arrow-equilibrium-open-angle")}},"reaction-arrow-unbalanced-equilibrium-filled-half-bow":{title:"Arrow Unbalanced Equilibrium Filled Half Bow Tool",action:{tool:"reactionarrow",opts:u.mWk.UnbalancedEquilibriumFilledHalfBow},hidden:function(n){return Pn(n,"reaction-arrow-unbalanced-equilibrium-filled-half-bow")}},"reaction-arrow-unbalanced-equilibrium-open-half-angle":{title:"Arrow Unbalanced Equilibrium Open Half Angle Tool",action:{tool:"reactionarrow",opts:u.mWk.UnbalancedEquilibriumOpenHalfAngle},hidden:function(n){return Pn(n,"reaction-arrow-unbalanced-equilibrium-open-half-angle")}},"reaction-arrow-unbalanced-equilibrium-large-filled-half-bow":{title:"Arrow Unbalanced Equilibrium Large Filled Half Bow Tool",action:{tool:"reactionarrow",opts:u.mWk.UnbalancedEquilibriumLargeFilledHalfBow},hidden:function(n){return Pn(n,"reaction-arrow-unbalanced-equilibrium-large-filled-half-bow")}},"reaction-arrow-unbalanced-equilibrium-filled-half-triangle":{title:"Arrow Unbalanced Equilibrium Filled Half Triangle Tool",action:{tool:"reactionarrow",opts:u.mWk.UnbalancedEquilibriumFilledHalfTriangle},hidden:function(n){return Pn(n,"reaction-arrow-unbalanced-equilibrium-filled-half-triangle")}},"reaction-arrow-elliptical-arc-arrow-filled-bow":{title:"Arrow Elliptical Arc Filled Bow Tool",action:{tool:"reactionarrow",opts:u.mWk.EllipticalArcFilledBow},hidden:function(n){return Pn(n,"reaction-arrow-elliptical-arc-arrow-filled-bow")}},"reaction-arrow-elliptical-arc-arrow-filled-triangle":{title:"Arrow Elliptical Arc Filled Triangle Tool",action:{tool:"reactionarrow",opts:u.mWk.EllipticalArcFilledTriangle},hidden:function(n){return Pn(n,"reaction-arrow-elliptical-arc-arrow-filled-triangle")}},"reaction-arrow-elliptical-arc-arrow-open-angle":{title:"Arrow Elliptical Arc Open Angle Tool",action:{tool:"reactionarrow",opts:u.mWk.EllipticalArcOpenAngle},hidden:function(n){return Pn(n,"reaction-arrow-elliptical-arc-arrow-open-angle")}},"reaction-arrow-elliptical-arc-arrow-open-half-angle":{title:"Arrow Elliptical Arc Open Half Angle Tool",action:{tool:"reactionarrow",opts:u.mWk.EllipticalArcOpenHalfAngle},hidden:function(n){return Pn(n,"reaction-arrow-elliptical-arc-arrow-open-half-angle")}},"reaction-plus":{title:"Reaction Plus Tool",action:{tool:"reactionplus"},hidden:function(n){return Pn(n,"reaction-plus")}},"reaction-mapping-tools":{hidden:function(n){return Pn(n,"reaction-mapping-tools")}},"reaction-map":{title:"Reaction Mapping Tool",action:{tool:"reactionmap"},hidden:function(n){return Pn(n,"reaction-map")}},"reaction-unmap":{title:"Reaction Unmapping Tool",action:{tool:"reactionunmap"},hidden:function(n){return Pn(n,"reaction-unmap")}},rgroup:{hidden:function(n){return Pn(n,"rgroup")}},"rgroup-label":{shortcut:"Mod+r",title:"R-Group Label Tool",action:{tool:"rgroupatom"},hidden:function(n){return Pn(n,"rgroup-label")}},"rgroup-fragment":{shortcut:["Mod+Shift+r","Mod+r"],title:"R-Group Fragment Tool",action:{tool:"rgroupfragment"},hidden:function(n){return Pn(n,"rgroup-fragment")}},"rgroup-attpoints":{shortcut:"Mod+r",title:"Attachment Point Tool",action:{tool:"apoint"},hidden:function(n){return Pn(n,"rgroup-attpoints")}},shapes:{hidden:function(n){return Pn(n,"shapes")}},"shape-ellipse":{title:"Shape Ellipse",action:{tool:"simpleobject",opts:u.gN2.ellipse},hidden:function(n){return Pn(n,"shape-ellipse")}},"shape-rectangle":{title:"Shape Rectangle",action:{tool:"simpleobject",opts:u.gN2.rectangle},hidden:function(n){return Pn(n,"shape-rectangle")}},"shape-line":{title:"Shape Line",action:{tool:"simpleobject",opts:u.gN2.line},hidden:function(n){return Pn(n,"shape-line")}},text:{shortcut:"Alt+t",title:"Add text",action:{tool:"text"},hidden:function(n){return Pn(n,"text")}},bonds:{hidden:function(n){return Pn(n,"bonds")}}},xt={single:"1",double:"2",triple:"3",up:"1",down:"1",updown:"1",crossed:"2",any:"0",aromatic:"4"},Mt=tt.properties.type,Et=Mt.enum.reduce((function(n,e,t){return n["bond-".concat(e)]={title:"".concat(Mt.enumNames[t]," Bond"),shortcut:xt[e],action:{tool:"bond",opts:bt(e)},hidden:function(n){return Pn(n,"bond-".concat(e))}},n}),jt);function At(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Dt(n){for(var e=1;e0&&(t.valence="Structure contains ".concat(r," atom").concat(1!==r?"s":""," with bad valence"))}return t}(o.struct(),n),l=t().options.getServerSettings();return l.data={types:(0,C.without)(["valence","chiral_flag"],n)},Ft(o,i,"check",l).then((function(n){n=Object.assign(n,a),e(function(n){return{type:"UPDATE_FORM",data:{moleculeErrors:n}}}(n))})).catch((function(n){o.errorHandler(n)}))}}function zt(n,e,t){return function(r,o){var i=o(),a=i.options.getServerSettings();a.data=e,r(Ue(!0)),Ft(i.editor,i.server,n,a,t).then((function(e){var t=(new u.F_l).deserialize(e.struct);return r(Lt(t,{rescale:"layout"===n,reactionRelayout:"clean"===n}))})).catch((function(n){i.editor.errorHandler(n)})).finally((function(){r(Ue(!1))}))}}function Ft(n,e,t,r,o){var i=n.selection(),a=[],l=new Map,c=(o||n.struct()).clone(null,null,!1,l);i&&(a=(i.atoms?i.atoms:n.explicitSelected().atoms).map((function(n){return l.get(n)}))),"layout"===t&&function(n){n.frags.forEach((function(n){return n.stereoFlagPosition=void 0}))}(c);var s=new u.F_l;return e.then((function(){return e[t](Object.assign({struct:s.serialize(c)},"calculate"!==t&&"check"!==t?{output_format:u.hxV.KET}:null,a&&a.length>0?{selected:a}:null,r.data),(0,C.omit)("data",r))}))}var Gt={layout:{shortcut:"Mod+l",title:"Layout",action:{thunk:zt("layout")},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"layout")}},clean:{shortcut:"Mod+Shift+l",title:"Clean Up",action:{thunk:zt("clean")},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"clean")}},arom:{shortcut:"Alt+a",title:"Aromatize",action:{thunk:zt("aromatize")},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"arom")}},dearom:{shortcut:"Ctrl+Alt+a",title:"Dearomatize",action:{thunk:zt("dearomatize")},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"dearom")}},cip:{shortcut:"Mod+p",title:"Calculate CIP",action:{thunk:zt("calculateCip")},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"cip")}},check:{shortcut:"Alt+s",title:"Check Structure",action:{dialog:"check"},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"check")}},analyse:{shortcut:"Alt+c",title:"Calculated Values",action:{dialog:"analyse"},disabled:function(n,e,t){return!t.app.server},hidden:function(n){return Pn(n,"analyse")}},recognize:{title:"Recognize Molecule",action:{dialog:"recognize"},disabled:function(n,e,t){var r;return!t.app.server||!(null!==(r=t.app.imagoVersions)&&void 0!==r&&r.length)>0},hidden:function(n){return Pn(n,"recognize")}},miew:{title:"3D Viewer",action:{dialog:"miew"},hidden:function(n){return Pn(n,"miew")}}},Ht=new u.jWx,Zt=["Benzene\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  6  6  0  0  0  0            999 V2000\n    0.6548    2.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0813    2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3694    2.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0813    1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6548    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3712    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0     0  0\n  4  2  2  0     0  0\n  1  5  1  0     0  0\n  2  3  1  0     0  0\n  5  6  2  0     0  0\n  6  4  1  0     0  0\nM  END","Cyclopentadiene\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  5  5  0  0  0  0            999 V2000\n    3.8091    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3091    6.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6181    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3091    6.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5  1  0     0  0\n  2  3  2  0     0  0\n  3  1  1  0     0  0\n  4  2  1  0     0  0\n  5  4  2  0     0  0\nM  END","Cyclohexane\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  6  6  0  0  0  0            999 V2000\n    2.5500    3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5500    2.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4160    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2820    2.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2820    3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4160    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0     0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\nM  END","Cyclopentane\n  Ketcher 11161218352D 1   1.00000     0.00000     0\n\n  5  5  0     0  0            999 V2000\n    0.8090    1.5389    0.0000 C   0  0  0  0  0  0        0  0  0\n    1.6180    0.9511    0.0000 C   0  0  0  0  0  0        0  0  0\n    1.3090    0.0000    0.0000 C   0  0  0  0  0  0        0  0  0\n    0.3090    0.0000    0.0000 C   0  0  0  0  0  0        0  0  0\n    0.0000    0.9511    0.0000 C   0  0  0  0  0  0        0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\nM  END","Cyclopropane\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  3  3  0  0  0  0            999 V2000\n    2.6123    1.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6098    1.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1111    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  3  1  0     0  0\nM  END","Cyclobutane\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  4  4  0  0  0  0            999 V2000\n    3.4956    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4919    2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4846    1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4821    2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  1  3  1  0     0  0\n  2  4  1  0     0  0\n  3  4  1  0     0  0\nM  END","Cycloheptane\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  7  7  0  0  0  0            999 V2000\n   21.4111    6.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1938    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1653    6.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.5987    5.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.4166    5.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1660    4.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1938    4.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  3  4  1  0     0  0\n  4  6  1  0     0  0\n  1  5  1  0     0  0\n  5  7  1  0     0  0\n  6  7  1  0     0  0\nM  END","Cyclooctane\n  Ketcher  5112215552D 1   1.00000     0.00000     0\n\n  8  8  0  0  0  0            999 V2000\n    2.9268    2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9270    3.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6288    3.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6290    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6266    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3286    2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3285    3.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6266    3.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  4  1  0     0  0\n  4  5  1  0     0  0\n  5  6  1  0     0  0\n  6  7  1  0     0  0\n  7  8  1  0     0  0\n  8  3  1  0     0  0\nM  END"].map((function(n){return Ht.deserialize(n)})),Kt={"template-lib":{shortcut:"Shift+t",title:"Structure Library",action:{dialog:"templates",prop:{tab:null}},selected:function(n){return"classic"===n._tool.mode},disabled:function(n,e,t){return!t.app.templates},hidden:function(n){return Pn(n,"template-lib")}}},Ut=Zt.reduce((function(n,e,t){return n["template-".concat(t)]={title:"".concat(e.name),shortcut:"t",action:{tool:"template",opts:{struct:e}}},n}),Kt),Yt=[.2,.3,.4,.5,.6,.7,.8,.9,1,1.1,1.2,1.3,1.4,1.5,1.7,2,2.5,3,3.5,4],Jt={zoom:{shortcut:["Mod+0"],selected:function(n){return n.zoom()},action:function(n){return n.zoom(1)},hidden:function(n){return Pn(n,"zoom")}},"zoom-out":{shortcut:["Ctrl+_","Ctrl+-"],title:"Zoom Out",disabled:function(n){return n.zoom()<=Yt[0]},action:function(n){var e=n.zoom(),t=(0,C.findLastIndex)((function(n){return n<=e}),Yt);n.zoom(Yt[Yt[t]===e&&t>0?t-1:t])},hidden:function(n){return Pn(n,"zoom-out")}},"zoom-in":{shortcut:["Ctrl+=","Ctrl++"],title:"Zoom In",disabled:function(n){return Yt[Yt.length-1]<=n.zoom()},action:function(n){var e=n.zoom(),t=(0,C.findIndex)((function(n){return n>=e}),Yt);n.zoom(Yt[Yt[t]===e&&t0}var rr,or,ir,ar,lr,cr,sr,ur,dr,pr,hr,fr,mr,vr,gr,br,yr,Cr,Or,wr,Sr,jr,xr,Mr,Er,Ar,Dr,Pr,Nr,$r,kr,Ir,Tr,_r,Br,Lr,Vr,Rr,zr,Fr,Gr,Hr,Zr,Kr,Ur,Yr,Jr,qr,Wr,Xr,Qr,no,eo,to,ro,oo,io,ao,lo,co,so,uo,po,ho,fo,mo,vo,go,bo,yo,Co,Oo,wo,So,jo,xo,Mo,Eo,Ao,Do,Po,No,$o,ko,Io,To,_o,Bo,Lo,Vo,Ro,zo,Fo,Go,Ho,Zo,Ko,Uo,Yo,Jo,qo,Wo,Xo,Qo,ni,ei,ti,ri,oi,ii,ai,li,ci,si,ui,di,pi,hi,fi,mi,vi,gi,bi,yi,Ci,Oi,wi,Si,ji,xi,Mi,Ei,Ai,Di,Pi,Ni,$i,ki,Ii,Ti,_i,Bi,Li,Vi,Ri,zi,Fi,Gi,Hi,Zi,Ki,Ui,Yi,Ji,qi,Wi,Xi,Qi,na,ea,ta,ra,oa,ia,aa,la,ca,sa,ua,da,pa,ha,fa,ma,va,ga,ba,ya,Ca,Oa,wa,Sa,ja,xa,Ma,Ea,Aa,Da,Pa,Na,$a,ka,Ia,Ta,_a,Ba,La,Va,Ra,za,Fa,Ga,Ha,Za,Ka,Ua,Ya,Ja,qa,Wa,Xa,Qa,nl,el,tl,rl,ol,il,al,ll,cl,sl,ul,dl,pl,hl,fl,ml,vl,gl,bl,yl,Cl,Ol,wl,Sl,jl,xl,Ml,El,Al,Dl,Pl,Nl,$l,kl,Il,Tl,_l,Bl,Ll,Vl,Rl,zl,Fl,Gl,Hl,Zl,Kl,Ul={Escape:"Esc",Delete:"Del",Mod:w.Q5?"⌘":"Ctrl"};function Yl(n){return n?(Array.isArray(n)?n[0]:n).replace(/(\b[a-z]\b$|Mod|Escape|Delete)/g,(function(n){return Ul[n]||n.toUpperCase()})):""}function Jl(){return Jl=Object.assign?Object.assign.bind():function(n){for(var e=1;e svg {\n    height: 100%;\n    width: 100%;\n  }\n"]))),Fd=function(n){var e=n.struct,t=n.options,r=n.className,i=(0,d.useRef)(null);return(0,d.useEffect)((function(){var n=i.current;if(n){n.innerHTML="";var r=function(n){if(n instanceof u.AUF)return n;try{return(new u.jWx).deserialize(n)}catch(n){throw Error("Could not parse Struct")}}(e);u.NER.render(n,r,t)}}),[e,t]),(0,o.jsx)(zd,{ref:i,className:r})};S.Z.input({border:"none",borderRadius:Bd.border.radius.medium,outline:Bd.border.primary,padding:"4px 8px",caretColor:Bd.color.green,":hover":{outline:Bd.border.medium},":active, :focus,:focus-visible":{outline:Bd.border.secondary},":disabled":{color:"blue",outline:Bd.border.primary,backgroundColor:"#e1e5ea"}}),S.Z.div({overflow:"hidden",display:"flex",flexDirection:"column",flexBasis:"content",height:"100%"}),S.Z.div({backgroundColor:"white",cursor:"pointer","&:hover":{backgroundColor:"#f3f8f9"}}),S.Z.div({overflowX:"hidden",overflowY:"auto",transition:"all .3s"},(function(n){return{maxHeight:n.expanded?"9999px":"0"}}));var Gd=function(n){var e=n.name,t=n.action,i=n.status,a=void 0===i?{}:i,l=n.selected,c=void 0!==l&&l,s=n.disableableButtons,u=n.indigoVerification,d=n.className,p=n.onAction,h=n.dataTestId;if(a.hidden)return null;var f=Yl(null==t?void 0:t.shortcut),m=a.disabled||u&&s.includes(e);return(0,o.jsxs)("button",{"data-testid":h||e,disabled:m,onClick:function(){null!=t&&t.action&&p(t.action)},title:f?"".concat(null==t?void 0:t.title," (").concat(f,")"):null==t?void 0:t.title,className:(0,v.Z)("ActionButton-module_button__nfoWQ",(0,r.Z)({},"ActionButton-module_selected__kPCxA",c),d),children:[(0,o.jsx)(kd,{name:e}),(0,o.jsx)("kbd",{children:f})]})};var Hd=function(n){(0,h.Z)(o,n);var e,t,r=(e=o,t=function(){if("undefined"==typeof Reflect||!Reflect.construct)return!1;if(Reflect.construct.sham)return!1;if("function"==typeof Proxy)return!0;try{return Boolean.prototype.valueOf.call(Reflect.construct(Boolean,[],(function(){}))),!0}catch(n){return!1}}(),function(){var n,r=(0,m.Z)(e);if(t){var o=(0,m.Z)(this).constructor;n=Reflect.construct(r,arguments,o)}else n=r.apply(this,arguments);return(0,f.Z)(this,n)});function o(n){var e;return(0,c.Z)(this,o),(e=r.call(this,n)).element=document.createElement("div"),e.isElementInDom=!1,e}return(0,s.Z)(o,[{key:"componentDidMount",value:function(){!this.isElementInDom&&this.props.isOpen&&this.addElementInDOM();var n=this.props,e=n.className,t=n.style;e&&this.addClassName(e),t&&this.updateStyle(t)}},{key:"componentWillUnmount",value:function(){this.isElementInDom&&this.removeElementFromDOM()}},{key:"componentDidUpdate",value:function(n){var e=this.props,t=e.isOpen,r=e.className,o=e.style;r!==n.className&&(this.removeClassNames(n.className),this.addClassName(r)),o!==n.style&&this.updateStyle(o,n.style),t!==n.isOpen&&(t&&!this.isElementInDom?this.addElementInDOM():this.isElementInDom&&this.removeElementFromDOM())}},{key:"addElementInDOM",value:function(){var n;null===(n=document.querySelector(ie))||void 0===n||n.appendChild(this.element),this.isElementInDom=!0}},{key:"removeElementFromDOM",value:function(){var n;null===(n=document.querySelector(ie))||void 0===n||n.removeChild(this.element),this.isElementInDom=!1}},{key:"removeClassNames",value:function(n){var e=this;n&&n.split(" ").forEach((function(n){e.element.classList.remove(n)}))}},{key:"addClassName",value:function(n){var e=this;n&&n.split(" ").forEach((function(n){e.element.classList.add(n)}))}},{key:"updateStyle",value:function(n,e){var t=this;e&&Object.keys(e).forEach((function(n){t.element.style[n]=""}),this),n&&Object.keys(n).forEach((function(e){t.element.style[e]=n[e]}),this)}},{key:"render",value:function(){var n=this.props.children;return M.createPortal(n,this.element)}}]),o}(d.Component),Zd=function(n){var e=n.options,t=n.status,r=n.disableableButtons,i=n.indigoVerification,a=n.onAction;return(0,o.jsx)(o.Fragment,{children:e.map((function(n){var e=t[n.id],l=Id(n.id);return l&&(0,o.jsx)(Gd,{name:l,action:er[n.id],status:e,selected:!(null==e||!e.selected),disableableButtons:r,indigoVerification:i,onAction:a},n.id)}))})},Kd=function(n){var e=n.groups,t=n.options,r=n.status,i=n.disableableButtons,a=n.indigoVerification,l=n.onAction;return e?(0,o.jsx)(o.Fragment,{children:e.map((function(n){return(0,o.jsx)("div",{className:"GroupedMultiTool-module_group__BJQAU",children:t.slice(n.start,n.end).map((function(n){var e=r[n.id],t=Id(n.id);return t&&(0,o.jsx)(Gd,{name:t,action:er[n.id],status:e,selected:!(null==e||!e.selected),disableableButtons:i,indigoVerification:a,onAction:l},n.id)}))},n.start)}))}):null};function Ud(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Yd(n){for(var e=1;e0&&void 0!==arguments[0]?arguments[0]:"default";switch(n){case"default":return[Zd,"DefaultMultiTool-module_default__zNTMe"];case"grouped":return[Kd];default:throw new Error("Unsupported variant ".concat(n))}}(i),T=(0,x.Z)(I,2),_=T[0],B=T[1],L=Id(S);return E&&L?(0,o.jsxs)("div",{ref:g,className:"ToolbarMultiToolItem-module_root__uTaId",children:[(0,o.jsx)(Gd,Yd(Yd({},k),{},{className:u,name:L,action:er[S],status:M,selected:w,dataTestId:m||L})),!y&&(0,o.jsx)(kd,{className:"".concat("ToolbarMultiToolItem-module_icon__-HQal"," ").concat((null==M?void 0:M.selected)&&"ToolbarMultiToolItem-module_iconSelected__hlO0J"),name:"dropdown",onClick:$}),y?(0,o.jsx)(Hd,{isOpen:y,className:(0,v.Z)("ToolbarMultiToolItem-module_portal__2XJgz",p&&"ToolbarMultiToolItem-module_portal-vertical__A0DVe",B),style:O,children:(0,o.jsx)(_,{options:t,groups:r,status:a,disableableButtons:s,indigoVerification:c,onAction:h})}):null]}):null},qd=function(n){var e=n.id,t=n.options,r=n.status,i=n.className,a=n.opened,l=n.indigoVerification,c=n.disableableButtons,s=n.vertical,u=n.onAction,d=n.onOpen,p=n.dataTestId;if(null==t||!t.length){var h,f=Id(e);return f&&(0,o.jsx)(Gd,{className:i,name:f,action:er[e],status:r[e],selected:!(null===(h=r[e])||void 0===h||!h.selected),indigoVerification:l,disableableButtons:c,onAction:u,dataTestId:p})}return(0,o.jsx)(Jd,{className:i,id:e,options:t,status:r,opened:a,disableableButtons:c,indigoVerification:l,onAction:u,onOpen:d,vertical:s,dataTestId:p})},Wd=function(n){var e=n.active,t=n.disableableButtons,r=n.indigoVerification,i=n.onAction,a=e&&"template"===e.tool,l=function(n,e){return{shortcut:er["template-".concat(e)].shortcut,action:{tool:"template",opts:{struct:n}},title:n.name}};return(0,o.jsx)(o.Fragment,{children:Zt.map((function(n,c){var s=Id("template-".concat(c));return s&&(0,o.jsx)(Gd,{name:s,action:l(n,c),onAction:i,selected:a&&e&&e.opts.struct===n,status:er["template-".concat(c)],disableableButtons:t,indigoVerification:r},s)}))})},Xd=["className"];function Qd(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function np(n){for(var e=1;e1&&void 0!==arguments[1]?arguments[1]:0,r=arguments.length>2&&void 0!==arguments[2]?arguments[2]:[],o=P().debounce(n,t),i=function(n){return(null==n?void 0:n.filter((function(n,e){return!r.includes(e)})))||[]};return function(){for(var n=i(e),t=arguments.length,r=new Array(t),a=0;a1&&"boolean"!=typeof e)throw new eh('"allowMissing" argument must be a boolean');if(null===yh(/^%?[^%]*%?$/,n))throw new Qp("`%` may not be present anywhere but at the beginning and end of the intrinsic name");var t=function(n){var e=bh(n,0,1),t=bh(n,-1);if("%"===e&&"%"!==t)throw new Qp("invalid intrinsic syntax, expected closing `%`");if("%"===t&&"%"!==e)throw new Qp("invalid intrinsic syntax, expected opening `%`");var r=[];return gh(n,Ch,(function(n,e,t,o){r[r.length]=t?gh(o,Oh,"$1"):e||n})),r}(n),r=t.length>0?t[0]:"",o=wh("%"+r+"%",e),i=o.name,a=o.value,l=!1,c=o.alias;c&&(r=c[0],vh(t,mh([0,1],c)));for(var s=1,u=!0;s=t.length){var f=rh(a,d);a=(u=!!f)&&"get"in f&&!("originalValue"in f.get)?f.get:a[d]}else u=Xp(a,d),a=a[d];u&&!l&&(dh[i]=a)}}return a},jh=Sh("%Object.defineProperty%",!0),xh=function(){if(jh)try{return jh({},"a",{value:1}),!0}catch(n){return!1}return!1};xh.hasArrayLengthDefineBug=function(){if(!xh())return null;try{return 1!==jh([],"length",{value:1}).length}catch(n){return!0}};var Mh=xh,Eh=Sh("%Object.getOwnPropertyDescriptor%",!0);if(Eh)try{Eh([],"length")}catch(n){Eh=null}var Ah=Mh,Dh=Eh,Ph=Ah()&&Sh("%Object.defineProperty%",!0);if(Ph)try{Ph({},"a",{value:1})}catch(n){Ph=!1}var Nh=Sh("%SyntaxError%"),$h=Sh("%TypeError%"),kh=function(n,e,t){if(!n||"object"!=typeof n&&"function"!=typeof n)throw new $h("`obj` must be an object or a function`");if("string"!=typeof e&&"symbol"!=typeof e)throw new $h("`property` must be a string or a symbol`");if(arguments.length>3&&"boolean"!=typeof arguments[3]&&null!==arguments[3])throw new $h("`nonEnumerable`, if provided, must be a boolean or null");if(arguments.length>4&&"boolean"!=typeof arguments[4]&&null!==arguments[4])throw new $h("`nonWritable`, if provided, must be a boolean or null");if(arguments.length>5&&"boolean"!=typeof arguments[5]&&null!==arguments[5])throw new $h("`nonConfigurable`, if provided, must be a boolean or null");if(arguments.length>6&&"boolean"!=typeof arguments[6])throw new $h("`loose`, if provided, must be a boolean");var r=arguments.length>3?arguments[3]:null,o=arguments.length>4?arguments[4]:null,i=arguments.length>5?arguments[5]:null,a=arguments.length>6&&arguments[6],l=!!Dh&&Dh(n,e);if(Ph)Ph(n,e,{configurable:null===i&&l?l.configurable:!i,enumerable:null===r&&l?l.enumerable:!r,value:t,writable:null===o&&l?l.writable:!o});else{if(!a&&(r||o||i))throw new Nh("This environment does not support defining a property as non-configurable, non-writable, or non-enumerable.");n[e]=t}},Ih=Ah(),Th=Sh("%TypeError%"),_h=Sh("%Math.floor%"),Bh=function(n,e){if("function"!=typeof n)throw new Th("`fn` is not a function");if("number"!=typeof e||e<0||e>4294967295||_h(e)!==e)throw new Th("`length` must be a positive 32-bit integer");var t=arguments.length>2&&!!arguments[2],r=!0,o=!0;if("length"in n&&Dh){var i=Dh(n,"length");i&&!i.configurable&&(r=!1),i&&!i.writable&&(o=!1)}return(r||o||!t)&&(Ih?kh(n,"length",e,!0,!0):kh(n,"length",e)),n},Lh=Vp((function(n){var e=Sh("%TypeError%"),t=Sh("%Function.prototype.apply%"),r=Sh("%Function.prototype.call%"),o=Sh("%Reflect.apply%",!0)||Jp.call(r,t),i=Sh("%Object.defineProperty%",!0),a=Sh("%Math.max%");if(i)try{i({},"a",{value:1})}catch(n){i=null}n.exports=function(n){if("function"!=typeof n)throw new e("a function is required");var t=o(Jp,r,arguments);return Bh(t,1+a(0,n.length-(arguments.length-1)),!0)};var l=function(){return o(Jp,t,arguments)};i?i(n.exports,"apply",{value:l}):n.exports.apply=l})),Vh=Lh(Sh("String.prototype.indexOf")),Rh=function(n,e){var t=Sh(n,!!e);return"function"==typeof t&&Vh(n,".prototype.")>-1?Lh(t):t},zh=Fp(),Fh=Rh("Object.prototype.toString"),Gh=function(n){return!(zh&&n&&"object"==typeof n&&Symbol.toStringTag in n)&&"[object Arguments]"===Fh(n)},Hh=function(n){return!!Gh(n)||null!==n&&"object"==typeof n&&"number"==typeof n.length&&n.length>=0&&"[object Array]"!==Fh(n)&&"[object Function]"===Fh(n.callee)},Zh=function(){return Gh(arguments)}();Gh.isLegacyArguments=Hh;var Kh,Uh,Yh,Jh=Zh?Gh:Hh,qh=Object.prototype.toString,Wh=Function.prototype.toString,Xh=/^\s*(?:function)?\*/,Qh=Fp(),nf=Object.getPrototypeOf,ef=function(n){if("function"!=typeof n)return!1;if(Xh.test(Wh.call(n)))return!0;if(!Qh)return"[object GeneratorFunction]"===qh.call(n);if(!nf)return!1;if(void 0===Kh){var e=function(){if(!Qh)return!1;try{return Function("return function*() {}")()}catch(n){}}();Kh=!!e&&nf(e)}return nf(n)===Kh},tf=Function.prototype.toString,rf="object"==typeof Reflect&&null!==Reflect&&Reflect.apply;if("function"==typeof rf&&"function"==typeof Object.defineProperty)try{Uh=Object.defineProperty({},"length",{get:function(){throw Yh}}),Yh={},rf((function(){throw 42}),null,Uh)}catch(n){n!==Yh&&(rf=null)}else rf=null;var of=/^\s*class\b/,af=function(n){try{var e=tf.call(n);return of.test(e)}catch(n){return!1}},lf=function(n){try{return!af(n)&&(tf.call(n),!0)}catch(n){return!1}},cf=Object.prototype.toString,sf="function"==typeof Symbol&&!!Symbol.toStringTag,uf=!(0 in[,]),df=function(){return!1};if("object"==typeof document){var pf=document.all;cf.call(pf)===cf.call(document.all)&&(df=function(n){if((uf||!n)&&(void 0===n||"object"==typeof n))try{var e=cf.call(n);return("[object HTMLAllCollection]"===e||"[object HTML document.all class]"===e||"[object HTMLCollection]"===e||"[object Object]"===e)&&null==n("")}catch(n){}return!1})}var hf=rf?function(n){if(df(n))return!0;if(!n)return!1;if("function"!=typeof n&&"object"!=typeof n)return!1;try{rf(n,null,Uh)}catch(n){if(n!==Yh)return!1}return!af(n)&&lf(n)}:function(n){if(df(n))return!0;if(!n)return!1;if("function"!=typeof n&&"object"!=typeof n)return!1;if(sf)return lf(n);if(af(n))return!1;var e=cf.call(n);return!("[object Function]"!==e&&"[object GeneratorFunction]"!==e&&!/^\[object HTML/.test(e))&&lf(n)},ff=Object.prototype.toString,mf=Object.prototype.hasOwnProperty,vf=function(n,e,t){if(!hf(e))throw new TypeError("iterator must be a function");var r;arguments.length>=3&&(r=t),"[object Array]"===ff.call(n)?function(n,e,t){for(var r=0,o=n.length;r-1?e:"Object"===e&&function(n){var e=!1;return vf(Mf,(function(t,r){if(!e)try{t(n),e=Sf(r,1)}catch(n){}})),e}(n)}return Dh?function(n){var e=!1;return vf(Mf,(function(t,r){if(!e)try{"$"+t(n)===r&&(e=Sf(r,1))}catch(n){}})),e}(n):null},Af=function(n){return!!Ef(n)},Df=Vp((function(n,e){function t(n){return n.call.bind(n)}var r="undefined"!=typeof BigInt,o="undefined"!=typeof Symbol,i=t(Object.prototype.toString),a=t(Number.prototype.valueOf),l=t(String.prototype.valueOf),c=t(Boolean.prototype.valueOf);if(r)var s=t(BigInt.prototype.valueOf);if(o)var u=t(Symbol.prototype.valueOf);function d(n,e){if("object"!=typeof n)return!1;try{return e(n),!0}catch(n){return!1}}function p(n){return"[object Map]"===i(n)}function h(n){return"[object Set]"===i(n)}function f(n){return"[object WeakMap]"===i(n)}function m(n){return"[object WeakSet]"===i(n)}function v(n){return"[object ArrayBuffer]"===i(n)}function g(n){return"undefined"!=typeof ArrayBuffer&&(v.working?v(n):n instanceof ArrayBuffer)}function b(n){return"[object DataView]"===i(n)}function y(n){return"undefined"!=typeof DataView&&(b.working?b(n):n instanceof DataView)}e.isArgumentsObject=Jh,e.isGeneratorFunction=ef,e.isTypedArray=Af,e.isPromise=function(n){return"undefined"!=typeof Promise&&n instanceof Promise||null!==n&&"object"==typeof n&&"function"==typeof n.then&&"function"==typeof n.catch},e.isArrayBufferView=function(n){return"undefined"!=typeof ArrayBuffer&&ArrayBuffer.isView?ArrayBuffer.isView(n):Af(n)||y(n)},e.isUint8Array=function(n){return"Uint8Array"===Ef(n)},e.isUint8ClampedArray=function(n){return"Uint8ClampedArray"===Ef(n)},e.isUint16Array=function(n){return"Uint16Array"===Ef(n)},e.isUint32Array=function(n){return"Uint32Array"===Ef(n)},e.isInt8Array=function(n){return"Int8Array"===Ef(n)},e.isInt16Array=function(n){return"Int16Array"===Ef(n)},e.isInt32Array=function(n){return"Int32Array"===Ef(n)},e.isFloat32Array=function(n){return"Float32Array"===Ef(n)},e.isFloat64Array=function(n){return"Float64Array"===Ef(n)},e.isBigInt64Array=function(n){return"BigInt64Array"===Ef(n)},e.isBigUint64Array=function(n){return"BigUint64Array"===Ef(n)},p.working="undefined"!=typeof Map&&p(new Map),e.isMap=function(n){return"undefined"!=typeof Map&&(p.working?p(n):n instanceof Map)},h.working="undefined"!=typeof Set&&h(new Set),e.isSet=function(n){return"undefined"!=typeof Set&&(h.working?h(n):n instanceof Set)},f.working="undefined"!=typeof WeakMap&&f(new WeakMap),e.isWeakMap=function(n){return"undefined"!=typeof WeakMap&&(f.working?f(n):n instanceof WeakMap)},m.working="undefined"!=typeof WeakSet&&m(new WeakSet),e.isWeakSet=function(n){return m(n)},v.working="undefined"!=typeof ArrayBuffer&&v(new ArrayBuffer),e.isArrayBuffer=g,b.working="undefined"!=typeof ArrayBuffer&&"undefined"!=typeof DataView&&b(new DataView(new ArrayBuffer(1),0,1)),e.isDataView=y;var C="undefined"!=typeof SharedArrayBuffer?SharedArrayBuffer:void 0;function O(n){return"[object SharedArrayBuffer]"===i(n)}function w(n){return void 0!==C&&(void 0===O.working&&(O.working=O(new C)),O.working?O(n):n instanceof C)}function S(n){return d(n,a)}function j(n){return d(n,l)}function x(n){return d(n,c)}function M(n){return r&&d(n,s)}function E(n){return o&&d(n,u)}e.isSharedArrayBuffer=w,e.isAsyncFunction=function(n){return"[object AsyncFunction]"===i(n)},e.isMapIterator=function(n){return"[object Map Iterator]"===i(n)},e.isSetIterator=function(n){return"[object Set Iterator]"===i(n)},e.isGeneratorObject=function(n){return"[object Generator]"===i(n)},e.isWebAssemblyCompiledModule=function(n){return"[object WebAssembly.Module]"===i(n)},e.isNumberObject=S,e.isStringObject=j,e.isBooleanObject=x,e.isBigIntObject=M,e.isSymbolObject=E,e.isBoxedPrimitive=function(n){return S(n)||j(n)||x(n)||M(n)||E(n)},e.isAnyArrayBuffer=function(n){return"undefined"!=typeof Uint8Array&&(g(n)||w(n))},["isProxy","isExternal","isModuleNamespaceObject"].forEach((function(n){Object.defineProperty(e,n,{enumerable:!1,value:function(){throw new Error(n+" is not supported in userland")}})}))})),Pf=function(n){return n instanceof Buffer},Nf=Vp((function(n){"function"==typeof Object.create?n.exports=function(n,e){e&&(n.super_=e,n.prototype=Object.create(e.prototype,{constructor:{value:n,enumerable:!1,writable:!0,configurable:!0}}))}:n.exports=function(n,e){if(e){n.super_=e;var t=function(){};t.prototype=e.prototype,n.prototype=new t,n.prototype.constructor=n}}})),$f=Vp((function(n){try{var e=$();if("function"!=typeof e.inherits)throw"";n.exports=e.inherits}catch(e){n.exports=Nf}})),kf=Vp((function(n,e){var t=Object.getOwnPropertyDescriptors||function(n){for(var e=Object.keys(n),t={},r=0;r=i)return n;switch(n){case"%s":return String(o[t++]);case"%d":return Number(o[t++]);case"%j":try{return JSON.stringify(o[t++])}catch(n){return"[Circular]"}default:return n}})),c=o[t];t=3&&(r.depth=arguments[2]),arguments.length>=4&&(r.colors=arguments[3]),f(t)?r.showHidden=t:t&&e._extend(r,t),b(r.showHidden)&&(r.showHidden=!1),b(r.depth)&&(r.depth=2),b(r.colors)&&(r.colors=!1),b(r.customInspect)&&(r.customInspect=!0),r.colors&&(r.stylize=c),u(r,n,r.depth)}function c(n,e){var t=l.styles[e];return t?"["+l.colors[t][0]+"m"+n+"["+l.colors[t][1]+"m":n}function s(n,e){return n}function u(n,t,r){if(n.customInspect&&t&&S(t.inspect)&&t.inspect!==e.inspect&&(!t.constructor||t.constructor.prototype!==t)){var o=t.inspect(r,n);return g(o)||(o=u(n,o,r)),o}var i=function(n,e){if(b(e))return n.stylize("undefined","undefined");if(g(e)){var t="'"+JSON.stringify(e).replace(/^"|"$/g,"").replace(/'/g,"\\'").replace(/\\"/g,'"')+"'";return n.stylize(t,"string")}return v(e)?n.stylize(""+e,"number"):f(e)?n.stylize(""+e,"boolean"):m(e)?n.stylize("null","null"):void 0}(n,t);if(i)return i;var a=Object.keys(t),l=function(n){var e={};return n.forEach((function(n,t){e[n]=!0})),e}(a);if(n.showHidden&&(a=Object.getOwnPropertyNames(t)),w(t)&&(a.indexOf("message")>=0||a.indexOf("description")>=0))return d(t);if(0===a.length){if(S(t)){var c=t.name?": "+t.name:"";return n.stylize("[Function"+c+"]","special")}if(y(t))return n.stylize(RegExp.prototype.toString.call(t),"regexp");if(O(t))return n.stylize(Date.prototype.toString.call(t),"date");if(w(t))return d(t)}var s,C="",j=!1,x=["{","}"];return h(t)&&(j=!0,x=["[","]"]),S(t)&&(C=" [Function"+(t.name?": "+t.name:"")+"]"),y(t)&&(C=" "+RegExp.prototype.toString.call(t)),O(t)&&(C=" "+Date.prototype.toUTCString.call(t)),w(t)&&(C=" "+d(t)),0!==a.length||j&&0!=t.length?r<0?y(t)?n.stylize(RegExp.prototype.toString.call(t),"regexp"):n.stylize("[Object]","special"):(n.seen.push(t),s=j?function(n,e,t,r,o){for(var i=[],a=0,l=e.length;a60?t[0]+(""===e?"":e+"\n ")+" "+n.join(",\n  ")+" "+t[1]:t[0]+e+" "+n.join(", ")+" "+t[1]}(s,C,x)):x[0]+C+x[1]}function d(n){return"["+Error.prototype.toString.call(n)+"]"}function p(n,e,t,r,o,i){var a,l,c;if((c=Object.getOwnPropertyDescriptor(e,o)||{value:e[o]}).get?l=c.set?n.stylize("[Getter/Setter]","special"):n.stylize("[Getter]","special"):c.set&&(l=n.stylize("[Setter]","special")),E(r,o)||(a="["+o+"]"),l||(n.seen.indexOf(c.value)<0?(l=m(t)?u(n,c.value,null):u(n,c.value,t-1)).indexOf("\n")>-1&&(l=i?l.split("\n").map((function(n){return"  "+n})).join("\n").slice(2):"\n"+l.split("\n").map((function(n){return"   "+n})).join("\n")):l=n.stylize("[Circular]","special")),b(a)){if(i&&o.match(/^\d+$/))return l;(a=JSON.stringify(""+o)).match(/^"([a-zA-Z_][a-zA-Z_0-9]*)"$/)?(a=a.slice(1,-1),a=n.stylize(a,"name")):(a=a.replace(/'/g,"\\'").replace(/\\"/g,'"').replace(/(^"|"$)/g,"'"),a=n.stylize(a,"string"))}return a+": "+l}function h(n){return Array.isArray(n)}function f(n){return"boolean"==typeof n}function m(n){return null===n}function v(n){return"number"==typeof n}function g(n){return"string"==typeof n}function b(n){return void 0===n}function y(n){return C(n)&&"[object RegExp]"===j(n)}function C(n){return"object"==typeof n&&null!==n}function O(n){return C(n)&&"[object Date]"===j(n)}function w(n){return C(n)&&("[object Error]"===j(n)||n instanceof Error)}function S(n){return"function"==typeof n}function j(n){return Object.prototype.toString.call(n)}function x(n){return n<10?"0"+n.toString(10):n.toString(10)}e.debuglog=function(n){if(n=n.toUpperCase(),!o[n])if(i.test(n)){var t={env:{}}.pid;o[n]=function(){var r=e.format.apply(e,arguments);console.error("%s %d: %s",n,t,r)}}else o[n]=function(){};return o[n]},e.inspect=l,l.colors={bold:[1,22],italic:[3,23],underline:[4,24],inverse:[7,27],white:[37,39],grey:[90,39],black:[30,39],blue:[34,39],cyan:[36,39],green:[32,39],magenta:[35,39],red:[31,39],yellow:[33,39]},l.styles={special:"cyan",number:"yellow",boolean:"yellow",undefined:"grey",null:"bold",string:"green",date:"magenta",regexp:"red"},e.types=Df,e.isArray=h,e.isBoolean=f,e.isNull=m,e.isNullOrUndefined=function(n){return null==n},e.isNumber=v,e.isString=g,e.isSymbol=function(n){return"symbol"==typeof n},e.isUndefined=b,e.isRegExp=y,e.types.isRegExp=y,e.isObject=C,e.isDate=O,e.types.isDate=O,e.isError=w,e.types.isNativeError=w,e.isFunction=S,e.isPrimitive=function(n){return null===n||"boolean"==typeof n||"number"==typeof n||"string"==typeof n||"symbol"==typeof n||void 0===n},e.isBuffer=Pf;var M=["Jan","Feb","Mar","Apr","May","Jun","Jul","Aug","Sep","Oct","Nov","Dec"];function E(n,e){return Object.prototype.hasOwnProperty.call(n,e)}e.log=function(){var n,t;console.log("%s - %s",(t=[x((n=new Date).getHours()),x(n.getMinutes()),x(n.getSeconds())].join(":"),[n.getDate(),M[n.getMonth()],t].join(" ")),e.format.apply(e,arguments))},e.inherits=$f,e._extend=function(n,e){if(!e||!C(e))return n;for(var t=Object.keys(e),r=t.length;r--;)n[t[r]]=e[t[r]];return n};var A="undefined"!=typeof Symbol?Symbol("util.promisify.custom"):void 0;function D(n,e){if(!n){var t=new Error("Promise was rejected with a falsy value");t.reason=n,n=t}return e(n)}e.promisify=function(n){if("function"!=typeof n)throw new TypeError('The "original" argument must be of type Function');if(A&&n[A]){var e;if("function"!=typeof(e=n[A]))throw new TypeError('The "util.promisify.custom" argument must be of type Function');return Object.defineProperty(e,A,{value:e,enumerable:!1,writable:!1,configurable:!0}),e}function e(){for(var e,t,r=new Promise((function(n,r){e=n,t=r})),o=[],i=0;i2?"one of ".concat(e," ").concat(n.slice(0,t-1).join(", "),", or ")+n[t-1]:2===t?"one of ".concat(e," ").concat(n[0]," or ").concat(n[1]):"of ".concat(e," ").concat(n[0])}return"of ".concat(e," ").concat(String(n))}zf("ERR_AMBIGUOUS_ARGUMENT",'The "%s" argument is ambiguous. %s',TypeError),zf("ERR_INVALID_ARG_TYPE",(function(n,e,t){var r,o,i,a,l;if(void 0===Lf&&(Lf=If),Lf("string"==typeof n,"'name' must be a string"),"string"==typeof e&&(o="not ",e.substr(0,4)===o)?(r="must not be",e=e.replace(/^not /,"")):r="must be",function(n,e,t){return(void 0===t||t>n.length)&&(t=n.length),n.substring(t-9,t)===e}(n," argument"))i="The ".concat(n," ").concat(r," ").concat(Ff(e,"type"));else{var c=("number"!=typeof l&&(l=0),l+1>(a=n).length||-1===a.indexOf(".",l)?"argument":"property");i='The "'.concat(n,'" ').concat(c," ").concat(r," ").concat(Ff(e,"type"))}return i+". Received type ".concat(Tf(t))}),TypeError),zf("ERR_INVALID_ARG_VALUE",(function(n,e){var t=arguments.length>2&&void 0!==arguments[2]?arguments[2]:"is invalid";void 0===Vf&&(Vf=kf);var r=Vf.inspect(e);return r.length>128&&(r="".concat(r.slice(0,128),"...")),"The argument '".concat(n,"' ").concat(t,". Received ").concat(r)}),TypeError),zf("ERR_INVALID_RETURN_VALUE",(function(n,e,t){var r;return r=t&&t.constructor&&t.constructor.name?"instance of ".concat(t.constructor.name):"type ".concat(Tf(t)),"Expected ".concat(n,' to be returned from the "').concat(e,'"')+" function but got ".concat(r,".")}),TypeError),zf("ERR_MISSING_ARGS",(function(){for(var n=arguments.length,e=new Array(n),t=0;t0,"At least one arg needs to be specified");var r="The ",o=e.length;switch(e=e.map((function(n){return'"'.concat(n,'"')})),o){case 1:r+="".concat(e[0]," argument");break;case 2:r+="".concat(e[0]," and ").concat(e[1]," arguments");break;default:r+=e.slice(0,o-1).join(", "),r+=", and ".concat(e[o-1]," arguments")}return"".concat(r," must be specified")}),TypeError);var Gf={codes:Rf};function Hf(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Zf(n){for(var e=1;en.length)&&(t=n.length),n.substring(t-e.length,t)===e}var im="",am="",lm="",cm="",sm={deepStrictEqual:"Expected values to be strictly deep-equal:",strictEqual:"Expected values to be strictly equal:",strictEqualObject:'Expected "actual" to be reference-equal to "expected":',deepEqual:"Expected values to be loosely deep-equal:",equal:"Expected values to be loosely equal:",notDeepStrictEqual:'Expected "actual" not to be strictly deep-equal to:',notStrictEqual:'Expected "actual" to be strictly unequal to:',notStrictEqualObject:'Expected "actual" not to be reference-equal to "expected":',notDeepEqual:'Expected "actual" not to be loosely deep-equal to:',notEqual:'Expected "actual" to be loosely unequal to:',notIdentical:"Values identical but not reference-equal:"};function um(n){var e=Object.keys(n),t=Object.create(Object.getPrototypeOf(n));return e.forEach((function(e){t[e]=n[e]})),Object.defineProperty(t,"message",{value:n.message}),t}function dm(n){return tm(n,{compact:!1,customInspect:!1,depth:1e3,maxArrayLength:1/0,showHidden:!1,breakLength:1/0,showProxy:!1,sorted:!0,getters:!0})}var pm,hm=function(n,e){!function(n,e){if("function"!=typeof e&&null!==e)throw new TypeError("Super expression must either be null or a function");n.prototype=Object.create(e&&e.prototype,{constructor:{value:n,writable:!0,configurable:!0}}),Object.defineProperty(n,"prototype",{writable:!1}),e&&Qf(n,e)}(l,n);var t,r,o,i,a=(t=l,r=Xf(),function(){var n,e=nm(t);if(r){var o=nm(this).constructor;n=Reflect.construct(e,arguments,o)}else n=e.apply(this,arguments);return Yf(this,n)});function l(n){var e;if(function(n,e){if(!(n instanceof e))throw new TypeError("Cannot call a class as a function")}(this,l),"object"!==em(n)||null===n)throw new rm("options","Object",n);var t=n.message,r=n.operator,o=n.stackStartFn,i=n.actual,c=n.expected,s=Error.stackTraceLimit;if(Error.stackTraceLimit=0,null!=t)e=a.call(this,String(t));else if({env:{}}.stderr&&{env:{}}.stderr.isTTY&&({env:{}}.stderr&&{env:{}}.stderr.getColorDepth&&1!=={env:{}}.stderr.getColorDepth()?(im="",am="",cm="",lm=""):(im="",am="",cm="",lm="")),"object"===em(i)&&null!==i&&"object"===em(c)&&null!==c&&"stack"in i&&i instanceof Error&&"stack"in c&&c instanceof Error&&(i=um(i),c=um(c)),"deepStrictEqual"===r||"strictEqual"===r)e=a.call(this,function(n,e,t){var r="",o="",i=0,a="",l=!1,c=dm(n),s=c.split("\n"),u=dm(e).split("\n"),d=0,p="";if("strictEqual"===t&&"object"===em(n)&&"object"===em(e)&&null!==n&&null!==e&&(t="strictEqualObject"),1===s.length&&1===u.length&&s[0]!==u[0]){var h=s[0].length+u[0].length;if(h<=10){if(!("object"===em(n)&&null!==n||"object"===em(e)&&null!==e||0===n&&0===e))return"".concat(sm[t],"\n\n")+"".concat(s[0]," !== ").concat(u[0],"\n")}else if("strictEqualObject"!==t&&h<({env:{}}.stderr&&{env:{}}.stderr.isTTY?{env:{}}.stderr.columns:80)){for(;s[0][d]===u[0][d];)d++;d>2&&(p="\n  ".concat(function(n,e){if(e=Math.floor(e),0==n.length||0==e)return"";var t=n.length*e;for(e=Math.floor(Math.log(e)/Math.log(2));e;)n+=n,e--;return n+n.substring(0,t-n.length)}(" ",d),"^"),d=0)}}for(var f=s[s.length-1],m=u[u.length-1];f===m&&(d++<2?a="\n  ".concat(f).concat(a):r=f,s.pop(),u.pop(),0!==s.length&&0!==u.length);)f=s[s.length-1],m=u[u.length-1];var v=Math.max(s.length,u.length);if(0===v){var g=c.split("\n");if(g.length>30)for(g[26]="".concat(im,"...").concat(cm);g.length>27;)g.pop();return"".concat(sm.notIdentical,"\n\n").concat(g.join("\n"),"\n")}d>3&&(a="\n".concat(im,"...").concat(cm).concat(a),l=!0),""!==r&&(a="\n  ".concat(r).concat(a),r="");var b=0,y=sm[t]+"\n".concat(am,"+ actual").concat(cm," ").concat(lm,"- expected").concat(cm),C=" ".concat(im,"...").concat(cm," Lines skipped");for(d=0;d1&&d>2&&(O>4?(o+="\n".concat(im,"...").concat(cm),l=!0):O>3&&(o+="\n  ".concat(u[d-2]),b++),o+="\n  ".concat(u[d-1]),b++),i=d,r+="\n".concat(lm,"-").concat(cm," ").concat(u[d]),b++;else if(u.length1&&d>2&&(O>4?(o+="\n".concat(im,"...").concat(cm),l=!0):O>3&&(o+="\n  ".concat(s[d-2]),b++),o+="\n  ".concat(s[d-1]),b++),i=d,o+="\n".concat(am,"+").concat(cm," ").concat(s[d]),b++;else{var w=u[d],S=s[d],j=S!==w&&(!om(S,",")||S.slice(0,-1)!==w);j&&om(w,",")&&w.slice(0,-1)===S&&(j=!1,S+=","),j?(O>1&&d>2&&(O>4?(o+="\n".concat(im,"...").concat(cm),l=!0):O>3&&(o+="\n  ".concat(s[d-2]),b++),o+="\n  ".concat(s[d-1]),b++),i=d,o+="\n".concat(am,"+").concat(cm," ").concat(S),r+="\n".concat(lm,"-").concat(cm," ").concat(w),b+=2):(o+=r,r="",1!==O&&0!==d||(o+="\n  ".concat(S),b++))}if(b>20&&d30)for(d[26]="".concat(im,"...").concat(cm);d.length>27;)d.pop();e=1===d.length?a.call(this,"".concat(u," ").concat(d[0])):a.call(this,"".concat(u,"\n\n").concat(d.join("\n"),"\n"))}else{var p=dm(i),h="",f=sm[r];"notDeepEqual"===r||"notEqual"===r?(p="".concat(sm[r],"\n\n").concat(p)).length>1024&&(p="".concat(p.slice(0,1021),"...")):(h="".concat(dm(c)),p.length>512&&(p="".concat(p.slice(0,509),"...")),h.length>512&&(h="".concat(h.slice(0,509),"...")),"deepEqual"===r||"equal"===r?p="".concat(f,"\n\n").concat(p,"\n\nshould equal\n\n"):h=" ".concat(r," ").concat(h)),e=a.call(this,"".concat(p).concat(h))}return Error.stackTraceLimit=s,e.generatedMessage=!t,Object.defineProperty(Jf(e),"name",{value:"AssertionError [ERR_ASSERTION]",enumerable:!1,writable:!0,configurable:!0}),e.code="ERR_ASSERTION",e.actual=i,e.expected=c,e.operator=r,Error.captureStackTrace&&Error.captureStackTrace(Jf(e),o),e.stack,e.name="AssertionError",Yf(e)}return o=l,(i=[{key:"toString",value:function(){return"".concat(this.name," [").concat(this.code,"]: ").concat(this.message)}},{key:e,value:function(n,e){return tm(this,Zf(Zf({},e),{},{customInspect:!1,depth:0}))}}])&&Kf(o.prototype,i),Object.defineProperty(o,"prototype",{writable:!1}),l}(qf(Error),tm.custom),fm=hm,mm=Object.prototype.toString,vm=function(n){var e=mm.call(n),t="[object Arguments]"===e;return t||(t="[object Array]"!==e&&null!==n&&"object"==typeof n&&"number"==typeof n.length&&n.length>=0&&"[object Function]"===mm.call(n.callee)),t};if(!Object.keys){var gm=Object.prototype.hasOwnProperty,bm=Object.prototype.toString,ym=vm,Cm=Object.prototype.propertyIsEnumerable,Om=!Cm.call({toString:null},"toString"),wm=Cm.call((function(){}),"prototype"),Sm=["toString","toLocaleString","valueOf","hasOwnProperty","isPrototypeOf","propertyIsEnumerable","constructor"],jm=function(n){var e=n.constructor;return e&&e.prototype===n},xm={$applicationCache:!0,$console:!0,$external:!0,$frame:!0,$frameElement:!0,$frames:!0,$innerHeight:!0,$innerWidth:!0,$onmozfullscreenchange:!0,$onmozfullscreenerror:!0,$outerHeight:!0,$outerWidth:!0,$pageXOffset:!0,$pageYOffset:!0,$parent:!0,$scrollLeft:!0,$scrollTop:!0,$scrollX:!0,$scrollY:!0,$self:!0,$webkitIndexedDB:!0,$webkitStorageInfo:!0,$window:!0},Mm=function(){if("undefined"==typeof window)return!1;for(var n in window)try{if(!xm["$"+n]&&gm.call(window,n)&&null!==window[n]&&"object"==typeof window[n])try{jm(window[n])}catch(n){return!0}}catch(n){return!0}return!1}();pm=function(n){var e=null!==n&&"object"==typeof n,t="[object Function]"===bm.call(n),r=ym(n),o=e&&"[object String]"===bm.call(n),i=[];if(!e&&!t&&!r)throw new TypeError("Object.keys called on a non-object");var a=wm&&t;if(o&&n.length>0&&!gm.call(n,0))for(var l=0;l0)for(var c=0;c2?arguments[2]:{},r=$m(e);Fm&&(r=Hm.call(r,Object.getOwnPropertySymbols(e)));for(var o=0;on.length)&&(e=n.length);for(var t=0,r=new Array(e);t10)return!0;for(var e=0;e57)return!0}return 10===n.length&&n>=Math.pow(2,32)}function Nv(n){return Object.keys(n).filter(Pv).concat(cv(n).filter(Object.prototype.propertyIsEnumerable.bind(n)))}function $v(n,e){if(n===e)return 0;for(var t=n.length,r=e.length,o=0,i=Math.min(t,r);o1?t-1:0),o=1;o1?t-1:0),o=1;o1?t-1:0),o=1;o1?t-1:0),o=1;o0&&void 0!==arguments[0]?arguments[0]:wp,e=arguments.length>1?arguments[1]:void 0;return e.type===Sp?Op(Op({},n),{},{cursorPosition:{x:e.data.x,y:e.data.y}}):n},actionState:function(){var n,e=arguments.length>0&&void 0!==arguments[0]?arguments[0]:null,t=arguments.length>1?arguments[1]:void 0,r=t.type,o=t.action,i=(0,p.Z)(t,jp);switch(r){case"INIT":o=Pt.selectionTool||er["select-rectangle"].action;case"ACTION":n=function(n,e){var t=e.action,r=e.editor,o=e.server,i=e.options;if(t.tool){if(r.tool(t.tool,t.opts))return t}else"function"==typeof t&&t(r,o,i);return n}(e&&e.activeTool,Mp(Mp({},i),{},{action:o})),"select"===n.tool&&(Pt.selectionTool=n);case"UPDATE":return Object.keys(er).reduce((function(n,e){var t=function(n,e,t){var r=er[n];return(0,C.pickBy)((function(n){return n}),{selected:Ep(r,e,t),disabled:Ap(r,t),hidden:Dp(r,t)})}(e,n.activeTool,i);return(0,C.isEmpty)(t)||(n[e]=t),n}),{activeTool:n||e.activeTool});default:return e}},toolbar:function(){var n,e,t,r=arguments.length>0&&void 0!==arguments[0]?arguments[0]:ag,o=arguments.length>1?arguments[1]:void 0,i=o.type,a=o.data;switch(i){case"ACTION":var l=lg(o.action);return ig(ig({},r),{},l?{opened:null,visibleTools:ig(ig({},r.visibleTools),l)}:{opened:null});case"ADD_ATOMS":var c=(n=a,e=r.freqAtoms,t=r.currentAtom,n=(0,C.capitalize)(n),xn.indexOf(n)>-1||-1!==e.indexOf(n)?{freqAtoms:e}:(e[t]=n,{freqAtoms:e,currentAtom:t=(t+1)%7}));return ig(ig({},r),c);case"CLEAR_VISIBLE":var s=lg(o.data),u=function(n,e){var t=/(bond)(-)(common|stereo|query)/,r=window.innerHeight;return Object.keys(n).reduce((function(e,o){return"bond"===o&&r>700||"transform"===o&&r>800||"rgroup"===o&&r>850||"shape"===o&&r>900||(!o.match(t)||r>700)&&(e[o]=n[o]),e}),ig({},e))}(r.visibleTools,s);return ig(ig({},r),{},{opened:null,visibleTools:ig({},u)});case"OPENED":return a.isSelected&&r.opened?ig(ig({},r),{},{opened:null}):ig(ig({},r),{},{opened:a.menuName});case"UPDATE":case"MODAL_OPEN":return ig(ig({},r),{},{opened:null});default:return r}},modal:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:null,e=arguments.length>1?arguments[1]:void 0,t=e.type,r=e.data;if("UPDATE_FORM"===t){if(!n)return null;var o=Fe(n.form,e);return rp(rp({},n),{},{form:o})}switch(t){case"MODAL_CLOSE":return null;case"MODAL_OPEN":return{name:r.name,form:Re[r.name]||null,prop:r.prop||null};default:return n}},abbreviationLookup:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:hp,e=arguments.length>1?arguments[1]:void 0;switch(e.type){case fp:return{isOpen:!1,lookupValue:e.data};case mp:return{isOpen:!0,lookupValue:"".concat(n.lookupValue).concat(e.data)};case vp:return{isOpen:!1,lookupValue:void 0};default:return n}},server:function(){return arguments.length>0&&void 0!==arguments[0]?arguments[0]:null},editor:function(){return arguments.length>0&&void 0!==arguments[0]?arguments[0]:null},options:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:{},e=arguments.length>1?arguments[1]:void 0,t=e.type,r=e.data;return"APP_OPTIONS"===t?be(be({},n),{},{app:be(be({},n.app),r)}):"SAVE_SETTINGS"===t?be(be({},n),{},{settings:be(be({},n.settings),r)}):"SAVE_CHECK_OPTS"===t?be(be({},n),{},{check:r}):"CHANGE_ANALYSE"===t?be(be({},n),{},{analyse:be(be(be({},n.analyse),r),{},{loading:!1})}):"ANALYSE_LOADING"===t?be(be({},n),{},{analyse:be(be({},n.analyse),{},{loading:!0})}):we.includes(t)?be(be({},n),{},{recognize:be(be({},n.recognize),r)}):n},templates:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:up,e=arguments.length>1?arguments[1]:void 0;if(dp.includes(e.type))return Object.assign({},n,e.data);if(pp.includes(e.type)){var t=Object.assign({},n.attach,e.data);return ap(ap({},n),{},{attach:t})}if("TMPL_DELETE"===e.type){var r=Object.assign({},n),o=r.lib.filter((function(n){return n!==e.data.tmpl}));return ap(ap({},r),{},{lib:o})}return n},functionalGroups:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:Qv,e=arguments.length>1?arguments[1]:void 0,t=e.type,r=e.payload;switch(t){case"FG_INIT":return Xv(Xv({},n),r);case"FG_HIGHLIGHT":return Xv(Xv({},n),{},{functionalGroupInfo:r});default:return n}},saltsAndSolvents:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:rg,e=arguments.length>1?arguments[1]:void 0,t=e.type,r=e.payload;return"SALTS_AND_SOLVENTS_INIT"===t?tg(tg({},n),r):n},requestsStatuses:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:Je,e=arguments.length>1?arguments[1]:void 0,t=e.type,r=e.data;switch(t){case Ge:return Ke(Ke({},n),{},{indigoVerification:r});case He:return Ke(Ke({},n),{},{isAnalyzingFile:r});default:return n}},floatingTools:function(){var n=arguments.length>0&&void 0!==arguments[0]?arguments[0]:ug,e=arguments.length>1?arguments[1]:void 0,t=e.type,r=e.payload;return"UPDATE_FLOATING_TOOLS"===t?sg(sg({},n),r):n}});var vg=[],gg=(0,E.$j)((function(n){return{active:n.actionState&&n.actionState.activeTool,status:n.actionState||{},opened:n.toolbar.opened,indigoVerification:n.requestsStatuses.indigoVerification,disableableButtons:vg}}),(function(n){return{onAction:function(e){return n(Tt(e))},onOpen:function(e,t){return n({type:"OPENED",data:{menuName:e,isSelected:t}})}}}))((function(n){var e=n.className,t=(0,p.Z)(n,Xd),r=t.active,i=t.disableableButtons,a=t.indigoVerification,l=t.onAction;return(0,o.jsx)("div",{"data-testid":"bottom-toolbar",className:(0,v.Z)("BottomToolbar-module_root__kjkSm",e),children:(0,o.jsxs)(ep,{children:[(0,o.jsx)(Wd,{active:r,indigoVerification:a,disableableButtons:i,onAction:l}),(0,o.jsx)(qd,np({id:"template-lib"},t))]})})}));function bg(n){return n.map((function(n){return{id:n}}))}var yg=bg(["bond-single","bond-double","bond-triple"]),Cg=bg(["bond-up","bond-down","bond-updown","bond-crossed"]),Og=bg(["bond-any","bond-aromatic","bond-singledouble","bond-singlearomatic","bond-doublearomatic"]),wg=bg(["bond-dative","bond-hydrogen"]),Sg=[yg,Cg,Og,wg],jg=Sg.flat(),xg=Sg.reduce((function(n,e,t){var r,o=(null===(r=n[t-1])||void 0===r?void 0:r.end)||0;return n.push({start:o,end:o+e.length}),n}),[]),Mg=bg(["rgroup-label","rgroup-fragment","rgroup-attpoints"]),Eg=bg(["shape-ellipse","shape-rectangle","shape-line"]),Ag=bg(["select-rectangle","select-lasso","select-fragment"]),Dg=bg(["reaction-arrow-open-angle","reaction-arrow-filled-triangle","reaction-arrow-filled-bow","reaction-arrow-dashed-open-angle","reaction-arrow-failed","reaction-arrow-both-ends-filled-triangle","reaction-arrow-equilibrium-filled-half-bow","reaction-arrow-equilibrium-filled-triangle","reaction-arrow-equilibrium-open-angle","reaction-arrow-unbalanced-equilibrium-filled-half-bow","reaction-arrow-unbalanced-equilibrium-open-half-angle","reaction-arrow-unbalanced-equilibrium-large-filled-half-bow","reaction-arrow-unbalanced-equilibrium-filled-half-triangle","reaction-arrow-elliptical-arc-arrow-filled-bow","reaction-arrow-elliptical-arc-arrow-filled-triangle","reaction-arrow-elliptical-arc-arrow-open-angle","reaction-arrow-elliptical-arc-arrow-open-half-angle"]),Pg=bg(["reaction-map","reaction-unmap","reaction-automap"]),Ng="ArrowScroll-module_button__ygMgL";function $g(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function kg(n){for(var e=1;e0&&void 0!==arguments[0]?arguments[0]:{},e=(0,d.useState)({height:void 0,width:void 0}),t=(0,x.Z)(e,2),r=t[0],o=t[1],i=(0,d.useMemo)((function(){return(0,D.throttle)(o,Ig)}),[]),a=T()(kg({onResize:i},n));return kg({ref:a.ref},r)}function _g(){return d.useContext(jn)}var Bg=function(){return d.useContext(On)},Lg=function(n,e){var t=(0,d.useRef)(n);(0,d.useEffect)((function(){t.current=n}),[n]),(0,d.useEffect)((function(){if(null!==e){var n=setInterval((function(){return t.current()}),e);return function(){return clearInterval(n)}}}),[e])},Vg=function(){var n=(0,E.I0)(),e=Bg().getKetcherInstance,t=function(){n(Ue(!0))},r=function(){n(Ue(!1))};(0,d.useEffect)((function(){var n=function(){var n;(n=e()).eventBus.addListener(u.DEm.LOADING,t),n.eventBus.addListener(u.DEm.SUCCESS,r),n.eventBus.addListener(u.DEm.FAILURE,r)};return window.addEventListener(Qn,n),function(){var o;(o=e()).eventBus.removeListener(u.DEm.LOADING,t),o.eventBus.removeListener(u.DEm.SUCCESS,r),o.eventBus.removeListener(u.DEm.FAILURE,r),window.removeEventListener(Qn,n)}}),[])},Rg=function(n){var e=n.startInView,t=n.endInView,r=n.scrollUp,i=n.scrollDown,a=(0,d.useState)(!1),l=(0,x.Z)(a,2),c=l[0],s=l[1],u=(0,d.useState)(!1),p=(0,x.Z)(u,2),h=p[0],f=p[1];return Lg(i,c?100:null),Lg(r,h?100:null),(0,d.useEffect)((function(){return function(){f(!1)}}),[e]),(0,d.useEffect)((function(){return function(){s(!1)}}),[t]),(0,o.jsxs)("div",{className:"ArrowScroll-module_scroll__h9kCx",children:[t?(0,o.jsx)(o.Fragment,{}):(0,o.jsx)("button",{onClick:function(){return i()},onMouseUp:function(){return s(!1)},onMouseDown:function(){return s(!0)},className:(0,v.Z)(Ng,"ArrowScroll-module_down__yDzZX"),children:"▼"}),e?(0,o.jsx)(o.Fragment,{}):(0,o.jsx)("button",{onClick:function(){return r()},onMouseUp:function(){return f(!1)},onMouseDown:function(){return f(!0)},className:(0,v.Z)(Ng,"ArrowScroll-module_up__Q1ubd"),children:"▲"})]})},zg=["height"];function Fg(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Gg(n){for(var e=1;el&&(0,o.jsx)(Rg,{startInView:f,endInView:y,scrollUp:function(){c.current.scrollTop-=C.current.offsetHeight},scrollDown:function(){c.current.scrollTop+=C.current.offsetHeight}})]})})),eb={"button-common-styles":"Atom-module_button-common-styles__j3EUJ",scrollbar:"Atom-module_scrollbar__iO-Ni",atom:"Atom-module_atom__g2RUu"},tb=["el","shortcut","selected"];function rb(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function ob(n){for(var e=1;e-1?Yl(Mn[n]):null,c=a&&r&&r.opts.label===n;return(0,o.jsx)(cb,{el:e,shortcut:l,className:c?"selected":"",selected:c,onClick:function(){return i({tool:"atom",opts:{label:n}})}},n)}))})})),ub="RightToolbar-module_groupItem__KHL-v",db="RightToolbar-module_buttons__YxRHI",pb=(0,S.Z)("hr")(ab||(ab=(0,j.Z)(["\n  margin: 0px 6px;\n  flex-shrink: 0;\n  height: 45%;\n  align-self: center;\n  border-width: 0px thin 0px 0px;\n  border-style: solid;\n  border-color: ",";\n"])),Bd.color.darkGrey),hb=(0,S.Z)("hr")(lb||(lb=(0,j.Z)(["\n  margin: 6px 0px;\n  -webkit-flex-shrink: 0;\n  -ms-flex-negative: 0;\n  flex-shrink: 0;\n  width: 70%;\n  -webkit-align-self: center;\n  -ms-flex-item-align: center;\n  align-self: center;\n  border: 1px solid;\n  border-color: ",";\n"])),Bd.color.grey),fb=function(){return(0,o.jsx)(pb,{})},mb=function(){return(0,o.jsx)(hb,{})},vb=["className"];function gb(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function bb(n){for(var e=1;eu&&(0,o.jsx)(Rg,{startInView:g,endInView:O,scrollUp:function(){S.current.scrollTop-=w.current.offsetHeight},scrollDown:function(){S.current.scrollTop+=w.current.offsetHeight}})]})})),Bb=(0,S.Z)((function(n){var e=n.onClick,t=n.iconName,r=n.shortcut,i=n.title,a=n.className,l=n.isActive,c=void 0!==l&&l,s=n.isHidden,u=void 0!==s&&s,d=n.disabled,p=void 0!==d&&d,h=r?"".concat(i," (").concat(r,")"):i;return u?null:(0,o.jsx)(Ld,{className:a,title:h,onClick:e,disabled:p,isActive:c,children:(0,o.jsx)(Vd,{name:t})})}))(yb||(yb=(0,j.Z)(["\n  border-radius: 4px;\n  padding: 2px;\n\n  @media only screen {\n    @container (min-width: 1024px) {\n      height: 32px;\n      width: 32px;\n      padding: 4px;\n    }\n  }\n  @media only screen {\n    @container (min-width: 1920px) {\n      height: 40px;\n      width: 40px;\n      padding: 5px;\n    }\n  }\n"]))),Lb=function(n){var e=n.onFileOpen,t=n.onSave,r=n.shortcuts,i=n.hiddenButtons;return(0,o.jsxs)(o.Fragment,{children:[(0,o.jsx)(Bb,{title:"Open...",onClick:e,iconName:"open",shortcut:r.open,isHidden:i.includes("open")}),(0,o.jsx)(Bb,{title:"Save as...",onClick:t,iconName:"save",shortcut:r.save,isHidden:i.includes("save")})]})},Vb=(0,S.Z)("div")(Cb||(Cb=(0,j.Z)(["\n  position: relative;\n"]))),Rb=(0,S.Z)("div")(Ob||(Ob=(0,j.Z)(["\n  display: flex;\n  position: absolute;\n  left: 5px;\n  border-radius: 2px;\n  flex-direction: column;\n  z-index: 20;\n  white-space: nowrap;\n  word-break: keep-all;\n  padding: 2px;\n  background: white; // TODO use variable\n  border: 1px solid #cad3dd; // TODO use variable\n  border-radius: 5px;\n  box-shadow: 0 6px 12px rgb(0 0 0 / 18%);\n"]))),zb=(0,S.Z)(B.Z)(wb||(wb=(0,j.Z)(["\n  position: absolute;\n  padding: 0;\n  right: 0;\n  bottom: 0;\n\n  &.disabled {\n    cursor: not-allowed;\n    opacity: 0.5;\n    background-color: initial;\n    color: #333;\n    pointer-events: auto;\n  }\n"]))),Fb=(0,S.Z)(kd)(Sb||(Sb=(0,j.Z)(["\n  display: block;\n  width: 7px;\n  height: 7px;\n  margin: 1px;\n\n  &:hover {\n    fill: #005662;\n    transform: none;\n    box-shadow: none;\n    transition: none;\n    background: none;\n  }\n\n  &svg {\n    width: 100%;\n    height: 100%;\n  }\n\n  &svg path {\n    fill: inherit;\n  }\n"]))),Gb=(0,E.$j)(null,(function(n){return{onToolOpen:function(){return n({type:"OPENED",data:{menuName:null,isSelected:null}})}}}))((function(n){var e=n.topElement,t=n.dropDownElements,r=n.onToolOpen,i=(0,d.useState)(!1),a=(0,x.Z)(i,2),l=a[0],c=a[1],s=function(){c(!1)};return(0,o.jsxs)(Vb,{children:[e&&e,0!==t.filter((function(n){return!n.props.isHidden})).length&&(0,o.jsx)(zb,{onClick:function(){r(),c(!0)},"data-testid":"copy-button-dropdown-triangle",className:"expanded ".concat(null!=e&&e.props.disabled?"disabled":""),children:!l&&(0,o.jsx)(Fb,{name:"dropdown"})}),(0,o.jsx)(L.Z,{in:l,timeout:"auto",onClick:s,unmountOnExit:!0,children:(0,o.jsx)(V.d,{onClickAway:s,children:(0,o.jsx)(Rb,{children:t})})})]})})),Hb=function(n){var e=n.onCopy,t=n.onCopyMol,r=n.onCopyKet,i=n.onCopyImage,a=n.onPaste,l=n.onCut,c=n.shortcuts,s=n.disabledButtons,u=n.hiddenButtons,d=[{name:"copy",title:"Copy",handler:e},{name:"copy-mol",title:"Copy as MOL",handler:t},{name:"copy-ket",title:"Copy as KET",handler:r},{name:"copy-image",title:"Copy Image",handler:i}],p=function(n){return(0,o.jsx)(Bb,{title:n.title,onClick:n.handler,iconName:n.name,shortcut:c[n.name],disabled:s.includes(n.name),isHidden:u.includes(n.name)},n.name)},h=d.find((function(n){return!u.includes(n.name)})),f=d.filter((function(n){return n!==h})).map((function(n){return p(n)}));return(0,o.jsxs)(o.Fragment,{children:[!u.includes("copies")&&(0,o.jsx)(Gb,{topElement:p(h),dropDownElements:f}),(0,o.jsx)(Bb,{title:"Paste",onClick:a,iconName:"paste",shortcut:c.paste,disabled:s.includes("paste"),isHidden:u.includes("paste")}),(0,o.jsx)(Bb,{title:"Cut",onClick:l,iconName:"cut",shortcut:c.cut,disabled:s.includes("cut"),isHidden:u.includes("cut")})]})},Zb=function(n){var e=n.onUndo,t=n.onRedo,r=n.disabledButtons,i=n.hiddenButtons,a=n.shortcuts;return(0,o.jsxs)(o.Fragment,{children:[(0,o.jsx)(fb,{}),(0,o.jsx)(Bb,{title:"Undo",onClick:e,iconName:"undo",disabled:r.includes("undo"),isHidden:i.includes("undo"),shortcut:a.undo}),(0,o.jsx)(Bb,{title:"Redo",onClick:t,iconName:"redo",disabled:r.includes("redo"),isHidden:i.includes("redo"),shortcut:a.redo}),(0,o.jsx)(fb,{})]})},Kb=(0,S.Z)("input")(jb||(jb=(0,j.Z)(["\n  border: 1px solid #cad3dd;\n  border-radius: 4px;\n  padding: 3px 8px;\n  color: #585858;\n  font-size: 14px;\n  line-height: 16px;\n  caret-color: #43b5c0;\n  margin-bottom: 8px;\n\n  &:hover {\n    border-color: #43b5c0;\n  }\n\n  &:active,\n  &:focus {\n    border-color: #167782;\n    outline: none;\n  }\n\n  &::after,\n  &::before {\n    display: none;\n  }\n"]))),Ub=function(n){n.target.select()},Yb=function(n,e){e&&(e.value="".concat(n,"%"))},Jb=function(n){var e=n.onZoomSubmit,t=n.currentZoom,r=n.inputRef,i=n.shortcuts;(0,d.useEffect)((function(){var n=r.current;Yb(t,n),document.activeElement===n&&(null==n||n.select())}),[t,r]);var a=(0,d.useCallback)((function(n){var t=r.current;t&&([i["zoom-out"],i["zoom-in"]].includes(n.key)||n.nativeEvent.stopImmediatePropagation(),"Enter"===n.key&&(e(),t.select()))}),[e,r,i]);return(0,d.useEffect)((function(){var n=r.current;null==n||n.focus(),null==n||n.select()}),[r]),(0,o.jsx)(Kb,{ref:r,onFocus:Ub,onKeyDown:a})},qb=(0,S.Z)("div")(xb||(xb=(0,j.Z)(["\n  position: relative;\n"]))),Wb=(0,S.Z)(R.Z)(Mb||(Mb=(0,j.Z)(["\n  display: flex;\n  color: #000000;\n  padding-right: 0;\n  padding-left: 0;\n\n  & svg {\n    margin-left: 2px;\n    width: 16px;\n    height: 16px;\n  }\n"]))),Xb=(0,S.Z)("span")(Eb||(Eb=(0,j.Z)(["\n  width: 35px;\n"]))),Qb=(0,S.Z)(z.ZP)(Ab||(Ab=(0,j.Z)(["\n  & .MuiPopover-paper {\n    padding: 8px;\n    width: 175px;\n    border: none;\n    border-radius: 0px 0px 4px 4px;\n    box-shadow: 0px 30px 48px -17px rgba(160, 165, 174, 0.3);\n    box-sizing: border-box;\n  }\n"]))),ny=(0,S.Z)("div")(Db||(Db=(0,j.Z)(["\n  display: flex;\n  flex-direction: column;\n  white-space: nowrap;\n  word-break: keep-all;\n  background: white;\n"]))),ey=(0,S.Z)(R.Z)(Pb||(Pb=(0,j.Z)(["\n  display: flex;\n  justify-content: space-between;\n  font-weight: 400;\n  font-size: 12px;\n  line-height: 14px;\n  padding: 7px 8px;\n  text-transform: none;\n  color: #333333;\n"]))),ty=(0,S.Z)("span")(Nb||(Nb=(0,j.Z)(["\n  color: #cad3dd;\n"]))),ry=function(n){var e=n.currentZoom,t=n.onZoom,r=n.onZoomIn,i=n.onZoomOut,a=n.disabledButtons,l=n.hiddenButtons,c=n.shortcuts,s=(0,d.useState)(!1),u=(0,x.Z)(s,2),p=u[0],h=u[1],f=(0,d.useRef)(null),m=(0,d.useRef)(null),v=(0,d.useCallback)((function(){var n=m.current;if(n){var r,o,i=(r=n.value,o=parseInt(r||""),isNaN(o)?0:o);if(i&&i!==e){var a=function(n,e){if(0===n)return e;var t=100*Math.min.apply(Math,(0,O.Z)(Yt)),r=100*Math.max.apply(Math,(0,O.Z)(Yt));return nr?r:n}(i,e);Yb(a,n),t(a)}else Yb(e,n)}}),[t,e]);return(0,o.jsxs)(qb,{ref:f,children:[(0,o.jsxs)(Wb,{onClick:function(){h(!0)},children:[(0,o.jsxs)(Xb,{"data-testid":"zoom-input",children:[Math.round(e),"%"]}),(0,o.jsx)(kd,{name:"chevron"})]}),(0,o.jsx)(Qb,{open:p,onClose:function(n,e){"backdropClick"===e&&v(),h(!1)},anchorEl:f.current,container:f.current,anchorOrigin:{vertical:"bottom",horizontal:"left"},children:(0,o.jsxs)(ny,{children:[(0,o.jsx)(Jb,{"data-testid":"zoom-value",onZoomSubmit:v,inputRef:m,currentZoom:e,shortcuts:c}),!l.includes("zoom-out")&&(0,o.jsxs)(ey,{title:"Zoom Out",onClick:i,disabled:a.includes("zoom-out"),children:[(0,o.jsx)("span",{children:"Zoom out"}),(0,o.jsx)(ty,{children:c["zoom-out"]})]}),!l.includes("zoom-in")&&(0,o.jsxs)(ey,{title:"Zoom In",onClick:r,disabled:a.includes("zoom-in"),children:[(0,o.jsx)("span",{children:"Zoom in"}),(0,o.jsx)(ty,{children:c["zoom-in"]})]}),(0,o.jsxs)(ey,{title:"Zoom 100%",onClick:function(){t(100)},children:[(0,o.jsx)("span",{children:"Zoom 100%"}),(0,o.jsx)(ty,{children:c.zoom})]})]})})]})},oy=(0,S.Z)("div")($b||($b=(0,j.Z)(["\n  display: flex;\n  align-items: center;\n  flex-grow: 1;\n  justify-content: flex-end;\n"]))),iy=function(n){var e=n.disabledButtons,t=n.hiddenButtons,r=n.onSettingsOpen,i=n.onFullscreen,a=n.onHelp,l=n.onAboutOpen,c=n.className;return(0,o.jsxs)(oy,{className:c,children:[(0,o.jsx)(Bb,{title:"Settings",onClick:r,iconName:"settings",disabled:e.includes("settings"),isHidden:t.includes("settings")}),(0,o.jsx)(Bb,{title:"Help (".concat(Yl(["?","&","Shift+/"]),")"),onClick:a,iconName:"help",disabled:e.includes("help"),isHidden:t.includes("help")}),(0,o.jsx)(Bb,{title:"About",onClick:l,iconName:"about",disabled:e.includes("about"),isHidden:t.includes("about")}),(0,o.jsx)(Bb,{title:"Fullscreen mode",onClick:i,iconName:document.fullscreenElement||document.mozFullScreenElement||document.webkitFullscreenElement||document.msFullscreenElement?"fullscreen-exit":"fullscreen-enter",disabled:e.includes("fullscreen"),isHidden:t.includes("fullscreen")})]})},ay=function(n){var e=n.isCollapsed,t=n.onLayout,r=n.onClean,i=n.onAromatize,a=n.onDearomatize,l=n.onCalculate,c=n.onCheck,s=n.onAnalyse,u=n.onMiew,d=n.disabledButtons,p=n.indigoVerification,h=n.hiddenButtons,f=n.shortcuts,m=[{name:"arom",title:"Aromatize",handler:i},{name:"dearom",title:"Dearomatize",handler:a},{name:"layout",title:"Layout",handler:t},{name:"clean",title:"Clean Up",handler:r},{name:"cip",title:"Calculate CIP",handler:l},{name:"check",title:"Check Structure",handler:c},{name:"analyse",title:"Calculated Values",handler:s},{name:"miew",title:"3D Viewer",handler:u}],v=function(n){return(0,o.jsx)(Bb,{title:n.title,onClick:n.handler,iconName:n.name,shortcut:f[n.name],disabled:p||d.includes(n.name),isHidden:h.includes(n.name)},n.name)},g=m.find((function(n){return!h.includes(n.name)})),b=m.filter((function(n){return n!==g})).map((function(n){return v(n)}));return e?(0,o.jsx)(Gb,{topElement:v(g),dropDownElements:b}):(0,o.jsxs)(o.Fragment,{children:[g&&v(g),(0,o.jsx)(o.Fragment,{children:b})]})},ly=(0,S.Z)("div")(kb||(kb=(0,j.Z)(["\n  display: flex;\n  flex-direction: row;\n  align-items: center;\n  gap: 0px;\n  height: 36px;\n  padding: 0px 22px;\n  background-color: #ffffff;\n  box-shadow: 0px 2px 5px rgba(103, 104, 132, 0.15);\n\n  .group {\n    display: flex;\n    flex-direction: row;\n    gap: 0px;\n  }\n\n  & * {\n    box-sizing: border-box;\n  }\n\n  @media only screen {\n    @container (min-width: 1024px) {\n      height: 40px;\n      gap: 0px;\n      padding-bottom: 0;\n      .group {\n        gap: 4px;\n      }\n    }\n  }\n\n  @media only screen {\n    @container (min-width: 1920px) {\n      height: 64px;\n      gap: 12px;\n    }\n  }\n"]))),cy=function(n){return n.actionState||{}},sy=(0,K.P1)([cy],(function(n){return Object.keys(n).reduce((function(e,t){var r;return null!==(r=n[t])&&void 0!==r&&r.disabled&&e.push(t),e}),[])})),uy=(0,K.P1)([cy],(function(n){return Object.keys(n).reduce((function(e,t){var r;return null!==(r=n[t])&&void 0!==r&&r.hidden&&e.push(t),e}),[])})),dy=["layout","clean","arom","dearom","cip","enhanced-stereo"],py=Object.keys(er).reduce((function(n,e){var t;if(null!==(t=er[e])&&void 0!==t&&t.shortcut){var r=Yl(er[e].shortcut);n[e]=r}return n}),{}),hy=(0,E.$j)((function(n){var e;return{currentZoom:Math.round(100*(null===(e=n.actionState)||void 0===e||null===(e=e.zoom)||void 0===e?void 0:e.selected)),disabledButtons:sy(n),hiddenButtons:uy(n),shortcuts:py,status:n.actionState||{},opened:n.toolbar.opened,indigoVerification:n.requestsStatuses.indigoVerification,disableableButtons:dy}}),(function(n){var e=function(e){n(Tt(er[e].action))};return{onClear:function(){return e("clear")},onFileOpen:function(){return e("open")},onSave:function(){n(Bt()),e("save")},onUndo:function(){return e("undo")},onRedo:function(){return e("redo")},onCopy:function(){return e("copy")},onCopyMol:function(){return e("copy-mol")},onCopyKet:function(){return e("copy-ket")},onCopyImage:function(){return e("copy-image")},onCut:function(){return e("cut")},onPaste:function(){return e("paste")},onZoomIn:function(){return e("zoom-in")},onZoomOut:function(){return e("zoom-out")},onZoom:function(e){return n(Tt((function(n){return n.zoom(e/100)})))},onSettingsOpen:function(){return e("settings")},onLayout:function(){return e("layout")},onClean:function(){return e("clean")},onAromatize:function(){return e("arom")},onDearomatize:function(){return e("dearom")},onCalculate:function(){return e("cip")},onCheck:function(){return e("check")},onAnalyse:function(){return e("analyse")},onMiew:function(){return e("miew")},onAction:function(e){return n(Tt(e))},onOpen:function(e,t){return n({type:"OPENED",data:{menuName:e,isSelected:t}})},onFullscreen:function(){return e("fullscreen")},onHelp:function(){return e("help")},onAbout:function(){return e("about")}}}))((function(n){var e=n.className,t=n.disabledButtons,r=n.indigoVerification,i=n.hiddenButtons,a=n.shortcuts,l=n.onClear,c=n.onFileOpen,s=n.onSave,u=n.onUndo,d=n.onRedo,p=n.onCopy,h=n.onCopyMol,f=n.onCopyKet,m=n.onCopyImage,v=n.onCut,g=n.onPaste,b=n.currentZoom,y=n.onZoom,C=n.onZoomIn,O=n.onZoomOut,w=n.onSettingsOpen,S=n.onLayout,j=n.onClean,x=n.onAromatize,M=n.onDearomatize,E=n.onCalculate,A=n.onCheck,D=n.onAnalyse,P=n.onMiew,N=n.onFullscreen,$=n.onAbout,k=n.onHelp,I=Tg(),T=I.ref,_=I.width,B=void 0===_?50:_;return(0,o.jsxs)(ly,{className:e,ref:T,"data-testid":"top-toolbar",children:[(0,o.jsx)(Bb,{title:"Clear Canvas",onClick:l,iconName:"clear",shortcut:a.clear,isHidden:i.includes("clear")}),(0,o.jsx)(Lb,{onFileOpen:c,onSave:s,shortcuts:a,hiddenButtons:i}),(0,o.jsx)(Hb,{onCopy:p,onCopyMol:h,onCopyKet:f,onCopyImage:m,onPaste:g,onCut:v,shortcuts:a,disabledButtons:t,hiddenButtons:i}),(0,o.jsx)(Zb,{onUndo:u,onRedo:d,disabledButtons:t,hiddenButtons:i,shortcuts:a}),(0,o.jsx)(ay,{onLayout:S,onClean:j,onAromatize:x,onDearomatize:M,onCalculate:E,onCheck:A,onAnalyse:D,onMiew:P,disabledButtons:t,hiddenButtons:i,shortcuts:a,indigoVerification:r,isCollapsed:B<650}),(0,o.jsx)(iy,{onHistoryClick:function(){},onSettingsOpen:w,onFullscreen:N,onHelp:k,onAboutOpen:$,disabledButtons:t,hiddenButtons:i}),(0,o.jsx)(fb,{}),!i.includes("zoom-list")&&(0,o.jsx)(ry,{currentZoom:b||1,onZoomIn:C,onZoomOut:O,onZoom:y,shortcuts:a,disabledButtons:t,hiddenButtons:i})]})})),fy=function(n){return n.floatingTools.visible},my=function(n){return n.floatingTools.rotateHandlePosition},vy=["transform-flip-h","transform-flip-v","erase"],gy=(0,E.$j)((function(n){return{visible:fy(n),rotateHandlePosition:my(n),status:n.actionState||{},indigoVerification:n.requestsStatuses.indigoVerification}}),(function(n){return{onAction:function(e){return n(Tt(e))}}}))((function(n){var e=n.visible,t=n.rotateHandlePosition,r=n.status,i=n.indigoVerification,a=n.onAction;return e?(0,o.jsx)("div",{className:"FloatingTools-module_wrapper__OFeE9",style:{left:t.x,top:t.y},"data-testid":"floating-tools",children:vy.map((function(n){var e=Id("erase"===n?"delete":n);return e&&(0,o.jsx)(Gd,{className:"FloatingTools-module_item__UcfDN",name:e,action:er[n],status:r[n],selected:!1,indigoVerification:i,onAction:a,disableableButtons:[]},n)}))}):null})),by="undefined"!=typeof navigator&&/Mac/.test(navigator.platform);function yy(n){var e,t,r,o,i=n.split(/\+(?!$)/),a=i[i.length-1];"Space"===a&&(a=" ");for(var l=0;l1&&void 0!==arguments[1]&&arguments[1],t=Oy(U.YG(n),n),r=1===t.length&&" "!==t;return r&&!e?Cy(t,n,!r):Cy(U.ue[n.keyCode],n,!0)}function Sy(n){return n instanceof KeyboardEvent?wy.apply(void 0,arguments):"object"===(0,g.Z)(n)?(e=n,t=Object.create(null),Object.keys(e).forEach((function(n){t[yy(n)]=e[n]})),t):yy(n);var e,t}Sy.lookup=function(n,e){var t=Oy(U.YG(e),e);"Add"===t&&(t="+"),"Subtract"===t&&(t="-");var r,o=1===t.length&&" "!==t,i=n[Cy(t,e,!o)];return e.shiftKey&&o&&(r=U.ue[e.keyCode])&&(i=n[Cy(r,e,!0)]||i),i};var jy=function(n){return n.abbreviationLookup.isOpen},xy=function(n){var e;return null!==(e=n.abbreviationLookup.lookupValue)&&void 0!==e?e:""},My={ArrowUp:new u.Sgu(0,-1),ArrowDown:new u.Sgu(0,1),ArrowRight:new u.Sgu(1,0),ArrowLeft:new u.Sgu(-1,0)};var Ey=150;function Ay(n,e){for(var t=new u.Sgu(0,1),r=t.rotate(Math.PI/2),o=u.Sgu.diff(n[n.length-1],e),i=u.Sgu.dot(r,o),a=u.Sgu.dot(t,o),l=new u.Sgu(0,0),c=0,s=1e-5,d=!1,p=!1,h=0;h-s?a>-s&&(d=!0):(Math.abs(i)*Math.abs(g)-Math.abs(v)*Math.abs(a))*g>0&&(d=!0)),d&&p&&u.Sgu.dot(m,r)*u.Sgu.dot(l,r)>=0&&(d=!1),d&&c++,o=f,i=v,a=g,l=m,p=d}return c%2!=0}var Dy=function(n,e,t){var r=[],o=[],i=n.sgroups,a=n.molecule.functionalGroups,l=Math.min(e.x,t.x),c=Math.max(e.x,t.x),s=Math.min(e.y,t.y),d=Math.max(e.y,t.y);n.bonds.forEach((function(e,t){var o=u.Sgu.lc2(n.atoms.get(e.b.begin).a.pp,.5,n.atoms.get(e.b.end).a.pp,.5);o.x>l&&o.xs&&o.yl&&e.a.pp.xs&&e.a.pp.yl&&n.item.center().xs&&n.item.center().yl&&n.item.pp.xs&&n.item.pp.yl&&n.xs&&n.yl&&n.pp.xs&&n.pp.yl&&n.sgroup.pp.xs&&n.sgroup.pp.yl&&n.xs&&n.yl&&n.middlePoint.xs&&n.middlePoint.y1){var n=this.editor.render,e=this.points.map((function(e){return u.Ciz.obj2scaled(e,n.options).add(n.options.offset)}));this.selection=0===this.mode?n.selectionPolygon(e):n.selectionRectangle(e[0],e[1])}}},{key:"end",value:function(){var n=this.getSelection();return this.points=null,this.update(),n}},{key:"cancel",value:function(){this.points=null,this.update()}}]),n}();function $y(n,e,t){var r=[],o=e.molecule.functionalGroups,i=e.sgroups;return n.forEach((function(n){var a,l=null===(a=i.get(n))||void 0===a?void 0:a.item;if(u.J41.isContractedFunctionalGroup(n,o)){var c=u.j1n.getAtoms(e.molecule,l),s=l.getContractedPosition(e.molecule).atomId,d=c.filter((function(n){return n!==s}));r.push.apply(r,(0,O.Z)(d)),t.mergeWith((0,u.U9$)(e,n)),t.mergeWith((0,u.nHA)(e,{atoms:d,bonds:u.j1n.getBonds(e,l)}))}})),r}function ky(n,e){var t,r;if(!n.sgroups.size)return[];var o=new Set;return null==e||null===(t=e.atoms)||void 0===t||t.forEach((function(e){var t=n.getGroupIdFromAtomId(e);null!==t&&o.add(t)})),null==e||null===(r=e.bonds)||void 0===r||r.forEach((function(e){var t=n.getGroupIdFromBondId(e);null!==t&&o.add(t)})),Array.from(o)}var Iy=new WeakMap,Ty=function(){function n(e,t){var r,o,i;(0,c.Z)(this,n),i={writable:!0,value:void 0},function(n,e){if(e.has(n))throw new TypeError("Cannot initialize the same private elements twice on an object")}(r=this,o=Iy),o.set(r,i),this.editor=e,this.atomProps=t,(0,J.Z)(this,Iy,{type:1,stereo:u.fYe.PATTERN.STEREO.NONE});var a=e.selection();if(a){if(a.atoms){var l,s=e.render.ctab,d=new u.aUM,p=$y(a&&ky(s.molecule,a),s,d),h=null==a||null===(l=a.atoms)||void 0===l?void 0:l.filter((function(n){return!(null!=p&&p.includes(n))&&s.atoms.has(n)}));d.mergeWith((0,u.dBq)(s,h,t,!0)),e.update(d),e.selection(null),this.editor.hoverIcon.hide()}this.isNotActiveTool=!0}else{var f;this.editor.hoverIcon.show(),this.editor.hoverIcon.label=t.label,this.editor.hoverIcon.fill=null!==(f=u.wql[t.label])&&void 0!==f?f:"#000000",this.editor.hoverIcon.updatePosition()}}return(0,s.Z)(n,[{key:"mousedown",value:function(n){var e,t=this.editor,r=this.editor.render.ctab,o=r.molecule,i=r.molecule.functionalGroups;t.hover(null),t.selection(null);var a=t.findItem(n,["atoms","functionalGroups"]);if("atoms"===(null==a?void 0:a.map)){var l=a.id,c=u.J41.findFunctionalGroupByAtom(i,l);if(null!==c)return void t.event.removeFG.dispatch({fgIds:[c]})}var s="functionalGroups"===(null==a?void 0:a.map)?null===(e=o.sgroups.get(null==a?void 0:a.id))||void 0===e?void 0:e.data.name:void 0,d=!!s&&u.j1n.isSaltOrSolvent(s);this.dragCtx={item:a,isSaltOrSolvent:d}}},{key:"mousemove",value:function(n){var e=this.dragCtx,t=this.atomProps,r=this.editor,o=this.editor,i=o.render,a=o.render,l=a.ctab,c=a.ctab.molecule,s=["atoms","functionalGroups"],d=r.findItem(n,s);if(null==e||!e.item||null!=e&&e.isSaltOrSolvent||void 0!==(null==d?void 0:d.id)&&d.id===e.item.id){if(r.hoverIcon.show(),r.hoverIcon.updatePosition(),r.hover(r.findItem(n,s),null,n),null!=e&&e.action){var p=e.action.perform(l);delete e.action,r.update(p,!0)}}else{var h;if(r.hoverIcon.hide(),"atoms"===e.item.map)h=e.item.id;else if("functionalGroups"===e.item.map){var f=c.sgroups.get(e.item.id);h=null==f?void 0:f.getAttachmentAtomId()}if(void 0!==h){var m=c.atoms.get(h),v=u.MfV.calcAngle(m.pp,i.page2obj(n));n.ctrlKey||(v=u.MfV.fracAngle(v,null));var g=u.MfV.degrees(v);r.event.message.dispatch({info:g+"º"});var b=u.MfV.calcNewAtomPos(m.pp,i.page2obj(n),n.ctrlKey);e.action&&e.action.perform(l),e.action=(0,u.QXZ)(i.ctab,(0,Y.Z)(this,Iy),h,Object.assign({},t),void 0,b)[0],r.update(e.action,!0)}}}},{key:"mouseup",value:function(n){var e=this.dragCtx,t=this.atomProps,r=this.editor,o=this.editor,i=o.render,a=o.render,l=a.ctab,c=a.ctab,s=c.molecule,d=c.molecule.functionalGroups,p=r.findItem(n,["atoms","bonds","functionalGroups"]),h=new u.aUM;if(e.item&&(null==e||!e.isSaltOrSolvent)||p){if(e.item&&p&&e.item.id===p.id)if("functionalGroups"===p.map&&u.J41.isContractedFunctionalGroup(p.id,d)){var f=s.sgroups.get(p.id),m=f.getContractedPosition(s).atomId;if(void 0!==m){var v=(0,O.Z)(u.j1n.getAtoms(s,f)).filter((function(n){return n!==m})),g=(0,O.Z)(u.j1n.getBonds(s,f));h.mergeWith((0,u.U9$)(l,p.id)),h.mergeWith((0,u.nHA)(l,{atoms:v,bonds:g})),h.mergeWith((0,u.dBq)(l,m,t,!0))}}else if("atoms"===p.map){var b=p.id;void 0===e.action&&null===u.J41.atomsInFunctionalGroup(d,b)&&h.mergeWith((0,u.dBq)(l,b,t,!0))}}else h.mergeWith((0,u.f8s)(l,i.page2obj(n),t));r.event.message.dispatch({info:!1}),r.hover(this.editor.findItem(n,["atoms","functionalGroups"]),null,n),delete this.dragCtx,r.update(e.action?h.mergeWith(e.action):h)}}]),n}();function _y(n,e){var t,r=n.dragCtx,o=n.editor,i=null===(t=r.item)||void 0===t?void 0:t.id,a=e.ctab.molecule.functionalGroups,l=null!=i?e.ctab.molecule.atoms.get(i):new u.hgN({label:""}),c=u.J41.findFunctionalGroupByAtom(a,i);r.timeout=setTimeout((function(){if(delete n.dragCtx,null==c){o.selection(null);var t=o.event.quickEdit.dispatch(l);Promise.resolve(t).then((function(n){var t=i?(0,u.dBq)(e.ctab,i,n,null):(0,u.f8s)(e.ctab,r.xy0,n);o.update(t)})).catch((function(){return null}))}else o.event.removeFG.dispatch({fgIds:[c]})}),750),r.stopTapping=function(){r.timeout&&(clearTimeout(r.timeout),delete r.timeout)}}function By(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return Ly(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?Ly(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function Ly(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0){var D,P=By(d);try{for(P.s();!(D=P.n()).done;){var N=D.value,$=u.J41.findFunctionalGroupByAtom(p,N);null===$||h.includes($)||h.push($)}}catch(n){P.e(n)}finally{P.f()}}if(h.length)return this.editor.selection(null),void this.editor.event.removeFG.dispatch({fgIds:h});n.sgroupDialog(this.editor,f),this.isNotActiveTool=!0}}},{key:"mousedown",value:function(n){var e=this.editor.findItem(n,Vy),t=this.editor.render.ctab,r=t.sgroups,o=t.molecule,i=o.functionalGroups,a=[],l=[],c=[];if(e&&i.size&&"atoms"===e.map){var s,d=u.J41.atomsInFunctionalGroup(i,e.id),p=null!==d&&(null===(s=t.atoms.get(d))||void 0===s?void 0:s.a);!p||u.J41.isAtomInContractedFunctionalGroup(p,r,i,!0)||u.j1n.isAtomInContractedSGroup(p,r)||a.push(d)}if(e&&i.size&&"bonds"===e.map){var h,f=u.J41.bondsInFunctionalGroup(o,i,e.id),m=null!==f&&(null===(h=t.bonds.get(f))||void 0===h?void 0:h.b);!m||u.J41.isBondInContractedFunctionalGroup(m,r,i)||u.j1n.isBondInContractedSGroup(m,r)||l.push(f)}if(e&&i.size&&"functionalGroups"===e.map){var v=r.get(e.id);if(u.J41.isFunctionalGroup(null==v?void 0:v.item))return void this.editor.event.removeFG.dispatch({fgIds:[e.id]})}if(a.length>0){var g,b=By(a);try{for(b.s();!(g=b.n()).done;){var y=g.value,C=u.J41.findFunctionalGroupByAtom(i,y);null===C||c.includes(C)||c.push(C)}}catch(n){b.e(n)}finally{b.f()}this.editor.event.removeFG.dispatch({fgIds:c})}else if(l.length>0){var O,w=By(l);try{for(w.s();!(O=w.n()).done;){var S=O.value,j=u.J41.findFunctionalGroupByBond(o,i,S);null===j||c.includes(j)||c.push(j)}}catch(n){w.e(n)}finally{w.f()}this.editor.event.removeFG.dispatch({fgIds:c})}else e||this.lassoHelper.begin(n)}},{key:"mousemove",value:function(n){this.lassoHelper.running(n)?this.editor.selection(this.lassoHelper.addPoint(n)):this.editor.hover(this.editor.findItem(n,Vy),null,n)}},{key:"mouseleave",value:function(n){this.lassoHelper.running(n)&&this.lassoHelper.end(n)}},{key:"mouseup",value:function(e){var t,r,o,i,a,l=this.editor.render.ctab,c=l.sgroups,s=l.molecule,d=s.functionalGroups,p=this.editor.findItem(e,Vy),h=this.editor.selection(),f={atoms:[],bonds:[]},m=[],v=[],g=[];if(!(p&&"functionalGroups"===p.map&&d.size&&u.J41.isContractedFunctionalGroup(p.id,d))){if(h&&d.size&&h.atoms){var b,y=By(h.atoms);try{for(y.s();!(b=y.n()).done;){var C,w=b.value,S=u.J41.atomsInFunctionalGroup(d,w);null==S&&(i=!0);var j=null!==S&&(null===(C=l.atoms.get(S))||void 0===C?void 0:C.a);if(j){var x,M=By(j.sgs.values());try{for(M.s();!(x=M.n()).done;)o=x.value}catch(n){M.e(n)}finally{M.f()}}if(j&&(u.J41.isAtomInContractedFunctionalGroup(j,c,d,!0)||u.j1n.isAtomInContractedSGroup(j,c))){var E,A,D,P,N=void 0!==o&&u.j1n.getAtoms(s,null===(E=l.sgroups.get(o))||void 0===E?void 0:E.item),$=void 0!==o&&u.j1n.getBonds(s,null===(A=l.sgroups.get(o))||void 0===A?void 0:A.item);w===N[0]&&(D=f.atoms).push.apply(D,(0,O.Z)(N))&&(P=f.bonds).push.apply(P,(0,O.Z)($))}j&&m.push(S)}}catch(n){y.e(n)}finally{y.f()}}if(h&&d.size&&h.bonds){var k,I=By(h.bonds);try{for(I.s();!(k=I.n()).done;){var T,_=k.value,B=u.J41.bondsInFunctionalGroup(s,d,_);null===B&&(a=!0),null!==B&&(null===(T=l.bonds.get(B))||void 0===T?void 0:T.b)&&v.push(B)}}catch(n){I.e(n)}finally{I.f()}}if(m.length&&m.forEach((function(n){var e,t,r=u.J41.findFunctionalGroupByAtom(d,n),o=u.j1n.getAtoms(s,null===(e=l.sgroups.get(r))||void 0===e?void 0:e.item);(t=f.atoms).push.apply(t,(0,O.Z)(o))})),v.length&&v.forEach((function(n){var e,t,r=u.J41.findFunctionalGroupByBond(s,d,n),o=u.j1n.getBonds(s,null===(e=l.sgroups.get(r))||void 0===e?void 0:e.item);(t=f.bonds).push.apply(t,(0,O.Z)(o))})),(i||a)&&(m=null,v=null),m&&m.length>0){var L,V=By(m);try{for(V.s();!(L=V.n()).done;){var R=L.value,z=u.J41.findFunctionalGroupByAtom(d,R);null===z||g.includes(z)||g.push(z)}}catch(n){V.e(n)}finally{V.f()}}if(v&&v.length>0){var F,G=By(v);try{for(G.s();!(F=G.n()).done;){var H=F.value,Z=u.J41.findFunctionalGroupByBond(s,d,H);null===Z||g.includes(Z)||g.push(Z)}}catch(n){G.e(n)}finally{G.f()}}if(1===g.length)return this.editor.selection(null),this.lassoHelper.cancel(),void this.editor.event.removeFG.dispatch({fgIds:g});var K=null,U=null;if(this.lassoHelper.running(e))U=f.atoms.length>0?pC(this.lassoHelper.end(e),f,!1):this.lassoHelper.end(e),this.editor.selection(U);else{if(!p)return;if(this.editor.hover(this.editor.findItem(e,Vy),null,e),"atoms"===p.map)U={atoms:[p.id]};else if("bonds"===p.map){var Y=this.editor.render.ctab.bonds.get(p.id);U={atoms:[null==Y?void 0:Y.b.begin,null==Y?void 0:Y.b.end],bonds:[p.id]}}else{if("sgroups"!==p.map&&"sgroupData"!==p.map)return;K=p.id}}var J=(null===(t=U)||void 0===t||null===(t=t.atoms)||void 0===t?void 0:t.length)||(null===(r=U)||void 0===r||null===(r=r.bonds)||void 0===r?void 0:r.length);(null!==K||J)&&(this.editor.selection(U),n.sgroupDialog(this.editor,K))}}},{key:"cancel",value:function(){this.lassoHelper.running()&&this.lassoHelper.end(),this.editor.selection(null)}}],[{key:"sgroupDialog",value:function(n,e){var t,r=n.render.ctab,o=r.molecule,i=n.selection()||{},a=null!==e?o.sgroups.get(e):null;a?(t=a.getAttrs()).context||(t.context=function(n,e){var t=n.molecule;if(1===e.length)return u.I6H.Atom;if(Hy(n,e))return u.I6H.Multifragment;if(Gy(n,e))return u.I6H.Fragment;var r=new u.UE_(e),o=Array.from(t.bonds.values()).filter((function(n){return r.has(n.begin)&&r.has(n.end)}));return Fy(o)?u.I6H.Group:u.I6H.Bond}(r,a.atoms)):t={context:zy(r,i)};var l=n.event.sgroupEdit.dispatch({type:null==a?void 0:a.type,attrs:t});Promise.resolve(l).then((function(t){if("DAT"!==t.type&&(0,u.tIy)(o,i.atoms||[]))n.event.message.dispatch({error:"Partial S-group overlapping is not allowed."});else{if(!(a||"DAT"===t.type||i.atoms&&0!==i.atoms.length))return;if(a&&a.getAttrs().context===t.attrs.context){var l=(0,u.V4S)(r,t.type,a.atoms,t.attrs).mergeWith((0,u.U9$)(r,e));return l.mergeWith((0,u.QpJ)(r)),n.update(l),void n.selection(i)}var c=function(n,e,t,r){var o=e.render.ctab,i=o.molecule.sgroups.get(n),a=i&&i.atoms||r.atoms||[],l=t.attrs.context;t.type===u.j1n.TYPES.SUP&&(t.attrs.expanded=!0);var c=(0,u.Hwe)(l,o,t,a,r);return c.selection=c.selection||r,null!=n&&(c.action=c.action.mergeWith((0,u.U9$)(o,n))),e.selection(c.selection),c}(e,n,t,i);n.update(c.action),n.selection(null)}})).catch((function(n){}))}}]),n}();function zy(n,e){var t=n.molecule;if(e.atoms&&!e.bonds)return u.I6H.Atom;var r=e.bonds.map((function(n){return t.bonds.get(n)}));if(!Fy(r))return u.I6H.Bond;e.atoms=e.atoms||[];var o=new u.UE_(e.atoms),i=r.every((function(n){return o.has(n.begin)&&o.has(n.end)}));return Gy(n,e.atoms)&&i?u.I6H.Fragment:Hy(n,e.atoms)?u.I6H.Multifragment:u.I6H.Group}function Fy(n){if(0===n.length)return!0;for(var e=0;e1}function Zy(n,e){var t=new u.UE_(e);return Array.from(n.connectedComponents.values()).reduce((function(n,e){return n+(t.isSuperset(e)?1:0)}),0)}function Ky(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}(null!==(o=null===(i=n.selection())||void 0===i?void 0:i.bonds)&&void 0!==o?o:[]);try{for(g.s();!(v=g.n()).done;){var b=v.value,y=l.bonds.get(b);y&&u.azF.bondRecalc(y,l,n.options())}}catch(n){g.e(n)}finally{g.f()}return n.hover(null),c&&n.selection(null),(null===(a=s)||void 0===a?void 0:a.operations.length)>0&&n.update(s,!1,{resizeCanvas:!!r}),s}function Yy(n,e){var t=Object.getOwnPropertyNames(e).filter((function(n){return""!==e[n]}));return Object.getOwnPropertyNames(n).reduce((function(r,o){var i,a,l;return r[o]=t.includes(o)?(i=o,a=e[o],(l={charge:Number,exactChangeFlag:Number,unsaturatedAtom:Number})[i]?l[i](a):a):n[o],r}),{})}function Jy(n){var e=n.atoms,t=n.changeAtomPromise,r=n.editor,o=new u.aUM,i=r.render.ctab,a=i.molecule;e&&Promise.resolve(t).then((function(n){e.forEach((function(e){var t=Yy(a.atoms.get(e),n);o.mergeWith((0,u.dBq)(i,e,t,!1))})),r.update(o)})).catch((function(){return null}))}function qy(n){var e=n.bonds,t=n.changeBondPromise,r=n.editor,o=new u.aUM,i=r.render.ctab,a=i.molecule;e&&Promise.resolve(t).then((function(n){e.forEach((function(e){var t=Yy(a.bonds.get(e),n);o.mergeWith((0,u.Wa4)(i,e,t,!1))})),r.update(o)})).catch((function(){return null}))}function Wy(n,e){var t,r,o,i;return{atoms:null!==(t=null===(r=n.atoms)||void 0===r?void 0:r.filter((function(n){var t=e.getGroupIdFromAtomId(n);if(Xy(t,e))return!0;var r=e.sgroups.get(t);return(null==r?void 0:r.getAttachmentAtomId())===n})))&&void 0!==t?t:[],bonds:null!==(o=null===(i=n.bonds)||void 0===i?void 0:i.filter((function(n){return Xy(e.getGroupIdFromBondId(n),e)})))&&void 0!==o?o:[]}}function Xy(n,e){if(null===n)return!0;var t=e.sgroups.get(n);if(!t)throw new Error('sGroup with id = "'.concat(n,'" must be defined, unexpected behaviour'));return t.checkAttr("expanded",!0)}function Qy(n,e){var t=n.getVBoxObj(e||{});return u.Sgu.lc2(t.p0,.5,t.p1,.5)}function nC(n,e){e?n.render.setScrollOffset(e.x,e.y):n.render.setScrollOffset(0,0)}var eC=function(n,e,t){var r=e.getAttribute("cursor");!n&&r&&e.removeAttribute("cursor"),n&&!r&&e.setAttribute("cursor",t)};function tC(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return rC(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?rC(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function rC(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);tr.x||i+o.x<0||a>r.y||a+o.y<0}))}(Array.from(o.struct().atoms.values()),o.render,o.options().scale);"rxnArrows"===this.dragCtx.item.map&&(this.updateArrowResizingState(this.dragCtx.item.id,!1),this.editor.update(!0)),Uy(o,this.dragCtx.mergeItems,this.dragCtx.action,f),delete this.dragCtx}else(0,Y.Z)(this,sC).running()?this.selectElementsOnCanvas(s,o,n):(0,Y.Z)(this,sC).fragment&&!n.shiftKey&&this.editor.render.clientArea.contains(n.target)&&o.selection(null);o.event.message.dispatch({info:!1}),this.editor.rotateController.rerender()}}},{key:"dblclick",value:function(n){var e=this.editor,t=e.render.ctab,r=t.molecule,o=t.sgroups,i=r.functionalGroups,a=e.findItem(n,["atoms","bonds","sgroups","functionalGroups","sgroupData","texts"],null),l=[],c=[],s=[];if(a&&i&&"atoms"===a.map){var d,p=u.J41.atomsInFunctionalGroup(i,a.id),h=null!==p&&(null===(d=t.atoms.get(p))||void 0===d?void 0:d.a);h&&!u.J41.isAtomInContractedFunctionalGroup(h,o,i,!0)&&l.push(p)}if(a&&i&&"bonds"===a.map){var f,m=u.J41.bondsInFunctionalGroup(r,i,a.id),v=null!==m&&(null===(f=t.bonds.get(m))||void 0===f?void 0:f.b);v&&!u.J41.isBondInContractedFunctionalGroup(v,o,i)&&c.push(m)}if(l.length>0){var g,b=tC(l);try{for(b.s();!(g=b.n()).done;){var y=g.value,C=u.J41.findFunctionalGroupByAtom(i,y);null===C||s.includes(C)||s.push(C)}}catch(n){b.e(n)}finally{b.f()}e.event.removeFG.dispatch({fgIds:s})}else if(c.length>0){var O,w=tC(c);try{for(w.s();!(O=w.n()).done;){var S=O.value,j=u.J41.findFunctionalGroupByBond(r,i,S);null===j||s.includes(j)||s.push(j)}}catch(n){w.e(n)}finally{w.f()}this.editor.event.removeFG.dispatch({fgIds:s})}else if(a){var x=this.editor.selection();if("atoms"===a.map){var M=fC(x,r),E=e.event.elementEdit.dispatch(M);Jy({atoms:(null==x?void 0:x.atoms)||[],editor:e,changeAtomPromise:E})}else if("bonds"===a.map){var A=function(n,e){return null!=n&&n.bonds?vC(null==n?void 0:n.bonds,e):[]}(x,r),D=e.event.bondEdit.dispatch(A);qy({bonds:(null==x?void 0:x.bonds)||[],changeBondPromise:D,editor:e})}else if("sgroups"===a.map&&!u.J41.isFunctionalGroup(r.sgroups.get(a.id))||"sgroupData"===a.map)e.selection(dC(a)),Ry.sgroupDialog(e,a.id);else if("texts"===a.map){e.selection(dC(a));var P=r.texts.get(a.id);e.event.elementEdit.dispatch(iC(iC({},P),{},{type:"text"})).then((function(n){var r=n.content;r?r!==(null==P?void 0:P.content)&&e.update((0,u.rzF)(t,a.id,r)):e.update((0,u.NmG)(t,a.id))})).catch((function(){return null}))}return!0}}},{key:"mouseleave",value:function(){if(this.dragCtx&&this.dragCtx.stopTapping&&this.dragCtx.stopTapping(),this.dragCtx&&this.dragCtx.action){var n=this.dragCtx.action;this.editor.update(n)}(0,Y.Z)(this,sC).running()&&this.editor.selection((0,Y.Z)(this,sC).end()),delete this.dragCtx,this.editor.hover(null)}},{key:"selectElementsOnCanvas",value:function(n,e,t){var r=n.atoms.length>0?pC((0,Y.Z)(this,sC).end(),n,!1):(0,Y.Z)(this,sC).end();e.selection(t.shiftKey?pC(r,e.selection(),!1):r)}},{key:"isDraggingStructureOnSaltOrSolvent",value:function(n,e){var t,r;if(null!=n&&n.mergeItems){var o=Array.from(n.mergeItems.atoms.values()),i=Array.from(n.mergeItems.bonds.values()),a=Array.from(e.values()).map((function(n){return n.item})).filter((function(n){return!!n}));t=o.some((function(n){return u.j1n.isAtomInSaltOrSolvent(n,a)})),r=i.some((function(n){return u.j1n.isBondInSaltOrSolvent(n,a)}))}return t||r}},{key:"updateArrowResizingState",value:function(n,e){var t=this.editor.render.ctab.rxnArrows.get(n);t&&(t.isResizing=e)}}]),n}();function dC(n){var e={};return e[n.map]=[n.id],e}function pC(n,e,t){return e&&Object.keys(e).forEach((function(r){n[r]?n[r]=function(n,e,t){return e.reduce((function(e,r){return t?n=(0,C.xor)(n,[r]):n.includes(r)||n.push(r),n}),[])}(n[r],e[r],t):n[r]=e[r].slice()})),n}function hC(n,e){return n&&n[e.map]&&n[e.map].includes(e.id)}function fC(n,e){return null!=n&&n.atoms?mC(null==n?void 0:n.atoms,e):[]}function mC(n,e){return n.map((function(n){var t=e.atoms.get(n);return t.a||t}))}function vC(n,e){return n.map((function(n){var t=e.bonds.get(n);return(null==t?void 0:t.b)||t}))}function gC(n){return["sgroups","functionalGroups","sgroupData","rgroups","rgroupAttachmentPoints","rxnArrows","rxnPluses","enhancedFlags","simpleObjects","texts"].concat((0,O.Z)(n?["frags"]:["atoms","bonds"]))}function bC(n,e,t){var r=n.render.page2obj(t),o=r.sub(e.xy0);return[n.render.ctab,e.item.id,o,r,e.item.ref]}function yC(n,e){var t,r={atoms:[],bonds:[]},o=tC(e);try{for(o.s();!(t=o.n()).done;){var i=t.value,a=n.render.ctab.sgroups.get(i);if(a){var l,c,s=u.j1n.getAtoms(n.struct(),a.item),d=u.j1n.getBonds(n.struct(),a.item);(l=r.atoms).push.apply(l,(0,O.Z)(s)),(c=r.bonds).push.apply(c,(0,O.Z)(d))}}}catch(n){o.e(n)}finally{o.f()}return r}function CC(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function OC(n){for(var e=1;e1&&void 0!==arguments[1]?arguments[1]:"",t={atoms:{atom:function(n){return function(n){var e=n.hoveredItemId,t=n.newAction,r=n.editor,o=OC({},t.opts),i=(0,u.dBq)(r.render.ctab,e,o,!0);r.update(i)}(n)},bond:function(n){return function(n){var e=n.hoveredItemId,t=n.newAction,r=n.editor,o=(0,u.QXZ)(r.render.ctab,t.opts,e,{label:"C"})[0];r.update(o)}(n)},charge:function(n){return function(n){var e,t=n.hoveredItemId,r=n.newAction,o=n.editor,i=null===(e=o.render.ctab.atoms.get(t))||void 0===e?void 0:e.a;if(i){var a=(0,u.dBq)(o.render.ctab,t,{charge:i.charge+r.opts},null);o.update(a)}}(n)},rgroupatom:function(n){return function(n){return MC.apply(this,arguments)}(n)},sgroup:function(n){var e=n.editor,t=n.hoveredItemId;Ry.sgroupDialog(e,t)},hand:function(n){return(0,n.dispatch)(Tt({tool:"hand"}))}},sgroups:{atom:function(n){return function(n){var e=n.hoveredItemId,t=n.newAction,r=n.editor,o=OC({},t.opts),i=new u.aUM,a=r.render.ctab,l=a.molecule.sgroups.get(e);if(null==l)throw new Error('unexpected error, sgroup with id "'.concat(e,'" is not found'));var c=l.getContractedPosition(a.molecule).atomId;$y([e],a,i),i.mergeWith((0,u.dBq)(r.render.ctab,c,o,!0)),r.update(i)}(n)}},_default:{}},r=t[n];return r?r[e]:t._default[e]}(a,t.tool),i="hand"!==t.tool,l=e[a];if(n){var c={hoveredItemId:l,editor:r,newAction:t,dispatch:o};jC(c,a).then((function(e){!e&&i||n(c)}))}};for(var a in e)i()}(n):(0,(e=n).dispatch)(Tt(e.newAction))}function SC(n){var e=n.editor,t=n.item,r=(0,u.nHA)(e.render.ctab,t);e.update(r),e.hover(null)}function jC(n,e){return xC.apply(this,arguments)}function xC(){return xC=(0,i.Z)(l().mark((function n(e,t){return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:if("sgroups"!==t){n.next=2;break}return n.abrupt("return",!0);case 2:return n.next=4,AC(e,t);case 4:return n.abrupt("return",n.sent);case 5:case"end":return n.stop()}}),n)}))),xC.apply(this,arguments)}function MC(){return MC=(0,i.Z)(l().mark((function n(e){var t,r,o,i,a,c,s;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return t=e.hoveredItemId,r=e.editor,o=r.render.ctab.molecule,i=t||0===t?o.atoms.get(t):null,a=i?i.rglabel:0,c=i?i.label:"R#",n.prev=5,n.next=8,r.event.elementEdit.dispatch({label:"R#",rglabel:a,fragId:i?i.fragment:null});case 8:s=n.sent,s=Object.assign({},u.hgN.attrlist,s),!t&&0!==t&&s.rglabel?r.update((0,u.f8s)(r.render.ctab,null,s)):a!==s.rglabel&&(s.rglabel||"R#"===c||(s.label=c),r.update((0,u.dBq)(r.render.ctab,t,s,!1))),n.next=15;break;case 13:n.prev=13,n.t0=n.catch(5);case 15:case"end":return n.stop()}}),n,null,[[5,13]])}))),MC.apply(this,arguments)}function EC(n,e,t){var r=n.render.ctab.molecule,o=r.functionalGroups;return"atoms"===t?u.J41.findFunctionalGroupByAtom(o,e):u.J41.findFunctionalGroupByBond(r,o,e)}function AC(n,e){return DC.apply(this,arguments)}function DC(){return(DC=(0,i.Z)(l().mark((function n(e,t){var r,o,i;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:if(r=e.hoveredItemId,o=e.editor,null===(i=EC(o,r,t))){n.next=6;break}return n.next=5,o.event.removeFG.dispatch({fgIds:[i]});case 5:return n.abrupt("return",!1);case 6:return n.abrupt("return",!0);case 7:case"end":return n.stop()}}),n)})))).apply(this,arguments)}function PC(n){return function(e,t){var r=function(){var n,e={};return Object.keys(er).forEach((function(t){(n=er[t]).shortcut&&(Array.isArray(n.shortcut)?n.shortcut.forEach((function(n){IC(n,t,e)})):IC(n.shortcut,t,e))})),Sy(e)}();n.addEventListener("keydown",(function(n){return function(n,e,t,r){var o=e();if(!o.modal&&!jy(o)){var i,a,l=o.editor,c=l.render,s=o.actionState,d=s.activeTool,p=Sy(r),h=null;if(p&&1===p.length){var f=xy(o),m=$C.includes(null==p?void 0:p.toLowerCase());if((p!==f||!m)&&f){n(bp(r.key)),clearTimeout(lC),lC=void 0;var v=Pt.getSettings().selectionTool;return n(Tt(v)),void r.preventDefault()}lC=window.setTimeout((function(){n(yp()),lC=void 0}),NC),n(gp(r.key))}if(p&&1===p.length&&p.match("/")){var g={atoms:er["atom-props"].action,bonds:er["bond-props"].action},b=kC(c.ctab);if(!b)return;var y=Object.keys(b)[0];Object.hasOwn(g,y)&&wC({hoveredItem:b,newAction:g[y],editor:l,dispatch:n}),r.preventDefault()}else if(l.rotateController.isRotating&&"Escape"===p)l.rotateController.revert();else if(void 0!==(h=Sy.lookup(t,r))){var O=function(n,e){var t=n.indexOf(e.tool);return n.forEach((function(n,r){(0,C.isEqual)(er[n].action,e)&&(t=r)})),t}(h,d),S=h[(O+1)%(null!==h?h.length:1)];if(s[S]&&!0===s[S].disabled)return void r.preventDefault();if(function(n,e,t){["paste","template"].includes(n.tool)&&null!=e&&e.includes("save")&&t(Bt())}(d,h,n),-1===zn.indexOf(S)){var j=er[S].action,x=kC(c.ctab);x&&"select"!==j.tool&&"templates"!==j.dialog?(i=h[O],wC({hoveredItem:x,newAction:j=(null===(a=er[i])||void 0===a?void 0:a.action)||j,editor:l,dispatch:n})):("select"===j.tool&&(j=Pt.getSettings().selectionTool),n(Tt(j))),r.preventDefault()}else w.w1&&Fn(r)}else(function(n){return"ArrowUp"===n||"ArrowDown"===n||"ArrowLeft"===n||"ArrowRight"===n})(r.key)&&function(n,e,t){var r=1/n.options().scale,o=10*r,i=n.explicitSelected(),a=My[e],l=(0,u.DYm)(n.render.ctab,i,a.scaled(t?o:r));n.update(l,!1,{resizeCanvas:!0});var c=function(n,e,t){if(!n.atoms)return!1;var r=e.render.ctab,o=r.atoms.get(null==n?void 0:n.atoms[0]),i=r.atoms.get(null==n?void 0:n.atoms[0]),a=r.atoms.get(null==n?void 0:n.atoms[0]),l=r.atoms.get(null==n?void 0:n.atoms[0]);if(n.atoms.forEach((function(n){var e=r.atoms.get(n),t=null==e?void 0:e.a.pp;t&&o&&(o=t.yi.a.pp.y?e:i),t&&a&&(a=t.x>a.a.pp.x?e:a),t&&l&&(l=t.x0)&&(0,o.jsxs)("footer",{className:YC.footer,children:[f,u.length>0&&u.map((function(n){return"string"!=typeof n?n:(0,o.jsx)("input",{type:"button",className:(0,v.Z)(M(n)?YC.ok:YC.cancel,"Save"===n&&YC.save),value:g&&g[n]?g[n]:n,disabled:M(n)&&!c(),onClick:function(){return E(n)},"data-testid":n},n)}))]})]}))},QC=function(){return(0,o.jsxs)("div",{className:"LoadingCircles-module_container__MPCs0",children:[(0,o.jsx)("span",{}),(0,o.jsx)("span",{}),(0,o.jsx)("span",{})]})};function nO(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function eO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t=1)){var s=Math.abs(e.y-c.y);s<.3&&(!a||se.y&&i.p0.xe.x,l=Math.min(Math.abs(i.p0.x-e.x),Math.abs(i.p1.x-e.x));a&&(null===r||ll.y&&n.p0.xl.x,i=Math.min(Math.abs(n.p0.x-l.x),Math.abs(n.p1.x-l.x));e&&(null===t||i=l&&e.x<=s&&(e.yd?p.push(e.y-d):p.push(e.y-c,d-e.y)),e.xs&&e.y>d&&p.push(u.Sgu.dist(new u.Sgu(s,d),e)),e.xd&&p.push(u.Sgu.dist(new u.Sgu(l,d),e)),e.x>s&&e.y=c&&e.y<=d&&(e.xs?p.push(e.x-s):p.push(0));var h=Math.min.apply(Math,p);htO*o.scale?{id:i,dist:r}:null}function lO(n,e,t){var r,o=n.sgroups,i=t&&"functionalGroups"===t.map?t.id:null,a=function(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return eO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?eO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}(o.entries());try{for(a.s();!(r=a.n()).done;){var l=(0,x.Z)(r.value,2),c=l[0],s=l[1];if(c!==i){var d=s.getTextHighlightDimensions(0,n.render),p=d.startX,h=d.startY,f=d.width,m=d.height,v=u.Ciz.obj2scaled(e,n.render.options),g=v.x,b=v.y;if(oO(p,h,f,m,g,b)){var y=p+f/2,C=h+m/2,O=new u.Sgu(y,C),w=new u.Sgu(g,b),S=u.Sgu.dist(O,w);return{id:s.item.id,dist:S}}}}}catch(n){a.e(n)}finally{a.f()}return null}var cO=function(n,e,t,o,i){t=t||Object.keys(rO);var a=null,l=t.reduce((function(t,l){var c=t?t.dist:null,s=rO[l](n,e,o,c,i);if(null!==s){var u=function(n){for(var e=1;e2&&void 0!==arguments[2]?arguments[2]:["atoms","bonds"],r=arguments.length>3?arguments[3]:void 0,o={atoms:new Map,bonds:new Map},i=n.molecule;e.atoms.forEach((function(n){o.atoms.set(n,i.atoms.get(n).pp)})),e.bonds.forEach((function(n){var e=i.bonds.get(n);o.bonds.set(n,u.Sgu.lc2(i.atoms.get(e.begin).pp,.5,i.atoms.get(e.end).pp,.5))}));var a={atoms:new Map,atomToFunctionalGroup:new Map};return t.forEach((function(t){"atoms"===t?Array.from(o.atoms.keys()).forEach((function(t){var r=o.atoms.get(t);(function(n,e,t,r,o){var i=iO(e,t,{map:"atoms",id:n},null);return!(!i||r.atoms.includes(i.id))&&(o.atoms.set(n,i.id),!0)})(t,n,r,e,a)||function(n,e,t,r){var o=e.molecule.getGroupFromAtomId(n);if(n===(null==o?void 0:o.getAttachmentAtomId()))return!1;var i=lO(e,t,null);i&&r.atomToFunctionalGroup.set(n,i.id)}(t,n,r,a)})):a[t]=Array.from(o[t].keys()).reduce((function(i,a){var l={map:t,id:a},c=rO[t](n,o[t].get(a),l,null,r);return c&&!e[t].includes(c.id)&&i.set(a,c.id),i}),new Map)})),a};function uO(n,e,t){return dO.apply(this,arguments)}function dO(){return dO=(0,i.Z)(l().mark((function n(e,t,r){var o,i,a,c,s,d;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return n.prev=0,n.next=3,e.event.elementEdit.dispatch({attachmentPoints:t.attachmentPoints});case 3:o=n.sent,i=null==t?void 0:t.attachmentPoints,a=o.attachmentPoints,i!==a&&(c=(0,u.dBq)(e.render.ctab,r,o,null),s=(0,u.J3L)(e.render.ctab,r,a),d=c.mergeWith(s),e.update(d)),n.next=11;break;case 9:n.prev=9,n.t0=n.catch(0);case 11:case"end":return n.stop()}}),n,null,[[0,9]])}))),dO.apply(this,arguments)}function pO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0)){if(o&&"atoms"===o.map){this.editor.hover(null);var c=t.atoms.get(o.id);return Uv(null!=c),c.isRGroupAttachmentPointEditDisabled||uO(e,c,o.id),!0}return!0}var s,d=function(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return pO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?pO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}(i);try{for(d.s();!(s=d.n()).done;){var p=s.value,h=u.J41.findFunctionalGroupByAtom(r,p);null===h||a.includes(h)||a.push(h)}}catch(n){d.e(n)}finally{d.f()}this.editor.event.removeFG.dispatch({fgIds:a})}}]),n}();function fO(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return mO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?mO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function mO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0){var p,h=fO(a);try{for(h.s();!(p=h.n()).done;){var f=p.value,m=u.J41.findFunctionalGroupByAtom(o,f);null===m||c.includes(m)||c.push(m)}}catch(n){h.e(n)}finally{h.f()}this.editor.event.removeFG.dispatch({fgIds:c})}else{if(!(l.length>0))return i&&("atoms"===i.map&&u.eKO.get(null===(e=r.atoms.get(i.id))||void 0===e?void 0:e.label)||"bonds"===i.map)&&("atoms"===i.map?this.attach.atomid=i.id:this.attach.bondid=i.id,this.editor.selection({atoms:[this.attach.atomid],bonds:[this.attach.bondid]}),this.editor.event.attachEdit.dispatch(this.attach)),!0;var v,g=fO(l);try{for(g.s();!(v=g.n()).done;){var b=v.value,y=u.J41.findFunctionalGroupByBond(r,o,b);null===y||c.includes(y)||c.push(y)}}catch(n){g.e(n)}finally{g.f()}this.editor.event.removeFG.dispatch({fgIds:c})}}}]),n}();function gO(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return bO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?bO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function bO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0){var s,d=gO(o);try{for(d.s();!(s=d.n()).done;){var p=s.value,h=u.J41.findFunctionalGroupByAtom(t,p);null===h||a.includes(h)||a.push(h)}}catch(n){d.e(n)}finally{d.f()}this.editor.event.removeFG.dispatch({fgIds:a})}else{if(!(i.length>0)){var f;if("functionalGroups"===(null==r?void 0:r.map)){var m=e.sgroups.get(r.id);f=null==m?void 0:m.getAttachmentAtomId()}var v=this.editor.render;return this.editor.hover(null),this.editor.selection(null),this.dragCtx={xy0:v.page2obj(n),item:void 0===f?r:{map:"atoms",id:f}},this.dragCtx.item||delete this.dragCtx.item,!0}var g,b=gO(i);try{for(b.s();!(g=b.n()).done;){var y=g.value,C=u.J41.findFunctionalGroupByBond(e,t,y);null===C||a.includes(C)||a.push(C)}}catch(n){b.e(n)}finally{b.f()}this.editor.event.removeFG.dispatch({fgIds:a})}}}},{key:"mousemove",value:function(n){var e=this.editor.render.ctab.molecule,t=e.functionalGroups,r=this.editor,o=r.render;if("dragCtx"in this){var i=this.dragCtx,a=o.page2obj(n),l=u.MfV.calcAngle(i.xy0,a);n.ctrlKey||(l=u.MfV.fracAngle(l,null));var c=u.MfV.degrees(l);if(this.editor.event.message.dispatch({info:c+"º"}),!("item"in i)||"atoms"===i.item.map){var s,d,p,h,f;if("action"in i&&i.action.perform(o.ctab),"item"in i&&"atoms"===i.item.map){d=i.item.id,p=r.findItem(n,["atoms"],i.item);var m=r.findItem(n,["functionalGroups"]),v=e.sgroups.get(null==m?void 0:m.id);if(v){var g=v.getAttachmentAtomId();v.isContracted()&&(void 0===g||g===d||(p={id:g,map:"atoms"})),p&&p.id!==g&&(this.editor.event.removeFG.dispatch({fgIds:[v.id]}),p=null)}}else{var b;d=this.atomProps,h=i.xy0;var y=[],C=[];if((p=r.findItem(n,["atoms","functionalGroups"]))&&"atoms"===p.map&&t.size&&this.dragCtx){var O=u.J41.atomsInFunctionalGroup(t,p.id);null!==O&&y.push(O)}else if("functionalGroups"===(null===(b=p)||void 0===b?void 0:b.map)){var w=e.functionalGroups.get(p.id);if(!u.j1n.isSaltOrSolvent((null==w?void 0:w.name)||"")){var S=null==w?void 0:w.relatedSGroup.getAttachmentAtomId();p=void 0===S?null:{map:"atoms",id:S}}}if(y.length>0){var j,M=gO(y);try{for(M.s();!(j=M.n()).done;){var E=j.value,A=u.J41.findFunctionalGroupByAtom(t,E);null!==A&&!C.includes(A)&&C.push(A)}}catch(n){M.e(n)}finally{M.f()}}if(C.length>0)return this.editor.event.removeFG.dispatch({fgIds:C}),void delete this.dragCtx}var D=Number.MAX_VALUE;if("atoms"===(null===(s=p)||void 0===s?void 0:s.map))p=p.id;else{p=this.atomProps;var P=o.page2obj(n);if(D=u.Sgu.dist(i.xy0,P),h)f=u.MfV.calcNewAtomPos(h,P,n.ctrlKey);else{var N=o.ctab.molecule.atoms.get(d);f=u.MfV.calcNewAtomPos(N.pp.get_xy0(),P,n.ctrlKey)}}if(D>.3){var $=this.getExistingBond(e,d,p),k=(0,x.Z)($,2),I=k[0],T=k[1];i.action=(0,u.QXZ)(o.ctab,this.bondProps,d,p,h,f)[0],null!==I&&(this.dragCtx.existedBond=T,this.dragCtx.action.mergeWith((0,u.k_5)(o.ctab,I)))}else delete i.action;return this.restoreBondWhenHoveringOnCanvas(n),this.editor.update(i.action,!0),!0}}return this.editor.hover(this.editor.findItem(n,["atoms","bonds","functionalGroups"]),null,n),!0}},{key:"mouseup",value:function(n){if("dragCtx"in this){var e=this.dragCtx,t=this.editor.render,r=t.ctab.molecule;if("action"in e)this.restoreBondWhenHoveringOnCanvas(n),this.editor.update(e.action);else if("item"in e){if("atoms"===e.item.map)this.editor.update((0,u.QXZ)(t.ctab,this.bondProps,e.item.id,{label:"C"})[0]),delete this.dragCtx.existedBond;else if("bonds"===e.item.map){var o=Object.assign({},this.bondProps),i=r.bonds.get(e.item.id);this.editor.update((0,u.Mqr)(t.ctab,e.item.id,i,o))}}else{var a=this.editor.options(),l=t.page2obj({clientX:n.clientX+20*a.zoom,clientY:n.clientY-5*a.zoom}),c=new u.Sgu(.5,0).rotate(this.bondProps.type===u.fYe.PATTERN.TYPE.SINGLE?-Math.PI/6:0),s=(0,u.QXZ)(t.ctab,this.bondProps,{label:"C"},{label:"C"},u.Sgu.diff(l,c),u.Sgu.sum(l,c));this.editor.update(s[0])}delete this.dragCtx}return this.editor.event.message.dispatch({info:!1}),this.editor.hover(this.editor.findItem(n,["atoms","bonds"]),null,n),!0}},{key:"restoreBondWhenHoveringOnCanvas",value:function(n){if(this.dragCtx.existedBond&&!this.editor.findItem(n,["atoms"])){var e=this.dragCtx.existedBond,t=e.begin,r=e.end,o=this.dragCtx.item.id===t?r:t;this.dragCtx.action.mergeWith((0,u.QXZ)(this.editor.render.ctab,this.dragCtx.existedBond,this.dragCtx.item.id,o)[0]),delete this.dragCtx.existedBond}}},{key:"getExistingBond",value:function(n,e,t){var r,o=gO(n.bonds.entries());try{for(o.s();!(r=o.n()).done;){var i=(0,x.Z)(r.value,2),a=i[0],l=i[1];if(l.begin===t&&l.end===e||l.begin===e&&l.end===t)return[a,l]}}catch(n){o.e(n)}finally{o.f()}return[null,null]}}]),n}();function CO(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return OO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?OO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function OO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0){var d,p=CO(i);try{for(p.s();!(d=p.n()).done;){var h=d.value,f=u.J41.findFunctionalGroupByAtom(t,h);null===f||l.includes(f)||l.push(f)}}catch(n){p.e(n)}finally{p.f()}this.editor.event.removeFG.dispatch({fgIds:l})}else{if(!(a.length>0)){if(this.editor.hover(null),this.dragCtx={xy0:r.page2obj(n),item:o},o&&"atoms"===o.map&&(this.editor.selection({atoms:[o.id]}),_y(this,r)),"functionalGroups"===(null==o?void 0:o.map)){var m=e.functionalGroups.get(o.id);if(!u.j1n.isSaltOrSolvent((null==m?void 0:m.name)||"")){var v=o.id,g=e.sgroups.get(v),b=null==g?void 0:g.getAttachmentAtomId();this.dragCtx.item={map:"atoms",id:b}}}return this.dragCtx.item||delete this.dragCtx.item,!0}var y,C=CO(a);try{for(C.s();!(y=C.n()).done;){var O=y.value,w=u.J41.findFunctionalGroupByBond(e,t,O);null===w||l.includes(w)||l.push(w)}}catch(n){C.e(n)}finally{C.f()}this.editor.event.removeFG.dispatch({fgIds:l})}}}},{key:"mousemove",value:function(n){var e=this.editor,t=e.render.ctab,r=this.dragCtx;if(e.hover(this.editor.findItem(n,["atoms","bonds","functionalGroups"]),null,n),!r)return!0;if(r&&r.stopTapping&&r.stopTapping(),e.selection(null),!r.item||"atoms"===r.item.map){var o;r.action&&r.action.perform(t);var i=t.molecule.atoms,a=r.item?null===(o=i.get(r.item.id))||void 0===o?void 0:o.pp:r.xy0,l=e.render.page2obj(n),c=Math.ceil(u.Sgu.diff(l,a).length()),s=n.ctrlKey?u.MfV.calcAngle(a,l):u.MfV.fracAngle(a,l),d=(0,u.bDx)(t,a,s,c,r.item?r.item.id:null),p=(0,x.Z)(d,2),h=p[0],f=p[1];return e.event.message.dispatch({info:c+" sectors"}),r.action=h,e.update(r.action,!0),r.mergeItems=(0,u.z8H)(e,f),e.hover((0,u.QOv)(r.mergeItems)),!0}return!0}},{key:"mouseup",value:function(){var n,e=this.editor.render.ctab,t=e.molecule,r=t.functionalGroups,o=[],i=[];if(this.dragCtx&&this.dragCtx.mergeItems&&r.size&&(n=this.dragCtx.mergeItems.atoms.values().next().value),n){var a=u.J41.atomsInFunctionalGroup(r,n);null!==a&&o.push(a)}if(!(o.length>0)){var l=this.dragCtx;if(!l)return!0;delete this.dragCtx;var c=this.editor;if(l.stopTapping&&l.stopTapping(),!l.action&&l.item&&"bonds"===l.item.map){var s=t.bonds.get(l.item.id);l.action=(0,u.Mqr)(e,l.item.id,s,{type:u.fYe.PATTERN.TYPE.SINGLE,stereo:u.fYe.PATTERN.STEREO.NONE})}else l.action=l.action?(0,u.ghY)(e,l.mergeItems).mergeWith(l.action):(0,u.ghY)(e,l.mergeItems);return c.selection(null),c.hover(null),l.action&&c.update(l.action),c.event.message.dispatch({info:!1}),!0}var d,p=CO(o);try{for(p.s();!(d=p.n()).done;){var h=d.value,f=u.J41.findFunctionalGroupByAtom(r,h);null===f||i.includes(f)||i.push(f)}}catch(n){p.e(n)}finally{p.f()}this.editor.event.removeFG.dispatch({fgIds:i})}},{key:"cancel",value:function(){this.mouseup()}},{key:"mouseleave",value:function(){this.mouseup()}}]),n}();function SO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0))return l&&"atoms"===l.map&&u.eKO.get(null===(e=o.atoms.get(l.id))||void 0===e?void 0:e.label)&&(this.editor.hover(l),this.editor.update((0,u.dBq)(a.ctab,l.id,{charge:(null===(t=o.atoms.get(l.id))||void 0===t?void 0:t.charge)+this.charge},null))),!0;var p,h=function(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return SO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?SO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}(c);try{for(h.s();!(p=h.n()).done;){var f=p.value,m=u.J41.findFunctionalGroupByAtom(i,f);null===m||s.includes(m)||s.push(m)}}catch(n){h.e(n)}finally{h.f()}this.editor.event.removeFG.dispatch({fgIds:s})}}]),n}(),xO=function(){function n(e){(0,c.Z)(this,n);var t=e.selection();this.editor=e,this.isNotActiveTool=!0,this.stereoAtoms=(0,u.f0f)(e.struct(),t?t.atoms||[]:Array.from(e.struct().atoms.keys())),0!==this.stereoAtoms.length&&n.changeAtomsStereoAction(this.editor,this.stereoAtoms).then((function(n){return n&&e.update(n)}))}return(0,s.Z)(n,null,[{key:"changeAtomsStereoAction",value:function(n,e){var t=n.struct(),r=n.render.ctab,o=e.map((function(n){var e=t.atoms.get(n);return e&&e.stereoLabel})),i=o.some((function(n){return n!==o[0]}));return n.event.enhancedStereoEdit.dispatch({stereoLabel:i?null:o[0]}).then((function(n){if(!n)return null;var o=e.reduce((function(n,e){var o;return n.mergeWith((0,u.Eps)(r,null===(o=t.atoms.get(e))||void 0===o?void 0:o.fragment))}),(0,u.dBq)(r,e,{stereoLabel:n},!1));return o.operations.reverse(),o}))}}]),n}();function MO(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return EO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?EO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function EO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0){var _,B=MO(l);try{for(B.s();!(_=B.n()).done;){var L=_.value,V=u.J41.findFunctionalGroupByAtom(o,L);null!==V&&!s.includes(V)&&s.push(V)}}catch(n){B.e(n)}finally{B.f()}}if(c.length>0){var R,z=MO(c);try{for(z.s();!(R=z.n()).done;){var F=R.value,G=u.J41.findFunctionalGroupByBond(r,o,F);null!==G&&!s.includes(G)&&s.push(G)}}catch(n){z.e(n)}finally{z.f()}}if(s.length>0){var H=[];s.forEach((function(n){var e;(null===(e=t.get(n))||void 0===e||null===(e=e.item)||void 0===e?void 0:e.atoms).forEach((function(e){!l.includes(e)&&!H.includes(n)&&H.push(n)}))})),H.length>0&&(this.editor.selection(null),this.editor.event.removeFG.dispatch({fgIds:H}),this.lassoHelper.cancel())}var Z=this.editor.render;if(this.lassoHelper.running()){var K=a.atoms.length>0?pC(this.lassoHelper.end(),a,!1):this.lassoHelper.end();this.editor.update((0,u.nHA)(Z.ctab,K)),this.editor.selection(null)}}},{key:"click",value:function(n){var e=this.editor.render,t=e.ctab,r=t.sgroups,o=t.molecule,i=o.functionalGroups,a=this.editor.findItem(n,this.maps),l=[],c=[],s=[];if(a&&i&&"functionalGroups"===a.map&&!u.J41.isContractedFunctionalGroup(a.id,i)){var d=r.get(a.id);u.J41.isFunctionalGroup(null==d?void 0:d.item)&&s.push(a.id)}else if(a&&i&&"atoms"===a.map){var p,h=u.J41.atomsInFunctionalGroup(i,a.id),f=null!==h&&(null===(p=t.atoms.get(h))||void 0===p?void 0:p.a);f&&!u.J41.isAtomInContractedFunctionalGroup(f,r,i,!0)&&l.push(h)}else if(a&&i&&"bonds"===a.map){var m,v=u.J41.bondsInFunctionalGroup(o,i,a.id),g=null!==v&&(null===(m=t.bonds.get(v))||void 0===m?void 0:m.b);g&&!u.J41.isBondInContractedFunctionalGroup(g,r,i)&&c.push(v)}else if(i&&"rgroupAttachmentPoints"===(null==a?void 0:a.map)){var b=u.J41.isRGroupAttachmentPointInsideFunctionalGroup(o,a.id);null!==b&&l.push(b)}if(l.length){var y,C=MO(l);try{for(C.s();!(y=C.n()).done;){var w=y.value,S=u.J41.findFunctionalGroupByAtom(i,w);null===S||s.includes(S)||s.push(S)}}catch(n){C.e(n)}finally{C.f()}}else if(c.length){var j,x=MO(c);try{for(x.s();!(j=x.n()).done;){var M=j.value,E=u.J41.findFunctionalGroupByBond(o,i,M);null===E||s.includes(E)||s.push(E)}}catch(n){x.e(n)}finally{x.f()}}if(s.length)this.editor.event.removeFG.dispatch({fgIds:s});else if(a){if(this.editor.hover(null),"atoms"===a.map)this.editor.update((0,u.RmL)(t,a.id));else if("bonds"===a.map)this.editor.update((0,u.k_5)(t,a.id));else if("functionalGroups"===a.map&&u.J41.isContractedFunctionalGroup(a.id,i)){var A=r.get(a.id);this.editor.update((0,u.nHA)(e.ctab,{atoms:(0,O.Z)(u.j1n.getAtoms(o,null==A?void 0:A.item)),bonds:(0,O.Z)(u.j1n.getBonds(o,null==A?void 0:A.item))}))}else if("sgroups"===a.map||"sgroupData"===a.map){var D=r.get(a.id);u.J41.isFunctionalGroup(null==D?void 0:D.item)?this.editor.event.removeFG.dispatch({fgIds:[a.id]}):this.editor.update((0,u.U9$)(t,a.id))}else if("rxnArrows"===a.map)this.editor.update((0,u.OAk)(t,a.id));else if("rxnPluses"===a.map)this.editor.update((0,u.QqH)(t,a.id));else if("simpleObjects"===a.map)this.editor.update((0,u.ltA)(t,a.id));else if("texts"===a.map)this.editor.update((0,u.NmG)(t,a.id));else{if("rgroupAttachmentPoints"!==a.map)return;this.editor.update((0,u.MZv)(t,a.id))}this.editor.selection(null)}}},{key:"mouseleave",value:function(){this.mouseup()}},{key:"cancel",value:function(){this.lassoHelper.running()&&this.lassoHelper.end(),this.editor.selection(null)}}]),n}(),DO=function(){function n(e){(0,c.Z)(this,n),(0,r.Z)(this,"begPos",null),(0,r.Z)(this,"endPos",null),this.editor=e;var t=this.editor.lastEvent||{clientX:0,clientY:0},o=t.clientX,i=t.clientY;this.editor.event.cursor.dispatch({status:"enable",cursorPosition:{clientX:o,clientY:i}})}return(0,s.Z)(n,[{key:"mousedown",value:function(n){var e=n.clientX,t=n.clientY;this.begPos=new u.Sgu(e,t)}},{key:"mousemove",value:function(n){if(this.editor.event.cursor.dispatch({status:"move"}),this.editor.hover(this.editor.findItem(n,["atoms","bonds"],null),null,n),null!=this.begPos){var e=n.clientX,t=n.clientY;this.endPos=new u.Sgu(e,t);var r=this.editor.render,o=u.Sgu.diff(this.endPos,this.begPos).scaled(1/this.editor.zoom());this.begPos=this.endPos,r.ctab.translate(o),r.options.offset=r.options.offset.add(o),r.update(!1)}}},{key:"mouseup",value:function(n){if(null!==this.begPos){var e=this.editor.render;this.endPos=e.page2obj(n),this.begPos=null,this.endPos=null,e.update(!1)}}},{key:"mouseover",value:function(){this.editor.event.cursor.dispatch({status:"mouseover"})}},{key:"mouseLeaveClientArea",value:function(){this.begPos=null,this.endPos=null,this.editor.event.cursor.dispatch({status:"leave"})}},{key:"cancel",value:function(){this.editor.event.cursor.dispatch({status:"disable"})}}]),n}();function PO(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function NO(n){for(var e=1;en.length)&&(e=n.length);for(var t=0,r=new Array(e);t0)){if(!r)return this.editor.hover(null),TO(this.editor,null,t.page2obj(n)),!0;if("atoms"===r.map){var l=this.editor.render.ctab.molecule.atoms.get(r.id);if(this.editor.hover(this.editor.findItem(n,["atoms"]),null,n),null!==(null==l?void 0:l.attachmentPoints))return;return TO(this.editor,r.id,null),!0}return!0}var c,s=function(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return kO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?kO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}(o);try{for(s.s();!(c=s.n()).done;){var d=c.value,p=u.J41.findFunctionalGroupByAtom(e,d);null===p||i.includes(p)||i.push(p)}}catch(n){s.e(n)}finally{s.f()}this.editor.event.removeFG.dispatch({fgIds:i})}}]),n}();function TO(n,e,t){var r=n.render.ctab.molecule,o=e||0===e?r.atoms.get(e):null,i=o?o.rglabel:0,a=o?o.label:"R#",l=n.event.elementEdit.dispatch({label:"R#",rglabel:i,fragId:o?o.fragment:null});Promise.resolve(l).then((function(r){r=Object.assign({},u.hgN.attrlist,r),!e&&0!==e&&r.rglabel?n.update((0,u.f8s)(n.render.ctab,t,r)):i!==r.rglabel&&(r.aam=o.aam,r.attachmentPoints=o.attachmentPoints,r.rglabel||"R#"===a||(r.label=a),n.update((0,u.dBq)(n.render.ctab,e,r,!1)))})).catch((function(){return null}))}function _O(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return BO(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?BO(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}function BO(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t0){var h,f=_O(l);try{for(f.s();!(h=f.n()).done;){var m=h.value,v=u.J41.findFunctionalGroupByAtom(r,m);null===v||s.includes(v)||s.push(v)}}catch(n){f.e(n)}finally{f.f()}this.editor.event.removeFG.dispatch({fgIds:s})}else{if(!(c.length>0)){if(!i)return!0;this.editor.hover(null);var g="rgroups"===i.map?i.id:u.vfe.findRGroupByFragment(t.rgroups,i.id),b=Object.assign({label:g},"frags"===i.map?{fragId:i.id}:t.rgroups.get(i.id)),y=o.event.rgroupEdit.dispatch(b);return Promise.resolve(y).then((function(n){var t;if("rgroups"!==i.map){var r=u.vfe.findRGroupByFragment(e.molecule.rgroups,i.id);t=(0,u.GoV)(e,n.label,i.id).mergeWith((0,u.Dps)(e,n.label,r))}else t=(0,u.dmV)(e,i.id,n);o.update(t)})).catch((function(){return null})),!0}var C,O=_O(c);try{for(O.s();!(C=O.n()).done;){var w=C.value,S=u.J41.findFunctionalGroupByBond(t,r,w);null===S||s.includes(S)||s.push(S)}}catch(n){O.e(n)}finally{O.f()}this.editor.event.removeFG.dispatch({fgIds:s})}}},{key:"cancel",value:function(){this.editor.hover(null)}}]),n}(),VO=function(){function n(e,t){(0,c.Z)(this,n),this.mode=t,this.editor=e,this.editor.selection(null)}return(0,s.Z)(n,[{key:"render",get:function(){return this.editor.render}},{key:"reStruct",get:function(){return this.render.ctab}},{key:"mousedown",value:function(n){var e=this.render.page2obj(n);this.dragCtx={p0:e};var t=this.editor.findItem(n,["rxnArrows"]);t&&"rxnArrows"===t.map?(this.editor.hover(null),this.editor.selection({rxnArrows:[t.id]}),this.dragCtx.ci=t):(this.dragCtx.isNew=!0,this.editor.selection(null))}},{key:"mousemove",value:function(n){if(this.dragCtx){var e=this.render.page2obj(n),t=e.sub(this.dragCtx.p0);if(this.dragCtx.ci){if(this.dragCtx.itemId=this.dragCtx.ci.id,this.dragCtx.action&&this.dragCtx.action.perform(this.reStruct),this.dragCtx.ci.ref){this.updateResizingState(this.dragCtx.itemId,!0);var r=!n.ctrlKey;this.dragCtx.action=(0,u.gHo)(this.reStruct,this.dragCtx.itemId,t,e,this.dragCtx.ci.ref,r)}else this.dragCtx.action=(0,u.DYm)(this.reStruct,this.editor.selection()||{},t);this.editor.update(this.dragCtx.action,!0)}else{if(this.dragCtx.action)this.dragCtx.action.perform(this.reStruct);else{var o=(0,u.OnW)(this.reStruct,[this.dragCtx.p0,this.dragCtx.p0],this.mode),i=o.operations[0];this.dragCtx.itemId=i.data.id,this.dragCtx.action=o,this.editor.update(this.dragCtx.action,!0)}this.updateResizingState(this.dragCtx.itemId,!0);var a=!n.ctrlKey;this.dragCtx.action=(0,u.gHo)(this.reStruct,this.dragCtx.itemId,t,e,null,a),this.editor.update(this.dragCtx.action,!0)}}else{var l=this.editor.findItem(n,["rxnArrows"]);this.editor.hover(l,null,n),eC(l,this.editor.render.paper.canvas,this.editor.render.options.movingStyle.cursor)}}},{key:"mouseup",value:function(n){return!this.dragCtx||(this.dragCtx.action?(this.dragCtx.isNew?this.addNewArrowWithDragging():(this.updateResizingState(this.dragCtx.itemId,!1),this.editor.update(!0)),this.editor.update(this.dragCtx.action)):this.addNewArrowWithClicking(n),delete this.dragCtx,!0)}},{key:"addNewArrowWithDragging",value:function(){var n=this.reStruct.molecule.rxnArrows.get(this.dragCtx.itemId);Uv(null!=n);var e=(0,x.Z)(n.pos,2),t=e[0],r=e[1];r=RO(t,r),this.editor.update((0,u.OAk)(this.reStruct,this.dragCtx.itemId),!0),this.dragCtx.action=(0,u.OnW)(this.reStruct,[t,r],this.mode)}},{key:"addNewArrowWithClicking",value:function(n){var e=this.editor.findItem(n,["rxnArrows"]),t=this.render.page2obj(n);if(!e){var r=[t,RO(t,null)];this.editor.update((0,u.OnW)(this.reStruct,r,this.mode))}}},{key:"updateResizingState",value:function(n,e){var t=this.reStruct.rxnArrows.get(n);Uv(null!=t),t.isResizing=e}}]),n}();function RO(n,e){if(!e)return new u.Sgu(n.x+2,n.y);var t,r,o,i,a,l,c=(t=n.x,r=n.y,o=e.x,i=e.y,a=Math.sqrt(Math.pow(o-t,2)+Math.pow(i-r,2)),l=function(n,e,t,r){var o=n-t,i=e-r;return o||i?(180+180*Math.atan2(-i,-o)/Math.PI+360)%360:0}(o,i,t,r),{length:a,angle:l});if(c.length<=1.5){var s=new u.Sgu;return s.x=n.x+2*Math.cos(Math.PI*c.angle/180),s.y=n.y+2*Math.sin(Math.PI*c.angle/180),s}return e}var zO=function(){function n(e){(0,c.Z)(this,n),this.editor=e,this.editor.selection(null)}return(0,s.Z)(n,[{key:"mousedown",value:function(n){var e=this.editor.render,t=this.editor.findItem(n,["atoms"]);"atoms"===(null==t?void 0:t.map)&&(this.editor.hover(null),this.dragCtx={item:t,xy0:e.page2obj(n)})}},{key:"mousemove",value:function(n){var e=this.editor,t=e.render;if("dragCtx"in this){var r,o,i,a=this.editor.findItem(n,["atoms"],this.dragCtx.item),l=t.ctab.molecule.atoms;"atoms"===(null==a?void 0:a.map)?(e.hover(a),this.updateLine(null===(r=l.get(this.dragCtx.item.id))||void 0===r?void 0:r.pp,null===(o=l.get(a.id))||void 0===o?void 0:o.pp)):(e.hover(null),this.updateLine(null===(i=l.get(this.dragCtx.item.id))||void 0===i?void 0:i.pp,t.page2obj(n)))}else e.hover(e.findItem(n,["atoms"]),null,n)}},{key:"updateLine",value:function(n,e){if(this.line&&(this.line.remove(),this.line=null),n&&e){var t=this.editor.render;this.line=t.selectionLine(u.Ciz.obj2scaled(n,t.options).add(t.options.offset),u.Ciz.obj2scaled(e,t.options).add(t.options.offset))}}},{key:"mouseup",value:function(n){var e=this;if("dragCtx"in this){var t=this.editor.render,r=this.editor.findItem(n,["atoms"]);if("atoms"===(null==r?void 0:r.map)){var o=new u.aUM,i=t.ctab.molecule.atoms,a=i.get(this.dragCtx.item.id),l=i.get(r.id),c=null==a?void 0:a.aam,s=null==l?void 0:l.aam;if(!c||c!==s){if((c&&c!==s||!c&&s)&&i.forEach((function(n,r){r!==e.dragCtx.item.id&&(c&&n.aam===c||s&&n.aam===s)&&o.mergeWith((0,u.dBq)(t.ctab,r,{aam:0},null))})),c)o.mergeWith((0,u.dBq)(t.ctab,r.id,{aam:c},null));else{var d=0;i.forEach((function(n){d=Math.max(d,n.aam||0)})),o.mergeWith((0,u.dBq)(t.ctab,this.dragCtx.item.id,{aam:d+1},null)),o.mergeWith((0,u.dBq)(t.ctab,r.id,{aam:d+1},null))}this.editor.update(o)}}this.updateLine(null,null),delete this.dragCtx}this.editor.hover(this.editor.findItem(n,["atoms"]),null,n)}}]),n}(),FO=function(){function n(e){(0,c.Z)(this,n),this.editor=e,this.editor.selection(null)}return(0,s.Z)(n,[{key:"mousedown",value:function(n){var e=this.editor.render,t=this.editor.findItem(n,["rxnPluses"]);t&&"rxnPluses"===t.map&&(this.editor.hover(null),this.editor.selection({rxnPluses:[t.id]}),this.dragCtx={xy0:e.page2obj(n)})}},{key:"mousemove",value:function(n){var e=this.editor,t=e.render;if("dragCtx"in this)this.dragCtx.action&&this.dragCtx.action.perform(t.ctab),this.dragCtx.action=(0,u.DYm)(t.ctab,this.editor.selection()||{},t.page2obj(n).sub(this.dragCtx.xy0)),e.update(this.dragCtx.action,!0);else{var r=e.findItem(n,["rxnPluses"]);e.hover(r,null,n),eC(r,e.render.paper.canvas,e.render.options.movingStyle.cursor)}}},{key:"mouseup",value:function(){return!this.dragCtx||(this.dragCtx.action&&this.editor.update(this.dragCtx.action),delete this.dragCtx,!0)}},{key:"click",value:function(n){var e=this.editor.render;this.editor.findItem(n,["rxnPluses"])||this.editor.update((0,u.v$W)(e.ctab,e.page2obj(n)))}}]),n}(),GO=function(){function n(e){(0,c.Z)(this,n),this.editor=e,this.editor.selection(null)}return(0,s.Z)(n,[{key:"mousemove",value:function(n){var e,t=this.editor.findItem(n,["atoms"]);t&&"atoms"===t.map?this.editor.hover(null!==(e=this.editor.render.ctab.molecule.atoms.get(t.id))&&void 0!==e&&e.aam?t:null,null,n):this.editor.hover(null)}},{key:"mouseup",value:function(n){var e,t=this,r=this.editor.findItem(n,["atoms"]),o=this.editor.render.ctab.molecule.atoms;if(r&&"atoms"===r.map&&null!==(e=o.get(r.id))&&void 0!==e&&e.aam){var i,a=new u.aUM,l=null===(i=o.get(r.id))||void 0===i?void 0:i.aam;o.forEach((function(n,e){n.aam===l&&a.mergeWith((0,u.dBq)(t.editor.render.ctab,e,{aam:0},null))})),this.editor.update(a)}this.editor.hover(this.editor.findItem(n,["atoms"]),null,n)}}]),n}();function HO(n){var e=n%(2*Math.PI);return e>Math.PI?e-2*Math.PI:e<=-Math.PI?e+2*Math.PI:e}function ZO(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}var KO=[Math.PI/2,-Math.PI/2,2*Math.PI/3,-2*Math.PI/3,Math.PI],UO=Math.PI/18,YO=Math.PI/9,JO=function(){function n(e,t){var o=this;if((0,c.Z)(this,n),(0,r.Z)(this,"isNotActiveTool",!0),(0,r.Z)(this,"snapInfo",null),(0,r.Z)(this,"mousemove",(0,D.throttle)((function(n){if(!o.dragCtx)return o.editor.hover(null,null,n),!0;var e=o.dragCtx,t=o.editor.render.page2obj(n),r=u.MfV.calcAngle(e.xy0,t)-e.angle1,i=r;if(o.reStruct.clearSnappingBonds(),o.snapInfo&&(o.snapInfo.snapAngleDrawingProps=null),!n.ctrlKey){var a=o.snap(r),l=(0,x.Z)(a,2),c=l[0],s=l[1];i=c?s:u.MfV.fracAngle(r,null)}var d=u.MfV.degrees(i);if("angle"in e&&e.angle===d)return!0;"action"in e&&e.action.perform(o.reStruct),e.angle=d,e.action=(0,u.TPF)(o.reStruct,o.selection,e.xy0,i),o.editor.event.message.dispatch({info:d+"º"});var p=o.editor.explicitSelected();return e.mergeItems=(0,u.z8H)(o.editor,p),o.editor.hover((0,u.QOv)(e.mergeItems),null,n),o.editor.update(e.action,!0),!0}),40)),this.editor=e,t){var i=this.getCenter(),a=this.reStruct.getVBoxObj().centre(),l=(0,u.Hlm)(this.reStruct,this.selection,t,i||a);e.update(l),e.rotateController.rerender()}}return(0,s.Z)(n,[{key:"reStruct",get:function(){return this.editor.render.ctab}},{key:"struct",get:function(){return this.reStruct.molecule}},{key:"selection",get:function(){return this.editor.selection()}},{key:"snapAngleDrawingProps",get:function(){var n;return null!==(n=this.snapInfo)&&void 0!==n&&n.snapAngleDrawingProps?function(n){for(var e=1;e1){var o=[];r.forEach((function(n){o.push([n.begin,n.end])}));var i,a=D.intersection.apply(void 0,o);1===a.length&&t.includes(a[0])&&(this.centerAtomId=a[0],e=null===(i=this.struct.atoms.get(this.centerAtomId))||void 0===i?void 0:i.pp)}else if(1===r.size){var l,c=r.keys().next().value,s=r.get(c);this.centerAtomId=[s.begin,s.end].find((function(e){var r;return null!==(r=n.selection)&&void 0!==r&&null!==(r=r.bonds)&&void 0!==r&&r.includes(c)?!t.includes(e):t.includes(e)})),e=null===(l=this.struct.atoms.get(this.centerAtomId))||void 0===l?void 0:l.pp}var d=this.selection,p=d.texts,h=d.rxnArrows,f=d.rxnPluses;return!e&&(t.length||null!=p&&p.length||null!=h&&h.length||null!=f&&f.length)&&(e=this.reStruct.getSelectionBoxCenter({atoms:t,texts:p,rxnArrows:h,rxnPluses:f})),e}}},{key:"mouseup",value:function(){if(!this.dragCtx)return!0;this.reStruct.clearSnappingBonds(),this.editor.update(!0);var n=this.dragCtx,e=n.action?(0,u.ghY)(this.reStruct,n.mergeItems).mergeWith(n.action):(0,u.ghY)(this.reStruct,n.mergeItems);return delete this.dragCtx,this.editor.update(e),n.mergeItems&&this.editor.selection(null),this.editor.event.message.dispatch({info:!1}),!0}},{key:"cancel",value:function(){this.mouseup()}},{key:"mouseleave",value:function(){this.mouseup()}},{key:"initSnapInfo",value:function(){if(void 0!==this.centerAtomId){var n=this.struct.atoms.get(this.centerAtomId);Uv(null!=n);var e=this.partitionNeighborsBySelection(this.selection,n),t=e.rotatableHalfBondIds,r=e.rotatableHalfBondAngles,o=e.fixedHalfBondIds,i=e.fixedHalfBondAngles;if(t.length>1)this.snapInfo=null;else{var a=t[0],l=r[0],c=this.calculateAbsoluteSnapAngles(o,i,a),s=c.absoluteSnapAngles,u=c.snapAngleToHalfBonds,d=c.snapMode;this.snapInfo={snapMode:d,rotatableHalfBondAngle:l,absoluteSnapAngles:s,snapAngleToHalfBonds:u,snapAngleDrawingProps:null}}}else this.snapInfo=null}},{key:"calculateAbsoluteSnapAngles",value:function(n,e,t){var r="one-bond",o=[],i=new Map;if(1===n.length){var a=n[0],l=e[0],c=this.calculateAbsoluteAnglesByFixedBond(a,l,t),s=(0,x.Z)(c,2);o=s[0],i=s[1]}else if(n.length>1){r="multiple-bonds";var u=this.calculateAbsoluteAnglesByBisector(n,e,t),d=(0,x.Z)(u,2);o=d[0],i=d[1]}return{absoluteSnapAngles:o,snapAngleToHalfBonds:i,snapMode:r}}},{key:"calculateAbsoluteAnglesByFixedBond",value:function(n,e,t){var r=[],o=new Map;return KO.forEach((function(i){var a=HO(e+i);r.push(a),o.set(a,[t,n])})),[r,o]}},{key:"calculateAbsoluteAnglesByBisector",value:function(n,e,t){for(var r=[],o=new Map,i=n.length,a=0;aMath.PI?h:HO(h+Math.PI);r.push(f),o.set(f,[t,l,u])}return[r,o]}},{key:"partitionNeighborsBySelection",value:function(n,e){var t=this,r=[],o=[],i=[],a=[];return e.neighbors.forEach((function(e){var l,c=t.struct.halfBonds.get(e);Uv(null!=c);var s=c.end;null!=n&&null!==(l=n.atoms)&&void 0!==l&&l.includes(s)?u.J41.isHalfBondInContractedFunctionalGroup(c,t.struct)||(r.push(e),o.push(c.ang)):(i.push(e),a.push(c.ang))})),{rotatableHalfBondIds:r,rotatableHalfBondAngles:o,fixedHalfBondIds:i,fixedHalfBondAngles:a}}},{key:"snap",value:function(n){var e=this,t=!1,r=0;if(!this.snapInfo)return[t,r];var o=HO(this.snapInfo.rotatableHalfBondAngle+n);return this.snapInfo.absoluteSnapAngles.some((function(n,i){return Math.abs(o-n)<=UO?(t=!0,Uv(null!=e.snapInfo),r=n-e.snapInfo.rotatableHalfBondAngle,e.saveSnappingBonds(n),e.snapInfo.snapAngleDrawingProps={isSnapping:t,absoluteAngle:n,relativeAngle:KO[i]},!0):Math.abs(o-n)=0){var d,p=null===(d=n.loops.get(s))||void 0===d?void 0:d.hbs;null==p||p.forEach((function(e){var t,r=null===(t=n.halfBonds.get(e))||void 0===t?void 0:t.begin;if(r){var o=n.atoms.get(r);o&&(i.add_(o.pp),c++)}}))}else l.forEach((function(e){var t=n.atoms.get(e);t&&(i.add_(t.pp),c++)}));var h=i.scaled(1/c);return ow(n,e,h)||1}function nw(n,e,t){var r,o,i=null===(r=t.atoms.get(e.id))||void 0===r?void 0:r.a.neighbors.length;if(i&&i>1)o=null;else if(1===i){var a,l=t.molecule.atoms.get(e.id),c=l&&(null===(a=t.molecule.halfBonds.get(l.neighbors[0]))||void 0===a?void 0:a.end),s=(c||0===c)&&t.molecule.atoms.get(c);o=n.ctrlKey?u.MfV.calcAngle(null==s?void 0:s.pp,null==l?void 0:l.pp):u.MfV.fracAngle(u.MfV.calcAngle(s.pp,null==l?void 0:l.pp),null)}else o=0;return o}function ew(n){return"".concat(n.id,"-").concat(n.map)}var tw=function(){function n(e,t){(0,c.Z)(this,n),(0,r.Z)(this,"previewTimeout",null),(0,r.Z)(this,"targetGroupsIds",[]),this.editor=e,this.isPreviewVisible=!1,this.previewRemoveAction=new u.aUM,this.previewTimeout=null,this.lastPreviewId=null,this.mode=function(n){var e;return n.mode?n.mode:["Functional Groups","Salts and Solvents"].includes(null===(e=n.props)||void 0===e?void 0:e.group)?te:null}(t),this.editor.selection(null),this.isSaltOrSolvent=u.j1n.isSaltOrSolvent(t.struct.name);var o=t.struct.sgroups.values().next().value;this.template={aid:parseInt(t.aid)||(null==o?void 0:o.getAttachmentAtomId())||0,bid:parseInt(t.bid)||0};var i=t.struct;i.rescale();var a=new u.Sgu;i.atoms.forEach((function(n){a.add_(n.pp)})),this.template.molecule=i,this.findItems=[],this.template.xy0=a.scaled(1/(i.atoms.size||1));var l=i.atoms.get(this.template.aid);l&&(this.template.angle0=u.MfV.calcAngle(l.pp,this.template.xy0),this.findItems.push("atoms"));var s=i.bonds.get(this.template.bid);s&&!this.isModeFunctionalGroup&&(this.template.sign=ow(i,s,this.template.xy0),this.findItems.push("bonds")),i.sgroups.size&&this.findItems.push("functionalGroups"),e.hoverIcon.label=t.struct.name,e.hoverIcon.fill="#000000",e.hoverIcon.show(),e.hoverIcon.updatePosition()}var e;return(0,s.Z)(n,[{key:"struct",get:function(){return this.editor.render.ctab.molecule}},{key:"functionalGroups",get:function(){return this.struct.functionalGroups}},{key:"isModeFunctionalGroup",get:function(){return this.mode===te}},{key:"closestItem",get:function(){return this.editor.findItem(this.event,["atoms","bonds","sgroups","functionalGroups"])}},{key:"isNeedToShowRemoveAbbreviationPopup",get:function(){var n,e,t=this.findKeyOfRelatedGroupId(null===(n=this.closestItem)||void 0===n?void 0:n.id),r=null===(e=this.functionalGroups.get(t))||void 0===e?void 0:e.isExpanded,o=this.targetGroupsIds.length&&!this.isModeFunctionalGroup;return Boolean(r||o)}},{key:"findKeyOfRelatedGroupId",value:function(n){var e,t=u.J41.findFunctionalGroupByAtom(this.functionalGroups,n);return this.functionalGroups.forEach((function(n,r){n.relatedSGroupId===t&&(e=r)})),e}},{key:"showRemoveAbbreviationPopup",value:function(){var n=this;return this.editor.event.removeFG.dispatch({fgIds:this.targetGroupsIds}).then((function(){return n.targetGroupsIds.length=0,Promise.resolve()}))}},{key:"mousedown",value:(e=(0,i.Z)(l().mark((function n(e){var t,r,o,i,a,c;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:if(this.event=e,this.hidePreview(),this.functionalGroups.size&&(this.targetGroupsIds=ky(this.struct,XO(XO({},"atoms"===(null===(t=this.closestItem)||void 0===t?void 0:t.map)&&{atoms:[this.closestItem.id]}),"bonds"===(null===(r=this.closestItem)||void 0===r?void 0:r.map)&&{bonds:[this.closestItem.id]})),"functionalGroups"===(null===(o=this.closestItem)||void 0===o?void 0:o.map)&&u.J41.isContractedFunctionalGroup(this.closestItem.id,this.functionalGroups)&&this.targetGroupsIds.push(this.closestItem.id)),!this.isNeedToShowRemoveAbbreviationPopup){n.next=7;break}return n.next=6,this.showRemoveAbbreviationPopup();case 6:return n.abrupt("return");case 7:if(this.editor.hover(null),this.dragCtx={xy0:this.editor.render.page2obj(e),item:this.editor.findItem(this.event,this.findItems)},i=this.dragCtx,a=i.item){n.next=14;break}return delete i.item,n.abrupt("return");case 14:"bonds"!==a.map||this.isModeFunctionalGroup||(c=this.struct.bonds.get(a.id),i.sign1=QO(this.struct,c),i.sign2=this.template.sign);case 15:case"end":return n.stop()}}),n,this)}))),function(n){return e.apply(this,arguments)})},{key:"mousemove",value:function(n){var e=this;if(!this.dragCtx){this.editor.hoverIcon.updatePosition(),this.editor.hover(this.editor.findItem(n,this.findItems),null,n);var t=this.editor.render.ctab,r=this.editor.findItem(n,["atoms","bonds"]);r||this.editor.hoverIcon.show();var o=!r,i=r&&this.lastPreviewId!==ew(r);return(o||i)&&(this.hidePreview(),this.editor.hoverIcon.isShown||this.editor.hoverIcon.show()),r&&!this.isSaltOrSolvent&&!this.isPreviewVisible&&!this.previewTimeout&&(this.lastPreviewId=ew(r),this.previewTimeout=setTimeout((function(){e.showPreview(n,r,t)}),300)),!0}if(this.isSaltOrSolvent)return delete this.dragCtx.item,!0;var a=this.dragCtx,l=a.item,c=null,s=this.editor.render.page2obj(n);if(l&&"bonds"===l.map&&!this.isModeFunctionalGroup){var d=this.struct.bonds.get(l.id),p=ow(this.struct,d,s);if(a.sign1*this.template.sign>0&&(p=-p),p!==a.sign2||!a.action){a.action&&a.action.perform(this.editor.render.ctab),a.sign2=p;var h=(0,u.e9t)(this.editor.render.ctab,this.template,l.id,this.editor.event,a.sign1*a.sign2>0,!1),f=(0,x.Z)(h,2),m=f[0],v=f[1];a.action=m,this.editor.update(a.action,!0),a.mergeItems=(0,u.z8H)(this.editor,v),this.editor.hover((0,u.QOv)(a.mergeItems))}return!0}var g=null;if(l){if("atoms"===l.map||"functionalGroups"===l.map){var b=iw(this.struct,l);if(void 0!==b){var y=this.struct.atoms.get(b);(c=null==y?void 0:y.pp)&&(g=!!this.isModeFunctionalGroup||u.Sgu.dist(c,s)>1)}}}else c=a.xy0;if(!c)return!0;var C=u.MfV.calcAngle(c,s);n.ctrlKey||(C=u.MfV.fracAngle(C,null));var O=u.MfV.degrees(C);if(this.editor.event.message.dispatch({info:O+"º"}),a.hasOwnProperty("angle")&&a.angle===O&&(!a.hasOwnProperty("extra_bond")||a.extra_bond===g))return!0;a.action&&a.action.perform(this.editor.render.ctab),a.angle=O;var w,S=null;if(l){if("atoms"===(null==l?void 0:l.map)||"functionalGroups"===(null==l?void 0:l.map)){var j=iw(this.struct,l),M=(0,u.ksM)(this.editor.render.ctab,this.template,j,C,g),E=(0,x.Z)(M,2);S=E[0],w=E[1],a.extra_bond=g}}else{var A;if(null===(A=this.template)||void 0===A||null===(A=A.molecule)||void 0===A?void 0:A.sgroups.size)return!0;var D=(0,u.m81)(this.editor.render.ctab,this.template,c,C),P=(0,x.Z)(D,2);S=P[0],w=P[1]}return a.action=S,this.editor.update(a.action,!0),this.isModeFunctionalGroup||(a.mergeItems=(0,u.z8H)(this.editor,w),this.editor.hover((0,u.QOv)(a.mergeItems))),this.targetGroupsIds.length&&(this.targetGroupsIds.length=0),!0}},{key:"mouseup",value:function(n){var e,t=this,r=this.dragCtx;if(!r)return!0;delete this.dragCtx;var o,i,a=this.editor.render.ctab,l=r.item;if(r.action&&l&&"bonds"===l.map&&!this.isModeFunctionalGroup)return r.action.perform(a),(0,u.e9t)(a,this.template,l.id,this.editor.event,r.sign1*r.sign2>0,!0).then((function(n){var e=(0,x.Z)(n,2),r=e[0],o=e[1],i=(0,u.z8H)(t.editor,o);r=(0,u.ghY)(a,i).mergeWith(r),t.editor.update(r)})),!0;var c=null;if("functionalGroups"===(null===(e=l)||void 0===e?void 0:e.map)&&u.J41.isContractedFunctionalGroup(l.id,this.functionalGroups)&&this.isModeFunctionalGroup&&this.targetGroupsIds.length){var s=this.editor.render.ctab,d=this.struct.sgroups.get(l.id);if(this.isSaltOrSolvent&&d.isGroupAttached(this.struct))return rw(s,this.template,r,this.editor),!0;i=new u.aUM;var p=d.getContractedPosition(s.molecule).atomId,h=u.j1n.getAtoms(this.struct,d).filter((function(n){return n!==p}));i.mergeWith((0,u.U9$)(s,l.id)),i.mergeWith((0,u.nHA)(s,{atoms:h})),l={map:"atoms",id:p}}if(!r.action)if(l){if("atoms"===l.map){var f,m=null===(f=a.atoms.get(l.id))||void 0===f?void 0:f.a.neighbors.length;if(m&&m>=1&&this.isSaltOrSolvent)return rw(a,this.template,r,this.editor),!0;var v=nw(n,l,a),g=(0,u.ksM)(a,this.template,l.id,v,!1),b=(0,x.Z)(g,2);o=b[0],c=b[1],i&&(o=i.mergeWith(o)),r.action=o}else if("bonds"===l.map&&!this.isModeFunctionalGroup)return(0,u.e9t)(a,this.template,l.id,this.editor.event,r.sign1*r.sign2>0,!0).then((function(n){var e=(0,x.Z)(n,2),r=e[0],o=e[1];if(!t.isModeFunctionalGroup){var i=(0,u.z8H)(t.editor,o);r=(0,u.ghY)(a,i).mergeWith(r),t.editor.update(r)}})),!0}else{var y=(0,u.m81)(a,this.template,r.xy0,0),C=(0,x.Z)(y,2);o=C[0],c=C[1],r.action=o}this.editor.selection(null),r.mergeItems||!c||this.isModeFunctionalGroup||(r.mergeItems=(0,u.z8H)(this.editor,c)),r.action=r.action?(0,u.ghY)(a,r.mergeItems).mergeWith(r.action):(0,u.ghY)(a,r.mergeItems);var O=r.action;return O&&!O.isDummy()&&this.editor.update(O),this.editor.hover(this.editor.findItem(n,this.findItems),null,n),this.editor.event.showInfo.dispatch(null),this.editor.event.message.dispatch({info:!1}),!0}},{key:"cancel",value:function(){this.hidePreview(),this.mouseup()}},{key:"mouseleave",value:function(n){this.mouseup(n)}},{key:"hidePreview",value:function(){this.isPreviewVisible&&this.previewRemoveAction&&(this.previewRemoveAction.perform(this.editor.render.ctab),this.previewRemoveAction=null,this.isPreviewVisible=!1,this.editor.render.update()),this.previewTimeout&&(clearTimeout(this.previewTimeout),this.previewTimeout=null)}},{key:"showPreview",value:function(n,e,t){var r=this;if("bonds"!==e.map||this.isModeFunctionalGroup){if("atoms"===e.map){this.isPreviewVisible=!0,this.editor.hoverIcon.hide();var o=nw(n,e,t),i=(0,u.ksM)(t,this.template,e.id,o,!1,!0),a=(0,x.Z)(i,2),l=a[0],c=a[1];if(c&&!this.isModeFunctionalGroup){var s=(0,u.z8H)(this.editor,c);l=(0,u.ghY)(t,s).mergeWith(l)}this.editor.update(l,!0),this.previewRemoveAction=l}}else{this.isPreviewVisible=!0,this.editor.hoverIcon.hide();var d=this.struct.bonds.get(e.id),p=QO(this.struct,d)*this.template.sign>0;(0,u.e9t)(t,this.template,e.id,this.editor.event,p,!0,!0).then((function(n){var e=(0,x.Z)(n,2),o=e[0],i=e[1];if(!r.isModeFunctionalGroup){var a=(0,u.z8H)(r.editor,i);o=(0,u.ghY)(t,a).mergeWith(o),r.editor.update(o,!0),r.previewRemoveAction=o}}))}}}]),n}();function rw(n,e,t,r){var o=(0,u.m81)(n,e,t.xy0,0),i=(0,x.Z)(o,1)[0];r.update(i),r.selection(null),r.hover(null),r.event.message.dispatch({info:!1})}function ow(n,e,t){var r=n.atoms.get(e.begin).pp,o=n.atoms.get(e.end).pp,i=u.Sgu.cross(u.Sgu.diff(r,o),u.Sgu.diff(t,o));return i>0?1:i<0?-1:0}function iw(n,e){if("atoms"===e.map)return e.id;if("functionalGroups"===e.map){var t=n.sgroups.get(e.id);return null==t?void 0:t.getAttachmentAtomId()}}var aw=function(){function n(e){(0,c.Z)(this,n),this.editor=e,this.editor.selection(null)}return(0,s.Z)(n,[{key:"mousedown",value:function(n){var e=this.editor.render,t=this.editor.findItem(n,["texts"]);this.editor.selection(null),t&&"texts"===t.map&&(this.editor.hover(null),this.editor.selection({texts:[t.id]}),this.dragCtx={xy0:e.page2obj(n),action:new u.aUM})}},{key:"mousemove",value:function(n){var e=this.editor.render;if(this.dragCtx)this.dragCtx.action&&this.dragCtx.action.perform(e.ctab),this.dragCtx.action=(0,u.DYm)(e.ctab,this.editor.selection()||{},e.page2obj(n).sub(this.dragCtx.xy0)),this.editor.update(this.dragCtx.action,!0);else{var t=this.editor.findItem(n,["texts"]);this.editor.hover(this.editor.findItem(n,["texts"]),null,n),eC(t,this.editor.render.paper.canvas,this.editor.render.options.movingStyle.cursor)}}},{key:"mouseup",value:function(){return this.dragCtx&&(this.editor.update(this.dragCtx.action),delete this.dragCtx),!0}},{key:"click",value:function(n){var e=this.editor.render,t=this.editor.findItem(n,["texts"]);return this.editor.hover(null),t||lw(this.editor,null,e.page2obj(n),[]),!0}},{key:"dblclick",value:function(n){var e=this.editor.findItem(n,["texts"]);return this.editor.hover(null),"texts"===e.map&&lw(this.editor,e.id,e.position,e.pos),!0}}]),n}();function lw(n,e,t,r){var o=n.render.ctab.molecule,i=e||0===e?o.texts.get(e):null,a=i?i.content:"";n.event.elementEdit.dispatch({content:a,id:e,position:t,pos:r,type:"text"}).then((function(o){var i=o.content;!e&&0!==e&&i?n.update((0,u.$Tq)(n.render.ctab,i,t,r)):i?i!==a&&n.update((0,u.rzF)(n.render.ctab,e,i)):n.update((0,u.NmG)(n.render.ctab,e))})).catch((function(){return null}))}var cw={hand:DO,rgroupatom:IO,select:uC,sgroup:Ry,eraser:AO,atom:Ty,bond:yO,chain:wO,template:tw,charge:jO,rgroupfragment:LO,apoint:hO,attach:vO,reactionarrow:VO,reactionplus:FO,reactionmap:zO,reactionunmap:GO,paste:$O,rotate:JO,enhancedStereo:xO,simpleobject:qO,text:aw},sw=function(){function n(e){(0,c.Z)(this,n),this.editor=e}return(0,s.Z)(n,[{key:"getAll",value:function(){var n=this.editor.render.ctab.molecule.highlights;return(0,O.Z)(n).map((function(n){var e=(0,x.Z)(n,2);return{id:e[0],highlight:e[1]}}))}},{key:"create",value:function(){for(var n=this,e=[],t=arguments.length,r=new Array(t),o=0;o0&&(e=e.filter((function(n){return r.has(n)}))),t.length>0&&(t=t.filter((function(n){return o.has(n)}))),{validAtoms:e,validBonds:t}}(n.editor.render.ctab.molecule,r,o),l=a.validAtoms,c=a.validBonds;0===l.length&&0===c.length||e.push({atoms:l,bonds:c,color:i})}}));var i=(0,u.atm)(this.editor.render.ctab,e);this.editor.update(i)}},{key:"clear",value:function(){var n=(0,u.Ksv)(this.editor.render.ctab);this.editor.update(n)}}]),n}(),uw=function(){function n(e){(0,c.Z)(this,n),this.editor=e;var t=this.initialize();this.element=t.element,this._fill=t.fill,this._label=t.label,this.isShown=!0,this.shouldBeShownWhenMouseBack=!1,this.updatePosition();var r=this.editor.render.clientArea;this.onMouseMove=this.onMouseMove.bind(this),this.onMouseLeave=this.onMouseLeave.bind(this),document.addEventListener("mousemove",this.onMouseMove),r.addEventListener("mouseover",this.onMouseMove),r.addEventListener("mouseleave",this.onMouseLeave)}return(0,s.Z)(n,[{key:"fill",get:function(){return this._fill},set:function(n){this._fill=n,this.element.attr("fill",n)}},{key:"label",get:function(){return this._label},set:function(n){this._label=n,this.element.attr("text",n)}},{key:"isOverLoader",value:function(n){var e=(null==n?void 0:n.relatedTarget)||n.target;return null==e?void 0:e.classList.contains("loading-spinner")}},{key:"onMouseMove",value:function(n){(this.isShown||this.isOverLoader(n)&&this.shouldBeShownWhenMouseBack)&&(this.show(),this.updatePosition())}},{key:"onMouseLeave",value:function(n){!this.isOverLoader(n)&&this.isShown&&(this.shouldBeShownWhenMouseBack=!0,this.hide())}},{key:"updatePosition",value:function(){var n=this.editor.render,e=this.editor.lastCursorPosition,t=e.x,r=e.y,o=new u.Sgu(t,r),i=n.scrollPos(),a=n.options.zoom,l=o.add(i).scaled(1/a);this.element.attr({x:l.x,y:l.y})}},{key:"show",value:function(){this.element.show(),this.isShown=!0,this.shouldBeShownWhenMouseBack=!1}},{key:"hide",value:function(n){this.element.hide(),this.isShown=!1,n&&(this.shouldBeShownWhenMouseBack=!1)}},{key:"initialize",value:function(){var n,e=this.editor.render,t=null!==(n=this.fill)&&void 0!==n?n:"#000000",r=e.paper.text(0,0,this.label||"");return r.attr("fill",t),r.attr("font-size",this.editor.options().fontsz),r.attr("opacity",.7),{element:r,fill:t,label:(null==this?void 0:this.label)||""}}},{key:"create",value:function(){var n=this.initialize();this.element=n.element,this._fill=n.fill,this._label=n.label,this.shouldBeShownWhenMouseBack=!1,this.hide()}}]),n}(),dw=function(n,e,t){var r=n,o=e.sub(r).rotate(t);return r.add(o)},pw=15,hw=10,fw="#B4B9D6",mw="#365CFF",vw=function(){function n(e){var t=this;(0,c.Z)(this,n),(0,r.Z)(this,"hoverIn",(function(n){0!==n.buttons||t.drawHandle("hoverIn")})),(0,r.Z)(this,"hoverOut",(function(n){0!==n.buttons||t.drawHandle("hoverOut")})),(0,r.Z)(this,"dragStart",(function(n){var e;if(n.stopPropagation(),1===n.buttons)if(t.isRotating)t.clean();else{t.isRotating=!0,t.editor.event.updateFloatingTools.dispatch({visible:!1,rotateHandlePosition:new u.Sgu}),null===(e=t.boundingRect)||void 0===e||e.remove(),delete t.boundingRect;var r=t.handleCenter.sub(t.center);t.normalizedCenterInitialHandleVec=r.normalized();var o=u.Sgu.dist(t.handleCenter,t.center)-pw-hw;t.initialRadius=o>=0?o:0;var i=t.getProtractorBaseInfo(t.initialRadius),a=(0,x.Z)(i,2),l=a[0],c=a[1];t.drawProtractor(0,t.initialRadius,l,c),t.drawCross("active"),t.drawLink("long"),t.drawHandle("active");var s=t.handleCenter.sub(t.render.options.offset).scaled(1/t.render.options.scale);t.rotateTool.mousedownHandle(s,t.originalCenter)}})),(0,r.Z)(this,"dragMove",(function(){var n;return(0,D.throttle)((function(e,r,o,i,a){var l,c,s;if(t.isRotating){t.handleCenter=t.render.page2obj(a).scaled(t.render.options.scale).add(t.render.options.offset),t.drawLink("moveHandle"),t.drawHandle("move"),t.drawCross("move"),t.rotateTool.mousemove(a);var d=u.Sgu.dist(t.handleCenter,t.center)-pw-hw,p=d>=0?d:0;p>=1.4*(n=null!==(l=n)&&void 0!==l?l:t.initialRadius)||p<=n/1.4?n=p:p=n;var h=t.getProtractorBaseInfo(p),f=(0,x.Z)(h,4),m=f[0],v=f[1],g=f[2],b=f[3];t.drawRotateArc((null===(c=t.rotateTool.dragCtx)||void 0===c?void 0:c.angle)||0,p,g,b),t.drawProtractor((null===(s=t.rotateTool.dragCtx)||void 0===s?void 0:s.angle)||0,p,m,v),t.updateSnapAngleIndicator()}}),40)})),(0,r.Z)(this,"dragEnd",(function(n){n.stopPropagation(),t.rotateTool.mouseup(),t.rerender()})),(0,r.Z)(this,"hoverCrossIn",(function(n){0!==n.buttons||(t.drawCross("active"),t.drawLink("long"))})),(0,r.Z)(this,"hoverCrossOut",(function(n){0!==n.buttons||(t.drawCross("inactive"),t.drawLink("short"))})),(0,r.Z)(this,"dragCrossStart",(function(n){n.stopPropagation(),t.isMovingCenter=!0})),(0,r.Z)(this,"dragCrossMove",(0,D.throttle)((function(n,e,r,o,i){t.isMovingCenter&&(t.originalCenter=t.render.page2obj(i),t.drawCross("move"),t.drawLink("moveCenter"))}),40)),(0,r.Z)(this,"dragCrossEnd",(function(n){n.stopPropagation(),t.isMovingCenter=!1,t.originalCenter=t.render.page2obj(n)})),(0,r.Z)(this,"dragCrossEndOUtOfBounding",(function(n){t.isMovingCenter=!1,t.rerender()})),(0,r.Z)(this,"updateFloatingToolsPosition",(0,D.throttle)((function(){if(t.handle){var n=t.render.obj2view(t.handleCenter.sub(t.render.options.offset).scaled(1/t.render.options.scale));t.editor.event.updateFloatingTools.dispatch({rotateHandlePosition:n})}}),40)),this.editor=e,this.init(),this.rotateTool=new JO(this.editor,void 0)}return(0,s.Z)(n,[{key:"init",value:function(){this.originalCenter=new u.Sgu,this.normalizedCenterInitialHandleVec=new u.Sgu,this.handleCenter=new u.Sgu,this.initialRadius=0,this.isRotating=!1,this.isMovingCenter=!1}},{key:"render",get:function(){return this.editor.render}},{key:"paper",get:function(){return this.render.paper}},{key:"center",get:function(){return this.originalCenter.scaled(this.render.options.scale).add(this.render.options.offset)}},{key:"rerender",value:function(){this.clean(),this.init(),this.show()}},{key:"clean",value:function(){var n,e,t,r,o,i,a,l,c,s,d,p;this.editor.event.updateFloatingTools.dispatch({visible:!1,rotateHandlePosition:new u.Sgu}),null===(n=this.handle)||void 0===n||n.unhover(this.hoverIn,this.hoverOut),null===(e=this.handle)||void 0===e||e.unmousedown(this.dragStart),null===(t=this.handle)||void 0===t||t.unmouseup(this.dragEnd),null===(r=this.handle)||void 0===r||r.undrag();var h=null===(o=this.cross)||void 0===o?void 0:o[1];null==h||h.unhover(this.hoverCrossIn,this.hoverCrossOut),null==h||h.unmousedown(this.dragCrossStart),null==h||h.unmouseup(this.dragCrossEnd),null==h||h.undrag(),null===(i=this.cross)||void 0===i||i.remove(),delete this.cross,null===(a=this.boundingRect)||void 0===a||a.remove(),delete this.boundingRect,null===(l=this.link)||void 0===l||l.remove(),delete this.link,null===(c=this.handle)||void 0===c||c.remove(),delete this.handle,null===(s=this.protractor)||void 0===s||s.remove(),delete this.protractor,null===(d=this.rotateArc)||void 0===d||d.remove(),delete this.rotateArc,null===(p=this.snapAngleIndicator)||void 0===p||p.remove(),delete this.snapAngleIndicator}},{key:"revert",value:function(){var n;null!==(n=this.rotateTool.dragCtx)&&void 0!==n&&n.action&&this.isRotating&&(this.rotateTool.dragCtx.action.perform(this.render.ctab),this.render.update(),this.rerender())}},{key:"isPartOfFragmentSelected",value:function(){var n,e=this.render.ctab.molecule.atoms,t=(null===(n=this.editor.selection())||void 0===n?void 0:n.atoms)||[],r=new Set;return t.forEach((function(n){var t,o=null===(t=e.get(n))||void 0===t?void 0:t.fragment;r.add(o)})),e.filter((function(n){return!t.includes(n)})).some((function(n){return r.has(n.fragment)}))}},{key:"show",value:function(){var n,e,t,r,o,i=this.rotateTool.getCenter(),a=this.editor.selection(),l=this.render.ctab.molecule.getSelectedVisibleAtoms(a),c=a||{},s=c.texts,d=c.rxnArrows,p=c.rxnPluses;if(l.concat(s||[],d||[],p||[]).length>1&&this.editor.tool()instanceof uC&&i){this.originalCenter=i;var h=this.drawBoundingRect(l,s,d,p,null==a?void 0:a.bonds,null==a?void 0:a.rgroupAttachmentPoints);this.handleCenter=new u.Sgu(this.center.x,h-pw-hw);var f=this.render.obj2view(this.handleCenter.sub(this.render.options.offset).scaled(1/this.render.options.scale));if(this.editor.event.updateFloatingTools.dispatch({visible:!0,rotateHandlePosition:f}),this.drawLink(),this.drawCross(),this.drawHandle(),null===(n=this.handle)||void 0===n||n.hover(this.hoverIn,this.hoverOut),null===(e=this.handle)||void 0===e||e.mousedown(this.dragStart),null===(t=this.handle)||void 0===t||t.mouseup(this.dragEnd),null===(r=this.handle)||void 0===r||r.drag(this.dragMove(),void 0,this.dragEnd),!this.isPartOfFragmentSelected()){var m=null===(o=this.cross)||void 0===o?void 0:o[1];null==m||m.hover(this.hoverCrossIn,this.hoverCrossOut),null==m||m.mousedown(this.dragCrossStart),null==m||m.mouseup(this.dragCrossEnd),null==m||m.drag(this.dragCrossMove,void 0,this.dragCrossEndOUtOfBounding)}}}},{key:"drawCross",value:function(n){switch(n){case"active":var e;null===(e=this.cross)||void 0===e||e.attr({stroke:mw});break;case"inactive":var t;null===(t=this.cross)||void 0===t||t.attr({stroke:fw});break;case"move":var r,o;null===(r=this.cross)||void 0===r||r.transform(""),null===(o=this.cross)||void 0===o||o.translate(this.center.x,this.center.y);break;default:var i,a,l=this.paper.path("M0,0h8M0,0h-8M0,0v8M0,0v-8").attr({stroke:fw,"stroke-width":2,"stroke-linecap":"round"}),c=this.paper.circle(0,0,10).attr({fill:"red",opacity:0});this.cross=this.paper.set(),null===(i=this.cross)||void 0===i||i.push(l,c),null===(a=this.cross)||void 0===a||a.translate(this.center.x,this.center.y)}}},{key:"drawBoundingRect",value:function(n,e,t,r,o,i){var a=this.render.ctab.getVBoxObj({atoms:n,texts:e,rxnArrows:t,rxnPluses:r,sgroups:ky(this.render.ctab.molecule,{atoms:n}),bonds:o,rgroupAttachmentPoints:i}).transform(u.Ciz.obj2scaled,this.render.options).translate(this.render.options.offset||new u.Sgu),l=a.p0.x-10-this.render.options.atomSelectionPlateRadius,c=a.p0.y-10-this.render.options.atomSelectionPlateRadius,s=a.p1.x+10+this.render.options.atomSelectionPlateRadius,d=a.p1.y+10+this.render.options.atomSelectionPlateRadius;return this.boundingRect=this.paper.rect(l,c,s-l,d-c,20).attr({"stroke-dasharray":"-",stroke:fw}),c}},{key:"drawHandle",value:function(n){switch(n){case"hoverIn":var e,t;null===(e=this.handle)||void 0===e||e.attr({cursor:"grab"}),(null===(t=this.handle)||void 0===t?void 0:t[0]).attr({fill:mw});break;case"hoverOut":var r;(null===(r=this.handle)||void 0===r?void 0:r[0]).attr({fill:fw});break;case"active":var o,i;null===(o=this.handle)||void 0===o||o.attr({cursor:"grabbing"});var a=null===(i=this.handle)||void 0===i?void 0:i[1];null==a||a.attr({fill:"none"});break;case"move":var l;null===(l=this.handle)||void 0===l||l.transform("").translate(this.handleCenter.x,this.handleCenter.y);break;default:var c=this.paper.circle(0,0,hw).attr({fill:fw,stroke:"none"});c.node.setAttribute("data-testid","rotation-handle");var s=this.paper.path("M12.7034 14.8189L9.39616 17.6218L9.13674 16.1892C8.12927 16.0487 7.17132 15.6644 6.34605 15.0697C5.52078 14.475 4.85314 13.6878 4.40108 12.7766C3.94903 11.8653 3.72622 10.8575 3.75201 9.84062C3.7778 8.82373 4.0514 7.8285 4.54906 6.94133L5.8121 7.65148C5.45018 8.29719 5.24246 9.01784 5.20516 9.75712C5.16786 10.4964 5.302 11.2343 5.59709 11.9132C5.89218 12.592 6.34023 13.1935 6.90624 13.6705C7.47225 14.1475 8.1409 14.4872 8.85993 14.6631L8.62297 13.3587L12.7034 14.8189Z").attr({fill:"white",stroke:"none"}),u=this.paper.path("M15.4493 13.0588L14.1862 12.3486C14.5482 11.7029 14.7559 10.9823 14.7932 10.243C14.8305 9.50371 14.6963 8.76582 14.4012 8.08695C14.1062 7.40809 13.6581 6.80665 13.0921 6.32962C12.5261 5.85259 11.8574 5.51288 11.1384 5.33704L11.3754 6.64501L7.29492 5.18124L10.6022 2.37834L10.8616 3.81095C11.8691 3.95145 12.827 4.33573 13.6523 4.93043C14.4776 5.52513 15.1452 6.31227 15.5973 7.22353C16.0493 8.13478 16.2721 9.1426 16.2463 10.1595C16.2205 11.1764 15.9469 12.1716 15.4493 13.0588Z").attr({fill:"white",stroke:"none"}),d=this.paper.set();d.push(s,u);var p=d.getBBox(),h=p.x,f=p.y,m=p.width,v=p.height;d.translate(-(h+m/2),-(f+v/2)),this.handle=this.paper.set(),this.handle.push(c,d),this.handle.translate(this.handleCenter.x,this.handleCenter.y)}}},{key:"drawLink",value:function(n){switch(n){case"long":var e;null===(e=this.link)||void 0===e||e.attr({path:"M".concat(this.center.x,",").concat(this.center.y)+"L".concat(this.handleCenter.x,",").concat(this.handleCenter.y),stroke:mw});break;case"short":var t;null===(t=this.link)||void 0===t||t.attr({path:"M".concat(this.handleCenter.x,",").concat(this.handleCenter.y)+"l0,".concat(25),stroke:fw});break;case"moveCenter":var r;null===(r=this.link)||void 0===r||r.attr({path:"M".concat(this.center.x,",").concat(this.center.y)+"L".concat(this.handleCenter.x,",").concat(this.handleCenter.y)});break;case"moveHandle":var o;null===(o=this.link)||void 0===o||o.attr({path:"M".concat(this.center.x,",").concat(this.center.y)+"L".concat(this.handleCenter.x,",").concat(this.handleCenter.y)});break;default:this.link=this.paper.path("M".concat(this.handleCenter.x,",").concat(this.handleCenter.y)+"l0,".concat(25)).attr({"stroke-dasharray":"-",stroke:fw})}}},{key:"drawProtractor",value:function(n,e,t,r){var o,i=this;null===(o=this.protractor)||void 0===o||o.remove();var a="#E1E5EA",l=this.paper.circle(this.center.x,this.center.y,e).attr({"stroke-dasharray":"-",stroke:a});this.protractor=this.paper.set(),this.protractor.push(l),[0,30,45,60,90,120,135,150,180,-150,-135,-120,-90,-60,-45,-30].reduce((function(o,l,c){var s,u,d=0===c,p=l-o,h=function(n,e){var t=0;if(e>90){var r=n<0?n+360:n;t=Math.abs(r-e)}else if(e<-90){var o=n>0?n-360:n;t=Math.abs(o-e)}else t=Math.abs(n-e);return t}(l,n);if(d||(t=t.clone().rotate(p,i.center.x,i.center.y)),t.attr({stroke:h>90?"none":a}),null===(s=i.protractor)||void 0===s||s.push(t),e<65)return l;r=dw(i.center,r,p/180*Math.PI);var f=i.paper.text(r.x,r.y,"".concat(l,"°")).attr({fill:h>90?"none":0!==l&&l===n?mw:fw,"font-size":12});return null===(u=i.protractor)||void 0===u||u.push(f),l}),0),this.protractor.toBack()}},{key:"drawRotateArc",value:function(n,e,t,r){if(!this.rotateArc){var o=this.paper.path(),i=this.paper.text(0,0,"");this.rotateArc=this.paper.set().push(o,i)}var a=dw(this.center,t,n/180*Math.PI),l=this.rotateArc[0],c=this.rotateArc[1];l.attr({path:"M".concat(t.x,",").concat(t.y)+"A".concat(e,",").concat(e," ")+"0 0,".concat(n<0?"0":"1"," ")+"".concat(a.x,",").concat(a.y),stroke:mw}).toBack(),c.attr({text:"".concat(n,"°"),x:r.x,y:r.y,"font-size":16,fill:"#333333"})}},{key:"getProtractorBaseInfo",value:function(n){var e=n+pw+20+10,t=this.normalizedCenterInitialHandleVec.scaled(e),r=this.center.add(t),o=n>=65?pw:7.5,i=this.normalizedCenterInitialHandleVec.scaled(n),a=this.normalizedCenterInitialHandleVec.scaled(o),l=this.center.add(i),c=l.add(a),s=l.addScaled(a,.5),u=this.paper.path("M".concat(l.x,",").concat(l.y)+(n>=65?"L".concat(c.x,", ").concat(c.y):"L".concat(s.x,", ").concat(s.y))).attr({"stroke-dasharray":"-"}),d=this.center.add(this.normalizedCenterInitialHandleVec.scaled(n)),p=i.add(a),h=p.rotate(Math.PI/2).normalized().scaled(20);return[u,r,d,this.center.add(p).add(h)]}},{key:"updateSnapAngleIndicator",value:function(){var n=this.rotateTool.snapAngleDrawingProps;if(null===n||"multiple-bonds"===n.snapMode&&n.isSnapping){var e;null===(e=this.snapAngleIndicator)||void 0===e||e.remove()}else{var t=n.isSnapping,r=n.absoluteAngle,o=n.relativeAngle,i=n.snapMode,a=t?"noLine":"multiple-bonds"===i?"noText":"default";this.drawSnapAngleIndicator(a,r,o)}}},{key:"drawSnapAngleIndicator",value:function(n,e,t){var r,o=this;null===(r=this.snapAngleIndicator)||void 0===r||r.remove(),this.snapAngleIndicator=this.paper.set();var i=u.MfV.degrees(t),a=function(n){return o.paper.text(n.x,n.y,"".concat(Math.abs(i),"°")).attr({"font-size":12})},l=function(){var n=new u.Sgu(30,0).rotate(e);return o.paper.path("M0,0"+"l".concat(n.x,",").concat(n.y)).attr({"stroke-dasharray":"-",stroke:fw})};switch(n){case"noLine":var c=HO(e-t/2),s=a(new u.Sgu(20,0).rotate(c)).attr({fill:mw});this.snapAngleIndicator.push(s);break;case"noText":var d=l();this.snapAngleIndicator.push(d);break;default:var p=l(),h=a(new u.Sgu(45,0).rotate(e)).attr({fill:fw});this.snapAngleIndicator.push(p),this.snapAngleIndicator.push(h)}this.snapAngleIndicator.translate(this.center.x,this.center.y)}}]),n}();function gw(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}var bw=["atoms","bonds","frags","sgroups","sgroupData","rgroups","rxnArrows","rxnPluses","enhancedFlags","simpleObjects","texts"],yw=["atoms","bonds","rxnArrows","rxnPluses","functionalGroups","frags","merge","rgroups","rgroupAttachmentPoints","sgroups","sgroupData","enhancedFlags","simpleObjects","texts"],Cw=new WeakMap,Ow=function(){function n(e,t){var r,o,i;(0,c.Z)(this,n),i={writable:!0,value:void 0},function(n,e){if(e.has(n))throw new TypeError("Cannot initialize the same private elements twice on an object")}(r=this,o=Cw),o.set(r,i),this.render=new u.Hrh(e,Object.assign({scale:40},t)),this._selection=null,this._tool=null,this.historyStack=[],this.historyPtr=0,this.errorHandler=null,this.highlights=new sw(this),this.renderAndRecoordinateStruct=this.renderAndRecoordinateStruct.bind(this),this.setOptions=this.setOptions.bind(this),this.lastCursorPosition={x:0,y:0},this.hoverIcon=new uw(this),this.hoverIcon.updatePosition(),this.contextMenu={},this.rotateController=new vw(this),this.event={message:new W.w0,elementEdit:new W.he,bondEdit:new W.he,zoomIn:new W.he,zoomOut:new W.he,rgroupEdit:new W.he,sgroupEdit:new W.he,sdataEdit:new W.he,quickEdit:new W.he,attachEdit:new W.he,removeFG:new W.he,change:new W.w0,selectionChange:new W.he,aromatizeStruct:new W.he,dearomatizeStruct:new W.he,enhancedStereoEdit:new W.he,confirm:new W.he,cursor:new W.he,showInfo:new W.he,apiSettings:new W.he,updateFloatingTools:new W.w0},function(n,e){[{target:e,eventName:"click",toolEventHandler:"click"},{target:e,eventName:"dblclick",toolEventHandler:"dblclick"},{target:e,eventName:"mousedown",toolEventHandler:"mousedown"},{target:document,eventName:"mousemove",toolEventHandler:"mousemove"},{target:document,eventName:"mouseup",toolEventHandler:"mouseup"},{target:document,eventName:"mouseleave",toolEventHandler:"mouseleave"},{target:e,eventName:"mouseleave",toolEventHandler:"mouseLeaveClientArea"},{target:e,eventName:"mouseover",toolEventHandler:"mouseover"}].forEach((function(t){var r=t.target,o=t.eventName,i=t.toolEventHandler;n.event[o]=new W.ZN;var a=n.event[o];r.addEventListener(o,(function(){window.isPolymerEditorTurnedOn||a.dispatch.apply(a,arguments)})),a.add((function(t){if(function(n,e){if(["mousemove","click","mousedown","mouseup","mouseover"].includes(e.type)){var t=n.render.clientArea.getBoundingClientRect();n.lastCursorPosition={x:e.clientX-t.x,y:e.clientY-t.y}}}(n,t),["mouseup","mousedown","click","dbclick"].includes(t.type)&&!function(n){return 0===n.button}(t))return!0;if("mouseup"!==o&&"mouseleave"!==o&&(!t.target||"DIV"===t.target.nodeName))return n.hover(null),!0;var r=function(n,e,t,r){var o,i,a,l=n.tool();return!!l&&(n.lastEvent=r,!![e in l,t.contains(r.target)||(null===(o=l.isSelectionRunning)||void 0===o?void 0:o.call(l)),(i=n.contextMenu,!Object.values(i).some(Boolean))].every((function(n){return n}))&&(null===(a=l[e])||void 0===a||a.call(l,r),!0))}(n,i,e,t);return r||function(n,e,t,r){"mouseup"===e&&n.selection()&&t.contains(r.target)&&n.selection(null)}(n,o,e,t),!0}),-1)}))}(this,e),this.render.paper.canvas.setAttribute("data-testid","canvas")}return(0,s.Z)(n,[{key:"isDitrty",value:function(){var n=this.historyPtr;return!(!this.historyStack.length||!(0,Y.Z)(this,Cw)||(0,C.isEqual)(this.historyStack[n-1],(0,Y.Z)(this,Cw)))}},{key:"setOrigin",value:function(){var n=this.historyPtr;(0,J.Z)(this,Cw,n?this.historyStack[n-1]:null)}},{key:"tool",value:function(n,e){if(0===arguments.length)return this._tool;this._tool&&this._tool.cancel&&this._tool.cancel();var t=new(0,cw[n])(this,e);return"atom"===n||this.hoverIcon.hide(!0),!t||t.isNotActiveTool?null:("select"===n||this.rotateController.clean(),this._tool=t,this._tool)}},{key:"clear",value:function(){this.struct(void 0)}},{key:"renderAndRecoordinateStruct",value:function(n){var e=(0,u.oEw)(this.render.ctab,n);return this.update(e),nC(this,Qy(this.render.ctab)),this.render.ctab.molecule}},{key:"struct",value:function(n){if(0===arguments.length)return this.render.ctab.molecule;this.selection(null);var e=n||new u.AUF,t=this.renderAndRecoordinateStruct(e);return this.hoverIcon.create(),t}},{key:"structToAddFragment",value:function(n){var e=n.mergeInto(this.render.ctab.molecule);return this.renderAndRecoordinateStruct(e)}},{key:"setOptions",value:function(n){var e=JSON.parse(n);return this.event.apiSettings.dispatch(function(n){for(var e=1;er-i.width?o/i.height:r/i.width);a>=1?this.zoom(1):(a-=40/i.width,this.zoom(a<.1?.1:Number(a.toFixed(2))))}}},{key:"selection",value:function(n){if(0===arguments.length)return this._selection;var e=this.render.ctab,t=!1;if(this._selection=null,"all"===n&&(t=!0,n=bw.reduce((function(n,t){return n[t]=Array.from(e[t].keys()),n}),{})),"descriptors"===n&&(e=this.render.ctab,n={sgroupData:Array.from(e.sgroupData.keys())}),n){var r={};Object.keys(n).forEach((function(e){n[e].length>0&&(r[e]=n[e].slice())})),0!==Object.keys(r).length&&(this._selection=r);var o=function(n,e){var t={};n.forEach((function(n,e){t[n.fragment]?t[n.fragment].push(e):t[n.fragment]=[e]}));var r=[];return Object.keys(t).forEach((function(n){var o=!0;t[n].forEach((function(n){e.includes(n)||(o=!1)})),o&&r.push(Number(n))})),r}(this.struct().atoms,this.explicitSelected().atoms);0!==o.length&&(this._selection&&this._selection.enhancedFlags?this._selection.enhancedFlags=Array.from(new Set([].concat((0,O.Z)(this._selection.enhancedFlags),(0,O.Z)(o)))):r.enhancedFlags=o)}return this.render.ctab.setSelection(this._selection),this.event.selectionChange.dispatch(this._selection),t?this.rotateController.rerender():null===this._selection&&this.rotateController.clean(),this.render.update(!1,null,{resizeCanvas:!1}),this._selection}},{key:"hover",value:function(n,e,t){var r=e||this._tool;!("ci"in r)||n&&r.ci.map===n.map&&r.ci.id===n.id||(ww(r.ci,!1,this.render),delete r.ci),n&&ww(n,!0,this.render)&&(r.ci=n),t&&qv({editor:this,event:t,isShow:!0})}},{key:"update",value:function(n,e){var t=arguments.length>2&&void 0!==arguments[2]?arguments[2]:{resizeCanvas:!0};qv({editor:this,isShow:!1}),!0===n?this.render.update(!0,null,t):(e||n.isDummy()||(this.historyStack.splice(this.historyPtr,33,n),this.historyStack.length>32&&this.historyStack.shift(),this.historyPtr=this.historyStack.length,this.event.change.dispatch(n)),this.render.update(!1,null,t))}},{key:"historySize",value:function(){return{undo:this.historyPtr,redo:this.historyStack.length-this.historyPtr}}},{key:"undo",value:function(){if(0===this.historyPtr)throw new Error("Undo stack is empty");if(this._tool&&this._tool.cancel&&this._tool.cancel(),this.selection(null),this._tool instanceof cw.paste)this.event.change.dispatch();else{this.historyPtr--;var n=this.historyStack[this.historyPtr].perform(this.render.ctab);this.historyStack[this.historyPtr]=n,this.event.change.dispatch(n),this.render.update()}}},{key:"redo",value:function(){if(this.historyPtr===this.historyStack.length)throw new Error("Redo stack is empty");if(this._tool&&this._tool.cancel&&this._tool.cancel(),this.selection(null),this._tool instanceof cw.paste)this.event.change.dispatch();else{var n=this.historyStack[this.historyPtr].perform(this.render.ctab);this.historyStack[this.historyPtr]=n,this.historyPtr++,this.event.change.dispatch(n),this.render.update()}}},{key:"subscribe",value:function(n,e){var t={handler:e};if("change"===n){var r=function(n){return function(n,e){var t=[];return n.operations.reverse().forEach((function(n){var e=n._inverted;switch(e.type){case u.C8.ATOM_ADD:case u.C8.ATOM_DELETE:t.push({operation:e.type,id:e.data.aid,label:e.data.atom.label?e.data.atom.label:"",position:{x:+e.data.pos.x.toFixed(2),y:+e.data.pos.y.toFixed(2)}});break;case u.C8.ATOM_ATTR:t.push({operation:n.type,id:n.data.aid,attribute:n.data.attribute,from:n.data.value,to:n.data2.value});break;case u.C8.ATOM_MOVE:t.push({operation:e.type,id:e.data.aid,position:{x:+e.data.d.x.toFixed(2),y:+e.data.d.y.toFixed(2)}});break;case u.C8.BOND_ADD:case u.C8.BOND_DELETE:t.push({operation:e.type,id:e.data.bid});break;case u.C8.FRAGMENT_ADD:case u.C8.FRAGMENT_DELETE:t.push({operation:e.type,id:e.frid});break;case u.C8.FRAGMENT_ADD_STEREO_ATOM:case u.C8.FRAGMENT_DELETE_STEREO_ATOM:t.push({operation:e.type,atomId:e.data.aid,fragId:e.data.frid});break;case u.C8.S_GROUP_ATOM_ADD:case u.C8.S_GROUP_ATOM_REMOVE:t.push({operation:e.type,atomId:e.data.aid,sGroupId:e.data.sgid});break;case u.C8.S_GROUP_CREATE:case u.C8.S_GROUP_DELETE:t.push({operation:e.type,type:e.data.type,sGroupId:e.data.sgid});break;case u.C8.RXN_ARROW_ADD:case u.C8.RXN_ARROW_DELETE:t.push({operation:e.type,id:e.data.id,mode:e.data.mode,position:e.data.pos.map((function(n){return{x:+n.x.toFixed(2),y:+n.y.toFixed(2)}}))});break;case u.C8.RXN_ARROW_RESIZE:t.push({operation:e.type,id:e.data.id});break;case u.C8.RXN_ARROW_MOVE:t.push({operation:e.type,id:e.data.id,position:{x:+e.data.d.x.toFixed(2),y:+e.data.d.y.toFixed(2)}});break;case u.C8.R_GROUP_FRAGMENT:t.push({operation:n.type,id:e.frid});break;case u.C8.SIMPLE_OBJECT_ADD:case u.C8.SIMPLE_OBJECT_DELETE:t.push({operation:e.type,id:e.data.id,mode:e.data.mode});break;case u.C8.SIMPLE_OBJECT_RESIZE:t.push({operation:e.type,id:e.data.id});break;case u.C8.SIMPLE_OBJECT_MOVE:t.push({operation:n.type,id:n.data.id,position:{x:+n.data.d.x.toFixed(2),y:+n.data.d.y.toFixed(2)}});break;default:t.push({operation:e.type})}})),e(t)}(n,e)};t.handler=r,this.event[n].add(r)}else this.event[n].add(e);return t}},{key:"unsubscribe",value:function(n,e){this.event[n].remove(e.handler)}},{key:"findItem",value:function(n,e){var t=arguments.length>2&&void 0!==arguments[2]?arguments[2]:null,r=new u.Sgu(this.render.page2obj(n));return cO(this.render.ctab,r,e,t,this.render.options)}},{key:"findMerge",value:function(n,e){return sO(this.render.ctab,n,e,this.render.options)}},{key:"explicitSelected",value:function(){var n=this.selection()||{},e=bw.reduce((function(e,t){return e[t]=n[t]?n[t].slice():[],e}),{}),t=this.render.ctab.molecule;return e.bonds&&e.bonds.forEach((function(n){var r=t.bonds.get(n);e.atoms=e.atoms||[],e.atoms.indexOf(r.begin)<0&&e.atoms.push(r.begin),e.atoms.indexOf(r.end)<0&&e.atoms.push(r.end)})),e.atoms&&e.bonds&&t.bonds.forEach((function(n,t){e.bonds.indexOf(t)<0&&e.atoms.indexOf(n.begin)>=0&&e.atoms.indexOf(n.end)>=0&&(e.bonds=e.bonds||[],e.bonds.push(t))})),e}},{key:"structSelected",value:function(){var n=this.render.ctab.molecule,e=this.explicitSelected(),t=n.clone(new u.UE_(e.atoms),new u.UE_(e.bonds),!0,null,new u.UE_(e.simpleObjects),new u.UE_(e.texts));return n.rxnArrows.forEach((function(n,r){-1!==e.rxnArrows.indexOf(r)&&t.rxnArrows.add(n.clone())})),n.rxnPluses.forEach((function(n,r){-1!==e.rxnPluses.indexOf(r)&&t.rxnPluses.add(n.clone())})),t.isReaction=n.isReaction&&n.isRxn(),t}},{key:"alignDescriptors",value:function(){this.selection(null);var n=(0,u.NZY)(this.render.ctab);this.update(n),this.render.update(!0)}}]),n}();function ww(n,e,t){if(-1===yw.indexOf(n.map))return!1;var r=null;if("merge"===n.map)return Object.keys(n.items).forEach((function(o){n.items[o].forEach((function(n){(r=t.ctab[o].get(n))&&r.setHover(e,t)}))})),!0;if("functionalGroups"===n.map&&(n.map="sgroups"),!(r=t.ctab[n.map].get(n.id)))return!0;if("sgroups"===n.map&&"DAT"===r.item.type||"sgroupData"===n.map){var o=t.ctab.sgroups.get(n.id);o&&o.setHover(e,t);var i=t.ctab.sgroupData.get(n.id);i&&i.setHover(e,t)}else r.setHover(e,t);return!0}var Sw,jw,xw="StructEditor-module_visible__3eFNB",Mw="StructEditor-module_enableCursor__Qla0A",Ew=function(n){var e=n.Icon,t=n.PressedIcon,r=n.enableHandTool,i=(0,d.useState)({clientX:50,clientY:50}),a=(0,x.Z)(i,2),l=a[0],c=a[1],s=(0,d.useState)(!1),u=(0,x.Z)(s,2),p=u[0],h=u[1],f=function(n){var e=n.clientX,t=n.clientY;c({clientX:e,clientY:t})},m=function(){h(!0)},v=function(){h(!1)};return(0,d.useEffect)((function(){return document.addEventListener("mousemove",f,!1),document.addEventListener("mouseenter",f,!1),document.addEventListener("mousedown",m,!1),document.addEventListener("mouseup",v,!1),function(){document.removeEventListener("mousedown",m),document.removeEventListener("mouseup",v),document.removeEventListener("mousemove",f),document.removeEventListener("mouseenter",f)}}),[]),r?(0,o.jsx)("div",{style:{position:"fixed",top:0,bottom:0,left:0,right:0,zIndex:9999,pointerEvents:"none"},children:p?(0,o.jsx)(t,{style:{position:"absolute",left:l.clientX,top:l.clientY}}):(0,o.jsx)(e,{style:{position:"absolute",left:l.clientX,top:l.clientY}})}):null},Aw="ContextMenu-module_icon__KhXEk",Dw="ContextMenu-module_sameGroup__0DPIX",Pw="ContextMenu-module_subMenu__87kBE";!function(n){n.FOR_BONDS="context-menu-for-bonds",n.FOR_ATOMS="context-menu-for-atoms",n.FOR_SELECTION="context-menu-for-selection",n.FOR_FUNCTIONAL_GROUPS="context-menu-for-functional-groups",n.FOR_R_GROUP_ATTACHMENT_POINT="context-menu-for-rgroup-attachment-point"}(Sw||(Sw={})),function(n){n.None="none",n.Selection="selection",n.ClosestItem="closestItem"}(jw||(jw={}));var Nw=function(){var n,e=Bg().getKetcherInstance,t=(0,d.useCallback)((n=(0,i.Z)(l().mark((function n(t){var r,o,i,a,c,s;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:r=t.props,o=e().editor,i=o.render.ctab,a=(null==r?void 0:r.atomIds)||[],c=mC(a,i),s=o.event.elementEdit.dispatch(c),Jy({atoms:a,changeAtomPromise:s,editor:o});case 7:case"end":return n.stop()}}),n)}))),function(e){return n.apply(this,arguments)}),[e]),r=(0,d.useCallback)((function(n){var e=n.props,t=null==e?void 0:e.atomIds;return!Array.isArray(t)||0===t.length}),[]);return[t,r]},$w=function(n){return n.slice(0,-5)},kw=function(n){return Object.keys(n).filter((function(n){return n.startsWith("bond-")}))},Iw=["bond-any","bond-aromatic","bond-singledouble","bond-singlearomatic","bond-doublearomatic"];function Tw(n,e){var t=arguments.length>2&&void 0!==arguments[2]?arguments[2]:[],r=Object.keys(n).filter((function(n){return!t.includes(n)}));return 1===r.length&&e in n}var _w=function(){var n,e=Bg().getKetcherInstance,t=(0,d.useRef)(),r=(0,d.useCallback)((n=(0,i.Z)(l().mark((function n(r){var o,i;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:if(r.props&&t.current){n.next=3;break}return n.abrupt("return");case 3:return o=e().editor,n.prev=4,n.next=7,xO.changeAtomsStereoAction(o,t.current);case 7:(i=n.sent)&&o.update(i),n.next=14;break;case 11:n.prev=11,n.t0=n.catch(4);case 14:case"end":return n.stop()}}),n,null,[[4,11]])}))),function(e){return n.apply(this,arguments)}),[e]),o=(0,d.useCallback)((function(n){var r=n.props,o=e().editor,i=(0,u.f0f)(o.struct(),null==r?void 0:r.atomIds);return t.current=i,!Array.isArray(i)||0===i.length}),[e]);return[r,o]},Bw=function(){var n,e=Bg().getKetcherInstance,t=(0,d.useCallback)((n=(0,i.Z)(l().mark((function n(t){var r,o,i,a,c;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:r=t.props,o=e().editor,i=o.render.ctab,a=o.selection()||{bonds:null==r?void 0:r.bondIds,atoms:null==r?void 0:r.atomIds},c=(0,u.nHA)(i,a),o.update(c),o.selection(null);case 7:case"end":return n.stop()}}),n)}))),function(e){return n.apply(this,arguments)}),[e]);return t},Lw=function(n,e){var t,r,o=e.editor.render.ctab,i=null==n||null===(t=n.atomIds)||void 0===t?void 0:t[0];if(null!=i)return i;var a=null==n||null===(r=n.rgroupAttachmentPoints)||void 0===r?void 0:r[0];Uv(null!=a);var l=o.molecule.rgroupAttachmentPoints.get(a);return Uv(null!=l),l.atomId},Vw=function(){var n=Bg().getKetcherInstance,e=(0,d.useCallback)((function(e){var t=e.props,r=n(),o=r.editor.render.ctab,i=Lw(t,r),a=o.molecule.atoms.get(i);Uv(null!=a),uO(r.editor,a,i)}),[n]),t=(0,d.useCallback)((function(e){var t=e.props,r=n(),o=r.editor.render.ctab,i=Lw(t,r),a=o.molecule.atoms.get(i);return Uv(null!=a),a.isRGroupAttachmentPointEditDisabled}),[n]),r=(0,d.useCallback)((function(n){var e,t=n.props;return((null==t||null===(e=t.atomIds)||void 0===e?void 0:e.length)||0)>1}),[]);return[e,t,r]};function Rw(n){var e=n.buttons,t=n.onClick,i=n.defaultValue,a=(0,d.useState)(i),l=(0,x.Z)(a,2),c=l[0],s=l[1],u=(0,d.useCallback)((function(n,e){n.stopPropagation(),t(e),s(e)}),[t]);return(0,o.jsx)(F.Z,{exclusive:!0,children:e.map((function(n){var e=n.label,t=n.value;return(0,o.jsx)(G.Z,{value:Number(t),onClick:function(n){return u(n,t)},className:(0,v.Z)("ToggleButtonGroup-module_button__5nfNK",(0,r.Z)({},"ToggleButtonGroup-module_selected__SAbod",t===c)),children:e||"none"},e)}))})}function zw(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Fw(n){for(var e=1;e1||r.bonds.get(o[0]).b.getAttachedSGroups(r.molecule).size>0}),[n]);return[e,t]}(),c=(0,x.Z)(l,2),s=c[0],p=c[1],h=function(){var n=Bg().getKetcherInstance,e=(0,d.useRef)(new u.UE_),t=(0,d.useCallback)((function(){var t=n().editor,r=Array.from(e.current);Ry.sgroupDialog(t,r[0])}),[n]),r=(0,d.useCallback)((function(t){var r=t.props,o=n().editor.render.ctab,i=r.bondIds;if(i.length>1)return!0;var a=o.bonds.get(i[0]);return e.current=a.b.getAttachedSGroups(o.molecule),e.current.size>1}),[n]);return[t,r,(0,d.useCallback)((function(){return 0===e.current.size}),[])]}(),f=(0,x.Z)(h,3),m=f[0],v=f[1],g=f[2],b=Bw(),y=nS.slice(1);return(0,o.jsxs)(o.Fragment,{children:[(0,o.jsx)(X.ck,Qw(Qw({},n),{},{onClick:r,children:null!==(e=n.propsFromTrigger)&&void 0!==e&&e.extraItemsSelected?"Edit selected bonds...":"Edit..."})),y.map((function(e,t){var r=Id(e),i=Dw+(t===y.length-1?"ContextMenu-module_devider__-K9Bc":"");return(0,d.createElement)(X.ck,Qw(Qw({className:i},n),{},{id:e,onClick:a,key:e}),r&&(0,o.jsx)(kd,{name:r,className:Aw}),(0,o.jsx)("span",{children:$w(Et[e].title)}))})),(0,o.jsx)(X.rS,Qw(Qw({},n),{},{label:"Query bonds",className:Pw,children:Iw.map((function(n){var e=Id(n);return(0,o.jsxs)(X.ck,{className:Dw,id:n,onClick:a,children:[e&&(0,o.jsx)(kd,{name:e,className:Aw}),(0,o.jsx)("span",{children:$w(Et[n].title)})]},n)}))})),(0,o.jsx)(X.ck,Qw(Qw({},n),{},{hidden:p,onClick:s,children:"Attach S-Group..."})),(0,o.jsx)(X.ck,Qw(Qw({},n),{},{hidden:g,disabled:v,onClick:m,children:"Edit S-Group..."})),(0,o.jsx)(X.ck,Qw(Qw({},n),{},{onClick:b,children:"Delete"}))]})};function tS(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function rS(n){for(var e=1;e0){var i=Array.from(e.values());return{id:Sw.FOR_FUNCTIONAL_GROUPS,functionalGroups:i}}return!t||r||o?!r||t||o?!o||t||r?{id:Sw.FOR_SELECTION,bondIds:n.bonds,atomIds:n.atoms}:{id:Sw.FOR_R_GROUP_ATTACHMENT_POINT,rgroupAttachmentPoints:n.rgroupAttachmentPoints,extraItemsSelected:!Tw(n,"rgroupAttachmentPoints",vS)}:{id:Sw.FOR_ATOMS,atomIds:n.atoms,extraItemsSelected:!Tw(n,"atoms",vS)}:{id:Sw.FOR_BONDS,bondIds:n.bonds,extraItemsSelected:!Tw(n,"bonds",vS)}}(c,d)}h&&r({id:h.id,event:n,props:h})}else{var f=1===n.buttons;c&&!f&&e.selection(null)}}),[t,i,r]);return(0,o.jsx)("div",{style:{height:"100%"},onContextMenu:a,children:e})},bS="InfoPanel-module_infoPanel__irvZL",yS=function(n){var e,t;return(null==n||null===(e=n.options.offset)||void 0===e?void 0:e.x)-(null==n||null===(t=n.clientArea)||void 0===t?void 0:t.scrollLeft)},CS=function(n){var e,t;return(null==n||null===(e=n.options)||void 0===e||null===(e=e.offset)||void 0===e?void 0:e.y)-(null==n||null===(t=n.clientArea)||void 0===t?void 0:t.scrollTop)},OS=function(n){var e=n.clientX,t=n.clientY,r=n.render,i=n.className,a=n.sGroup,l=n.sGroupData,c=(0,d.useState)(0),s=(0,x.Z)(c,2),p=s[0],h=s[1],f=(0,d.useState)(0),m=(0,x.Z)(f,2),g=m[0],b=m[1],y=(0,d.useRef)(null);(0,d.useEffect)((function(){y.current&&(h(y.current.clientHeight),b(y.current.clientWidth))}));var C=function(n,e,t,r,o,i){var a,l,c,s=96+o,d=(null==r||null===(a=r.clientArea)||void 0===a?void 0:a.clientHeight)-32-i,p=(null==r||null===(l=r.clientArea)||void 0===l?void 0:l.clientWidth)-32-o;if(!t.hovering)return null;var h=function(n){if(!n)return[];for(var e=[],t={x:n[0][0],y:n[0][1]},r=1;rd&&(C=b.y-i),n>p&&(y=m.x-o,C=m.y-i/2),n2&&void 0!==arguments[2]?arguments[2]:{},r=e.struct,o=e.tool,i=e.toolOpts,a=e.options;r!==t.struct&&n.struct(r),o===t.tool&&i===t.toolOpts||(n.tool(o,i),i!==t.toolOpts&&n.event.message.dispatch({info:JSON.stringify(i)})),t.options&&a!==t.options&&n.options(a),Object.keys(n.event).forEach((function(r){var o="on".concat((0,C.upperFirst)(r));e[o]!==t[o]&&(t[o]&&n.event[r].remove(t[o]),e[o]&&n.event[r].add(e[o]))}))}var NS,$S,kS,IS,TS,_S=function(n){(0,h.Z)(a,n);var e,t,i=(e=a,t=function(){if("undefined"==typeof Reflect||!Reflect.construct)return!1;if(Reflect.construct.sham)return!1;if("function"==typeof Proxy)return!0;try{return Boolean.prototype.valueOf.call(Reflect.construct(Boolean,[],(function(){}))),!0}catch(n){return!1}}(),function(){var n,r=(0,m.Z)(e);if(t){var o=(0,m.Z)(this).constructor;n=Reflect.construct(r,arguments,o)}else n=r.apply(this,arguments);return(0,f.Z)(this,n)});function a(n){var e;return(0,c.Z)(this,a),e=i.call(this,n),(0,r.Z)((0,q.Z)(e),"handleWheel",(function(n){n.ctrlKey&&(n.preventDefault(),1==(n.deltaY>0?-1:1)?e.props.onZoomIn():e.props.onZoomOut())})),e.state={enableCursor:!1,clientX:0,clientY:0},e.editorRef=(0,d.createRef)(),e.logRef=(0,d.createRef)(),e.updateFloatingToolsPositionOnScroll=e.updateFloatingToolsPositionOnScroll.bind((0,q.Z)(e)),e}return(0,s.Z)(a,[{key:"shouldComponentUpdate",value:function(n,e){return this.props.indigoVerification!==n.indigoVerification||e.enableCursor!==this.state.enableCursor}},{key:"UNSAFE_componentWillReceiveProps",value:function(n){PS(this.editor,n,this.props)}},{key:"componentDidMount",value:function(){var n=this;this.editor=new Ow(this.editorRef.current,DS({},this.props.options)),PS(this.editor,this.props),this.props.onInit&&this.props.onInit(this.editor),this.editor.event.message.add((function(e){var t=n.logRef.current;if(e.info&&n.props.showAttachmentPoints){try{var r=JSON.parse(e.info);t.innerHTML="Atom Id: ".concat(r.atomid,", Bond Id: ").concat(r.bondid)}catch(n){t.innerHTML=e.info}t.classList.add(xw)}else t.classList.remove(xw)})),this.editor.event.cursor.add((function(e){var t,r;switch(e.status){case"enable":n.editorRef.current.classList.add(Mw);var o=n.editorRef.current.getBoundingClientRect(),i=o.left,a=o.top,l=o.right,c=o.bottom;t=e.cursorPosition.clientX,r=e.cursorPosition.clientY;var s=t>=i&&t<=l&&r>=a&&t<=c;!n.state.enableCursor&&s&&n.setState({enableCursor:!0});break;case"move":n.editorRef.current.classList.add(Mw),n.setState({enableCursor:!0,clientX:t,clientY:r});break;case"disable":case"leave":n.editorRef.current.classList.remove(Mw),n.setState({enableCursor:!1});break;case"mouseover":n.editorRef.current.classList.add(Mw),n.setState({enableCursor:!0})}})),this.editor.event.message.dispatch({info:JSON.stringify(this.props.toolOpts)}),this.editorRef.current.addEventListener("wheel",this.handleWheel)}},{key:"componentWillUnmount",value:function(){!function(n,e){Object.keys(n.event).forEach((function(t){var r="on".concat((0,C.upperFirst)(t));e[r]&&n.event[t].remove(e[r])}))}(this.editor,this.props),this.editorRef.current.removeEventListener("wheel",this.handleWheel)}},{key:"updateFloatingToolsPositionOnScroll",value:function(){this.editor.rotateController.updateFloatingToolsPosition()}},{key:"render",value:function(){var n=this.props,e=n.Tag,t=void 0===e?"div":e,r=n.className,i=n.indigoVerification;n.struct,n.tool,n.toolOpts,n.options,n.onInit,n.onSelectionChange,n.onElementEdit,n.onEnhancedStereoEdit,n.onQuickEdit,n.onBondEdit,n.onZoomIn,n.onZoomOut,n.onRgroupEdit,n.onSgroupEdit,n.onRemoveFG,n.onMessage,n.onAromatizeStruct,n.onDearomatizeStruct,n.onAttachEdit,n.onCipChange,n.onConfirm,n.onShowInfo,n.onApiSettings,n.showAttachmentPoints,n.onUpdateFloatingTools;var a=(0,p.Z)(n,ES),l=this.state,c=l.clientX,s=void 0===c?0:c,u=l.clientY,d=void 0===u?0:u;return(0,o.jsxs)(t,DS(DS({className:(0,v.Z)("StructEditor-module_canvas__LLnzh",r)},a),{},{"data-testid":"ketcher-canvas",children:[(0,o.jsx)(gS,{children:(0,o.jsx)("div",{ref:this.editorRef,className:(0,v.Z)("StructEditor-module_intermediateCanvas__fR3ws"),onScroll:this.updateFloatingToolsPositionOnScroll})}),(0,o.jsx)(Ew,{Icon:Lc,PressedIcon:Rc,enableHandTool:this.state.enableCursor}),(0,o.jsx)("div",{className:"StructEditor-module_measureLog__B2wuy",ref:this.logRef}),i&&(0,o.jsx)("div",{className:"".concat("StructEditor-module_spinnerOverlay__5H1IM"," loading-spinner"),children:(0,o.jsx)(QC,{})}),(0,o.jsx)(MS,{clientX:s,clientY:d,render:this.props.render,groupStruct:this.props.groupStruct,sGroup:this.props.sGroup}),(0,o.jsx)(gy,{}),(0,o.jsx)(mS,{})]}))}}]),a}(d.Component);function BS(){return BS=Object.assign?Object.assign.bind():function(n){for(var e=1;e=0},onSelect:function(r,o){if(n.val){var i=n.val(r,e);void 0!==i&&t(i)}else{var a=o?o.indexOf(r):-1;t(a<0?o?[r].concat((0,O.Z)(o)):[r]:[].concat((0,O.Z)(o.slice(0,a)),(0,O.Z)(o.slice(a+1))))}}}}(n,t,o):function(n,e,t){return{selected:function(n,e){return e===n},onSelect:function(r){var o=n.val?n.val(r,e):r;void 0!==o&&t(o)}}}(n,t,o):function(n,e,t){var r={};return e&&("number"!==e.type&&"integer"!==e.type||(r={type:"text"})),QS({onChange:function(r){var o=n.val?n.val(r,e):r;t(o)}},r)}(n,t,o)}(e.component,n),e}return(0,s.Z)(i,[{key:"render",value:function(){var n=this.props;n.children,n.onChange;var e=n.innerRef,t=(0,p.Z)(n,WS);return(0,o.jsx)(lj,QS(QS({Component:this.component,ref:e},this.ctrl),t))}}]),i}(d.PureComponent),sj=d.forwardRef((function(n,e){return(0,o.jsx)(cj,QS({innerRef:e},n))})),uj=function(n){var e=n.className;return(0,o.jsx)(kd,{name:"chevron",className:(0,v.Z)(e,UC.chevronIcon)})},dj=function(n){var e,t=n.className,r=n.value,i=n.onChange,a=n.multiple,l=void 0!==a&&a,c=n.disabled,s=n.options,u=n.testId,p=(0,d.useState)(),h=(0,x.Z)(p,2),f=h[0],m=h[1];return(0,d.useEffect)((function(){var n;return s&&(n=s.find((function(n){return n.value===r}))),m(n)}),[s,r]),(0,o.jsx)(Q.Z,{className:(0,v.Z)(UC.selectContainer,t),value:null!==(e=null==f?void 0:f.value)&&void 0!==e?e:"",onChange:function(n){i(n.target.value)},multiple:l,disabled:c,MenuProps:{className:UC.dropdownList},IconComponent:uj,"data-testid":u,children:s&&s.map((function(n){return"string"==typeof(null==n?void 0:n.value)&&n.value.includes("Divider")?(0,o.jsx)(nn.Z,{className:UC.listDivider},n.value):(0,o.jsx)(en.Z,{value:n.value,disableRipple:!0,children:n.label},n.value)}))})},pj={"button-common-styles":"form-module_button-common-styles__BvKSn",scrollbar:"form-module_scrollbar__MgLtc",dataError:"form-module_dataError__IXK1h",inputWrapper:"form-module_inputWrapper__sIDHH"},hj=["schema","result","customValid"],fj=["labelPos","title","children"],mj=["name","onChange","component","labelPos","className"],vj=["dataError"],gj=["title","name","schema","testId"],bj=["pattern","maxLength","enum","enumNames"];function yj(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Cj(n){for(var e=1;e0&&i.push((0,o.jsx)("sup",{children:r[1]},i.length)),i.push(e.substring(a,r.index)+r[2]),r[3].length>0&&i.push((0,o.jsx)("sub",{children:r[3]},i.length)),a=r.index+r[0].length;return 0===a?i.push(e):i.push(e.substring(a,e.length)),mx({content:i,contentEditable:t})}function gx(n){var e=n.value;return(0,o.jsx)("input",{type:"text",spellCheck:!1,value:e,readOnly:!0,onChange:function(n){return n.preventDefault()}})}var bx=["values","round","loading","onAnalyse","onChangeRound"];function yx(n,e){return"number"==typeof n?n.toFixed(e):n.replace(/[0-9]*\.[0-9]+/g,(function(n){return(+n).toFixed(e)}))}var Cx=_p({enum:(0,C.range)(0,8)}),Ox=function(n){(0,h.Z)(i,n);var e,t,r=(e=i,t=function(){if("undefined"==typeof Reflect||!Reflect.construct)return!1;if(Reflect.construct.sham)return!1;if("function"==typeof Proxy)return!0;try{return Boolean.prototype.valueOf.call(Reflect.construct(Boolean,[],(function(){}))),!0}catch(n){return!1}}(),function(){var n,r=(0,m.Z)(e);if(t){var o=(0,m.Z)(this).constructor;n=Reflect.construct(r,arguments,o)}else n=r.apply(this,arguments);return(0,f.Z)(this,n)});function i(){return(0,c.Z)(this,i),r.apply(this,arguments)}return(0,s.Z)(i,[{key:"componentDidMount",value:function(){this.props.onAnalyse()}},{key:"render",value:function(){var n=this.props,e=n.values,t=n.round,r=n.loading;n.onAnalyse;var i=n.onChangeRound,a=(0,p.Z)(n,bx);return(0,o.jsx)(XC,{title:"Calculated Values",className:"Analyse-module_analyse__MR-Tu",withDivider:!0,needMargin:!0,valid:function(){return!0},buttons:["OK"],buttonsNameMap:{OK:"Close"},params:a,children:(0,o.jsx)("ul",{children:[{name:"Chemical Formula",key:"gross",withSelector:!1},{name:"Molecular Weight",key:"molecular-weight",round:"roundWeight",withSelector:!0},{name:"Exact Mass",key:"monoisotopic-mass",round:"roundMass",withSelector:!0},{name:"Elemental Analysis",key:"mass-composition",round:"roundElAnalysis",withSelector:!1}].map((function(n){return(0,o.jsxs)("li",{className:"Analyse-module_contentWrapper__B4WCi",children:[(0,o.jsxs)("div",{className:"Analyse-module_inputWrapper__uR995",children:[(0,o.jsxs)("label",{children:[n.name,":"]}),"gross"===n.key?(0,o.jsx)(vx,{value:e&&!r?e[n.key]:"",contentEditable:!1}):"mass-composition"===n.key?(0,o.jsx)("textarea",{readOnly:!0,value:e&&!r?yx(e[n.key],t[n.round]):0}):(0,o.jsx)(gx,{value:e&&!r?yx(e[n.key],t[n.round]):0})]}),n.withSelector?(0,o.jsxs)("div",{className:"Analyse-module_selectWrapper__xEkKL",children:[(0,o.jsx)("span",{children:"Decimal places"}),(0,o.jsx)(dj,{options:Cx,value:t[n.round],onChange:function(e){return i(n.round,e)},className:"Analyse-module_select__c6hFt"})]}):null]},n.key)}))})})}}]),i}(d.Component);(0,r.Z)(Ox,"contextType",wn);var wx=(0,E.$j)((function(n){return{values:n.options.analyse.values,loading:n.options.analyse.loading,round:{roundWeight:n.options.analyse.roundWeight,roundMass:n.options.analyse.roundMass,roundElAnalysis:n.options.analyse.roundElAnalysis}}}),(function(n){return{onAnalyse:function(){return n((function(n,e){n({type:"ANALYSE_LOADING"});var t=e(),r=t.editor,o=t.server,i=t.options.getServerSettings();return i.data={properties:["molecular-weight","most-abundant-mass","monoisotopic-mass","gross","mass-composition"]},Ft(r,o,"calculate",i).then((function(e){return n({type:"CHANGE_ANALYSE",data:{values:e}})})).catch((function(n){r.errorHandler(n)}))}))},onChangeRound:function(e,t){return n(function(n,e){return{type:"CHANGE_ANALYSE",data:(0,r.Z)({},n,e)}}(e,t))}}}))(Ox),Sx="Recognize-module_recognize__66jG2",jx="Recognize-module_footerContent__0MAC7",xx="Recognize-module_imagoVersion__nBIj6",Mx="Recognize-module_openButton__H-j5I",Ex="Recognize-module_imagesContainer__rXWWk",Ax="Recognize-module_topBody__ZCCjN",Dx="Recognize-module_output__WgRnP",Px="Recognize-module_picture__x2Y7S",Nx="Recognize-module_filename__-1HIU",$x="Recognize-module_messageContainer__tMvyb",kx="Recognize-module_primaryButton__rzm03",Ix="Recognize-module_secondaryButton__H1Q28",Tx="Recognize-module_struct__W55TL",_x=function(n){var e=n.clickHandler,t=n.label,r=n.title,i=n.styles,a=n.disabled;return(0,o.jsx)("input",{type:"button",className:i,value:t,title:r||t,disabled:a,onClick:e},"Open")},Bx=["file","structStr","fragment","version","imagoVersions","onOk"],Lx=["onRecognize","isFragment","onImage","onChangeImago"];function Vx(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function Rx(n){for(var e=1;e,<=]?[0-9]+$/g)||n.match(/^[0-9]+-[0-9]+$/g)}))}},init:i},e),{},{children:[(0,o.jsx)(jj,{name:"range"}),(0,o.jsx)(jj,{name:"resth",labelPos:"after",className:"RgroupLogic-module_resth__RL2qE"}),(0,o.jsx)(CM,{name:"ifthen",label:t,rgroupLabels:r})]}))})})),xM=function(n){var e=n.fileName;return(0,o.jsxs)("div",{className:"AnalyzingFile-module_analyzingFileWrapper__j0Ltf",children:[e&&(0,o.jsxs)("div",{className:"AnalyzingFile-module_fileBox__ywFIh",children:[(0,o.jsx)(kd,{name:"file-thumbnail"}),(0,o.jsx)("p",{children:e})]}),(0,o.jsx)(QC,{})]})},MM="OpenOptions-module_dropContainer__PL6Tg",EM="OpenOptions-module_buttonLabelWrapper__h2YsI",AM="OpenOptions-module_buttonLabel__LiY--",DM="OpenOptions-module_textLabelWrapper__Vx8NF",PM="OpenOptions-module_textLabel__TlOfz",NM="OpenOptions-module_dropIconWrapper__ibBQx",$M=["buttonLabel","textLabel","iconName","disabled","disabledText"];function kM(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function IM(n){for(var e=1;e:?"*\\\\|\\/][^<>:?"*\\\\|\\/]*$',invalidMessage:function(n){return n?n.length>128?"Filename is too long":"A filename cannot contain characters: \\ / : * ? \" < > | and cannot start with '.'":"Filename should contain at least one character"}},format:{title:"File format:",enum:Object.keys(u.xz_),enumNames:Object.keys(u.xz_).map((function(n){return u.xz_[n].name}))}}},eE=function(n){(0,h.Z)(a,n);var e,t,i=(e=a,t=function(){if("undefined"==typeof Reflect||!Reflect.construct)return!1;if(Reflect.construct.sham)return!1;if("function"==typeof Proxy)return!0;try{return Boolean.prototype.valueOf.call(Reflect.construct(Boolean,[],(function(){}))),!0}catch(n){return!1}}(),function(){var n,r=(0,m.Z)(e);if(t){var o=(0,m.Z)(this).constructor;n=Reflect.construct(r,arguments,o)}else n=r.apply(this,arguments);return(0,f.Z)(this,n)});function a(n){var e;(0,c.Z)(this,a),e=i.call(this,n),(0,r.Z)((0,q.Z)(e),"isImageFormat",(function(n){return!!(0,u.voO)(n)})),(0,r.Z)((0,q.Z)(e),"isBinaryCdxFormat",(function(n){return"binaryCdx"===n})),(0,r.Z)((0,q.Z)(e),"showStructWarningMessage",(function(n){var t=e.props.formState.errors;return"mol"!==n&&Object.keys(t).length>0})),(0,r.Z)((0,q.Z)(e),"changeType",(function(n){var t=e.props,r=t.struct,o=t.server,i=t.options,a=t.formState,l=t.ignoreChiralFlag,c=t.bondThickness,s=e.context.errorHandler;if(e.isImageFormat(n)){var d=(new u.F_l).serialize(r);e.setState({disableControls:!0,tabIndex:0,imageFormat:n,structStr:d,isLoading:!0});var p={};return p.outputFormat=n,p.bondThickness=c,o.generateImageAsBase64(d,p).then((function(n){e.setState({disableControls:!1,tabIndex:0,imageSrc:n,isLoading:!1})})).catch((function(n){return s(n),e.props.onResetForm(a),n}))}return e.setState({disableControls:!0,isLoading:!0}),new u.Yyn(o).create(n,QM(QM({},i),{},{ignoreChiralFlag:l})).getStructureFromStructAsync(r).then((function(n){e.setState({tabIndex:0,structStr:n})}),(function(n){return s(n.message),e.props.onResetForm(a),n})).finally((function(){e.setState({disableControls:!1,tabIndex:0,isLoading:!1})}))})),(0,r.Z)((0,q.Z)(e),"changeTab",(function(n){e.setState({tabIndex:n})})),(0,r.Z)((0,q.Z)(e),"getWarnings",(function(n){var t=e.props,r=t.struct,o=t.moleculeErrors,i=[];if(!e.isImageFormat(n)){var a=function(n,e){var t=[],r=(0,u.ymK)(e).name,o=n.rxnArrows.size,i=n.hasRxnArrow();if("smiles"!==e&&"smarts"!==e||t.push("Structure contains query properties of atoms and bonds that are not supported in the ".concat(null==e?void 0:e.toUpperCase(),". Query properties will not be reflected in the file saved.")),"smiles"===e){var a=Array.from(n.atoms.values()).some((function(n){return n.pseudo}));a&&t.push("Structure contains generic atoms. They will be saved as any atom (*).")}if("ket"!==e){if(i){var l=Array.from(n.rxnArrows.values())[0].mode;l!==u.mWk.OpenAngle&&t.push("The ".concat(r," format does not support drawn elements: the reaction ").concat(l," arrow will be replaced with the reaction arrow"))}o>1&&t.push("The ".concat(r," format does not support drawn elements: reaction arrows will be lost."))}if(["inChI","inChIAuxInfo","inChIKey","smiles","smilesExt"].includes(e)){0!==n.rgroups.size&&t.push("In ".concat(r," the structure will be saved without R-group fragments"));var c=(n=n.clone()).atoms.find((function(n,e){return"R#"===e.label}));null!==c&&t.push("In ".concat(r," the structure will be saved without R-group members")),null!==n.sgroups.find((function(n,e){return"MUL"!==e.type&&!/^INDIGO_.+_DESC$/i.test(e.data.fieldName)}))&&t.push("In ".concat(r," the structure will be saved without S-groups"))}if(["smiles","smilesExt","smarts","inChI","inChIAuxInfo","inChIKey","cml"].includes(e)){var s=n.atoms.find((function(n,e){return e.explicitValence>=0}));null!==s&&t.push("In ".concat(r," valence is not supported"))}return["mol","rxn"].includes(e)&&Array.from(n.frags.values()).some((function(n){return!(null==n||!n.enhancedStereoFlag)&&n.enhancedStereoFlag!==u.Jj2.Abs}))&&t.push("Structure contains enhanced stereochemistry features. Information will be partly lost."),["inChI","inChIAuxInfo","inChIKey","smiles","smilesExt"].includes(e)&&0!==n.functionalGroups.size&&t.push("In ".concat(r," the structure will be saved without functional groups.")),["cml"].includes(e)&&0!==n.functionalGroups.size&&t.push("Structure contains functional groups. In ".concat(r," information will be partly lost.")),0!==t.length?t.join("\n"):null}(r,n);e.showStructWarningMessage(n)&&i.push("Structure contains errors, please check the data, otherwise you can lose some properties or the whole structure after saving in this format."),a&&i.push(a)}return o&&i.push.apply(i,(0,O.Z)(Object.values(o))),i})),(0,r.Z)((0,q.Z)(e),"renderForm",(function(){var n=Object.assign({},e.props.formState),t=n.result,r=t.filename,i=t.format,a=0===e.getWarnings(i).length?[{caption:"Preview",component:e.renderSaveFile,tabIndex:0}]:[{caption:"Preview",component:e.renderSaveFile,tabIndex:0},{caption:"Warnings",component:e.renderWarnings,tabIndex:1}];return(0,o.jsxs)("div",{className:"Save-module_formContainer__v1pIq",children:[(0,o.jsxs)(wj,QM(QM({schema:e.saveSchema,init:{filename:r,format:e.isRxn?"rxn":"mol"}},n),{},{children:[(0,o.jsx)(jj,{name:"filename"}),(0,o.jsx)(jj,{name:"format",onChange:e.changeType,options:_p(e.saveSchema.properties.format),component:dj,testId:"file-format-dropdown"})]})),(0,o.jsx)(YM,{className:"Save-module_tabs__TOB-R",captions:a,tabIndex:e.state.tabIndex,changeTab:e.changeTab,tabs:a})]})})),(0,r.Z)((0,q.Z)(e),"renderSaveFile",(function(){var n=Object.assign({},e.props.formState);delete n.moleculeErrors;var t=n.result.format,r=e.state,i=r.structStr,a=r.imageSrc,l=r.isLoading,c=e.props.struct.isBlank();return l?(0,o.jsx)((function(){return(0,o.jsx)("div",{className:"Save-module_loadingCirclesContainer__COUKN",children:(0,o.jsx)(QC,{})})}),{}):e.isImageFormat(t)?(0,o.jsx)((function(){return(0,o.jsx)("div",{className:"Save-module_imageContainer__gFELk",children:!c&&(0,o.jsx)("img",{src:"data:image/".concat(t,"+xml;base64,").concat(a),alt:"".concat(t," preview")})})}),{}):e.isBinaryCdxFormat(t)?(0,o.jsx)((function(){return(0,o.jsx)("div",{className:JM,children:(0,o.jsx)("textarea",{value:"Can not display binary content",className:qM,readOnly:!0,ref:e.textAreaRef})})}),{}):(0,o.jsx)((function(){return(0,o.jsx)("div",{className:JM,children:(0,o.jsx)("textarea",{value:i,className:qM,readOnly:!0,ref:e.textAreaRef})})}),{})})),(0,r.Z)((0,q.Z)(e),"renderWarnings",(function(){var n=Object.assign({},e.props.formState).result.format,t=e.getWarnings(n);return t.length?(0,o.jsx)("div",{className:"Save-module_warnings__1PxJT",children:t.map((function(n){return(0,o.jsx)("div",{className:"Save-module_warningsContainer__-3yVy",children:(0,o.jsx)("span",{className:"Save-module_warningsArr__bKUFY",children:n})})}))}):null})),(0,r.Z)((0,q.Z)(e),"getButtons",(function(){var n=e.state,t=n.disableControls,r=n.imageFormat,i=n.isLoading,a=n.structStr,l=e.props,c=l.formState,s=l.bondThickness,d=c.result,p=d.filename,h=d.format,f=e.props.struct.isBlank(),m=e.isBinaryCdxFormat(h)&&!i?(0,u.Mih)(a):a,v=e.props.struct.atoms.size&&e.props.struct.bonds.size,g=[(0,o.jsx)("button",{className:"Save-module_saveTmpl__O-d0T",disabled:t||f||!v,onClick:function(){return e.props.onTmplSave(e.props.struct)},children:"Save to Templates"},"save-tmpl")];return g.push((0,o.jsx)("button",{mode:"onCancel",className:"Save-module_cancel__SMkEV",onClick:function(){return e.props.onOk({})},type:"button",children:"Cancel"},"cancel")),e.isImageFormat(h)?g.push((0,o.jsx)(Gj,{mode:"saveImage",data:a,filename:p,outputFormat:r,bondThickness:s,type:"image/".concat(h,"+xml"),onSave:e.props.onOk,disabled:t||!c.valid||f||!e.props.server,className:WM,children:"Save"},"save-image-button")):g.push((0,o.jsx)(Gj,{mode:"saveFile",data:m,filename:p+(0,u.ymK)(h).extensions[0],type:h.mime,server:e.props.server,onSave:e.props.onOk,disabled:t||!c.valid||f,className:WM,children:"Save"},"save-file-button")),g})),e.state={disableControls:!0,imageFormat:"svg",tabIndex:0,isLoading:!0},e.isRxn=e.props.struct.hasRxnArrow(),e.textAreaRef=(0,d.createRef)();var t=e.props.server?["ket",e.isRxn?"rxn":"mol",e.isRxn?"rxnV3000":"molV3000","sdf","sdfV3000","smarts","smiles","smilesExt","cml","<----firstDivider---\x3e","inChI","inChIAuxInfo","inChIKey","<----secondDivider---\x3e","svg","png","cdxml","cdx","binaryCdx"]:["ket",e.isRxn?"rxn":"mol","smiles"];return e.saveSchema=nE,e.saveSchema.properties.format=Object.assign(e.saveSchema.properties.format,{enum:t,enumNames:t.map((function(n){var e=(0,u.ymK)(n)||(0,u.voO)(n);return null==e?void 0:e.name}))}),e}return(0,s.Z)(a,[{key:"componentDidMount",value:function(){var n=this,e=this.props.checkState.checkOptions;this.props.onCheck(e),this.changeType(this.isRxn?"rxn":"mol").then((function(e){return e instanceof Error&&n.setState({disableControls:!0})}))}},{key:"render",value:function(){return(0,o.jsx)(XC,{className:"Save-module_dialog__of-0M",title:"Save Structure",params:this.props,buttons:this.getButtons(),needMargin:!1,withDivider:!0,children:this.renderForm()})}}]),a}(d.Component);(0,r.Z)(eE,"contextType",wn);var tE=(0,K.P1)([function(n){return n.options}],(function(n){return n.getServerSettings()})),rE=(0,E.$j)((function(n){return{server:n.options.app.server?n.server:null,struct:n.editor.struct(),options:tE(n),formState:n.modal.form,moleculeErrors:n.modal.form.moleculeErrors,checkState:n.options.check,bondThickness:n.options.settings.bondThickness,ignoreChiralFlag:n.editor.render.options.ignoreChiralFlag}}),(function(n){return{onCheck:function(e){return n(Rt(e))},onTmplSave:function(e){return n(function(n){var e={struct:n.clone(),props:{}};return function(n,t){op(n,"attach",{tmpl:e}).then((function(r){var o=r.name,i=r.attach;e.struct.name=o.trim(),e.props=ap(ap({},i),{},{group:"User Templates"});var a=t().templates.lib.concat(e);n(ue(a)),sp(a)})).catch((function(){return null}))}}(e))},onResetForm:function(e){return n(ze(e))}}}))(eE),oE="enhancedStereo-module_labelGroupSelect__K7TYC",iE=["struct","formState","init"];function aE(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function lE(n){for(var e=1;e1?t:"")+i)},l=n.formState,c=(0,p.Z)(n,sE),s=l.result,u=l.valid;return(0,o.jsx)(XC,{title:"Label Edit",valid:function(){return u},withDivider:!0,needMargin:!1,result:function(){return pE(s.label)},className:"labelEdit-module_labelEdit__9LnIH",buttons:["Cancel","OK"],buttonsNameMap:{OK:"Apply"},focusable:!1,params:c,children:(0,o.jsx)(wj,dE(dE({schema:nt,customValid:{label:function(n){return pE(n)}},init:a},l),{},{children:(0,o.jsx)(jj,{name:"label",maxLength:"20",size:"10",autoFocus:!0,className:"labelEdit-module_labelEditInputField__tb-J4"})}))})}));function fE(n){var e=n.el,t=n.isInfo,r={color:u.wql[e.label]||"black",fontSize:"12px"},i={color:u.wql[e.label]||"black",fontWeight:"bold",fontSize:"18px"};return(0,o.jsxs)("div",{className:(0,v.Z)("AtomInfo-module_ket_atom_info__GOuZ6",!t&&"AtomInfo-module_none__PRuzx"),children:[(0,o.jsx)("div",{style:r,children:e.number}),(0,o.jsx)("span",{style:i,children:e.label}),(0,o.jsx)("br",{}),e.title,(0,o.jsx)("br",{}),e.mass]})}function mE(){return(0,o.jsx)("tbody",{children:(0,o.jsx)("tr",{children:(0,C.range)(0,19).map((function(n){return(0,o.jsx)("th",{children:n||""},n)}))})})}function vE(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function gE(n){for(var e=1;e1&&void 0!==arguments[1]&&arguments[1]){var t=e.result(),r=e.state.type;t&&"atom"===r&&e.props.onOk(e.result())}else{var o=e.state,i=o.type,a=o.value;e.setState({value:"atom"===i||"gen"===i?n:(0,C.xor)([n],a)})}})),(0,r.Z)((0,q.Z)(e),"result",(function(){var n=e.state,t=n.type,r=n.value;return r&&r.length?"atom"===t?{label:r,pseudo:null}:"gen"===t?{type:t,label:r,pseudo:r}:{type:t,values:r}:null})),(0,r.Z)((0,q.Z)(e),"currentEvents",(function(n){return{onMouseEnter:function(){return e.setState({current:n,isInfo:!0})},onMouseLeave:function(){return e.setState({isInfo:!1})}}})),e.state={type:n.type||"atom",value:n.values||(n.pseudo?null:n.label)||null,current:u.eKO.get(2),isInfo:!1},e}return(0,s.Z)(a,[{key:"render",value:function(){var n=this,e=this.state.value,t=this.headerContent;return(0,o.jsx)(XC,{headerContent:(0,o.jsx)(t,{}),className:"PeriodTable-module_elementsTable__Vcz12",params:this.props,result:this.result,buttons:["Cancel","OK"],buttonsNameMap:{OK:"Add"},needMargin:!1,footerContent:(0,o.jsx)(nA,{value:this.state.type,onChange:this.changeType}),children:(0,o.jsxs)("div",{className:"PeriodTable-module_periodTable__l-Uqx",children:[(0,o.jsx)(fE,{el:this.state.current,isInfo:this.state.isInfo}),(0,o.jsx)($E,{value:e,currentEvents:this.currentEvents,selected:this.selected,onAtomSelect:function(e){return n.onAtomSelect(e)},onDoubleClick:function(e){return n.onAtomSelect(e,!0)}})]})})}}]),a}(d.Component);var rA=(0,E.$j)((function(n,e){return e.values||e.label?{}:(t=n.editor,(o=t.selection())&&1===Object.keys(o).length&&o.atoms&&1===Object.keys(o.atoms).length?function(n){for(var e=1;e1&&void 0!==arguments[1]&&arguments[1];i(e),t&&n.onOk(a())},disabledQueryElements:n.disabledQueryElements})})})),lA="RemoveFG-module_window__6PHH4",cA="RemoveFG-module_question__J8Qzx",sA="RemoveFG-module_header__1hBAs",uA="RemoveFG-module_footer__8wImu",dA="RemoveFG-module_buttonOk__zR5x4",pA="RemoveFG-module_buttonCancel__xCaJt";function hA(n,e){(null==e||e>n.length)&&(e=n.length);for(var t=0,r=new Array(e);t50?50:40}var uD="TemplateTable-module_td__6LIhx",dD="TemplateTable-module_button__dpOF0";function pD(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function hD(n){for(var e=1;e0&&(a.current=setTimeout((function(){return p(n)}),300))}),[]);return(0,d.useEffect)((function(){var t,r=null!==(t=Tp(n,e)[OD])&&void 0!==t?t:[];p(r)}),[n,p]),(0,d.useEffect)((function(){if(o)i(!1);else{clearTimeout(a.current);var t=Tp(n,e)[OD];u(t)}}),[n,e]),s}(v,t),A=(0,d.useState)(f[DD]),D=(0,x.Z)(A,2),P=D[0],N=D[1],$=AD(n);(0,d.useEffect)((function(){N(Tp(f,t)[DD])}),[f,t]),(0,d.useEffect)((function(){var n;null===(n=y.current)||void 0===n||n.focus(),g(null)}),[c,g]),(0,d.useEffect)((function(){null!==h&&a(h)}),[h,a]);var k=new u.Ruh,I=(e={},(0,r.Z)(e,gD.TemplateLibrary,m),(0,r.Z)(e,gD.FunctionalGroupLibrary,f),(0,r.Z)(e,gD.SaltsAndSolvents,v),e),T=k.serialize(I[c]),_=function(e){l(e.props.group),n.onSelect(e)};return(0,o.jsxs)(XC,{headerContent:(0,o.jsx)(PD,{}),footerContent:(0,o.jsx)(ND,{tab:c,data:T}),className:"".concat(GA.dialog_body),params:(0,C.omit)(["group"],b),buttons:[],needMargin:!1,children:[(0,o.jsxs)("div",{className:GA.inputContainer,children:[(0,o.jsx)(sj,{ref:y,className:GA.input,type:"search",value:t,onChange:function(n){return i(n)},placeholder:"Search by elements...",isFocused:!0}),(0,o.jsx)(kd,{name:"search",className:GA.searchIcon})]}),(0,o.jsxs)(pn.Z,{value:c,onChange:function(n,e){return function(n){a(n)}(e)},className:GA.tabs,children:[(0,o.jsx)(hn.Z,xD({label:"Template Library"},ED(gD.TemplateLibrary))),(0,o.jsx)(hn.Z,xD({label:"Functional Groups"},ED(gD.FunctionalGroupLibrary))),(0,o.jsx)(hn.Z,xD({label:"Salts and Solvents"},ED(gD.SaltsAndSolvents)))]}),(0,o.jsxs)("div",{className:GA.tabsContent,children:[(0,o.jsx)(MD,{value:c,index:gD.TemplateLibrary,children:(0,o.jsx)("div",{children:Object.keys($).length?Object.keys($).map((function(e){var t,r=j.includes(e);return(0,o.jsxs)(sn.Z,{square:!0,onChange:(t=e,function(n,e){M(e?[].concat((0,O.Z)(j),[t]):(0,O.Z)(j).filter((function(n){return n!==t})))}),expanded:r,children:[(0,o.jsxs)(un.Z,{className:GA.accordionSummary,expandIcon:(0,o.jsx)(kd,{className:GA.expandIcon,name:"chevron"}),children:[(0,o.jsx)(kd,{name:"elements-group",className:GA.groupIcon}),"".concat(Ip(e)," (").concat($[e].length,")")]}),(0,o.jsx)(dn.Z,{children:(0,o.jsx)(bD,{templates:r?$[e]:[],onSelect:function(n){return _(n)},selected:n.selected,onDelete:n.onDelete,onAttach:n.onAttach,renderOptions:n.renderOptions})})]},e)})):(0,o.jsx)("div",{className:GA.resultsContainer,children:(0,o.jsx)(CD,{textInfo:"No items found"})})})}),(0,o.jsx)(MD,{value:c,index:gD.FunctionalGroupLibrary,children:null!=P&&P.length?(0,o.jsx)("div",{className:GA.resultsContainer,children:(0,o.jsx)(bD,{titleRows:1,templates:P,onSelect:function(n){return _(n)},selected:n.selected,renderOptions:n.renderOptions})}):(0,o.jsx)("div",{className:GA.resultsContainer,children:(0,o.jsx)(CD,{textInfo:"No items found"})})}),(0,o.jsx)(MD,{value:c,index:gD.SaltsAndSolvents,children:null!=E&&E.length?(0,o.jsx)("div",{className:GA.resultsContainer,children:(0,o.jsx)(bD,{titleRows:1,templates:E,onSelect:function(n){return _(n)},selected:n.selected,renderOptions:n.renderOptions})}):(0,o.jsx)("div",{className:GA.resultsContainer,children:(0,o.jsx)(CD,{textInfo:"No items found"})})})]})]})})),kD=function(n){var e,t,r,i=n.editorState,a=n.setEditorState,l=n.styles,c="13px",s=(0,d.useState)(!1),u=(0,x.Z)(s,2),p=u[0],h=u[1],f=(0,d.useState)(c),m=(0,x.Z)(f,2),v=m[0],g=m[1],b=(0,d.useRef)(null);e=b,t=function(){return h(!1)},r=function(n){var r;null!==(r=e.current)&&void 0!==r&&r.contains(n.target)||t()},(0,d.useEffect)((function(){return document.addEventListener("click",r),function(){document.removeEventListener("click",r)}}),[]);var y=l.fontSize.current(i);(0,d.useEffect)((function(){g(y||c)}),[y]);var O=(0,C.range)(4,145),w=(0,d.useMemo)((function(){return O.map((function(n){return(0,o.jsx)("div",{className:"FontControl-module_fontSizeOption__eGz-q",onMouseDown:function(e){return function(n,e){n.preventDefault(),g(e);var t=l.fontSize.remove(i);a(l.fontSize.add(t,e)),h(!1)}(e,"".concat(n,"px"))},children:n},n)}))}),[p]);return(0,o.jsxs)("div",{ref:b,children:[(0,o.jsx)("button",{className:"FontControl-module_fontBtn__zGgG3",onMouseDown:function(n){n.preventDefault(),h(!p)},children:parseFloat(v)}),p?(0,o.jsx)("div",{className:"FontControl-module_fontSizeMenu__4RvmP",children:w}):null]})},ID=function(n){var e=n.select;return(0,o.jsx)("div",{className:"SpecialSymbolsList-module_window__4tD1N",children:["α","β","γ","δ","ε","ζ","η","θ","ι","κ","λ","μ","ν","ξ","ο","π","ρ","σ","τ","υ","φ","χ","ψ","ω","℃","℉","Å","°","ħ","±","‰","√","←","→","←/","/→","↔","∏","∑","∞","∂","∆","∫","≈","=/","≤","≥"].map((function(n,t){return(0,o.jsx)("button",{className:"SpecialSymbolsList-module_button__uCp6O",value:n,onMouseDown:function(t){e(t,n)},children:(0,o.jsx)(kd,{name:n})},"symbol-".concat(t))}))})},TD=function(n){var e=n.editorState,t=n.setEditorState,r=n.styles,i=(0,d.useState)(!1),a=(0,x.Z)(i,2),l=a[0],c=a[1];return(0,o.jsxs)("div",{onBlur:function(n){n.currentTarget.contains(n.relatedTarget)||function(n){n.stopPropagation(),n.preventDefault(),c(!1)}(n)},children:[(0,o.jsx)("button",{title:"symbols",onMouseDown:function(n){n.preventDefault(),c(!l)},className:l?"SpecialSymbolsButton-module_activeTextButton__jbgHY":"SpecialSymbolsButton-module_textButton__1gh-c",children:(0,o.jsx)(kd,{name:"text-special-symbols"})}),l&&(0,o.jsx)(ID,{select:function(n,o){n.preventDefault();var i=e.getSelection(),a=e.getCurrentContent(),l=fn.Modifier.replaceText(a,i,o,r),s=fn.EditorState.push(e,l,"insert-characters");t(s),c(!1)}})]})},_D=function(n){return(0,o.jsx)("button",{className:(0,v.Z)("TextButton-module_textButton__Ocny2",(0,r.Z)({},"TextButton-module_isActive__DQ-xh",n.active)),title:n.button.command.toLowerCase(),onMouseDown:function(e){!function(e,t){e.preventDefault(),n.toggleStyle(t)}(e,n.button.command)},children:(0,o.jsx)(kd,{name:n.button.name})})},BD=(0,mn.ZP)(["font-size"]),LD=BD.styles,VD=BD.customStyleFn,RD=[{command:u.Cv7.Bold,name:"text-bold"},{command:u.Cv7.Italic,name:"text-italic"},{command:u.Cv7.Superscript,name:"text-superscript"},{command:u.Cv7.Subscript,name:"text-subscript"}],zD=(0,E.$j)((function(n){return{formState:n.modal}}))((function(n){var e=n.formState,t=n.position,r=n.id,i=n.content?JSON.parse(n.content):null,a=(0,d.useState)(fn.EditorState.moveFocusToEnd(fn.EditorState.createWithContent((0,fn.convertFromRaw)(i||{blocks:[],entityMap:{}})))),l=(0,x.Z)(a,2),c=l[0],s=l[1],p=c.getCurrentInlineStyle(),h=(0,d.useCallback)((function(n){var e=c;switch(n){case u.Cv7.Subscript:p.has(u.Cv7.Superscript)&&(e=fn.RichUtils.toggleInlineStyle(e,u.Cv7.Superscript));break;case u.Cv7.Superscript:p.has(u.Cv7.Subscript)&&(e=fn.RichUtils.toggleInlineStyle(e,u.Cv7.Subscript))}e=fn.RichUtils.toggleInlineStyle(e,n),s(e)}),[p,c]),f=(0,d.useRef)(),m=(0,d.useCallback)((function(){f.current.focus()}),[f]);return(0,d.useEffect)((function(){m()}),[m]),(0,o.jsxs)(XC,{className:"Text-module_textEditor__EFR54",title:"Text Editor",params:n,result:function(){var n=c.getCurrentContent();return{content:n.hasText()?JSON.stringify((0,fn.convertToRaw)(n)):"",position:t,id:r}},valid:function(){return e.form.valid},buttonsNameMap:{OK:"Apply"},buttons:["Cancel","OK"],withDivider:!0,children:[(0,o.jsxs)("div",{className:"Text-module_controlPanel__agLDc",onClick:m,children:[RD.map((function(n){return(0,o.jsx)(_D,{button:n,active:p.has(n.command),toggleStyle:h},n.name)})),(0,o.jsx)(TD,{editorState:c,setEditorState:s,styles:p}),(0,o.jsx)("span",{children:"Font Size"}),(0,o.jsx)(kD,{editorState:c,setEditorState:s,styles:LD})]}),(0,o.jsx)("span",{children:"Text:"}),(0,o.jsx)(fn.Editor,{keyBindingFn:function(n){return"Enter"===n.key&&n.stopPropagation(),(0,fn.getDefaultKeyBinding)(n)},editorState:c,onChange:function(n){s(n)},customStyleMap:{SUBSCRIPT:{verticalAlign:"sub",transform:"scale(0.7)",transformOrigin:"left"},SUPERSCRIPT:{verticalAlign:"super",transform:"scale(0.7)",transformOrigin:"left",lineHeight:0}},customStyleFn:VD,ref:f})]})})),FD=function(){return(0,o.jsxs)("div",{className:"PasteErrorModalBody-module_pasteErrorModalBody__ExG0r",children:[(0,o.jsx)("div",{children:"Your browser doesn't allow pasting clipboard content via button. Please use shortcut instead."}),(0,o.jsx)("div",{className:"PasteErrorModalBody-module_shortcutsBlock__e-wyA",children:(0,o.jsxs)("div",{className:"PasteErrorModalBody-module_shortcuts__x0xBs",children:[(0,o.jsx)("div",{className:"PasteErrorModalBody-module_shortcut__sED-E","data-testid":"infoModal-shortcut-for-paste",children:"CTRL/Cmd + V"}),(0,o.jsx)("div",{children:"for paste"})]})})]})},GD=(0,E.$j)((function(n){return{errorMessage:n.options.app.errorMessage}}),(function(n){return{onOk:function(e){n({type:"MODAL_CLOSE"})}}}))((function(n){var e,t=null!==(e=er.paste.title)&&void 0!==e?e:"Paste",r=n.message===t,i="This action is unavailable via menu. Instead, use shortcut to ".concat(n.message,"."),a=(0,o.jsx)("div",{children:"Error Message"});return(0,o.jsx)(XC,{className:"InfoModal-module_infoModal__0Vza1",params:n,buttons:[(0,o.jsx)("button",{onClick:n.onOk,className:"InfoModal-module_ok__BZ1ar",children:"Close"},"ok")],headerContent:a,children:(0,o.jsx)("div",{children:r?(0,o.jsx)(FD,{}):i})})})),HD={open:ZM,analyse:wx,recognize:Hx,"period-table":rA,"extended-table":aA,rgroup:yA,attach:cD,templates:$D,about:zS,miew:Wx,atomProps:oM,attachmentPoints:cM,automap:hM,bondProps:gM,check:dx,enhancedStereo:cE,labelEdit:hE,rgroupLogic:jM,removeFG:function(n){var e=(0,Bg().getKetcherInstance)().editor,t=n.fgIds,r=function(e,t){n[e](t)};return(0,o.jsxs)("div",{onSubmit:function(n){return n.preventDefault()},tabIndex:-1,className:lA,children:[(0,o.jsx)("header",{className:sA,children:"Edit Abbreviation"}),(0,o.jsx)("div",{className:cA,children:"A change was detected for the abbreviation. Do you want to remove the abbreviation information from the structure and continue work with separate atoms and bonds?"}),(0,o.jsxs)("footer",{className:uA,children:[(0,o.jsx)("input",{type:"button",value:"Cancel",className:pA,onClick:function(){return r("onOk",!1)}}),(0,o.jsx)("input",{type:"button",value:"Remove Abbreviation",className:dA,onClick:function(){return r("onOk",function(){if(t.length>0){var n,r=function(n,e){var t="undefined"!=typeof Symbol&&n[Symbol.iterator]||n["@@iterator"];if(!t){if(Array.isArray(n)||(t=function(n,e){if(n){if("string"==typeof n)return hA(n,e);var t=Object.prototype.toString.call(n).slice(8,-1);return"Object"===t&&n.constructor&&(t=n.constructor.name),"Map"===t||"Set"===t?Array.from(n):"Arguments"===t||/^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(t)?hA(n,e):void 0}}(n))||e&&n&&"number"==typeof n.length){t&&(n=t);var r=0,o=function(){};return{s:o,n:function(){return r>=n.length?{done:!0}:{done:!1,value:n[r++]}},e:function(n){throw n},f:o}}throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method.")}var i,a=!0,l=!1;return{s:function(){t=t.call(n)},n:function(){var n=t.next();return a=n.done,n},e:function(n){l=!0,i=n},f:function(){try{a||null==t.return||t.return()}finally{if(l)throw i}}}}(t);try{for(r.s();!(n=r.n()).done;){var o=n.value;e.update((0,u.U9$)(e.render.ctab,o))}}catch(n){r.e(n)}finally{r.f()}}return!0}())}})]})]})},save:rE,settings:ex,sgroup:FA,text:zD,confirm:function(n){var e=n.onOk,t=n.onCancel;return(0,o.jsxs)("div",{className:lA,children:[(0,o.jsx)("header",{className:sA,children:"Warning!"}),(0,o.jsx)("div",{className:cA,children:"Unsupported S-group type found. Would you like to import structure without it?"}),(0,o.jsxs)("footer",{className:uA,children:[(0,o.jsx)("input",{type:"button",value:"Cancel",className:pA,onClick:function(){return t()}}),(0,o.jsx)("input",{type:"button",value:"OK",className:dA,onClick:function(){return e()}})]})]})},"info-modal":GD},ZD=["modal"];function KD(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function UD(n){for(var e=1;e2){var o=Array.from(r.rgroups.keys());return t.range||(t.range=">0"),op(n,"rgroupLogic",Object.assign({rgroupLabels:o},t))}var i=Array.from(r.atoms.values()).reduce((function(n,e){return e.fragment===t.fragId&&null!==e.rglabel?n.concat(ut(e).values):n}),[]),a={type:"fragment",values:[t.label],disabledIds:i};return op(n,"rgroup",a).then((function(n){return{label:n.values[0]}}))},onSgroupEdit:function(e){return o(0).then((function(){return op(n,"sgroup",function(n){var e=n.type||"DAT",t=n.attrs,r=t.context,o=t.fieldName,i=t.fieldValue,a=t.absolute,l=t.attached;n.attrs.radiobuttons=!1===a&&!1===l?"Relative":l?"Attached":"Absolute",Pe[r][o]&&Pe[r][o].properties.fieldValue.items&&(n.attrs.fieldValue=i.split("\n"));var c="DAT"===e?{context:r||$e(De,"context"),fieldName:o||$e(De,"fieldName"),fieldValue:i||$e(De,"fieldValue")}:{};return Object.assign({type:e},n.attrs,c)}(e))})).then(Ct)},onRemoveFG:function(e){return o(0).then((function(){return op(n,"removeFG",e)}))},onMessage:function(n){n.error},onAromatizeStruct:function(n){var t=e(),r=t.options.getServerSettings();return Ft(t.editor,t.server,"aromatize",r,n).catch((function(n){return t.editor.errorHandler(n)}))},onDearomatizeStruct:function(n){var t=e(),r=t.options.getServerSettings();return Ft(t.editor,t.server,"dearomatize",r,n).catch((function(n){return t.editor.errorHandler(n)}))},onMouseDown:function(){r()},onConfirm:function(){return op(n,"confirm")},onShowInfo:function(e){if(e){var t=e.groupStruct,r=e.event,o=e.sGroup;ng(n,{groupStruct:t,event:r,sGroup:o})}else ng(n,{groupStruct:null,sGroup:null})},onApiSettings:function(e){return n(Oe(e))},onUpdateFloatingTools:Bp((function(e){n(function(n){return{type:"UPDATE_FLOATING_TOOLS",payload:n}}(e))})),onZoomIn:r,onZoomOut:r}}function eP(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function tP(n){for(var e=1;e=o?0:n.loweredAbbreviation.length}(n,t),i=n.loweredLabel.indexOf(t,r);if(-1===i)return n.label;var a=i+t.length,l=n.label.substring(0,i),c=n.label.substring(i,a),s=n.label.substring(a);return(0,o.jsxs)(o.Fragment,{children:[l,(0,o.jsx)("mark",{children:c}),s]})},sP=function(n){return n.label},uP=function(n,e){if(!e)return 0;var t=lP(n.loweredName,e),r=lP(n.loweredAbbreviation,e);return Math.max(t,r)},dP=function(n,e){if(!e.inputValue)return[];var t=e.inputValue.toLowerCase().trim(),r=n.filter((function(n){return n.loweredName.includes(t)||n.loweredAbbreviation&&n.loweredAbbreviation.includes(t)}));return r.sort((function(n,e){var r,o,i=n.loweredName.startsWith(t)||(null===(r=n.loweredAbbreviation)||void 0===r?void 0:r.startsWith(t)),a=e.loweredName.startsWith(t)||(null===(o=e.loweredAbbreviation)||void 0===o?void 0:o.startsWith(t));if(i&&!a)return-1;if(!i&&a)return 1;var l=uP(n,t),c=uP(e,t);return l>c?-1:l  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nBn\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    9.2471   -6.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2471   -7.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5306   -8.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5306   -8.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2489   -9.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9609   -8.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9609   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0  0  0  0\n  7  2  1  0  0  0  0\n  6  7  2  0  0  0  0\n  5  6  1  0  0  0  0\n  4  5  2  0  0  0  0\n  3  4  1  0  0  0  0\n  2  1  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SAP   1  1   1   0\nM  SMT   1 Bn\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nBoc\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0  0  1  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SAP   1  1   1   0\nM  SMT   1 Boc\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nBu\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n   12.6135   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3295   -7.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0455   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7615   -7.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 Bu\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n$$$$\n\nBz\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    9.1980   -7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1980   -7.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4815   -8.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4815   -9.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1998   -9.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9118   -9.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9118   -8.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9143   -6.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  2  1  0  0  0  0\n  1  8  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAP   1  1   1   0\nM  SMT   1 Bz\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCbz\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0  0  1  0  0  0  0  0999 V2000\n    8.5563    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8554    3.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8554    2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5563    1.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2573    2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2573    3.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9582    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6592    3.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3602    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3602    6.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 Cbz\nM  SAL   1 10   1   2   3   4   5   6   7   8   9  10\nM  SAP   1  1   9   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nC2H5\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n    2.3125   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0285   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  2   1   2\nM  SAP   1  1   1   0\nM  SMT   1 C2H5\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n$$$$\n\nCCl3\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    3.7449   -7.2954    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0\n    3.7449   -6.5524    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.5875   -7.2954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    2.9179   -7.2954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 CCl3\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n$$$$\n\nCF3\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    3.7449   -7.2954    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0\n    3.7449   -6.5524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5875   -7.2954    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9179   -7.2954    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 CF3\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCN\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  2  1  0  0  1  0  0  0  0  0999 V2000\n   -4.4500    5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9500    5.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 CN\nM  SAL   1 2   1   2\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCO2Et\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    8.1962   -6.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2413   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2187   -6.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1736   -6.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2641   -6.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  3  2  1  0  0  0  0\n  2  5  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   3   2   5   4\nM  SAP   1  1   1   0\nM  SMT   1 CO2Et\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCO2H\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n   13.6876   -8.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4041   -7.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9709   -7.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 CO2H\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCO2Me\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    8.4852   -6.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2023   -5.7617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9195   -6.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7680   -5.7617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  1  4  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 CO2Me\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCONH2\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  1  0  0  0  0  0999 V2000\n   -7.8000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0500    4.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0500    1.9510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 CONH2\nM  SAL   1 3   1   2   3\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCO2Pr\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    8.2161   -8.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2839   -7.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2611   -8.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2386   -7.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3068   -8.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1935   -7.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1  6  2  0  0  0  0\n  4  3  1  0  0  0  0\n  3  2  1  0  0  0  0\n  2  5  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   4   3   2   5   6\nM  SAP   1  1   1   0\nM  SMT   1 CO2Pr\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCO2tBu\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   12.5930   -8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8080   -7.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1803   -8.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9825   -8.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1974   -7.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7846   -8.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5697   -9.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SAP   1  1   1   0\nM  SMT   1 CO2tBu\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCp\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    9.2500   -7.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5798   -7.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8358   -8.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6642   -8.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9202   -7.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  1  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SAP   1  1   1   0\nM  SMT   1 Cp\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCPh3\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n 19 21  0  0  0  0  0  0  0  0999 V2000\n   15.9886   -1.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9886    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7001    0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7001    1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9909    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2735    1.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2735    0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9301   -0.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5932   -1.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3491   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4450   -0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7775    0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0261    0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0133   -0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8526    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0721    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4516   -0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6191   -0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4003   -1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  7  2  2  0  0  0  0\n  6  7  1  0  0  0  0\n  5  6  2  0  0  0  0\n  4  5  1  0  0  0  0\n  3  4  2  0  0  0  0\n  8  9  1  0  0  0  0\n 13  8  2  0  0  0  0\n 12 13  1  0  0  0  0\n 11 12  2  0  0  0  0\n 10 11  1  0  0  0  0\n  9 10  2  0  0  0  0\n 14 15  1  0  0  0  0\n 19 14  2  0  0  0  0\n 18 19  1  0  0  0  0\n 17 18  2  0  0  0  0\n 16 17  1  0  0  0  0\n 15 16  2  0  0  0  0\n  1  2  1  0  0  0  0\n  1  8  1  0  0  0  0\n  1 14  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\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  SAP   1  1   1   0\nM  SMT   1 CPh3\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nCy\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0  0  1  0  0  0  0  0999 V2000\n    3.9490   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9490   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1 6   1   2   3   4   5   6\nM  SAP   1  1   1   0\nM  SMT   1 Cy\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nEt\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   13.3295   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0455   -7.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nG    1  0\nEt\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  2   1   2\nM  SAP   1  1   1   0\nM  SMT   1 Et\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nFMOC\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n 17 19  0  0  1  0  0  0  0  0999 V2000\n    7.2573    3.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9582    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6592    3.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3602    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3602    6.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4141    2.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8814    2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6313    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6276    4.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0985    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5620    5.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5583    6.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0911    6.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4105    1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8740   -0.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3412   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3449    0.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9  1  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13  9  1  0  0  0  0\n  6 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17  7  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1 17   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17\nM  SAP   1  1   4   0\nM  SMT   1 FMOC\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\niBu\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    8.5340   -8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2500   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9660   -8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2500   -7.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 iBu\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nIndole\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  9 10  0  0  0  0  0  0  0  0999 V2000\n    6.0712   -7.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5571   -7.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0711   -8.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2847   -8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2847   -7.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5715   -7.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8554   -7.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8554   -8.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5732   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  1  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  9   1   2   3   4   5   6   7   8   9\nM  SAP   1  1   1   0\nM  SMT   1 Indole\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\niPr\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n   16.5000  -12.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7840  -12.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2160  -12.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  1  3  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 iPr\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nMe\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    9.2500   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  1   1\nM  SAP   1  1   1   0\nM  SMT   1 Me\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nMes\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  8  8  0  0  1  0  0  0  0  0999 V2000\n   -0.1000    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6500    0.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6500    2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1500    0.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9000    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1500    2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9000    4.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9000   -0.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\n  6  7  1  0  0  0  0\n  4  8  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1 8   1   2   3   4   5   6   7   8\nM  SAP   1  1   8   0\nM  SMT   1 Mes\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nMs\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n   13.6876   -8.4891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6876   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5143   -8.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8607   -8.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 Ms\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nNCO\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    6.2976   -9.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1250   -9.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9524   -9.9063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 NCO\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nNCS\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    7.0476   -8.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8750   -8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7024   -8.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 NCS\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nNHPh\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    6.5715   -5.1888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7479   -5.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3322   -4.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5051   -4.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0946   -5.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5086   -5.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3338   -5.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  2  0  0  0  0\n  2  3  1  0  0  0  0\n  7  2  2  0  0  0  0\n  6  7  1  0  0  0  0\n  5  6  2  0  0  0  0\n  4  5  1  0  0  0  0\n  1  2  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SAP   1  1   1   0\nM  SMT   1 NHPh\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nNO2\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  1  0  0  0  0  0999 V2000\n   -6.6000    4.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -5.8500    5.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.8500    3.1010    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\nM  CHG  2   1   1   3  -1\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 NO2\nM  SAL   1 3   1   2   3\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nOAc\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  1  0  0  0  0  0999 V2000\n   -8.0010    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7019    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.4029    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7019    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 OAc\nM  SAL   1 4   1   2   3   4\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nOCF3\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0  0  1  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 OCF3\nM  SAL   1 5   1   2   3   4   5\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nOCN\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    6.2976   -8.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1250   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9524   -8.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  3  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 OCN\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nOEt\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n   14.3514   -7.9669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6354   -8.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9194   -7.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 OEt\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nOMe\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   13.9934   -7.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2774   -8.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  2   1   2\nM  SAP   1  1   1   0\nM  SMT   1 OMe\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPh\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n   14.3985   -7.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3985   -8.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6865   -8.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9682   -8.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9682   -7.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6847   -7.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  1  6  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SAP   1  1   1   0\nM  SMT   1 Ph\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPhCOOH\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n   13.6014   -8.4081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8849   -7.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1683   -8.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4518   -7.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7352   -8.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7352   -9.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4518   -9.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1683   -9.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8849   -7.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  3  8  2  0  0  0  0\n  2  9  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  9   1   2   3   4   5   6   7   8   9\nM  SAP   1  1   1   0\nM  SMT   1 PhCOOH\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPiv\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  6  5  0  0  1  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9510   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 Piv\nM  SAL   1 6   1   2   3   4   5   6\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPO2\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    9.1697   -8.4569    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5847   -7.7424    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.3425   -8.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\nG    1  0\nM  CHG  1   2  -1\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 PO2\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPO3\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    7.8750   -3.5505    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0\n    8.7022   -3.5505    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.8750   -2.7234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0478   -3.5505    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\nM  CHG  2   2  -1   4  -1\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 PO3\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPO3H2\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  1  0  0  0  0  0999 V2000\n   -1.2500    0.8500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 PO3H2\nM  SAL   1 4   1   2   3   4\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPO4\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    9.6258   -5.7188    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0\n   10.4530   -5.7188    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.6258   -4.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7945   -5.7188    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.6258   -6.5459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nG    1  0\nM  CHG  3   2   0   4  -1   5  -1\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SAP   1  1   2   0\nM  SMT   1 PO4\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPO4H2\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0  0  1  0  0  0  0  0999 V2000\n   -2.7500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    0.8500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  1  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 PO4H2\nM  SAL   1 5   1   2   3   4   5\nM  SAP   1  1   5   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nPr\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n   12.9715   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6875   -7.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4035   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 Pr\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nsBu\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    5.6730   -8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9564   -8.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3895   -8.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1061   -8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 sBu\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSCN\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    4.9851   -6.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8125   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6399   -6.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  3  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 SCN\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO2\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    6.9189   -5.7696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3330   -5.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0918   -5.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SAP   1  1   1   0\nM  SMT   1 SO2\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO2Cl\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    8.8345   -7.9568    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0\n    9.6659   -7.9568    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.8345   -7.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0074   -7.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 SO2Cl\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO2H\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  3  2  0  0  1  0  0  0  0  0999 V2000\n   -1.2500    0.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 SO2H\nM  SAL   1 3   1   2   3\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO3\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    9.0313   -7.9568    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0\n    9.8626   -7.9568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0313   -7.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2042   -7.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  2  0  0  0  0\nG    1  0\nM  CHG  1   2  -1\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 SO3\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO3H\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  1  0  0  0  0  0999 V2000\n   -1.2500    0.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 SO3H\nM  SAL   1 4   1   2   3   4\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO4\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    7.6894   -6.2813    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0\n    8.5166   -6.2813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.6894   -5.4541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8582   -6.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6894   -7.1085    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  2  0  0  0  0\n  1  5  1  0  0  0  0\nG    1  0\nM  CHG  2   2   0   5  -1\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SAP   1  1   2   0\nM  SMT   1 SO4\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nSO4H\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  5  4  0  0  1  0  0  0  0  0999 V2000\n   -2.7500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    0.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  2  5  1  0  0  0  0\n  2  1  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 SO4H\nM  SAL   1 5   1   2   3   4   5\nM  SAP   1  1   5   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nster\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n17 20  0  0  0  0  0  0  0  0999 V2000\n   14.0708  -13.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0708  -12.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7877  -12.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5046  -12.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5046  -13.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7877  -14.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2215  -14.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9384  -13.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9384  -12.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2215  -12.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2215  -11.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9385  -11.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6553  -11.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6553  -12.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4426  -12.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9292  -12.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4427  -11.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10  4  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n  9 14  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 13 17  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1 17   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17\nM  SAP   1  1   1   0\nM  SMT   1 ster\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nTBDMS\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0  0  1  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  2  7  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 TBDMS\nM  SAL   1 7   1   2   3   4   5   6   7\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nTBDPS\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n 17 18  0  0  1  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  7  6  1  0  0  0  0\n  7  8  2  0  0  0  0\n  6  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11  8  1  0  0  0  0\n  1 12  1  0  0  0  0\n 13 12  1  0  0  0  0\n 13 14  2  0  0  0  0\n 12 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 14  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 TBDPS\nM  SAL   1 17   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\ntBu\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n   13.6875   -8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1875   -8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1875   -8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6875   -8.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\ntBu\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SAP   1  1   1   0\nM  SMT   1 tBu\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nTf\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   10.9688   -5.2936    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0\n   10.9688   -4.1127    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0\n    9.9456   -3.5220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9688   -2.9313    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9919   -3.5220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1499   -5.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7876   -5.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  1  6  2  0  0  0  0\n  1  7  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SAP   1  1   1   0\nM  SMT   1 Tf\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nTMS\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n  4  3  0  0  1  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SMT   1 TMS\nM  SAL   1 4   1   2   3   4\nM  SAP   1  1   1   0\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nTos\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0  0  1  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  2  0  0  0  0\n  2  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9  2  1  0  0  0  0\n  7 10  1  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1 10   1   2   3   4   5   6   7   8   9  10\nM  SAP   1  1   1   0\nM  SMT   1 Tos\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n\nTs\nKetcher 11161713142D 1   1.00000     0.00000     0\n\n 10 10  0  0  0  0  0  0  0  0999 V2000\n    9.2500   -9.7293    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2500   -8.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5318   -8.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5318   -7.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2483   -7.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9619   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9619   -8.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2483   -6.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0768   -9.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4232   -9.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  2  0  0  0  0\n  2  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  1  9  2  0  0  0  0\n  1 10  2  0  0  0  0\nG    1  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1 10   1   2   3   4   5   6   7   8   9  10\nM  SAP   1  1   1   0\nM  SMT   1 Ts\nM  END\n\n>  \nFunctional Groups\n\n>  \n0\n\n$$$$\n"),i=o.reduce((function(n,e){var t=e.struct;return[].concat((0,O.Z)(n),[t])}),[]),t.setFunctionalGroupsList(i),e({type:"FG_INIT",payload:{lib:o}}),e(Ce({functionalGroups:!0}));case 7:case"end":return n.stop()}}),n)}))),function(e){return n.apply(this,arguments)})),e(function(){return n=(0,i.Z)(l().mark((function n(e){var t,r,o,i,a;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:t=u.o2T.getInstance(),r=u.uMq.getInstance(),o=new u.Ruh,i=o.deserialize("acetic acid\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.5143    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7848   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8133   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5143    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 acetic acid\nM  END\n>  \nacetic acid\n\n>  \nacetic acid\n\n>  \nSalts and Solvents\n\n$$$$\nacetic anhydride\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    0.5143    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7848   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8133   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5143    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1123    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1124    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4114   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 acetic anhydride\nM  END\n>  \nacetic anhydride\n\n>  \nacetic anhydride\n\n>  \nSalts and Solvents\n\n$$$$\nformic acid\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.5143    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7848   -0.2357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8133   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5143    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 formic acid\nM  END\n>  \nformic acid\n\n>  \nformic acid\n\n>  \nSalts and Solvents\n\n$$$$\nmethane sulphonic acid\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.5143    0.5143    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5143    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5143   -0.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0143    0.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9857    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 methane sulphonic acid\nM  END\n>  \nmethane sulphonic acid\n\n>  \nmethane sulphonic acid\n\n>  \nSalts and Solvents\n\n$$$$\npropionic acid\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.5143    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7848   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8133   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5143    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0838    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  2  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 propionic acid\nM  END\n>  \npropionic acid\n\n>  \npropionic acid\n\n>  \nSalts and Solvents\n\n$$$$\n1,2-propanediol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -3.3587   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0597   -2.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0596   -1.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7606   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5384   -2.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 1,2-propanediol\nM  END\n>  \n1,2-propanediol\n\n>  \n1,2-propanediol\n\n>  \nSalts and Solvents\n\n$$$$\n1,3-propanediol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   15.0779   -8.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3769   -9.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6759   -8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9750   -9.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2740   -8.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 1,3-propanediol\nM  END\n>  \n1,3-propanediol\n\n>  \n1,3-propanediol\n\n>  \nSalts and Solvents\n\n$$$$\n1,4-butanediol\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -0.3480    1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9509    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5491    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8481    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1472    2.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 1,4-butanediol\nM  END\n>  \n1,4-butanediol\n\n>  \n1,4-butanediol\n\n>  \nSalts and Solvents\n\n$$$$\n1-butanol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.1714    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4705    1.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7257    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 1-butanol\nM  END\n>  \n1-butanol\n\n>  \n1-butanol\n\n>  \nSalts and Solvents\n\n$$$$\n1-propanol\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.1714    1.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7257    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 1-propanol\nM  END\n>  \n1-propanol\n\n>  \n1-propanol\n\n>  \nSalts and Solvents\n\n$$$$\n2-butanol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.1714    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4705    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1714    2.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 2-butanol\nM  END\n>  \n2-butanol\n\n>  \n2-butanol\n\n>  \nSalts and Solvents\n\n$$$$\n2-ethylhexanol\n  -INDIGO-11302219142D\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n   10.7337    0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1355    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8365   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5375    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1355    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4345   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2384   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4345    2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9394    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  7  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 2-ethylhexanol\nM  END\n>  \n2-ethylhexanol\n\n>  \n2-ethylhexanol\n\n>  \nSalts and Solvents\n\n$$$$\nisopropanol\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.1714    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4705    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1714    2.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 2-propanol\nM  END\n>  \nisopropanol\n\n>  \n2-propanol\n\n>  \nSalts and Solvents\n\n$$$$\n2-methoxyethanol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.1714    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4705    1.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    0.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7257    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 2-methoxyethanol\nM  END\n>  \n2-methoxyethanol\n\n>  \n2-methoxyethanol\n\n>  \nSalts and Solvents\n\n$$$$\n2-pentanol\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -5.1971   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8980   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5991   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0009   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3000   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 2-pentanol\nM  END\n>  \n2-pentanol\n\n>  \n2-pentanol\n\n>  \nSalts and Solvents\n\n$$$$\nbenzyl alcohol\n  -INDIGO-11302219142D\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 benzyl alcohol\nM  END\n>  \nbenzyl alcohol\n\n>  \nbenzyl alcohol\n\n>  \nSalts and Solvents\n\n$$$$\ncyclohexanol\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    4.2990    2.0175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2990    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2990   -2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 cyclohexanol\nM  END\n>  \ncyclohexanol\n\n>  \ncyclohexanol\n\n>  \nSalts and Solvents\n\n$$$$\nethanol\n  -INDIGO-11302219142D\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.1714    1.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SMT   1 ethyl alcohol\nM  END\n>  \nethanol\n\n>  \nethyl alcohol\n\n>  \nSalts and Solvents\n\n$$$$\nethylene glycol\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.1714    1.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7256    0.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 ethane-1,2-diol\nM  END\n>  \nethylene glycol\n\n>  \nethane-1,2-diol\n\n>  \nSalts and Solvents\n\n$$$$\nglycerol\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    0.9915    2.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2906    1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5896    2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5897    4.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8887    1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1878    2.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 glycerol\nM  END\n>  \nglycerol\n\n>  \nglycerol\n\n>  \nSalts and Solvents\n\n$$$$\nisoamyl alcohol\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    0.1714    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4705    1.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7257    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 isoamyl alcohol\nM  END\n>  \nisoamyl alcohol\n\n>  \nisoamyl alcohol\n\n>  \nSalts and Solvents\n\n$$$$\nisobutanol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.1714    1.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1276    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7257    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4266    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 isobutanol\nM  END\n>  \nisobutanol\n\n>  \nisobutanol\n\n>  \nSalts and Solvents\n\n$$$$\nmethanol\n  -INDIGO-11302219142D\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n    0.0709    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5710    0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  2   1   2\nM  SMT   1 methyl alcohol\nM  END\n>  \nmethanol\n\n>  \nmethyl alcohol\n\n>  \nSalts and Solvents\n\n$$$$\nt-butanol\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.0709    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5710    0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4291    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0709    2.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0709   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 t-butanol\nM  END\n>  \nt-butanol\n\n>  \nt-butanol\n\n>  \nSalts and Solvents\n\n$$$$\nwater\n  -INDIGO-11302219142D\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.7500    2.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  1   1\nM  SMT   1 water\nM  END\n>  \nwater\n\n>  \nwater\n\n>  \nSalts and Solvents\n\n$$$$\ncarbon dioxide\n  -INDIGO-11302219142D\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n   -1.2000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7000    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3000    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SMT   1 carbon dioxide\nM  END\n>  \ncarbon dioxide\n\n>  \ncarbon dioxide\n\n>  \nSalts and Solvents\n\n$$$$\nbenzene\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 benzene\nM  END\n>  \nbenzene\n\n>  \nbenzene\n\n>  \nSalts and Solvents\n\n$$$$\ncumene\n  -INDIGO-11302219142D\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n    4.2989    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2989    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2989   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  2  0  0  0  0\n  2  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6  8  2  0  0  0  0\n  7  9  2  0  0  0  0\n  8  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 cumene\nM  END\n>  \ncumene\n\n>  \ncumene\n\n>  \nSalts and Solvents\n\n$$$$\nmesitylene\n  -INDIGO-11302219142D\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n    1.2991    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2991   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  2  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 mesitylene\nM  END\n>  \nmesitylene\n\n>  \nmesitylene\n\n>  \nSalts and Solvents\n\n$$$$\ntoluene\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\n  1  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 toluene\nM  END\n>  \ntoluene\n\n>  \ntoluene\n\n>  \nSalts and Solvents\n\n$$$$\nn,n-dimethylaniline\n  -INDIGO-11302219142D\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n    4.2989    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2989    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2989   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  3  7  1  0  0  0  0\n  4  8  2  0  0  0  0\n  7  9  2  0  0  0  0\n  8  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 N,N-dimethylaniline\nM  END\n>  \nn,n-dimethylaniline\n\n>  \nN,N-dimethylaniline\n\n>  \nSalts and Solvents\n\n$$$$\npyridine\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 pyridine\nM  END\n>  \npyridine\n\n>  \npyridine\n\n>  \nSalts and Solvents\n\n$$$$\ntriethylamine\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7990    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  3  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 triethylamine\nM  END\n>  \ntriethylamine\n\n>  \ntriethylamine\n\n>  \nSalts and Solvents\n\n$$$$\nacetonitrile\n  -INDIGO-11302219142D\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\n  1  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SMT   1 acetonitrile\nM  END\n>  \nacetonitrile\n\n>  \nacetonitrile\n\n>  \nSalts and Solvents\n\n$$$$\ndimethyl acetamide\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    2.7990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7990    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0980   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2009    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 dimethyl acetamide\nM  END\n>  \ndimethyl acetamide\n\n>  \ndimethyl acetamide\n\n>  \nSalts and Solvents\n\n$$$$\ndimethyl formamide\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    2.7990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7990    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0980   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2009    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 DMF\nM  END\n>  \ndimethyl formamide\n\n>  \nDMF\n\n>  \nSalts and Solvents\n\n$$$$\ndimethyl sulfoxide\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 DMSO\nM  END\n>  \ndimethyl sulfoxide\n\n>  \nDMSO\n\n>  \nSalts and Solvents\n\n$$$$\ndimethylpropylene urea\n  -INDIGO-11302219142D\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n    3.4378    2.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1388    1.3044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1387   -0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8397   -0.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4593   -0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4593    1.3044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7584    2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8397    2.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8397    3.5545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  2  8  1  0  0  0  0\n  8  9  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 dimethylpropylene urea\nM  END\n>  \ndimethylpropylene urea\n\n>  \ndimethylpropylene urea\n\n>  \nSalts and Solvents\n\n$$$$\nformamide\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.2485   -6.0342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5476   -5.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5476   -3.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8467   -6.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 formamide\nM  END\n>  \nformamide\n\n>  \nformamide\n\n>  \nSalts and Solvents\n\n$$$$\nn-methyl-2-pyrrolidone\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    0.7500    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3860    1.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  2  1  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  3  1  0  0  0  0\n  1  6  1  0  0  0  0\n  4  7  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 N-methyl-2-pyrrolidone\nM  END\n>  \nn-methyl-2-pyrrolidone\n\n>  \nN-methyl-2-pyrrolidone\n\n>  \nSalts and Solvents\n\n$$$$\nn-methylformamide\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.1009    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4000    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6990    0.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1981    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 N-methylformamide\nM  END\n>  \nn-methylformamide\n\n>  \nN-methylformamide\n\n>  \nSalts and Solvents\n\n$$$$\npropane nitrile\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    6.8971    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  3  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 propane nitrile\nM  END\n>  \npropane nitrile\n\n>  \npropane nitrile\n\n>  \nSalts and Solvents\n\n$$$$\nsulfolane\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    0.7500    2.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    3.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0673    3.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  2  1  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  3  1  0  0  0  0\n  1  6  2  0  0  0  0\n  1  7  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 sulfolane\nM  END\n>  \nsulfolane\n\n>  \nsulfolane\n\n>  \nSalts and Solvents\n\n$$$$\namyl acetate\n  -INDIGO-11302219142D\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n    5.8307    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1297   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5316   -0.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8307    1.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2326    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9335   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6345    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6646   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9636    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 amyl acetate\nM  END\n>  \namyl acetate\n\n>  \namyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\nbutyl acetate\n  -INDIGO-11302219142D\n\n  8  7  0  0  0  0  0  0  0  0999 V2000\n    7.5466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8456    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2476    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8456    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1446    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5  1  0  0  0  0\n  1  7  1  0  0  0  0\n  2  7  2  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  7  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 butyl acetate\nM  END\n>  \nbutyl acetate\n\n>  \nbutyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\ndimethyl carbonate\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    0.5429   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5429    1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7562   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8419   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0552   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1409   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 dimethyl carbonate\nM  END\n>  \ndimethyl carbonate\n\n>  \ndimethyl carbonate\n\n>  \nSalts and Solvents\n\n$$$$\nethyl acetate\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    2.7079   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7079    1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0070   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4089   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1099   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1891   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 ethyl acetate\nM  END\n>  \nethyl acetate\n\n>  \nethyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\nethyl formate\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    5.8087   -2.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8087   -1.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5094   -3.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2098   -2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9103   -3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1078   -3.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 ethyl formate\nM  END\n>  \nethyl formate\n\n>  \nethyl formate\n\n>  \nSalts and Solvents\n\n$$$$\nethyl lactate\n  -INDIGO-11302219142D\n\n  8  7  0  0  0  0  0  0  0  0999 V2000\n   -0.3480    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9509    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5491    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5491    3.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8480    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1471    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8480   -0.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 ethyl lactate\nM  END\n>  \nethyl lactate\n\n>  \nethyl lactate\n\n>  \nSalts and Solvents\n\n$$$$\nethyl propionate\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   -0.3480    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9509    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5491    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5491    3.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8480    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1471    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 ethyl propionate\nM  END\n>  \nethyl propionate\n\n>  \nethyl propionate\n\n>  \nSalts and Solvents\n\n$$$$\nethylene carbonate\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.0323    3.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0323    2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2458    1.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7823   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2824   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1813    1.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 ethylene carbonate\nM  END\n>  \nethylene carbonate\n\n>  \nethylene carbonate\n\n>  \nSalts and Solvents\n\n$$$$\nisobutyl acetate\n  -INDIGO-11302219142D\n\n  8  7  0  0  0  0  0  0  0  0999 V2000\n    4.4399   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4399    1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7390   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1409   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8419   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5429   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5429   -2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7561   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 isobutyl acetate\nM  END\n>  \nisobutyl acetate\n\n>  \nisobutyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\nisopropyl acetate\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    3.1409   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1409    1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4400   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8419   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5429   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7561   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5429    1.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 isopropyl acetate\nM  END\n>  \nisopropyl acetate\n\n>  \nisopropyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\nmethyl acetate\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.5429   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5429    1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7562   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8419   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1409   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 methyl acetate\nM  END\n>  \nmethyl acetate\n\n>  \nmethyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\nmethyl formate\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    1.5821   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5821    1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8812   -1.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2831   -1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0159   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 methyl formate\nM  END\n>  \nmethyl formate\n\n>  \nmethyl formate\n\n>  \nSalts and Solvents\n\n$$$$\nmethyl lactate\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    7.6971   -2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3980   -2.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0991   -2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0991   -0.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8000   -2.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5009   -2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8000   -4.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 methyl lactate\nM  END\n>  \nmethyl lactate\n\n>  \nmethyl lactate\n\n>  \nSalts and Solvents\n\n$$$$\nn-octylacetate\n  -INDIGO-11302219142D\n\n 12 11  0  0  0  0  0  0  0  0999 V2000\n    7.7009    4.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0000    5.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2991    4.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5980    5.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8971    4.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1962    5.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4953    4.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7942    5.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0933    4.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3924    5.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6913    4.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3924    7.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  4   9  10  11  12\nM  SMT   1 n-octylacetate\nM  END\n>  \nn-octylacetate\n\n>  \nn-octylacetate\n\n>  \nSalts and Solvents\n\n$$$$\npropyl acetate\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    6.3403   -0.1607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6395    2.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7423   -0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0413    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4433    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6395    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9385   -0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1  6  1  0  0  0  0\n  2  6  2  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 propyl acetate\nM  END\n>  \npropyl acetate\n\n>  \npropyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\npropylene carbonate\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    0.5661   -1.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5661   -0.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6474    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1839    1.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3160    1.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1978    3.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7797    0.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  2  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 propylene carbonate\nM  END\n>  \npropylene carbonate\n\n>  \npropylene carbonate\n\n>  \nSalts and Solvents\n\n$$$$\nt-butyl acetate\n  -INDIGO-11302219142D\n\n  8  7  0  0  0  0  0  0  0  0999 V2000\n    6.0125   -7.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7134   -6.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7134   -5.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4144   -7.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1153   -6.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8163   -5.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3653   -8.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8653   -5.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 t-butyl acetate\nM  END\n>  \nt-butyl acetate\n\n>  \nt-butyl acetate\n\n>  \nSalts and Solvents\n\n$$$$\n1,2-dimethoxyethane\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -0.0857    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2133   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5124    0.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3848   -0.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8114   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6838    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 1,2-dimethoxyethane\nM  END\n>  \n1,2-dimethoxyethane\n\n>  \n1,2-dimethoxyethane\n\n>  \nSalts and Solvents\n\n$$$$\n1,4-dioxane\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    3.9490   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9490   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 1,4-dioxane\nM  END\n>  \n1,4-dioxane\n\n>  \n1,4-dioxane\n\n>  \nSalts and Solvents\n\n$$$$\n2-methyl tetrahydrofuran\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    0.7500    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3860    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  2  1  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  3  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 2-methyl tetrahydrofuran\nM  END\n>  \n2-methyl tetrahydrofuran\n\n>  \n2-methyl tetrahydrofuran\n\n>  \nSalts and Solvents\n\n$$$$\nanisole\n  -INDIGO-11302219142D\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 anisole\nM  END\n>  \nanisole\n\n>  \nanisole\n\n>  \nSalts and Solvents\n\n$$$$\nbutyl carbitol\n  -INDIGO-11302219142D\n\n 11 10  0  0  0  0  0  0  0  0999 V2000\n   -0.2227   -3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0742   -3.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3750   -3.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6719   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9782   -3.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2751   -3.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5758   -3.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8728   -3.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1792   -3.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4761   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7768   -3.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  3   9  10  11\nM  SMT   1 butyl carbitol\nM  END\n>  \nbutyl carbitol\n\n>  \nbutyl carbitol\n\n>  \nSalts and Solvents\n\n$$$$\ncyclopentyl methyl ether\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    6.1000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5053    1.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3855    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4886   -0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9950   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4  2  1  0  0  0  0\n  2  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 cyclopentyl methyl ether\nM  END\n>  \ncyclopentyl methyl ether\n\n>  \ncyclopentyl methyl ether\n\n>  \nSalts and Solvents\n\n$$$$\ndibutyl ether\n  -INDIGO-11302219142D\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n    5.4509    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0491    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3480    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6470    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9461    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2452    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5441    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8432    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 dibutyl ether\nM  END\n>  \ndibutyl ether\n\n>  \ndibutyl ether\n\n>  \nSalts and Solvents\n\n$$$$\ndiethyl ether\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    6.1000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5019    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6980    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  2  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 ether\nM  END\n>  \ndiethyl ether\n\n>  \nether\n\n>  \nSalts and Solvents\n\n$$$$\ndiethylene glycol\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    7.7875   -1.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4896   -2.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1892   -1.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8854   -2.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5884   -1.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2906   -2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0845   -2.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  7  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 diethylene glycol\nM  END\n>  \ndiethylene glycol\n\n>  \ndiethylene glycol\n\n>  \nSalts and Solvents\n\n$$$$\ndiglyme\n  -INDIGO-11302219142D\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n   -0.0857    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2133   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5124    0.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3848   -0.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8114   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6838    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9828   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2818    0.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.5809   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 diglyme\nM  END\n>  \ndiethylene glycol dimethyl ether\n\n>  \ndiglyme\n\n>  \nSalts and Solvents\n\n$$$$\ndiisopropyl ether\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    5.5971    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2980    3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2980    5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9991    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7000    3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4009    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7000    5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 diisopropyl ether\nM  END\n>  \ndiisopropyl ether\n\n>  \ndiisopropyl ether\n\n>  \nSalts and Solvents\n\n$$$$\ndimethyl ether\n  -INDIGO-11302219142D\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    4.2989   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5980    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9999    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SMT   1 dimethyl ether\nM  END\n>  \ndimethyl ether\n\n>  \ndimethyl ether\n\n>  \nSalts and Solvents\n\n$$$$\ndiphenyl ether\n  -INDIGO-11302219142D\n\n 13 14  0  0  0  0  0  0  0  0999 V2000\n    7.1190    1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8200    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8200   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5210   -1.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2219   -1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2219    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5209    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4181    0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7171    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0161    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0161   -1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7170   -1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4180   -1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  2  7  1  0  0  0  0\n  1  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n  8 13  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  5   9  10  11  12  13\nM  SMT   1 diphenyl ether\nM  END\n>  \ndiphenyl ether\n\n>  \ndiphenyl ether\n\n>  \nSalts and Solvents\n\n$$$$\nethoxybenzene\n  -INDIGO-11302219142D\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n    0.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  4  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 ethoxybenzene\nM  END\n>  \nethoxybenzene\n\n>  \nethoxybenzene\n\n>  \nSalts and Solvents\n\n$$$$\nmethyl t-butyl ether\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    6.1000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5019    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0510    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5510   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 methyl t-butyl ether\nM  END\n>  \nmethyl t-butyl ether\n\n>  \nmethyl t-butyl ether\n\n>  \nSalts and Solvents\n\n$$$$\nt-amyl methyl ether\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    6.8972    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8482    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3482   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  7  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 t-amyl methyl ether\nM  END\n>  \nt-amyl methyl ether\n\n>  \nt-amyl methyl ether\n\n>  \nSalts and Solvents\n\n$$$$\nt-butylethyl ether\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    2.3688   -7.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0698   -7.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2293   -7.1129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5283   -7.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8274   -8.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2783   -6.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7783   -9.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 t-butylethyl ether\nM  END\n>  \nt-butylethyl ether\n\n>  \nt-butylethyl ether\n\n>  \nSalts and Solvents\n\n$$$$\ntetrahydrofuran\n  -INDIGO-11302219142D\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    0.7500    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9600    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  2  1  1  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 THF\nM  END\n>  \ntetrahydrofuran\n\n>  \nTHF\n\n>  \nSalts and Solvents\n\n$$$$\ntriethylene glycol\n  -INDIGO-11302219142D\n\n 10  9  0  0  0  0  0  0  0  0999 V2000\n    4.1520    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4509    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0491    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3480    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6471    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9462    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2453    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5442    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8433    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  2   9  10\nM  SMT   1 triethylene glycol\nM  END\n>  \ntriethylene glycol\n\n>  \ntriethylene glycol\n\n>  \nSalts and Solvents\n\n$$$$\n1,2,4-trichlorobenzene\n  -INDIGO-11302219142D\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n    2.2506   -3.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9991   -2.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2506   -1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7485   -1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7485   -3.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -5.1978    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    2.9991    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  6  2  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  3  9  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  8  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 1,2,4-trichlorobenzene\nM  END\n>  \n1,2,4-trichlorobenzene\n\n>  \n1,2,4-trichlorobenzene\n\n>  \nSalts and Solvents\n\n$$$$\n1,2-dichlorobenzene\n  -INDIGO-11302219142D\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    0.9558   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4581   -0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2048    0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4555    1.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9571    1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2065    0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2078    3.0567    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.2060    3.0573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  6  2  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  8  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 1,2-dichlorobenzene\nM  END\n>  \n1,2-dichlorobenzene\n\n>  \n1,2-dichlorobenzene\n\n>  \nSalts and Solvents\n\n$$$$\n1,2-dichloroethane\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n   -0.2571    0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0419    1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3409    0.8286    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5562    1.5786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 DCE\nM  END\n>  \n1,2-dichloroethane\n\n>  \nDCE\n\n>  \nSalts and Solvents\n\n$$$$\n2,2,2-trifluoroethanol\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    2.3661   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0670   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0670    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0670    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4330    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5670    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 2,2,2-trifluoroethanol\nM  END\n>  \n2,2,2-trifluoroethanol\n\n>  \n2,2,2-trifluoroethanol\n\n>  \nSalts and Solvents\n\n$$$$\n2,3,4-trifluorotoluene\n  -INDIGO-11302219142D\n\n 10 10  0  0  0  0  0  0  0  0999 V2000\n    4.0898    1.7173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0899    1.7173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5899   -0.8808    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0898   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8398    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8399   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3399    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5898   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3399   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0899   -0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5  1  0  0  0  0\n  2  7  1  0  0  0  0\n  3 10  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  4  8  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6  9  2  0  0  0  0\n  7 10  2  0  0  0  0\n  9 10  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  2   9  10\nM  SMT   1 2,3,4-trifluorotoluene\nM  END\n>  \n2,3,4-trifluorotoluene\n\n>  \n2,3,4-trifluorotoluene\n\n>  \nSalts and Solvents\n\n$$$$\ncarbon tetrachloride\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.6000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.6000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 carbon tetrachloride\nM  END\n>  \ncarbon tetrachloride\n\n>  \ncarbon tetrachloride\n\n>  \nSalts and Solvents\n\n$$$$\nchloroacetic acid\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    9.0626   -7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0626   -5.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3632   -7.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4658   -7.0246    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.7666   -7.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  1  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 chloroacetic acid\nM  END\n>  \nchloroacetic acid\n\n>  \nchloroacetic acid\n\n>  \nSalts and Solvents\n\n$$$$\nchlorobenzene\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\n  1  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 chlorobenzene\nM  END\n>  \nchlorobenzene\n\n>  \nchlorobenzene\n\n>  \nSalts and Solvents\n\n$$$$\nchloroform\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.6000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 chloroform\nM  END\n>  \nchloroform\n\n>  \nchloroform\n\n>  \nSalts and Solvents\n\n$$$$\ndichloromethane\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.8500    1.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3500    1.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 DCM\nM  END\n>  \ndichloromethane\n\n>  \nDCM\n\n>  \nSalts and Solvents\n\n$$$$\nfluorobenzene\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    1.2991    3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2991   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  2  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 fluorobenzene\nM  END\n>  \nfluorobenzene\n\n>  \nfluorobenzene\n\n>  \nSalts and Solvents\n\n$$$$\nperfluorocyclic ether\n  -INDIGO-11302219142D\n\n 25 25  0  0  0  0  0  0  0  0999 V2000\n   -1.9038   -6.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9038   -4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4038   -4.5746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9038   -3.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4038   -4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4038   -6.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4038   -3.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0962   -4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0962   -6.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0962   -3.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5962   -4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5962   -6.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5962   -3.0746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0962   -4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9395   -6.0662    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9395   -3.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3099   -2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5598   -1.1736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5233   -1.5909    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3135   -3.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3173   -2.4726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5271   -4.4689    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5635   -4.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7677   -5.7808    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4224   -6.3797    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  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  8 10  1  0  0  0  0\n  8 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 14 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  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 14 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  8   9  10  11  12  13  14  15  16\nM  SAL   1  8  17  18  19  20  21  22  23  24\nM  SAL   1  1  25\nM  SMT   1 perfluorocyclic ether\nM  END\n>  \nperfluorocyclic ether\n\n>  \nperfluorocyclic ether\n\n>  \nSalts and Solvents\n\n$$$$\nperfluorocyclohexane\n  -INDIGO-11302219142D\n\n 18 18  0  0  0  0  0  0  0  0999 V2000\n    7.8482    2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5982    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5491    2.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0490    2.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5982   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8482   -2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500    2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0490   -2.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5491   -2.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500   -2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0982    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7991    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0982   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7991   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 13  1  0  0  0  0\n  2 13  1  0  0  0  0\n  3 14  1  0  0  0  0\n  4 14  1  0  0  0  0\n  5 15  1  0  0  0  0\n  6 15  1  0  0  0  0\n  7 16  1  0  0  0  0\n  8 16  1  0  0  0  0\n  9 17  1  0  0  0  0\n 10 17  1  0  0  0  0\n 11 18  1  0  0  0  0\n 12 18  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n 16 18  1  0  0  0  0\n 17 18  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  8   9  10  11  12  13  14  15  16\nM  SAL   1  2  17  18\nM  SMT   1 perfluorocyclohexane\nM  END\n>  \nperfluorocyclohexane\n\n>  \nperfluorocyclohexane\n\n>  \nSalts and Solvents\n\n$$$$\nperfluorohexane\n  -INDIGO-11302219142D\n\n 20 19  0  0  0  0  0  0  0  0999 V2000\n    6.1472    0.9240    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6472   -1.6740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9463   -0.9240    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4462    1.6740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3482   -2.4240    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8482    0.1740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7453    2.4240    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2453   -0.1740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0491   -3.1740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5490   -0.5760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -2.6250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0444    3.1740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5444    0.5760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0935    2.6250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8972   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1963    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4953    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2991   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7944    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 15  1  0  0  0  0\n  2 15  1  0  0  0  0\n  3 16  1  0  0  0  0\n  4 16  1  0  0  0  0\n  5 17  1  0  0  0  0\n  6 17  1  0  0  0  0\n  7 18  1  0  0  0  0\n  8 18  1  0  0  0  0\n  9 19  1  0  0  0  0\n 10 19  1  0  0  0  0\n 11 19  1  0  0  0  0\n 12 20  1  0  0  0  0\n 13 20  1  0  0  0  0\n 14 20  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n 16 18  1  0  0  0  0\n 17 19  1  0  0  0  0\n 18 20  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  8   9  10  11  12  13  14  15  16\nM  SAL   1  4  17  18  19  20\nM  SMT   1 perfluorohexane\nM  END\n>  \nperfluorohexane\n\n>  \nperfluorohexane\n\n>  \nSalts and Solvents\n\n$$$$\nperfluorotoluene\n  -INDIGO-11302219142D\n\n 15 15  0  0  0  0  0  0  0  0999 V2000\n    3.0000    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1962    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982    3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0982    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0982    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1962   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982   -3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8972   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5982   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n  3 12  1  0  0  0  0\n  4 12  1  0  0  0  0\n  5 12  1  0  0  0  0\n  6 13  1  0  0  0  0\n  7 14  1  0  0  0  0\n  8 15  1  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n  9 12  1  0  0  0  0\n 10 14  1  0  0  0  0\n 11 13  2  0  0  0  0\n 13 15  1  0  0  0  0\n 14 15  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  7   9  10  11  12  13  14  15\nM  SMT   1 perfluorotoluene\nM  END\n>  \nperfluorotoluene\n\n>  \nperfluorotoluene\n\n>  \nSalts and Solvents\n\n$$$$\ntrichloroacetic acid\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    4.3154   -3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6336   -2.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6336   -1.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0543   -2.8010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.1051   -4.3218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.3090   -5.1835    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.9579   -3.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  2  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 trichloroacetic acid\nM  END\n>  \ntrichloroacetic acid\n\n>  \ntrichloroacetic acid\n\n>  \nSalts and Solvents\n\n$$$$\ntrichloroacetonitrile\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    4.5000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  3  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 trichloroacetonitrile\nM  END\n>  \ntrichloroacetonitrile\n\n>  \ntrichloroacetonitrile\n\n>  \nSalts and Solvents\n\n$$$$\ntrifluoroacetic acid\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    1.0500   -4.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3000   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0500   -2.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2000   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7000   -3.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2000   -2.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2000   -5.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 trifluoroacetic acid\nM  END\n>  \ntrifluoroacetic acid\n\n>  \ntrifluoroacetic acid\n\n>  \nSalts and Solvents\n\n$$$$\ntrifluoromethylbenzene\n  -INDIGO-11302219142D\n\n 10 10  0  0  0  0  0  0  0  0999 V2000\n    6.1000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1000    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6000    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6000    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  3  1  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  2   9  10\nM  SMT   1 trifluoromethylbenzene\nM  END\n>  \ntrifluoromethylbenzene\n\n>  \ntrifluoromethylbenzene\n\n>  \nSalts and Solvents\n\n$$$$\n2-methylpentane\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    0.5471   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7520   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0509   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6491   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3500    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 2-methylpentane\nM  END\n>  \n2-methylpentane\n\n>  \n2-methylpentane\n\n>  \nSalts and Solvents\n\n$$$$\ncis-decalin\n  -INDIGO-11302219142D\n\n 12 13  0  0  1  0  0  0  0  0999 V2000\n    2.6130   -0.7481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.6130   -2.2234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    1.3195   -3.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8754    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8754   -2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1948   -0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1948   -2.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5583    0.8018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6130   -3.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3 10  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n  8  9  1  0  0  0  0\n  1 11  1  1  0  0  0\n  2 12  1  1  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  4   9  10  11  12\nM  SMT   1 cis-decalin\nM  END\n>  \ncis-decalin\n\n>  \ncis-decalin\n\n>  \nSalts and Solvents\n\n$$$$\ncyclohexane\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    3.9490   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9490   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 cyclohexane\nM  END\n>  \ncyclohexane\n\n>  \ncyclohexane\n\n>  \nSalts and Solvents\n\n$$$$\nisooctane\n  -INDIGO-11302219142D\n\n  8  7  0  0  0  0  0  0  0  0999 V2000\n    4.6062   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9052   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2043   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5033   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8023   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1552   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6552   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5033   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  2  7  1  0  0  0  0\n  4  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 isooctane\nM  END\n>  \nisooctane\n\n>  \nisooctane\n\n>  \nSalts and Solvents\n\n$$$$\nmethylcyclohexane\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    3.9490   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9490   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2481   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9490   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 methylcyclohexane\nM  END\n>  \nmethylcyclohexane\n\n>  \nmethylcyclohexane\n\n>  \nSalts and Solvents\n\n$$$$\nmethylcyclopentane\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    4.2136    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4271   -0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0001   -0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9636   -1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4636   -1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2136    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  6  1  0  0  0  0\n  2  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 methylcyclopentane\nM  END\n>  \nmethylcyclopentane\n\n>  \nmethylcyclopentane\n\n>  \nSalts and Solvents\n\n$$$$\nheptane\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    4.6062   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9052   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2043   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5033   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8023   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1014   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4004   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 n-heptane\nM  END\n>  \nheptane\n\n>  \nn-heptane\n\n>  \nSalts and Solvents\n\n$$$$\nhexane\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    4.6062   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9052   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2043   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5033   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8023   -2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1014   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 n-hexane\nM  END\n>  \nhexane\n\n>  \nn-hexane\n\n>  \nSalts and Solvents\n\n$$$$\npentane\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    2.5624   -4.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1578   -4.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8600   -3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4556   -3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2647   -3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 pentane\nM  END\n>  \npentane\n\n>  \npentane\n\n>  \nSalts and Solvents\n\n$$$$\n2-pentanone\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -1.5971   -4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2980   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0009   -4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3000   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5991   -4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3000   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 2-pentanone\nM  END\n>  \n2-pentanone\n\n>  \n2-pentanone\n\n>  \nSalts and Solvents\n\n$$$$\n3-pentanone\n  -INDIGO-11302219142D\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    2.6558    5.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9548    4.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2538    5.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2539    6.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5530    4.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8520    5.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 3-pentanone\nM  END\n>  \n3-pentanone\n\n>  \n3-pentanone\n\n>  \nSalts and Solvents\n\n$$$$\nacetone\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.0571    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2419   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3562   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0571    1.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 propanone\nM  END\n>  \nacetone\n\n>  \npropanone\n\n>  \nSalts and Solvents\n\n$$$$\ncyclohexanone\n  -INDIGO-11302219142D\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    0.0571    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2419   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3562   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0571    1.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2419   -1.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0571   -2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3562   -1.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 cyclohexanone\nM  END\n>  \ncyclohexanone\n\n>  \ncyclohexanone\n\n>  \nSalts and Solvents\n\n$$$$\ncyclopentanone\n  -INDIGO-11302219142D\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.0323    3.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0323    2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2458    1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7823   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2824   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1813    1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  6   1   2   3   4   5   6\nM  SMT   1 cyclopentanone\nM  END\n>  \ncyclopentanone\n\n>  \ncyclopentanone\n\n>  \nSalts and Solvents\n\n$$$$\nmethyl ethyl ketone\n  -INDIGO-11302219142D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.0571    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2419   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3562   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0571    1.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5409    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  2  5  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  5   1   2   3   4   5\nM  SMT   1 MEK\nM  END\n>  \nmethyl ethyl ketone\n\n>  \nMEK\n\n>  \nSalts and Solvents\n\n$$$$\nmethyl isobutyl ketone\n  -INDIGO-11302219142D\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    0.0571    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2419   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3562   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0571    1.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5409    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8399   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5409    1.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  7   1   2   3   4   5   6   7\nM  SMT   1 methyl isobutyl ketone\nM  END\n>  \nmethyl isobutyl ketone\n\n>  \nmethyl isobutyl ketone\n\n>  \nSalts and Solvents\n\n$$$$\ncarbon disulfide\n  -INDIGO-11302219142D\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    5.7990    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7989    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  2  0  0  0  0\n  2  3  2  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SMT   1 carbon disulfide\nM  END\n>  \ncarbon disulfide\n\n>  \ncarbon disulfide\n\n>  \nSalts and Solvents\n\n$$$$\nnitromethane\n  -INDIGO-11302219142D\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    1.5009    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0991    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  2  0  0  0  0\nM  CHG  2   2   1   3  -1\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  4   1   2   3   4\nM  SMT   1 nitromethane\nM  END\n>  \nnitromethane\n\n>  \nnitromethane\n\n>  \nSalts and Solvents\n\n$$$$\no-xylene\n  -INDIGO-11302219142D\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n   -2.1500    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4490    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4490    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8510    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8510    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500    5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4481    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  6  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 o-xylene\nM  END\n>  \no-xylene\n\n>  \no-xylene\n\n>  \nSalts and Solvents\n\n$$$$\nm-xylene\n  -INDIGO-11302219142D\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n   -2.1500    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4490    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4490    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8510    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8510    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500    5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4480    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  5  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 m-xylene\nM  END\n>  \nm-xylene\n\n>  \nm-xylene\n\n>  \nSalts and Solvents\n\n$$$$\np-xylene\n  -INDIGO-11302219142D\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n   -2.1500    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4490    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4490    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8510    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8510    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500    5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1500   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  4  8  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SMT   1 p-xylene\nM  END\n>  \np-xylene\n\n>  \np-xylene\n\n>  \nSalts and Solvents\n\n$$$$\nDIPEA\n  -INDIGO-11302219142D\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n   -1.5490    7.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5490    8.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8481    6.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2500    6.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1471    7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8481    5.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0490    7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2500    5.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8481    9.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  4  8  1  0  0  0  0\n  2  9  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  1   9\nM  SMT   1 DIPEA\nM  END\n>  \nn,n-diisopropylethylamine\n\n>  \nDIPEA\n\n>  \nSalts and Solvents\n\n$$$$\n1,5-diazabicyclo[5.4.0]undec-7-ene\n  -INDIGO-11302219142D\n\n 11 12  0  0  0  0  0  0  0  0999 V2000\n    1.6852   -0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3514    1.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3515    1.0777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6852   -0.3847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1695   -0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7175   -2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7822   -3.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -2.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  3  0  0  0\n 10  5  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11  1  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  3   9  10  11\nM  SMT   1 DBU\nM  END\n>  \n1,5-diazabicyclo[5.4.0]undec-7-ene\n\n>  \nDBU\n\n>  \nSalts and Solvents\n\n$$$$\nhexamethylphosphoramide\n  -INDIGO-11302219142D\n\n 11 10  0  0  0  0  0  0  0  0999 V2000\n    2.3174   -0.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6235   -1.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8900   -0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5935   -3.2519    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5935   -4.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0831   -3.2205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0654   -4.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1687   -1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1521   -3.2278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3934   -4.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0626   -2.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  3   9  10  11\nM  SMT   1 HMPA\nM  END\n>  \nhexamethylphosphoramide\n\n>  \nHMPA\n\n>  \nSalts and Solvents\n\n$$$$\nhexamethylphosphorous triamide\n  -INDIGO-11302219142D\n\n 10  9  0  0  0  0  0  0  0  0999 V2000\n    0.0007    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1992    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6031   -1.5008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9032   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3053   -2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  4  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  8   1   2   3   4   5   6   7   8\nM  SAL   1  2   9  10\nM  SMT   1 HMPT\nM  END\n>  \nhexamethylphosphorous triamide\n\n>  \nHMPT\n\n>  \nSalts and Solvents\n\n$$$$\nheavy water\n  -INDIGO-11302219142D\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0007    0.0004    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5993    0.0004    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\nM  STY  1   1 SUP\nM  SLB  1   1   1\nM  SAL   1  3   1   2   3\nM  SMT   1 D2O\nM  END\n>  \nheavy water\n\n>  \nD2O\n\n>  \nSalts and Solvents\n\n$$$$\n"),a=i.reduce((function(n,e){var t=e.struct,r=e.props;return t.abbreviation=String(r.abbreviation),n.push(t),n}),[]),t.setSaltsAndSolventsList(a),r.addToFunctionalGroupsList(a),e({type:"SALTS_AND_SOLVENTS_INIT",payload:{lib:i}}),e(Ce({saltsAndSolvents:!0}));case 9:case"end":return n.stop()}}),n)}))),function(e){return n.apply(this,arguments)};var n}()),window.scrollTo(0,0)}),[]);var r=iP;return(0,o.jsx)(Z.Z,{theme:gP,children:(0,o.jsxs)("div",{className:"App-module_app__8cgyF",children:[(0,o.jsx)(KC,{}),(0,o.jsx)(r,{className:"App-module_canvas__taJxn"}),(0,o.jsx)(hy,{className:"App-module_top__SBeSV"}),(0,o.jsx)(nb,{className:"App-module_left__2iz-i"}),(0,o.jsx)(gg,{className:"App-module_bottom__tQA2B"}),(0,o.jsx)(_b,{className:"App-module_right__U7A5Q"}),(0,o.jsx)(ZC,{}),(0,o.jsx)(qD,{}),(0,o.jsx)(vP,{})]})})})),CP=function(n,e){var t,r;n((t=e.clientX,r=e.clientY,{type:Sp,data:{x:t,y:r}}))};function OP(n,e,r,i,a,l){var c=function(n,e,r){var o=n.buttons,i=void 0===o?{}:o,a=(0,p.Z)(n,pg),l={actionState:null,editor:null,modal:null,options:Object.assign(ye,{app:a,buttons:i}),server:e||Promise.reject(new Error("Standalone mode!")),templates:up},c=[k.Z],s=function(n){return function(e,r){switch(r.type){case"INIT":n(r.editor);case"UPDATE":r.type;var o=(0,p.Z)(r,dg);o&&(e=fg(fg({},e),o))}var i=mg(e,fg(fg({},r),(0,C.pick)(["editor","server","options"],e))),a=i===e.shared?e:fg(fg({},e),i);return t.g.currentState=a,a}}(r);return(0,A.MT)(s,l,A.md.apply(void 0,c))}(i,a,l);c.dispatch(PC(n)),c.dispatch(function(n){return function(e,t){var r=(0,D.throttle)(CP,300);n.addEventListener("pointermove",(function(n){return r(e,n)})),n.addEventListener("mousedown",(function(n){3===n.buttons&&function(n){var e=n().editor;e.rotateController.isRotating&&e.rotateController.revert()}(t)}),!0)}}(n)),c.dispatch((function(n,e){var t=(0,C.throttle)(250,(function(){var t=e();t.editor.render.update(),n({type:"CLEAR_VISIBLE",data:t.actionState.activeTool})}));addEventListener("resize",t)})),e.render((0,o.jsx)(E.zt,{store:c,children:(0,o.jsx)(Sn.Provider,{value:{staticResourcesUrl:r},children:(0,o.jsx)(wn.Provider,{value:{errorHandler:i.errorHandler},children:(0,o.jsx)(On.Provider,{value:{getKetcherInstance:function(){return window.ketcher}},children:(0,o.jsx)(yP,{})})})})}))}var wP=function(){function n(){(0,c.Z)(this,n),this.structService=null,this.editor=null,this.serviceMode=null,this.formatterFactory=null}var e,t;return(0,s.Z)(n,[{key:"appendApiAsync",value:(t=(0,i.Z)(l().mark((function n(e){return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:this.structService=Cn(e,u.xiC);case 1:case"end":return n.stop()}}),n,this)}))),function(n){return t.apply(this,arguments)})},{key:"appendServiceMode",value:function(n){this.serviceMode=n}},{key:"appendUiAsync",value:(e=(0,i.Z)(l().mark((function n(e,t,r,o,i){var a,c;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return a=this.structService,n.next=3,new Promise((function(n){OP(e,t,r,{buttons:i||{},errorHandler:o||null,version:"2.15.1",buildDate:"2023-12-11T16:30:15",buildNumber:""},a,n)}));case 3:c=n.sent,this.editor=c,this.editor.errorHandler=o&&"function"==typeof o?o:function(){},this.formatterFactory=new u.Yyn(a);case 7:case"end":return n.stop()}}),n,this)}))),function(n,t,r,o,i){return e.apply(this,arguments)})},{key:"build",value:function(){if(!this.serviceMode)throw new Error("You should append ServiceMode before building");if(!this.structService)throw new Error("You should append Api before building");if(!this.formatterFactory)throw new Error("You should append StructureServiceFactory before building");var n=new u.VA(this.editor,this.structService,this.formatterFactory);n[this.serviceMode]=!0;var e=new URLSearchParams(document.location.search).get("moll");return e&&n.setMolecule(e),u.CnU.setKetcherInstance(n),n}}]),n}();function SP(){return SP=(0,i.Z)(l().mark((function n(e){var t,r,o,i,a,c,s;return l().wrap((function(n){for(;;)switch(n.prev=n.next){case 0:return t=e.element,r=e.appRoot,o=e.staticResourcesUrl,i=e.structServiceProvider,a=e.buttons,c=e.errorHandler,s=new wP,n.next=4,s.appendApiAsync(i);case 4:return s.appendServiceMode(i.mode),n.next=7,s.appendUiAsync(t,r,o,c,a);case 7:return n.abrupt("return",s.build());case 8:case"end":return n.stop()}}),n)}))),SP.apply(this,arguments)}var jP={"button-common-styles":"Editor-module_button-common-styles__h4pal",scrollbar:"Editor-module_scrollbar__yVsY8",small:"Editor-module_small__8cgEX",editor:"Editor-module_editor__o0Gjz","-hidden":"Editor-module_-hidden__aKodt"};function xP(n,e){var t=Object.keys(n);if(Object.getOwnPropertySymbols){var r=Object.getOwnPropertySymbols(n);e&&(r=r.filter((function(e){return Object.getOwnPropertyDescriptor(n,e).enumerable}))),t.push.apply(t,r)}return t}function MP(n){for(var e=1;e




© 2015 - 2024 Weber Informatics LLC | Privacy Policy