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"cssFloat":"styleFloat"},style:function(a,d,b,c){if(a&&!(3===a.nodeType||8===a.nodeType||!a.style)){var f,g,j,n=e.camelCase(d),k=a.style;d=e.cssProps[n]||(e.cssProps[n]=Yb(k,n));j=e.cssHooks[d]||e.cssHooks[n];if(void 0!==b){g=typeof b;if("string"===g&&(f=Jd.exec(b)))b=(f[1]+1)*f[2]+parseFloat(e.css(a,d)),g="number";if(!(null==b||b!==b))if("number"===g&&!e.cssNumber[n]&&(b+="px"),!s.clearCloneStyle&&(""===b&&0===d.indexOf("background"))&&(k[d]="inherit"),!j||!("set"in j)||void 0!==(b=j.set(a,b,c)))try{k[d]=
"",k[d]=b}catch(l){}}else return j&&"get"in j&&void 0!==(f=j.get(a,!1,c))?f:k[d]}},css:function(a,d,b,c){var f,g;g=e.camelCase(d);d=e.cssProps[g]||(e.cssProps[g]=Yb(a.style,g));(g=e.cssHooks[d]||e.cssHooks[g])&&"get"in g&&(f=g.get(a,!0,b));void 0===f&&(f=ia(a,d,c));"normal"===f&&d in Jc&&(f=Jc[d]);return""===b||b?(a=parseFloat(f),!0===b||e.isNumeric(a)?a||0:f):f}});e.each(["height","width"],function(a,d){e.cssHooks[d]={get:function(a,b,c){if(b)return 0===a.offsetWidth&&Id.test(e.css(a,"display"))?
e.swap(a,Kd,function(){return cc(a,d,c)}):cc(a,d,c)},set:function(a,b,c){var f=c&&ha(a);return ac(a,b,c?bc(a,d,c,s.boxSizing()&&"border-box"===e.css(a,"boxSizing",!1,f),f):0)}}});s.opacity||(e.cssHooks.opacity={get:function(a,d){return Hd.test((d&&a.currentStyle?a.currentStyle.filter:a.style.filter)||"")?0.01*parseFloat(RegExp.$1)+"":d?"1":""},set:function(a,d){var b=a.style,c=a.currentStyle,f=e.isNumeric(d)?"alpha(opacity="+100*d+")":"",g=c&&c.filter||b.filter||"";b.zoom=1;if((1<=d||""===d)&&""===
e.trim(g.replace(Jb,""))&&b.removeAttribute)if(b.removeAttribute("filter"),""===d||c&&!c.filter)return;b.filter=Jb.test(g)?g.replace(Jb,f):g+" "+f}});e.cssHooks.marginRight=Xb(s.reliableMarginRight,function(a,d){if(d)return e.swap(a,{display:"inline-block"},ia,[a,"marginRight"])});e.each({margin:"",padding:"",border:"Width"},function(a,d){e.cssHooks[a+d]={expand:function(b){var e=0,c={};for(b="string"===typeof b?b.split(" "):[b];4>e;e++)c[a+ga[e]+d]=b[e]||b[e-2]||b[0];return c}};Ic.test(a)||(e.cssHooks[a+
d].set=ac)});e.fn.extend({css:function(a,d){return ma(this,function(a,d,b){var c,f={},g=0;if(e.isArray(d)){b=ha(a);for(c=d.length;g<c;g++)f[d[g]]=e.css(a,d[g],!1,b);return f}return void 0!==b?e.style(a,d,b):e.css(a,d)},a,d,1<arguments.length)},show:function(){return $b(this,!0)},hide:function(){return $b(this)},toggle:function(a){return"boolean"===typeof a?a?this.show():this.hide():this.each(function(){za(this)?e(this).show():e(this).hide()})}});e.Tween=E;E.prototype={constructor:E,init:function(a,
d,b,c,f,g){this.elem=a;this.prop=b;this.easing=f||"swing";this.options=d;this.start=this.now=this.cur();this.end=c;this.unit=g||(e.cssNumber[b]?"":"px")},cur:function(){var a=E.propHooks[this.prop];return a&&a.get?a.get(this):E.propHooks._default.get(this)},run:function(a){var d,b=E.propHooks[this.prop];this.pos=this.options.duration?d=e.easing[this.easing](a,this.options.duration*a,0,1,this.options.duration):d=a;this.now=(this.end-this.start)*d+this.start;this.options.step&&this.options.step.call(this.elem,
this.now,this);b&&b.set?b.set(this):E.propHooks._default.set(this);return this}};E.prototype.init.prototype=E.prototype;E.propHooks={_default:{get:function(a){if(null!=a.elem[a.prop]&&(!a.elem.style||null==a.elem.style[a.prop]))return a.elem[a.prop];a=e.css(a.elem,a.prop,"");return!a||"auto"===a?0:a},set:function(a){if(e.fx.step[a.prop])e.fx.step[a.prop](a);else a.elem.style&&(null!=a.elem.style[e.cssProps[a.prop]]||e.cssHooks[a.prop])?e.style(a.elem,a.prop,a.now+a.unit):a.elem[a.prop]=a.now}}};E.propHooks.scrollTop=
E.propHooks.scrollLeft={set:function(a){a.elem.nodeType&&a.elem.parentNode&&(a.elem[a.prop]=a.now)}};e.easing={linear:function(a){return a},swing:function(a){return 0.5-Math.cos(a*Math.PI)/2}};e.fx=E.prototype.init;e.fx.step={};var pa,db,Ld=/^(?:toggle|show|hide)$/,Kc=RegExp("^(?:([+-])=|)("+Wa+")([a-z%]*)$","i"),Md=/queueHooks$/,Ka=[function(a,d,b){var c,f,g,j,n,k,l=this,t={},m=a.style,p=a.nodeType&&za(a),r=e._data(a,"fxshow");b.queue||(j=e._queueHooks(a,"fx"),null==j.unqueued&&(j.unqueued=0,n=j.empty.fire,
j.empty.fire=function(){j.unqueued||n()}),j.unqueued++,l.always(function(){l.always(function(){j.unqueued--;e.queue(a,"fx").length||j.empty.fire()})}));if(1===a.nodeType&&("height"in d||"width"in d))b.overflow=[m.overflow,m.overflowX,m.overflowY],f=e.css(a,"display"),k=Vb(a.nodeName),"none"===f&&(f=k),"inline"===f&&"none"===e.css(a,"float")&&(!s.inlineBlockNeedsLayout||"inline"===k?m.display="inline-block":m.zoom=1);b.overflow&&(m.overflow="hidden",s.shrinkWrapBlocks()||l.always(function(){m.overflow=
b.overflow[0];m.overflowX=b.overflow[1];m.overflowY=b.overflow[2]}));for(c in d)if(f=d[c],Ld.exec(f)){delete d[c];g=g||"toggle"===f;if(f===(p?"hide":"show"))if("show"===f&&r&&void 0!==r[c])p=!0;else continue;t[c]=r&&r[c]||e.style(a,c)}if(!e.isEmptyObject(t))for(c in r?"hidden"in r&&(p=r.hidden):r=e._data(a,"fxshow",{}),g&&(r.hidden=!p),p?e(a).show():l.done(function(){e(a).hide()}),l.done(function(){var d;e._removeData(a,"fxshow");for(d in t)e.style(a,d,t[d])}),t)d=ec(p?r[c]:0,c,l),c in r||(r[c]=d.start,
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a,a=["*"]):a=a.split(" ");for(var b,c=0,f=a.length;c<f;c++)b=a[c],Aa[b]=Aa[b]||[],Aa[b].unshift(d)},prefilter:function(a,d){d?Ka.unshift(a):Ka.push(a)}});e.speed=function(a,d,b){var c=a&&"object"===typeof a?e.extend({},a):{complete:b||!b&&d||e.isFunction(a)&&a,duration:a,easing:b&&d||d&&!e.isFunction(d)&&d};c.duration=e.fx.off?0:"number"===typeof c.duration?c.duration:c.duration in e.fx.speeds?e.fx.speeds[c.duration]:e.fx.speeds._default;if(null==c.queue||!0===c.queue)c.queue="fx";c.old=c.complete;
c.complete=function(){e.isFunction(c.old)&&c.old.call(this);c.queue&&e.dequeue(this,c.queue)};return c};e.fn.extend({fadeTo:function(a,d,b,c){return this.filter(za).css("opacity",0).show().end().animate({opacity:d},a,b,c)},animate:function(a,d,b,c){var f=e.isEmptyObject(a),g=e.speed(d,b,c);d=function(){var d=fc(this,e.extend({},a),g);(f||e._data(this,"finish"))&&d.stop(!0)};d.finish=d;return f||!1===g.queue?this.each(d):this.queue(g.queue,d)},stop:function(a,d,b){var c=function(a){var d=a.stop;delete a.stop;
d(b)};"string"!==typeof a&&(b=d,d=a,a=void 0);d&&!1!==a&&this.queue(a||"fx",[]);return this.each(function(){var d=!0,f=null!=a&&a+"queueHooks",g=e.timers,j=e._data(this);if(f)j[f]&&j[f].stop&&c(j[f]);else for(f in j)j[f]&&(j[f].stop&&Md.test(f))&&c(j[f]);for(f=g.length;f--;)if(g[f].elem===this&&(null==a||g[f].queue===a))g[f].anim.stop(b),d=!1,g.splice(f,1);(d||!b)&&e.dequeue(this,a)})},finish:function(a){!1!==a&&(a=a||"fx");return this.each(function(){var d,b=e._data(this),c=b[a+"queue"];d=b[a+"queueHooks"];
var f=e.timers,g=c?c.length:0;b.finish=!0;e.queue(this,a,[]);d&&d.stop&&d.stop.call(this,!0);for(d=f.length;d--;)f[d].elem===this&&f[d].queue===a&&(f[d].anim.stop(!0),f.splice(d,1));for(d=0;d<g;d++)c[d]&&c[d].finish&&c[d].finish.call(this);delete b.finish})}});e.each(["toggle","show","hide"],function(a,d){var b=e.fn[d];e.fn[d]=function(a,c,e){return null==a||"boolean"===typeof a?b.apply(this,arguments):this.animate(Ja(d,!0),a,c,e)}});e.each({slideDown:Ja("show"),slideUp:Ja("hide"),slideToggle:Ja("toggle"),
fadeIn:{opacity:"show"},fadeOut:{opacity:"hide"},fadeToggle:{opacity:"toggle"}},function(a,d){e.fn[a]=function(a,b,c){return this.animate(d,a,b,c)}});e.timers=[];e.fx.tick=function(){var a,d=e.timers,b=0;for(pa=e.now();b<d.length;b++)a=d[b],!a()&&d[b]===a&&d.splice(b--,1);d.length||e.fx.stop();pa=void 0};e.fx.timer=function(a){e.timers.push(a);a()?e.fx.start():e.timers.pop()};e.fx.interval=13;e.fx.start=function(){db||(db=setInterval(e.fx.tick,e.fx.interval))};e.fx.stop=function(){clearInterval(db);
db=null};e.fx.speeds={slow:600,fast:200,_default:400};e.fn.delay=function(a,d){a=e.fx?e.fx.speeds[a]||a:a;return this.queue(d||"fx",function(d,b){var c=setTimeout(d,a);b.stop=function(){clearTimeout(c)}})};var eb,da,Kb,Lb,Ha=u.createElement("div");Ha.setAttribute("className","t");Ha.innerHTML="  <link/><table></table><a href='/a'>a</a><input type='checkbox'/>";eb=Ha.getElementsByTagName("a")[0];Kb=u.createElement("select");Lb=Kb.appendChild(u.createElement("option"));da=Ha.getElementsByTagName("input")[0];
eb.style.cssText="top:1px";s.getSetAttribute="t"!==Ha.className;s.style=/top/.test(eb.getAttribute("style"));s.hrefNormalized="/a"===eb.getAttribute("href");s.checkOn=!!da.value;s.optSelected=Lb.selected;s.enctype=!!u.createElement("form").enctype;Kb.disabled=!0;s.optDisabled=!Lb.disabled;da=u.createElement("input");da.setAttribute("value","");s.input=""===da.getAttribute("value");da.value="t";da.setAttribute("type","radio");s.radioValue="t"===da.value;var Nd=/\r/g;e.fn.extend({val:function(a){var d,
b,c,f=this[0];if(arguments.length)return c=e.isFunction(a),this.each(function(b){if(1===this.nodeType&&(b=c?a.call(this,b,e(this).val()):a,null==b?b="":"number"===typeof b?b+="":e.isArray(b)&&(b=e.map(b,function(a){return null==a?"":a+""})),d=e.valHooks[this.type]||e.valHooks[this.nodeName.toLowerCase()],!d||!("set"in d)||void 0===d.set(this,b,"value")))this.value=b});if(f){if((d=e.valHooks[f.type]||e.valHooks[f.nodeName.toLowerCase()])&&"get"in d&&void 0!==(b=d.get(f,"value")))return b;b=f.value;
return"string"===typeof b?b.replace(Nd,""):null==b?"":b}}});e.extend({valHooks:{option:{get:function(a){var d=e.find.attr(a,"value");return null!=d?d:e.text(a)}},select:{get:function(a){for(var d,b=a.options,c=a.selectedIndex,f=(a="select-one"===a.type||0>c)?null:[],g=a?c+1:b.length,j=0>c?g:a?c:0;j<g;j++)if(d=b[j],(d.selected||j===c)&&(s.optDisabled?!d.disabled:null===d.getAttribute("disabled"))&&(!d.parentNode.disabled||!e.nodeName(d.parentNode,"optgroup"))){d=e(d).val();if(a)return d;f.push(d)}return f},
set:function(a,d){for(var b,c,f=a.options,g=e.makeArray(d),j=f.length;j--;)if(c=f[j],0<=e.inArray(e.valHooks.option.get(c),g))try{c.selected=b=!0}catch(n){c.scrollHeight}else c.selected=!1;b||(a.selectedIndex=-1);return f}}}});e.each(["radio","checkbox"],function(){e.valHooks[this]={set:function(a,d){if(e.isArray(d))return a.checked=0<=e.inArray(e(a).val(),d)}};s.checkOn||(e.valHooks[this].get=function(a){return null===a.getAttribute("value")?"on":a.value})});var wa,Lc,ea=e.expr.attrHandle,Mb=/^(?:checked|selected)$/i,
na=s.getSetAttribute,fb=s.input;e.fn.extend({attr:function(a,d){return ma(this,e.attr,a,d,1<arguments.length)},removeAttr:function(a){return this.each(function(){e.removeAttr(this,a)})}});e.extend({attr:function(a,d,b){var c,f,g=a.nodeType;if(a&&!(3===g||8===g||2===g)){if(typeof a.getAttribute===N)return e.prop(a,d,b);if(1!==g||!e.isXMLDoc(a))d=d.toLowerCase(),c=e.attrHooks[d]||(e.expr.match.bool.test(d)?Lc:wa);if(void 0!==b)if(null===b)e.removeAttr(a,d);else{if(c&&"set"in c&&void 0!==(f=c.set(a,
b,d)))return f;a.setAttribute(d,b+"");return b}else{if(c&&"get"in c&&null!==(f=c.get(a,d)))return f;f=e.find.attr(a,d);return null==f?void 0:f}}},removeAttr:function(a,b){var c,f,g=0,j=b&&b.match(T);if(j&&1===a.nodeType)for(;c=j[g++];)f=e.propFix[c]||c,e.expr.match.bool.test(c)?fb&&na||!Mb.test(c)?a[f]=!1:a[e.camelCase("default-"+c)]=a[f]=!1:e.attr(a,c,""),a.removeAttribute(na?c:f)},attrHooks:{type:{set:function(a,b){if(!s.radioValue&&"radio"===b&&e.nodeName(a,"input")){var c=a.value;a.setAttribute("type",
b);c&&(a.value=c);return b}}}}});Lc={set:function(a,b,c){!1===b?e.removeAttr(a,c):fb&&na||!Mb.test(c)?a.setAttribute(!na&&e.propFix[c]||c,c):a[e.camelCase("default-"+c)]=a[c]=!0;return c}};e.each(e.expr.match.bool.source.match(/\w+/g),function(a,b){var c=ea[b]||e.find.attr;ea[b]=fb&&na||!Mb.test(b)?function(a,b,d){var e,f;d||(f=ea[b],ea[b]=e,e=null!=c(a,b,d)?b.toLowerCase():null,ea[b]=f);return e}:function(a,b,d){if(!d)return a[e.camelCase("default-"+b)]?b.toLowerCase():null}});if(!fb||!na)e.attrHooks.value=
{set:function(a,b,c){if(e.nodeName(a,"input"))a.defaultValue=b;else return wa&&wa.set(a,b,c)}};na||(wa={set:function(a,b,c){var e=a.getAttributeNode(c);e||a.setAttributeNode(e=a.ownerDocument.createAttribute(c));e.value=b+="";if("value"===c||b===a.getAttribute(c))return b}},ea.id=ea.name=ea.coords=function(a,b,c){var e;if(!c)return(e=a.getAttributeNode(b))&&""!==e.value?e.value:null},e.valHooks.button={get:function(a,b){var c=a.getAttributeNode(b);if(c&&c.specified)return c.value},set:wa.set},e.attrHooks.contenteditable=
{set:function(a,b,c){wa.set(a,""===b?!1:b,c)}},e.each(["width","height"],function(a,b){e.attrHooks[b]={set:function(a,c){if(""===c)return a.setAttribute(b,"auto"),c}}}));s.style||(e.attrHooks.style={get:function(a){return a.style.cssText||void 0},set:function(a,b){return a.style.cssText=b+""}});var Od=/^(?:input|select|textarea|button|object)$/i,Pd=/^(?:a|area)$/i;e.fn.extend({prop:function(a,b){return ma(this,e.prop,a,b,1<arguments.length)},removeProp:function(a){a=e.propFix[a]||a;return this.each(function(){try{this[a]=
void 0,delete this[a]}catch(b){}})}});e.extend({propFix:{"for":"htmlFor","class":"className"},prop:function(a,b,c){var f,g,j;j=a.nodeType;if(a&&!(3===j||8===j||2===j)){if(j=1!==j||!e.isXMLDoc(a))b=e.propFix[b]||b,g=e.propHooks[b];return void 0!==c?g&&"set"in g&&void 0!==(f=g.set(a,c,b))?f:a[b]=c:g&&"get"in g&&null!==(f=g.get(a,b))?f:a[b]}},propHooks:{tabIndex:{get:function(a){var b=e.find.attr(a,"tabindex");return b?parseInt(b,10):Od.test(a.nodeName)||Pd.test(a.nodeName)&&a.href?0:-1}}}});s.hrefNormalized||
e.each(["href","src"],function(a,b){e.propHooks[b]={get:function(a){return a.getAttribute(b,4)}}});s.optSelected||(e.propHooks.selected={get:function(a){if(a=a.parentNode)a.selectedIndex,a.parentNode&&a.parentNode.selectedIndex;return null}});e.each("tabIndex readOnly maxLength cellSpacing cellPadding rowSpan colSpan useMap frameBorder contentEditable".split(" "),function(){e.propFix[this.toLowerCase()]=this});s.enctype||(e.propFix.enctype="encoding");var Nb=/[\t\r\n\f]/g;e.fn.extend({addClass:function(a){var b,
c,f,g,j,n=0,k=this.length;b="string"===typeof a&&a;if(e.isFunction(a))return this.each(function(b){e(this).addClass(a.call(this,b,this.className))});if(b)for(b=(a||"").match(T)||[];n<k;n++)if(c=this[n],f=1===c.nodeType&&(c.className?(" "+c.className+" ").replace(Nb," "):" ")){for(j=0;g=b[j++];)0>f.indexOf(" "+g+" ")&&(f+=g+" ");f=e.trim(f);c.className!==f&&(c.className=f)}return this},removeClass:function(a){var b,c,f,g,j,n=0,k=this.length;b=0===arguments.length||"string"===typeof a&&a;if(e.isFunction(a))return this.each(function(b){e(this).removeClass(a.call(this,
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"JDialog").id];b.registryKey?b.manager.processWindowClosing(b.registryKey):b.dispose()};c._track=function(b){if(c._tracker){try{var f='<iframe style="display:none" width="0" height="0" frameborder="0" tabindex="-1" src="'+(c._tracker+"&applet="+b._jmolType+"&version="+c._version+"&appver="+c.___JmolVersion+"&url="+encodeURIComponent(document.location.href))+'"></iframe>';c.$after("body",f)}catch(g){}delete c._tracker}return b};var w;c.getProfile=function(b){if(self.Clazz&&self.JSON)return w||Clazz._startProfiling(w=
0==arguments.length||b),Clazz.getProfile()};c._getInChIKey=function(b,c){0<=c.indexOf("MOL=")&&c.split("MOL=")[1].split('"')};c._getAttr=function(b,c){var g=b.indexOf(c+"=");return 0<=g&&0<=(g=b.indexOf('"',g))?b.substring(g+1,b.indexOf('"',g+1)):null};c.User={viewUpdatedCallback:null};c.View={count:0,applets:{},sets:{}};(function(b){b.updateView=function(f,g){if(null!=f._viewSet){g.chemID||(f._searchQuery=null);g.data||(g.data="N/A");g.type=f._viewType;if(null==(f._currentView=b.__findView(f._viewSet,
g)))f._currentView=b.__createViewSet(f._viewSet,g.chemID,g.viewID||g.chemID);f._currentView[g.type].data=g.data;f._currentView[g.type].smiles=f._getSmiles();c.User.viewUpdatedCallback&&c.User.viewUpdatedCallback(f,"updateView");b.__setView(f._currentView,f,!1)}};b.updateFromSync=function(f,g){f._updateMsg=g;var j=c._getAttr(g,"sourceID")||c._getAttr(g,"file");if(j){var k=b.__findView(f._viewSet,{viewID:j});if(null==k)return c.updateView(f,g);k!=f._currentView&&b.__setView(k,f,!0);var l=(j=c._getAttr(g,
"atoms"))&&0<=g.indexOf("selectionhalos ON")?eval("["+j+"]"):[];setTimeout(function(){f._currentView==k&&b.updateAtomPick(f,l)},10);c.User.viewUpdatedCallback&&c.User.viewUpdatedCallback(f,"updateFromSync")}};b.updateAtomPick=function(b,g){var j=b._currentView;if(null!=j){for(var k in j)"info"!=k&&j[k].applet!=b&&j[k].applet._updateAtomPick(g);c.User.viewUpdatedCallback&&c.User.viewUpdatedCallback(b,"updateAtomPick")}};b.dumpViews=function(c){var g=b.sets[c];if(g){var j="View set "+c+":\n";c=b.applets[c];
for(var k in c)j+="\napplet "+c[k]._id+" currentView="+(c[k]._currentView?c[k]._currentView.info.viewID:null);for(k=g.length;0<=--k;){c=g[k];var j=j+("\n\n<b>view="+k+" viewID="+c.info.viewID+" chemID="+c.info.chemID+"</b>\n"),l,m;for(m in c)"info"!=m&&(j+="\nview="+k+" type="+m+" applet="+((l=c[m]).applet?l.applet._id:null)+" SMILES="+l.smiles+"\n atomMap="+JSON.stringify(l.atomMap)+"\n data=\n"+l.data+"\n")}return j}};b.__init=function(c){var g=c._viewSet,j=b.applets;j[g]||(j[g]={});j[g][c._viewType]=
c};b.__findView=function(c,g){var j=b.sets[c];null==j&&(j=b.sets[c]=[]);for(var k=j.length;0<=--k;){var l=j[k];if(g.viewID){if(l.info.viewID==g.viewID)return l}else{if(null!=g.chemID&&g.chemID==l.info.chemID)return l;for(var m in l)if("info"!=m&&(null!=g.data&&null!=l[m].data?g.data==l[m].data:g.type==m))return l}}return null};b.__createViewSet=function(f,g,j){b.count++;g={info:{chemID:g,viewID:j||"model_"+b.count}};for(var k in c._applets)j=c._applets[k],j._viewSet==f&&(g[j._viewType]={applet:j,
data:null});b.sets[f].push(g);return g};b.__setView=function(b,c,j){for(var k in b)if("info"!=k){var l=b[k],m=l.applet,p=j||null!=m&&"<modified>"==m._molData;if(!(null==m||m==c&&!p)){var r=null==l.data,v=null!=m._currentView;m._currentView=b;if(!v||!(b[k].data==l.data&&!r&!p))if(m._loadModelFromView(b),r)break}}}})(c.View);c.Cache={fileCache:{}};c.Cache.get=function(b){return c.Cache.fileCache[b]};c.Cache.put=function(b,f){c.Cache.fileCache[b]=f};c.Cache.setDragDrop=function(b){c.$appEvent(b,"appletdiv",
"dragover",function(b){b=b.originalEvent;b.stopPropagation();b.preventDefault();b.dataTransfer.dropEffect="copy"});c.$appEvent(b,"appletdiv","drop",function(f){var g=f.originalEvent;g.stopPropagation();g.preventDefault();var j=g.dataTransfer.files[0];if(null==j)try{j=""+g.dataTransfer.getData("text"),(0==j.indexOf("file:/")||0==j.indexOf("http:/"))&&b._scriptLoad(j)}catch(k){}else g=new FileReader,g.onloadend=function(g){if(g.target.readyState==FileReader.DONE){var k="cache://DROP_"+j.name;g=Clazz.newByteArray(-1,
g.target.result);k.endsWith(".spt")||b._appletPanel.cacheFileByName("cache://DROP_*",!1);"JSV"==b._viewType||k.endsWith(".jdx")?c.Cache.put(k,g):b._appletPanel.cachePut(k,g);(g=c._jsGetXY(b._canvas,f))&&(!b._appletPanel.setStatusDragDropped||b._appletPanel.setStatusDragDropped(0,g[0],g[1],k))&&b._appletPanel.openFileAsyncSpecial(k,1)}},g.readAsArrayBuffer(j)})}})(Jmol,jQuery);Jmol._debugCode=!1;Jmol._grabberOptions=[["$","NCI(small molecules)"],[":","PubChem(small molecules)"]];Jmol.say=function(c){alert(c)};
Jmol._TMApplet=function(c,m,j){this._uniqueId=(""+Math.random()).substring(3);this._id=c;this._is2D=!0;this._isJava=!1;this._ready=!0;this._mouseDown=!1;this._jmolType="Jmol._Canvas2D (TwirlyMol)";if(j)return this;this._createCanvas(c,m);return this};
Jmol._TMApplet._getApplet=function(c,m,j){if(!Jmol.featureDetection.allowHTML5)return null;j||(j=!1);m||(m={});Jmol._addDefaultInfo(m,{color:"#FFFFFF",width:300,height:300,addSelectionOptions:!1,serverURL:"http://your.server.here/jsmol.php",defaultModel:"",readyFunction:null,use:"HTML5",bondWidth:5,shadeAtoms:!1,zoomScaling:1.5,pinchScaling:2,mouseDragFactor:0.5,touchDragFactor:0.15,multipleBondSpacing:4,spinRateX:0,spinRateY:0.5,spinFPS:20,spin:!1,noscript:!0,debug:!1});m=new Jmol._TMApplet(c,m,
j);return j?m:Jmol._registerApplet(c,m)};Jmol.getTMApplet=Jmol._TMApplet._getApplet;
(function(c){c._CPK="#FF1493 #FFFFFF #D9FFFF #CC80FF #C2FF00 #FFB5B5 #909090 #3050F8 #FF0D0D #90E050 #B3E3F5 #AB5CF2 #8AFF00 #BFA6A6 #F0C8A0 #FF8000 #FFFF30 #1FF01F #80D1E3 #8F40D4 #3DFF00 #E6E6E6 #BFC2C7 #A6A6AB #8A99C7 #9C7AC7 #E06633 #F090A0 #50D050 #C88033 #7D80B0 #C28F8F #668F8F #BD80E3 #FFA100 #A62929 #5CB8D1 #702EB0 #00FF00 #94FFFF #94E0E0 #73C2C9 #54B5B5 #3B9E9E #248F8F #0A7D8C #006985 #C0C0C0 #FFD98F #A67573 #668080 #9E63B5 #D47A00 #940094 #429EB0 #57178F #00C900".split(" ");c._elem="X H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu Am Cm Bk Cf Es".split(" ");
c._elemNo={};var m=c.prototype;m.spin=function(c){this.__Info.spin=c;this._spin(c)};m._spin=function(c){this._spinThread&&clearTimeout(this._spinThread);if(0==this.spinFPS||0==this.spinRateX&&0==this.spinRateY)c=!1;if(c){var k=this;c=1E3/this.spinFPS;this._mouseDown||(this._rotate(this.spinRateY,this.spinRateX),this._draw());this._spinThread=setTimeout(function(){k._spin(!0)},c)}};m._initParams=function(){this.zoom=this.__Info.defaultZoom||100;this.doSpin=this.__Info.spin||!1;this.center2D=[this._canvas.width/
2,this._canvas.height/2,0];this._getCenterAndRadius();this.rotation=new c.M3;this.shadeAtoms=!1;this._setParams()};m._setParams=function(){this.bondWidth=this.__Info.bondWidth||5;this.zoomScaling=this.__Info.zoomScaling||1.5;this.pinchScaling=this.__Info.pinchScaling||1;this.mouseDragFactor=this.__Info.mouseDragFactor||0.5;this.touchDragFactor=this.__Info.touchDragFactor||0.15;this.multipleBondSpacing=this.__Info.multipleBondSpacing||4;this.spinRateX=this.__Info.spinRateX||0;this.spinRateY=this.__Info.spinRateY||
0;this.spinFPS=this.__Info.spinFPS||0;var c=this.shadeAtoms;(this.shadeAtoms=this.__Info.shadeAtoms||!1)&&!c&&this._setAtomShades()};m._setAtomShades=function(){if(this.atoms)for(var c=this.atoms.length;0<=--c;)this.atoms[c].color50=this._getColor(this.atoms[c].color,0.5)};m._createCanvas=function(c,k){Jmol._setObject(this,c,k);this._color=this._color.replace(/0x/,"#");var l=Jmol._getWrapper(this,!0);Jmol._document?(Jmol._documentWrite(l),this._createCanvas2d(!1),l=""):l+='<script type="text/javascript">'+
c+"._createCanvas2d(false)\x3c/script>";l+=Jmol._getWrapper(this,!1);k.addSelectionOptions&&(l+=Jmol._getGrabberOptions(this,""));Jmol._debugAlert&&!Jmol._document&&alert(l);this._code=Jmol._documentWrite(l)};m._createCanvas2d=function(c){var k=document.createElement("canvas"),l=Jmol.$(this,"appletdiv");c&&(l[0].removeChild(this._canvas),Jmol._jsUnsetMouse(this._canvas));c=Math.round(l.width());var m=Math.round(l.height());k.applet=this;this._canvas=k;k.style.width="100%";k.style.height="100%";k.width=
c;k.height=m;k.id=this._id+"_canvas2d";l.append(k);setTimeout(this._id+"._start()",10)};m._start=function(){Jmol._jsSetMouse(this._canvas);this._defaultModel?Jmol._search(this,this._defaultModel,this._readyScript?this._readyScript:""):this._src&&this._loadFile(this._src);this._showInfo(!0);this._showInfo(!1)};m._search=function(c,k){Jmol._search(this,c,k)};m._searchDatabase=function(c,k,l){this._showInfo(!1);0<=c.indexOf("?")?Jmol._getInfoFromDatabase(this,k,c.split("?")[0]):this._loadFile(k+c,l)};
m.__loadModel=function(c){this._spin(!1);"''"==c&&(c=this._mol);c?(this._parse(c),this._initParams(),this._draw(),this._showInfo(!1),this.doSpin&&this._spin(!0)):alert("No model data.")};m._showInfo=function(c){Jmol.$html(Jmol.$(this,"infoheaderspan"),this._infoHeader);this._info&&Jmol.$html(Jmol.$(this,"infodiv"),this._info);!this._isInfoVisible!=!c&&(this._isInfoVisible=c,Jmol.$setVisible(Jmol.$(this,"infotablediv"),c),Jmol.$setVisible(Jmol.$(this,"infoheaderdiv"),c),this._show(!c))};m._show=function(c){Jmol.$setVisible(Jmol.$(this,
"appletdiv"),c);c&&this._draw()};m._resize=function(){var c="__resizeTimeout_"+this._id;Jmol[c]&&clearTimeout(Jmol[c]);var k=this;Jmol[c]=setTimeout(function(){k._draw();Jmol[c]=null},100)};m._canScript=function(){return!0};m._script=function(c){for(var k=c.split(";"),l=0;l<k.length;l++)c=k[l].trim(),"image"==c?window.open(this._canvas.toDataURL("image/png")):0==c.indexOf("load ")?this._loadFile(c.substring(5).trim()):0==c.indexOf("spin ")&&this.spin(0>c.toLowerCase().indexOf("off"))};m._loadFile=
function(c){this._showInfo(!1);this._thisJmolModel=c;var k=this;Jmol._loadFileData(this,c,function(c){k.__loadModel(c)})};m._processEvent=function(c,k){switch(c){case 502:case 503:this._mouseDown=!1;default:return;case 501:this._mouseX=k[0];this._mouseY=k[1];this._mouseDown=!0;return;case 506:var l=k[0]-this._mouseX,m=k[1]-this._mouseY,l=0>l?-1:0<l?1:0,m=0>m?-1:0<m?1:0;switch(k[2]){case 17:this._zoomBy(m);break;case 24:this.center2D[0]+=l;this.center2D[1]+=m;break;default:this._rotate(l,m)}this._mouseX=
k[0];this._mouseY=k[1];break;case -1:this._zoomBy(k[1])}this._draw()};m._processGesture=function(j){if(!(2>j[0].length)){var k=j[0],l=j[1],m=k[0],r=k[l.length-1];j=m[0];var v=r[0],m=m[1],r=r[1],w=[v-j,r-m,0],b=c._length(w),f=l[0],g=l[l.length-1],l=f[0],n=g[0],f=f[1],g=g[1],t=[n-l,g-f,0],H=c._length(t);3>b||3>H||(c._scale(w,1/b),c._scale(t,1/H),w=c._dot(w,t),0.8<w?(j=Math.round(v-k[k.length-2][0]),k=Math.round(r-k[k.length-2][1]),this.center2D[0]+=j,this.center2D[1]+=k):-0.8>w&&(w=[l-j,f-m,0],t=[n-
v,g-r,0],k=c._length(t)-c._length(w),this.zoom+=(0>k?-1:1)*this.pinchScaling),this._draw())}};m._zoomBy=function(c){this.zoom+=c*this.zoomScaling;5>this.zoom&&(this.zoom=5);500<this.zoom&&(this.zoom=500)};m._getRotationScaling=function(){return[1/Math.max(this._canvas.width,500)*this.mouseDragFactor*c.deg_per_radian,1/Math.max(this._canvas.height,500)*this.mouseDragFactor*c.deg_per_radian]};m._rotate=function(j,k){var l=this._getRotationScaling();k&&(c._m3.rotX(k*l[1]),this.rotation.mul(c._m3));j&&
(c._m3.rotY(j*l[0]),this.rotation.mul(c._m3))};m._getCenterAndRadius=function(){Math.min(this._canvas.width,this._canvas.height);for(var j=[999999,999999,999999],k=[-999999,-999999,-999999],l=this.atoms.length;0<=--l;)for(var m=3;0<=--m;){var r=this.atoms[l].xyz[m];r<j[m]&&(j[m]=r);r>k[m]&&(k[m]=r)}r=[0,0,0];for(m=3;0<=--m;)r[m]=(k[m]+j[m])/2;j=0;for(l=this.atoms.length;0<=--l;)k=this.atoms[l],k=c._distance(k.xyz,r)+(1==k.elemNo?1:1.5),k>j&&(j=k);this.center=r;this.modelRadius=0==j?10:j};m._setScreenCoords=
function(){for(var c=this.center,k=this.rotation,l=this.center2D,m=Math.min(this._canvas.width,this._canvas.height)/2/this.modelRadius*this.zoom/100,r=this.atoms.length;0<=--r;){var v=this.atoms[r];this._transform(v.xyz,v.sxyz,c,k,m,l);v.srad=m*v.radius}for(r=this.bonds.length;0<=--r;)v=this.bonds[r],this._transform(v.xyz,v.sxyz,c,k,m,l),this._transform(v.pts[0],v.spts[0],c,k,m,l),this._transform(v.pts[1],v.spts[1],c,k,m,l)};m._transform=function(j,k,l,m,r,v){for(var w=c._temp1,b=c._temp2,f=3;0<=
--f;)w[f]=(j[f]-l[f])*r;m.transform(w,b);b[1]=-b[1];b[2]=-b[2];for(f=3;0<=--f;)k[f]=b[f]+v[f]};m._parse=function(c){this._parseSDF(c)};m._parseSDF=function(j){this._mol=j;if(!c._elemNo.H)for(var k=c._elem.length;0<=--k;)c._elemNo[c._elem[k]]=k;j=j.split("\n");var l=3,m=j[l++];this.nAtoms=parseFloat(m.substring(0,3));this.nBonds=parseFloat(m.substring(3,6));this.atoms=Array(this.nAtoms);this.bonds=Array(this.nBonds);this.elements=Array(this.nAtoms+this.nBonds);for(var r=0,v,w,b,k=0;k<this.nAtoms;k++){m=
j[l++];v=parseFloat(m.substring(0,10));w=parseFloat(m.substring(10,20));b=parseFloat(m.substring(20,30));var m=m.substring(31,34).replace(/\s+/g,""),m=c._elemNo[m]||0,f=1==m?0.23:0.35,g=c._CPK[m]||c._CPK[0];this.elements[r++]=this.atoms[k]={type:0,elemNo:m,xyz:[v,w,b],sxyz:[0,0,0],radius:f,color:g,color50:g}}for(k=0;k<this.nBonds;k++){m=j[l++];v=this.atoms[parseFloat(m.substring(0,3))-1];w=this.atoms[parseFloat(m.substring(3,6))-1];b=Math.abs(parseFloat(m.substring(6,9)));switch(b){case 4:case 5:case 6:case 8:b=
1;break;case 7:b=2}m=c._getPointAlong(v.xyz,w.xyz,0.5);g=c._distance(v.xyz,m);f=v.radius<g?c._getPointAlong(v.xyz,m,v.radius/g):[0,0,99999];g=w.radius<g?c._getPointAlong(w.xyz,m,w.radius/g):[0,0,99999];this.elements[r++]=this.bonds[k]={type:1,atoms:[v,w],xyz:m,pts:[f,g],sxyz:[0,0,0],spts:[[0,0,0],[0,0,0]],order:b,color:0}}};m._getColor=function(c,k){"#FFFFFF"==c&&(c="#D0D0D0");var l=parseInt("0x"+c.substring(1),16),m=l>>16&255,r=l>>8&255,l=l&255;255!=m&&(m+=Math.floor((255-m)*k));255!=r&&(r+=Math.floor((255-
r)*k));255!=l&&(l+=Math.floor((255-l)*k));m="000000"+(m<<16|r<<8|l).toString(16);return"#"+m.substring(m.length-6,m.length)};m._draw=function(){if(this.atoms){this._setParams();this._setScreenCoords();var j=this.elements;j.sort(c._zorder);var k=this._canvas.getContext("2d");k.fillStyle=this._color;k.fillRect(0,0,this._canvas.width,this._canvas.height);for(var l=j.length;0<=--l;){var m=j[l];0==m.type?this._drawAtom(k,m):this._drawBond(k,m)}}};m._drawAtom=function(j,k){j.beginPath();if(this.shadeAtoms){var l=
k.srad/4,l=j.createRadialGradient(k.sxyz[0]-l,k.sxyz[1]-l,l,k.sxyz[0],k.sxyz[1],k.srad);l.addColorStop(0,k.color50);l.addColorStop(1,"#FFFFFF"==k.color?"#D0D0D0":k.color);j.fillStyle=l;j.arc(k.sxyz[0],k.sxyz[1],k.srad,0,c._pi2);j.fill()}else j.fillStyle=k.color,j.arc(k.sxyz[0],k.sxyz[1],k.srad,0,c._pi2),j.fill(),j.strokeStyle="#000000",j.lineWidth=1,j.stroke()};m._drawBond=function(c,k){99999!=k.pts[0][2]&&this._drawBondLines(c,k,k.spts[0],k.atoms[0].color);99999!=k.pts[1][2]&&this._drawBondLines(c,
k,k.spts[1],k.atoms[1].color)};m._drawBondLines=function(j,k,l,m){var r=c._temp;r.width=this.bondWidth;r.color=k.color?k.color:m;if(1==k.order)r.pt1=l,r.pt2=k.sxyz,this._drawLine(j,r);else{r.pt1=c._temp1;r.pt2=c._temp2;r.pta=l;r.ptb=k.sxyz;r.dx=r.ptb[0]-r.pta[0];r.dy=r.ptb[1]-r.pta[1];r.mag2d=Math.round(Math.sqrt(r.dx*r.dx+r.dy*r.dy));r.bondOrder=k.order;for(this._resetAxisCoordinates(r);0<r.bondOrder;)this._drawLine(j,r),r.bondOrder--,this._stepAxisCoordinates(r)}};m._drawLine=function(c,k){c.beginPath();
c.strokeStyle=k.color;c.moveTo(k.pt1[0],k.pt1[1]);c.lineTo(k.pt2[0],k.pt2[1]);c.lineWidth=k.width;c.stroke()};m._resetAxisCoordinates=function(c){var k=c.mag2d>>3;1!=this.multipleBondSpacing&&(k*=this.multipleBondSpacing);k=c.width+k;c.dxStep=Math.round(k*c.dy/c.mag2d);c.dyStep=Math.round(k*-c.dx/c.mag2d);c.pt1[0]=c.pta[0];c.pt1[1]=c.pta[1];c.pt2[0]=c.ptb[0];c.pt2[1]=c.ptb[1];k=c.bondOrder-1;c.pt1[0]-=Math.round(c.dxStep*k/2);c.pt1[1]-=Math.round(c.dyStep*k/2);c.pt2[0]-=Math.round(c.dxStep*k/2);c.pt2[1]-=
Math.round(c.dyStep*k/2)};m._stepAxisCoordinates=function(c){c.pt1[0]+=c.dxStep;c.pt1[1]+=c.dyStep;c.pt2[0]+=c.dxStep;c.pt2[1]+=c.dyStep};c._distance=function(c,k){for(var l=0,m=3;0<=--m;)var r=c[m]-k[m],l=l+r*r;return Math.sqrt(l)};c._dot=function(c,k){for(var l=0,m=3;0<=--m;)l+=c[m]*k[m];return l};c._setPt=function(c,k){for(var l=3;0<=--l;)k[l]=c[l];return k};c._scale=function(c,k){for(var l=3;0<=--l;)c[l]*=k};c._length=function(c){for(var k=0,l=3;0<=--l;)k+=c[l]*c[l];return Math.sqrt(k)};c._getPointAlong=
function(c,k,l){return[(k[0]-c[0])*l+c[0],(k[1]-c[1])*l+c[1],(k[2]-c[2])*l+c[2]]};c._zorder=function(c,k){var l=c.sxyz[2],m=k.sxyz[2];return l<m?-1:l>m?1:0};c.M3=function(){this.m00=1;this.m10=this.m02=this.m01=0;this.m11=1;this.m21=this.m20=this.m12=0;this.m22=1};c.M3.prototype.set=function(c,k,l,m,r,v,w,b,f){this.m00=c;this.m01=k;this.m02=l;this.m10=m;this.m11=r;this.m12=v;this.m20=w;this.m21=b;this.m22=f};c.M3.prototype.transform=function(c,k){k[0]=this.m00*c[0]+this.m01*c[1]+this.m02*c[2];k[1]=
this.m10*c[0]+this.m11*c[1]+this.m12*c[2];k[2]=this.m20*c[0]+this.m21*c[1]+this.m22*c[2]};c.M3.prototype.rotX=function(c){var k=Math.cos(c);c=Math.sin(c);this.m00=1;this.m10=this.m02=this.m01=0;this.m11=k;this.m12=-c;this.m20=0;this.m21=c;this.m22=k};c.M3.prototype.rotY=function(c){var k=Math.cos(c);c=Math.sin(c);this.m00=k;this.m01=0;this.m02=c;this.m10=0;this.m11=1;this.m12=0;this.m20=-c;this.m21=0;this.m22=k};c.M3.prototype.mul=function(c){this.set(c.m00*this.m00+c.m01*this.m10+c.m02*this.m20,
c.m00*this.m01+c.m01*this.m11+c.m02*this.m21,c.m00*this.m02+c.m01*this.m12+c.m02*this.m22,c.m10*this.m00+c.m11*this.m10+c.m12*this.m20,c.m10*this.m01+c.m11*this.m11+c.m12*this.m21,c.m10*this.m02+c.m11*this.m12+c.m12*this.m22,c.m20*this.m00+c.m21*this.m10+c.m22*this.m20,c.m20*this.m01+c.m21*this.m11+c.m22*this.m21,c.m20*this.m02+c.m21*this.m12+c.m22*this.m22)};c._pi2=2*Math.PI;c.deg_per_radian=180/Math.PI;c._z3=[0,0,0];c._temp1=[0,0,0];c._temp2=[0,0,0];c._temp={};c._m3=new c.M3})(Jmol._TMApplet);
