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Jmol._TMApplet._getApplet=function(c,j,g){if(!Jmol.featureDetection.allowHTML5)return null;g||(g=!1);j||(j={});Jmol._addDefaultInfo(j,{color:"#FFFFFF",width:300,height:300,addSelectionOptions:!1,serverURL:"http://chemapps.stolaf.edu/jmol/jsmol/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});j=new Jmol._TMApplet(c,
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(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 j=c.prototype;j.spin=function(c){this.__Info.spin=c;this._spin(c)};j._spin=function(c){this._spinThread&&clearTimeout(this._spinThread);if(0==this.spinFPS||0==this.spinRateX&&0==this.spinRateY)c=!1;if(c){var h=this;c=1E3/this.spinFPS;this._mouseDown||(this._rotate(this.spinRateY,this.spinRateX),this._draw());this._spinThread=setTimeout(function(){h._spin(!0)},c)}};j._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()};j._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()};j._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)};j._createCanvas=function(c,h){Jmol._setObject(this,c,h);this._color=this._color.replace(/0x/,"#");var j=Jmol._getWrapper(this,!0);Jmol._document?(Jmol._documentWrite(j),this._createCanvas2d(!1),j=""):j+='<script type="text/javascript">'+
c+"._createCanvas2d(false)\x3c/script>";j+=Jmol._getWrapper(this,!1);h.addSelectionOptions&&(j+=Jmol._getGrabberOptions(this,""));Jmol._debugAlert&&!Jmol._document&&alert(j);this._code=Jmol._documentWrite(j)};j._readyCallback=function(c,h,j,p){j&&(Jmol._setDestroy(this),this._ready=!0,c=this._readyScript,this._applet=p,this._defaultModel?this._search(this._defaultModel,c?";"+c:""):this._src&&this._loadFile(this._src),this._showInfo(!0),this._showInfo(!1),this._readyFunction&&this._readyFunction(this),
Jmol._setReady(this))};j._createCanvas2d=function(c){var h=document.createElement("canvas"),j=Jmol.$(this,"appletdiv");c&&(j[0].removeChild(this._canvas),Jmol._jsUnsetMouse(this._canvas));c=Math.round(j.width());var p=Math.round(j.height());h.applet=this;this._canvas=h;h.style.width="100%";h.style.height="100%";h.width=c;h.height=p;h.id=this._id+"_canvas2d";j.append(h);setTimeout(this._id+"._start()",10)};j._start=function(){Jmol._jsSetMouse(this._canvas);this._defaultModel?Jmol._search(this,this._defaultModel):
this._src&&this._loadFile(this._src);this._showInfo(!0);this._showInfo(!1)};j._search=function(c,h){Jmol._search(this,c,h)};j._searchDatabase=function(c,h,j){this._showInfo(!1);if(0<=c.indexOf("?"))Jmol._getInfoFromDatabase(this,h,c.split("?")[0]);else{var p=h+c;if(Jmol.db._DirectDatabaseCalls[h])this._loadFile(p,j);else{var s=this;Jmol._getRawDataFromServer(h,c,function(c){s._loadModel(c,"")})}}};j._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.")};j._showInfo=function(c){Jmol._getElement(this,"infoheaderspan").innerHTML=this._infoHeader;this._info&&(Jmol._getElement(this,"infodiv").innerHTML=this._info);!this._isInfoVisible!=!c&&(this._isInfoVisible=c,this._infoObject?this._infoObject._showInfo(c):(Jmol._getElement(this,"infotablediv").style.display=c?"block":"none",Jmol._getElement(this,"infoheaderdiv").style.display=c?"block":"none"),this._show(!c))};j._show=
function(c){Jmol._getElement(this,"appletdiv").style.display=c?"block":"none";c&&this._draw()};j._resize=function(){var c="__resizeTimeout_"+this._id;Jmol[c]&&clearTimeout(Jmol[c]);var h=this;Jmol[c]=setTimeout(function(){h._draw();Jmol[c]=null},100)};j._canScript=function(){return!1};j._loadFile=function(c){this._showInfo(!1);this._thisJmolModel=c;var h=this;Jmol._loadFileData(this,c,function(c){h._loadModel(c)})};j._processEvent=function(c,h){switch(c){case 502:case 503:this._mouseDown=!1;default:return;
case 501:this._mouseX=h[0];this._mouseY=h[1];this._mouseDown=!0;return;case 506:var j=h[0]-this._mouseX,p=h[1]-this._mouseY,j=0>j?-1:0<j?1:0,p=0>p?-1:0<p?1:0;switch(h[2]){case 17:this._zoomBy(p);break;case 24:this.center2D[0]+=j;this.center2D[1]+=p;break;default:this._rotate(j,p)}this._mouseX=h[0];this._mouseY=h[1];break;case -1:this._zoomBy(h[1])}this._draw()};j._processGesture=function(g){if(!(2>g[0].length)){var h=g[0],j=g[1],p=h[0],s=h[j.length-1];g=p[0];var x=s[0],p=p[1],s=s[1],t=[x-g,s-p,0],
d=c._length(t),k=j[0],m=j[j.length-1],j=k[0],w=m[0],k=k[1],m=m[1],C=[w-j,m-k,0],Q=c._length(C);3>d||3>Q||(c._scale(t,1/d),c._scale(C,1/Q),t=c._dot(t,C),0.8<t?(g=Math.round(x-h[h.length-2][0]),h=Math.round(s-h[h.length-2][1]),this.center2D[0]+=g,this.center2D[1]+=h):-0.8>t&&(t=[j-g,k-p,0],C=[w-x,m-s,0],h=c._length(C)-c._length(t),this.zoom+=(0>h?-1:1)*this.pinchScaling),this._draw())}};j._zoomBy=function(c){this.zoom+=c*this.zoomScaling;5>this.zoom&&(this.zoom=5);500<this.zoom&&(this.zoom=500)};j._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]};j._rotate=function(g,h){var j=this._getRotationScaling();h&&(c._m3.rotX(h*j[1]),this.rotation.mul(c._m3));g&&(c._m3.rotY(g*j[0]),this.rotation.mul(c._m3))};j._getCenterAndRadius=function(){Math.min(this._canvas.width,this._canvas.height);for(var g=[999999,999999,999999],h=[-999999,-999999,-999999],j=this.atoms.length;0<=--j;)for(var p=
3;0<=--p;){var s=this.atoms[j].xyz[p];s<g[p]&&(g[p]=s);s>h[p]&&(h[p]=s)}s=[0,0,0];for(p=3;0<=--p;)s[p]=(h[p]+g[p])/2;g=0;for(j=this.atoms.length;0<=--j;)h=this.atoms[j],h=c._distance(h.xyz,s)+(1==h.elemNo?1:1.5),h>g&&(g=h);this.center=s;this.modelRadius=0==g?10:g};j._setScreenCoords=function(){for(var c=this.center,h=this.rotation,j=this.center2D,p=Math.min(this._canvas.width,this._canvas.height)/2/this.modelRadius*this.zoom/100,s=this.atoms.length;0<=--s;){var x=this.atoms[s];this._transform(x.xyz,
x.sxyz,c,h,p,j);x.srad=p*x.radius}for(s=this.bonds.length;0<=--s;)x=this.bonds[s],this._transform(x.xyz,x.sxyz,c,h,p,j),this._transform(x.pts[0],x.spts[0],c,h,p,j),this._transform(x.pts[1],x.spts[1],c,h,p,j)};j._transform=function(g,h,j,p,s,x){for(var t=c._temp1,d=c._temp2,k=3;0<=--k;)t[k]=(g[k]-j[k])*s;p.transform(t,d);d[1]=-d[1];d[2]=-d[2];for(k=3;0<=--k;)h[k]=d[k]+x[k]};j._parse=function(c){this._parseSDF(c)};j._parseSDF=function(g){this._mol=g;if(!c._elemNo.H)for(var h=c._elem.length;0<=--h;)c._elemNo[c._elem[h]]=
h;g=g.split("\n");var j=3,p=g[j++];this.nAtoms=parseFloat(p.substring(0,3));this.nBonds=parseFloat(p.substring(3,6));this.atoms=Array(this.nAtoms);this.bonds=Array(this.nBonds);this.elements=Array(this.nAtoms+this.nBonds);for(var s=0,x,t,d,h=0;h<this.nAtoms;h++){p=g[j++];x=parseFloat(p.substring(0,10));t=parseFloat(p.substring(10,20));d=parseFloat(p.substring(20,30));var p=p.substring(31,34).replace(/\s+/g,""),p=c._elemNo[p]||0,k=1==p?0.23:0.35,m=c._CPK[p]||c._CPK[0];this.elements[s++]=this.atoms[h]=
{type:0,elemNo:p,xyz:[x,t,d],sxyz:[0,0,0],radius:k,color:m,color50:m}}for(h=0;h<this.nBonds;h++){p=g[j++];x=this.atoms[parseFloat(p.substring(0,3))-1];t=this.atoms[parseFloat(p.substring(3,6))-1];d=Math.abs(parseFloat(p.substring(6,9)));switch(d){case 4:case 5:case 6:case 8:d=1;break;case 7:d=2}p=c._getPointAlong(x.xyz,t.xyz,0.5);m=c._distance(x.xyz,p);k=x.radius<m?c._getPointAlong(x.xyz,p,x.radius/m):[0,0,99999];m=t.radius<m?c._getPointAlong(t.xyz,p,t.radius/m):[0,0,99999];this.elements[s++]=this.bonds[h]=
{type:1,atoms:[x,t],xyz:p,pts:[k,m],sxyz:[0,0,0],spts:[[0,0,0],[0,0,0]],order:d,color:0}}};j._getColor=function(c,h){"#FFFFFF"==c&&(c="#D0D0D0");var j=parseInt("0x"+c.substring(1),16),p=j>>16&255,s=j>>8&255,j=j&255;255!=p&&(p+=Math.floor((255-p)*h));255!=s&&(s+=Math.floor((255-s)*h));255!=j&&(j+=Math.floor((255-j)*h));p="000000"+(p<<16|s<<8|j).toString(16);return"#"+p.substring(p.length-6,p.length)};j._draw=function(){if(this.atoms){this._setParams();this._setScreenCoords();var g=this.elements;g.sort(c._zorder);
var h=this._canvas.getContext("2d");h.fillStyle=this._color;h.fillRect(0,0,this._canvas.width,this._canvas.height);for(var j=g.length;0<=--j;){var p=g[j];0==p.type?this._drawAtom(h,p):this._drawBond(h,p)}}};j._drawAtom=function(g,h){g.beginPath();if(this.shadeAtoms){var j=h.srad/4,j=g.createRadialGradient(h.sxyz[0]-j,h.sxyz[1]-j,j,h.sxyz[0],h.sxyz[1],h.srad);j.addColorStop(0,h.color50);j.addColorStop(1,"#FFFFFF"==h.color?"#D0D0D0":h.color);g.fillStyle=j;g.arc(h.sxyz[0],h.sxyz[1],h.srad,0,c._pi2);
g.fill()}else g.fillStyle=h.color,g.arc(h.sxyz[0],h.sxyz[1],h.srad,0,c._pi2),g.fill(),g.strokeStyle="#000000",g.lineWidth=1,g.stroke()};j._drawBond=function(c,h){99999!=h.pts[0][2]&&this._drawBondLines(c,h,h.spts[0],h.atoms[0].color);99999!=h.pts[1][2]&&this._drawBondLines(c,h,h.spts[1],h.atoms[1].color)};j._drawBondLines=function(g,h,j,p){var s=c._temp;s.width=this.bondWidth;s.color=h.color?h.color:p;if(1==h.order)s.pt1=j,s.pt2=h.sxyz,this._drawLine(g,s);else{s.pt1=c._temp1;s.pt2=c._temp2;s.pta=
j;s.ptb=h.sxyz;s.dx=s.ptb[0]-s.pta[0];s.dy=s.ptb[1]-s.pta[1];s.mag2d=Math.round(Math.sqrt(s.dx*s.dx+s.dy*s.dy));s.bondOrder=h.order;for(this._resetAxisCoordinates(s);0<s.bondOrder;)this._drawLine(g,s),s.bondOrder--,this._stepAxisCoordinates(s)}};j._drawLine=function(c,h){c.beginPath();c.strokeStyle=h.color;c.moveTo(h.pt1[0],h.pt1[1]);c.lineTo(h.pt2[0],h.pt2[1]);c.lineWidth=h.width;c.stroke()};j._resetAxisCoordinates=function(c){var h=c.mag2d>>3;1!=this.multipleBondSpacing&&(h*=this.multipleBondSpacing);
h=c.width+h;c.dxStep=Math.round(h*c.dy/c.mag2d);c.dyStep=Math.round(h*-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];h=c.bondOrder-1;c.pt1[0]-=Math.round(c.dxStep*h/2);c.pt1[1]-=Math.round(c.dyStep*h/2);c.pt2[0]-=Math.round(c.dxStep*h/2);c.pt2[1]-=Math.round(c.dyStep*h/2)};j._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,h){for(var j=0,p=3;0<=--p;)var s=c[p]-h[p],j=j+s*s;return Math.sqrt(j)};
c._dot=function(c,h){for(var j=0,p=3;0<=--p;)j+=c[p]*h[p];return j};c._setPt=function(c,h){for(var j=3;0<=--j;)h[j]=c[j];return h};c._scale=function(c,h){for(var j=3;0<=--j;)c[j]*=h};c._length=function(c){for(var h=0,j=3;0<=--j;)h+=c[j]*c[j];return Math.sqrt(h)};c._getPointAlong=function(c,h,j){return[(h[0]-c[0])*j+c[0],(h[1]-c[1])*j+c[1],(h[2]-c[2])*j+c[2]]};c._zorder=function(c,h){var j=c.sxyz[2],p=h.sxyz[2];return j<p?-1:j>p?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,h,j,p,s,x,t,d,k){this.m00=c;this.m01=h;this.m02=j;this.m10=p;this.m11=s;this.m12=x;this.m20=t;this.m21=d;this.m22=k};c.M3.prototype.transform=function(c,h){h[0]=this.m00*c[0]+this.m01*c[1]+this.m02*c[2];h[1]=this.m10*c[0]+this.m11*c[1]+this.m12*c[2];h[2]=this.m20*c[0]+this.m21*c[1]+this.m22*c[2]};c.M3.prototype.rotX=function(c){var h=Math.cos(c);c=Math.sin(c);this.m00=1;this.m10=this.m02=this.m01=0;this.m11=h;this.m12=-c;this.m20=
0;this.m21=c;this.m22=h};c.M3.prototype.rotY=function(c){var h=Math.cos(c);c=Math.sin(c);this.m00=h;this.m01=0;this.m02=c;this.m10=0;this.m11=1;this.m12=0;this.m20=-c;this.m21=0;this.m22=h};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);
