lazar-gui 1.0.0
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- checksums.yaml +7 -0
- data/.gitignore +3 -0
- data/FAQ.md +29 -0
- data/Gemfile +7 -0
- data/README.md +15 -0
- data/VERSION +1 -0
- data/application.rb +317 -0
- data/bin/lazar-start +5 -0
- data/bin/lazar-start.sh +8 -0
- data/bin/lazar-stop +6 -0
- data/bin/lazar-stop.sh +52 -0
- data/config.ru +5 -0
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- data/lazar-gui.gemspec +29 -0
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- data/public/rect.png +0 -0
- data/public/stylesheets/jquery-ui.css +1186 -0
- data/test/lazarweb.rb +193 -0
- data/test/setup.rb +7 -0
- data/unicorn.rb +7 -0
- data/views/batch.haml +58 -0
- data/views/details.haml +24 -0
- data/views/error.haml +8 -0
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- data/views/neighbors.haml +104 -0
- data/views/predict.haml +175 -0
- data/views/prediction.haml +84 -0
- data/views/significant_fragments.haml +66 -0
- data/views/style.scss +70 -0
- data/views/validation.haml +16 -0
- metadata +373 -0
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135:1},yi={45:1},zi={69:1,80:1},Ai={11:1,117:1,121:1,123:1},Bi={7:1,8:1,117:1,121:1,123:1},Ci={8:1,10:1,117:1,121:1,123:1},Di={46:1,48:1,57:1,62:1,69:1,70:1,72:1,80:1,82:1},Ei={8:1,9:1,117:1,121:1,123:1},Fi={12:1,19:1,20:1,21:1,22:1,23:1,24:1,25:1,26:1,27:1,46:1,48:1,57:1,69:1,70:1,72:1,80:1,82:1},Gi={85:1,90:1,91:1,97:1,106:1,111:1,113:1,117:1},Hi={135:1};
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function t(a,b,c){var d=Qh[a];d&&!d.cZ?_=d.prototype:(!d&&(d=Qh[a]=function(){}),_=d.prototype=0>b?{}:new Qh[b],_.cM=c);for(var e=3;e<arguments.length;++e)arguments[e].prototype=_;d.cZ&&(_.cZ=d.cZ,d.cZ=null)}function x(){}t(1,-1,{});_.eQ=function(a){return this===a};_.gC=function(){return this.cZ};_.hC=function(){return Ii(this)};
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_.tS=function(){var a=this.cZ.e+vb,b;b=this.hC();var c,d,e;c=y(Ji,m,-1,8,1);d=(Ki(),Li);e=7;if(0<=b)for(;15<b;)c[e--]=d[b&15],b>>=4;else for(;0<e;)c[e--]=d[b&15],b>>=4;c[e]=d[b&15];b=c.slice(e,8);b=String.fromCharCode.apply(null,b);return a+b};_.toString=function(){return this.tS()};_.tM=x;function Mi(){Mi=x;Ni=new Oi}function Pi(a){for(var b,a=new Qi(a.k.n);a.c<a.e.Fe();)b=Ri(a),Si(b.ld(),ee,!1),Ti(a)}
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17
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function Ui(a,b,c){var a=a.o,d;try{d=new Vi(b,c.Qc(a),c.Tc(a),(c.Rc(a),c.Sc(a))),z(a.d,c,d)}catch(e){e=Wi(e);if(A(e,124))throw new Xi("dragHandle must implement HasMouseDownHandlers, HasMouseUpHandlers, HasMouseMoveHandlers and HasMouseOutHandlers to be draggable",e);throw e;}Si(b.ld(),Wb,!0);Si(c.ld(),de,!0);z(Ni,b,c)}function Yi(a,b){var c;c=Zi(Ni,b);var d;d=Zi(a.o.d,c);if(!d)throw new $i("dragHandle was not draggable");aj(d.c.b);aj(d.e.b);aj(d.d.b);Si(b.ld(),Wb,!1);Si(c.ld(),de,!1)}
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function bj(a){var b;a.p=!1;for(a=new Qi(a.k.n);a.c<a.e.Fe();)b=Ri(a),Si(b.ld(),ee,!1),Ti(a)}function cj(a,b){dj(a.k.n,b)?Si(b.ld(),ee,!1):a.p?(ej(a.k.n,b),Si(b.ld(),ee,!0)):(a.k.n.Oe(),ej(a.k.n,b))}function fj(a){this.i=a;this.k=new gj(this);this.o=new hj(this.k)}t(3,1,{});_.rc=function(){ij(this.k.f,"dragdrop-dragging")};_.sc=function(){jj(this.k.f,"dragdrop-dragging")};_.i=null;_.j=!1;_.k=null;_.n=0;_.o=null;_.p=!1;var Ni;function gj(a){this.n=new kj;this.e=a;this.b=a.i}t(4,1,{},gj);_.b=null;
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_.c=0;_.d=0;_.e=null;_.f=null;_.i=null;_.j=0;_.k=0;function lj(a,b,c){a.c.j=b;a.c.k=c;a.c.c=b-a.i;a.c.d=c-a.j;a.c.e.tc()}function mj(a,b){var c;c=nj(a.d,oj).b;b.b.ctrlKey||b.b.metaKey||Pi(a.c.e);cj(a.c.e,c)}function pj(a){a.c.i=null;a.c.e.sc();qj((rj(),sj(null)),a.b,0,0);var b=a.b.pb;tj=b;uj();vj=b;a.e=2}
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20
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function hj(a){this.d=new Oi;this.c=a;this.b=new wj;xj(this.b,yj(),zj());B(this.b,this,(Aj(),Aj(),Bj));B(this.b,this,(Cj(),Cj(),Dj));a=this.b.pb.style;a[ne]="alpha(opacity=0)";a.opacity=0;a.margin=0+(Ej(),dg);a.borderStyle=(Fj(),Kf);a[md]="blue"}t(5,1,{},hj);
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21
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_.uc=function(a){var b,c,d,e;c=a.i;d=Gj(a);e=Hj(a);b=Ij(a.b);if(!(3==this.e||2==this.e||1!=b)&&!oj)oj=c,this.c.f=nj(this.d,oj).b,!a.b.ctrlKey&&!a.b.metaKey&&-1==Jj(this.c.n,this.c.f)&&(Pi(this.c.e),cj(this.c.e,this.c.f)),Kj(new Yj),this.f=!0,a.b.preventDefault(),this.i=d,this.j=e,b=new Zj(oj,null),oj!=this.c.f&&(c=new Zj(this.c.f,null),this.i+=b.b-c.b,this.j+=b.e-c.e),0==this.c.e.n&&!a.b.ctrlKey&&!a.b.metaKey&&(this.c.j=d+b.b,this.c.k=e+b.e,pj(this),1!=this.e&&lj(this,this.c.j,this.c.k))};
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_.vc=function(a){var b,c,d;c=a.i;b=c.pb;d=$j(a,b);a=ak(a,b);if(3==this.e||2==this.e){if(c!=this.b)return;this.e=3}else if(this.f&&(bk(ck(d-this.i),ck(a-this.j))>=this.c.e.n?(dk(),-1!=Jj(this.c.n,this.c.f)||cj(this.c.e,this.c.f),c=new Zj(oj,null),this.c.j=this.i+c.b,this.c.k=this.j+c.e,d+=c.b,a+=c.e,pj(this)):ek.preventDefault()),1==this.e)return;ek.preventDefault();lj(this,d,a)};
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_.wc=function(a){var b,c,d,e;d=a.i;b=d.pb;e=$j(a,b);b=ak(a,b);if(1==Ij(a.b)&&(this.f=!1,oj))try{if(dk(),1==this.e)mj(this,a);else{d!=this.b&&(c=new Zj(d,null),e+=c.b,b+=c.e);try{lj(this,e,b),this.c.e.rc(),3!=this.e&&mj(this,a)}finally{var f=this.b.pb;tj&&f==tj&&(tj=null);uj();f===vj&&(vj=null);fk(this.b);this.e=1;this.c.f=null}}}finally{oj=null}};_.b=null;_.c=null;_.e=1;_.f=!1;_.i=0;_.j=0;var oj=null;function Yj(){}t(6,1,$h,Yj);_.xc=function(){dk()};
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24
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function Vi(a,b,c,d){this.b=a;this.c=b;this.d=d;this.e=c}t(7,1,{},Vi);_.b=null;_.c=null;_.d=null;_.e=null;t(8,1,{});t(10,8,{});t(9,10,{});_.b=null;t(11,1,{});_.tS=function(){return ua+this.b+Aa+this.e+va};function Zj(a,b){!a||a==(rj(),sj(null))?this.i=this.f=0:(this.f=a.gd()-gk(a.pb),this.i=a.hd()-(a.pb.scrollTop||0));!b||b==(rj(),sj(null))?this.d=this.c=0:(this.c=hk(b.pb)+ik(b.pb),this.d=jk(b.pb)+kk(b.pb));this.b=this.f-this.c;this.e=this.i-this.d}t(14,11,{},Zj);
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25
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_.tS=function(){return ua+this.b+Aa+this.e+va};_.b=0;_.c=0;_.d=0;_.e=0;_.f=0;_.i=0;function dk(){try{$wnd.getSelection().removeAllRanges()}catch(a){throw Error("unselect exception:\n"+a);}}function ik(a){try{var b=$doc.defaultView.getComputedStyle(a,null).getPropertyValue("border-left-width");return-1==b.indexOf(dg)?0:parseInt(b.substr(0,b.length-2))}catch(c){throw Error("getBorderLeft exception:\n"+c);}}
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26
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function kk(a){try{var b=$doc.defaultView.getComputedStyle(a,null).getPropertyValue("border-top-width");return-1==b.indexOf(dg)?0:parseInt(b.substr(0,b.length-2))}catch(c){throw Error("getBorderTop: "+c);}}function lk(a){try{return a.clientHeight}catch(b){throw Error("getClientHeight exception:\n"+b);}}function mk(a){try{return a.clientWidth}catch(b){throw Error("getClientWidth exception:\n"+b);}}function nk(a){a.q&&(a.w=a.r,a.p=null,a.q=!1,a.r=!1,a.s&&(a.s.Ec(),a.s=null),a.yc())}
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27
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function ok(a,b){var c=pk();nk(a);a.q=!0;a.r=!1;a.o=b;a.v=c;a.p=null;++a.t;qk(a.n,pk())}function rk(a,b){var c,d;c=a.t;d=b>=a.v+a.o;if(a.r&&!d)return d=(b-a.v)/a.o,a.Bc((1+Math.cos(3.141592653589793+3.141592653589793*d))/2),a.q&&a.t==c;if(!a.r&&b>=a.v&&(a.r=!0,a.Ac(),!(a.q&&a.t==c)))return!1;return d?(a.q=!1,a.r=!1,a.zc(),!1):!0}t(17,1,{});_.yc=function(){this.w&&this.zc()};_.zc=function(){this.Bc((1+Math.cos(6.283185307179586))/2)};_.Ac=function(){this.Bc((1+Math.cos(3.141592653589793))/2)};
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_.o=-1;_.p=null;_.q=!1;_.r=!1;_.s=null;_.t=-1;_.u=null;_.v=-1;_.w=!1;function qk(a,b){rk(a.b,b)?a.b.s=a.b.u.Dc(a.b.n,a.b.p):a.b.s=null}function sk(a){this.b=a}t(18,1,{},sk);_.Cc=function(a){qk(this,a)};_.b=null;t(19,1,{});t(20,1,bi);function tk(){tk=x;var a;(a=new uk)&&(a.Fc()||(a=new vk));wk=a}t(21,19,{});var wk=null;function xk(a,b){var c=C(function(){if(!b.b){var c=pk();a.Cc(c)}});$wnd.mozRequestAnimationFrame(c)}function uk(){}t(22,21,{},uk);_.Fc=function(){return!!$wnd.mozRequestAnimationFrame};
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_.Dc=function(a){var b;b=new yk;xk(a,b);return b};function yk(){}t(23,20,bi,yk);_.Ec=function(){this.b=!0};_.b=!1;function vk(){this.b=new kj;this.c=new zk(this)}t(24,21,{},vk);_.Fc=function(){return!0};_.Dc=function(a){a=new Ak(this,a);ej(this.b,a);1==this.b.d&&Bk(this.c,16);return a};function Ck(){Ck=x;Dk=new kj;var a=new Ek;Fk();Gk(Hk?Hk:Hk=new Ik,a)}function Jk(a){a.c?$wnd.clearInterval(a.d):$wnd.clearTimeout(a.d);dj(Dk,a)}
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30
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function Bk(a,b){if(0>b)throw new Kk("must be non-negative");a.c?$wnd.clearInterval(a.d):$wnd.clearTimeout(a.d);dj(Dk,a);a.c=!1;a.d=Lk(a,b);ej(Dk,a)}function Mk(a){return $wnd.setInterval(C(function(){a.Gc()}),100)}function Lk(a,b){return $wnd.setTimeout(C(function(){a.Gc()}),b)}t(26,1,{});_.Gc=function(){this.c||dj(Dk,this);this.Hc()};_.c=!1;_.d=0;var Dk;function zk(a){Ck();this.b=a}t(25,26,{},zk);
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31
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32
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t(32,33,{},Tk);function Uk(){this.b=kd}t(34,29,{},Uk);function Vk(){this.b=nd}t(35,29,{},Vk);function Wk(){this.b=sd}t(36,29,{},Wk);function Xk(){this.b=xd}t(37,29,{},Xk);function Yk(){this.b=Id}t(38,29,{},Yk);function Zk(){this.b=Jd}t(39,29,{},Zk);function $k(){this.b=Kd}t(40,29,{},$k);function al(){this.b=Ld}t(41,29,{},al);function bl(){this.b=Pd}t(42,29,{},bl);function cl(){this.b=Qd}t(43,29,{},cl);function dl(){this.b=Vd}t(44,29,{},dl);function fl(){this.b=Yd}t(45,29,{},fl);
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33
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function gl(){this.b=ue}t(46,29,{},gl);function hl(){this.b=Ce}t(47,29,{},hl);function il(){this.b=De}t(48,29,{},il);function jl(){this.b=Ee}t(49,29,{},jl);function kl(){this.b=Ie}t(50,29,{},kl);function ll(a){this.b=a.id}t(51,1,{4:1,5:1},ll);_.b=null;function ml(){this.b=Te}t(52,29,{},ml);function nl(){this.b=bf}t(53,29,{},nl);function ol(){this.b=cf}t(54,29,{},ol);function pl(){this.b=df}t(55,29,{},pl);function ql(){this.b=ef}t(56,29,{},ql);function rl(){this.b=gf}t(57,29,{},rl);
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34
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function sl(){this.b=jf}t(58,29,{},sl);function tl(){this.b=kf}t(59,29,{},tl);function ul(){this.b=mf}t(60,29,{},ul);function vl(){this.b=nf}t(61,29,{},vl);function wl(){this.b=pf}t(62,29,{},wl);function xl(){this.b=qf}t(63,29,{},xl);function yl(){this.b=wf}t(64,29,{},yl);function zl(){this.b=xf}t(65,29,{},zl);function Al(){this.b=Jf}t(66,29,{},Al);function Bl(){this.b=Mf}t(67,29,{},Bl);function Cl(){this.b=Vf}t(68,29,{},Cl);function Dl(){this.b=bg}t(69,29,{},Dl);t(70,33,{},function(a){this.b=a});
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function El(){this.b=cg}t(71,29,{},El);function Fl(){Fl=x;Gl=new Tk("aria-activedescendant")}var Gl;function Hl(){this.b=gg}t(73,29,{},Hl);function Il(){this.b=hg}t(74,29,{},Il);function Jl(){this.b=lg}t(75,29,{},Jl);
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36
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function Kl(){Kl=x;Ll=new Rk;Ml=new Qk;Nl=new Sk;Ol=new Uk;Pl=new Vk;Ql=new Wk;Rl=new Xk;Sl=new Yk;Tl=new Zk;Ul=new $k;Vl=new al;Wl=new bl;Xl=new cl;Yl=new dl;Zl=new fl;$l=new gl;am=new il;bm=new hl;cm=new jl;dm=new kl;em=new ml;fm=new nl;gm=new pl;hm=new ql;im=new ol;jm=new rl;km=new sl;lm=new tl;mm=new ul;nm=new wl;om=new yl;pm=new zl;qm=new xl;rm=new vl;sm=new Al;tm=new Bl;um=new Cl;vm=new Dl;wm=new El;xm=new Il;ym=new Hl;zm=new Jl;Am=new Bm;Cm=new Dm;Em=new Fm;Gm=new Hm;Im=new Jm;Km=new Lm;Mm=
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37
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38
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wf,om);z(F,Vf,um);z(F,gg,ym);z(F,xf,pm);z(F,Jf,sm);z(F,Mf,tm);z(F,bg,vm);z(F,cg,wm);z(F,hg,xm);z(F,qg,Em);z(F,rg,Am);z(F,sg,Cm);z(F,zg,Im);z(F,Ag,Km);z(F,xg,Gm);z(F,Dg,Mm);z(F,Fg,Om);z(F,Gg,Qm);z(F,Ig,Wm);z(F,Kg,Sm);z(F,Lg,Um);z(F,Qg,Ym);z(F,Rg,pn);z(F,Sg,rn);z(F,Tg,tn);z(F,$g,zn);z(F,ah,vn);z(F,bh,xn)}var Ml,Ll,Nl,Ol,Pl,Ql,Rl,Sl,Tl,Ul,Vl,Wl,Xl,Yl,Zl,$l,bm,am,cm,dm,em,fm,im,gm,hm,jm,km,lm,mm,rm,nm,qm,om,pm,sm,tm,um,vm,wm,ym,xm,zm,F,Em,Am,Cm,Gm,Im,Km,Mm,Om,Qm,Wm,Sm,Um,Ym,pn,rn,tn,zn,vn,xn;
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39
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function Fm(){this.b=qg}t(77,29,{},Fm);function Bm(){this.b=rg}t(78,29,{},Bm);function Dm(){this.b=sg}t(79,29,{},Dm);function Hm(){this.b=xg}t(80,29,{},Hm);function Jm(){this.b=zg}t(81,29,{},Jm);function Lm(){this.b=Ag}t(82,29,{},Lm);function Nm(){this.b=Dg}t(83,29,{},Nm);function Pm(){this.b=Fg}t(84,29,{},Pm);function Rm(){this.b=Gg}t(85,29,{},Rm);function Xm(){this.b=Ig}t(86,29,{},Xm);function Tm(){this.b=Kg}t(87,29,{},Tm);function Vm(){this.b=Lg}t(88,29,{},Vm);function Zm(){this.b=Qg}
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40
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t(89,29,{},Zm);function qn(){this.b=Rg}t(90,29,{},qn);function sn(){this.b=Sg}t(91,29,{},sn);function un(){this.b=Tg}t(92,29,{},un);function An(){this.b=$g}t(93,29,{},An);function wn(){this.b=ah}t(94,29,{},wn);function yn(){this.b=bh}t(95,29,{},yn);function Pk(){this.b=pk()}function pk(){return(new Date).getTime()}t(96,1,{},Pk);function Bn(a){var b,c,d;d=new Cn;for(c=a;c;)b=c.Ic(),c!=a&&(d.b.b+="Caused by: "),Dn(d,c.cZ.e),d.b.b+=nb,En(d.b,null==b?"(No exception detail)":b),d.b.b+=aa,c=c.f}
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41
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function Fn(a){var b,c,d;c=y(Gn,m,131,a.length,0);for(d=0,b=a.length;d<b;++d){if(!a[d])throw new Hn;c[d]=a[d]}}function In(a){var b;b=a.cZ.e;a=a.Ic();return null!=a?b+nb+a:b}t(101,1,{117:1,132:1});_.Ic=function(){return this.i};_.tS=function(){return In(this)};_.f=null;_.i=null;function Jn(a){Kn();this.i=a}t(100,101,ri,Jn);function $i(a){Kn();this.i=a}function Xi(a,b){Kn();this.f=b;this.i=a}t(99,100,vi,$i,Xi);
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42
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function Ln(a){Kn();this.c=a;this.b=l;var b,c,d;c=Mn(Nn(this.c)?this.c:null);d=y(Gn,m,131,c.length,0);for(a=0,b=d.length;a<b;++a)d[a]=new On(c[a]);Fn(d)}t(98,99,vi,Ln);
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43
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_.Ic=function(){if(null==this.d){this.e=null==this.c?Of:Nn(this.c)?null==this.c?null:this.c.name:A(this.c,1)?"String":Pn(this.c).e;this.b=this.b+nb+(Nn(this.c)?null==this.c?null:this.c.message:this.c+l);var a;if(Nn(this.c)){a=this.c;var b=l,c;for(c in a)if(c!=If&&"message"!=c&&"toString"!=c)try{b+="\n "+c+nb+a[c]}catch(d){}a=b}else a=l;this.d=ua+this.e+") "+a+this.b}return this.d};_.b=l;_.c=null;_.d=null;_.e=null;function Qn(a,b){return Rn(a)?a.eQ(b):a===b}function Pn(a){return Rn(a)?a.cZ:Sn}
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44
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function Tn(a){return Rn(a)?a.hC():Ii(a)}
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|
45
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function Un(){var a;Un=x;Vn=(a="\\u0000,\\u0001,\\u0002,\\u0003,\\u0004,\\u0005,\\u0006,\\u0007,\\b,\\t,\\n,\\u000B,\\f,\\r,\\u000E,\\u000F,\\u0010,\\u0011,\\u0012,\\u0013,\\u0014,\\u0015,\\u0016,\\u0017,\\u0018,\\u0019,\\u001A,\\u001B,\\u001C,\\u001D,\\u001E,\\u001F".split(","),a[34]='\\"',a[92]="\\\\",a[173]="\\u00ad",a[1536]="\\u0600",a[1537]="\\u0601",a[1538]="\\u0602",a[1539]="\\u0603",a[1757]="\\u06dd",a[1807]="\\u070f",a[6068]="\\u17b4",a[6069]="\\u17b5",a[8203]="\\u200b",a[8204]="\\u200c",
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46
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t(158,157,Ci,tp);function vp(){Jo.call(this,ec,1)}t(159,157,Ci,vp);function xp(){Jo.call(this,gc,2)}t(160,157,Ci,xp);function zp(){Jo.call(this,zc,3)}t(161,157,Ci,zp);function Ej(){Ej=x;Cp=new Dp;Ep=new Fp;Gp=new Hp;Ip=new Jp;Kp=new Lp;Mp=new Np;Op=new Pp;Qp=new Rp;Sp=new Tp;Up=H(Vp,m,11,[Cp,Ep,Gp,Ip,Kp,Mp,Op,Qp,Sp])}t(162,141,Ai);var Up,Qp,Gp,Ip,Op,Sp,Mp,Ep,Kp,Cp;function Dp(){Jo.call(this,"PX",0)}t(163,162,Ai,Dp);function Fp(){Jo.call(this,"PCT",1)}t(164,162,Ai,Fp);
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61
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function Hp(){Jo.call(this,"EM",2)}t(165,162,Ai,Hp);function Jp(){Jo.call(this,"EX",3)}t(166,162,Ai,Jp);function Lp(){Jo.call(this,"PT",4)}t(167,162,Ai,Lp);function Np(){Jo.call(this,"PC",5)}t(168,162,Ai,Np);function Pp(){Jo.call(this,"IN",6)}t(169,162,Ai,Pp);function Rp(){Jo.call(this,"CM",7)}t(170,162,Ai,Rp);function Tp(){Jo.call(this,"MM",8)}t(171,162,Ai,Tp);function Wp(){Wp=x;Xp=[];Yp=[];Zp=[]}var Xp,Yp,Zp;function $p(){$p=x;aq=new bq}
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62
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63
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64
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function Hj(a){var b;return(b=a.c)?ak(a,b):a.b.clientY||0}t(189,190,yi);function pq(){pq=x;qq=new hq(Cd,new rq)}function rq(){}t(188,189,yi,rq);_.Kc=function(a){a.Pc(this)};_.Nc=function(){return qq};var qq;function sq(){sq=x;tq=new hq(Md,new uq)}function uq(){}t(191,184,{},uq);_.Kc=function(){this.b.preventDefault();this.b.stopPropagation()};_.Nc=function(){return tq};var tq;t(194,1,{83:1});_.hC=function(){return this.d};_.tS=function(){return"Event type"};var vq=_.d=0;
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function Ik(){this.d=++vq}t(193,194,Zh,Ik);function hq(a,b){this.d=++vq;this.b=b;!eq&&(eq=new wq);eq.b[a]=this;this.c=a}t(192,193,Zh,hq);_.b=null;_.c=null;function xq(){xq=x;yq=new hq(Od,new zq)}function zq(){}t(195,189,yi,zq);
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66
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_.Kc=function(a){var b=a.b,a=!a.b.I.d,c,d;if(a!=b.I.d)if(b.kb){if(a){if(b.O!=(Aq(),Bq))a=Cq(b.pb),c=new Dq(uo(b.pb,Sf),uo(b.pb,Rf)),d=new Dq(uo(b.T.jb.pb,Sf),uo(b.T.jb.pb,Rf)),b.F.c=a.c-(c.c-d.c),b.F.b=a.b-(c.b-d.b);Eq(b.I,!0);a=uo(b.T.jb.pb,Sf);Fq(b,new Dq(a,Gq(b.T.jb).b));b.J&&b.O!=Bq&&Hq(b.r,b)}else Eq(b.I,!1),b.O!=(Aq(),Bq)?Fq(b,new Dq(b.F.c,b.F.b)):Iq(b,Cq(b.r.pb)),b.J&&b.O!=Bq&&Jq(b.r,b);Kq(b.T.jb)}else Eq(b.I,!0)};_.Nc=function(){return yq};var yq;t(196,184,{});
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67
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function Lq(){Lq=x;Mq=new hq(fe,new Nq)}function Nq(){}t(197,196,{},Nq);_.Kc=function(){this.b.stopPropagation();this.b.preventDefault()};_.Nc=function(){return Mq};var Mq;function Oq(){Oq=x;Pq=new hq(ge,new Qq)}function Qq(){}t(198,196,{},Qq);_.Kc=function(){this.b.stopPropagation();this.b.preventDefault()};_.Nc=function(){return Pq};var Pq;function Rq(){Rq=x;Sq=new hq(je,new Tq)}function Tq(){}t(199,196,{},Tq);_.Kc=function(){this.b.stopPropagation();this.b.preventDefault()};_.Nc=function(){return Sq};
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68
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var Sq;function Uq(){Uq=x;Vq=new hq(ke,new Wq)}function Wq(){}t(200,196,{},Wq);_.Kc=function(a){var b,c,d,e;this.b.stopPropagation();this.b.preventDefault();d=(this.b.dataTransfer||null).files;e=0;a:for(;e<d.length;++e){if(0<a.b.e&&e>=a.b.e)break a;b=d[e];c=new FileReader;Xq(c,a.b.c);1==a.b.d&&c.readAsText(b)}0==d.length&&(b=(this.b.dataTransfer||null).getData(Og),a.b.c.b.b.f.pb[dh]=null!=b?b:l)};_.Nc=function(){return Vq};var Vq;function Yq(){Yq=x;Zq=new hq(pe,new $q)}function $q(){}
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70
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function hr(){}t(203,184,{},hr);_.Kc=function(a){a.b.b&&(a.b.c.b=null,ir(a.b.b,a.b.c))};_.Nc=function(){return gr};var gr;function jr(){jr=x;kr=new hq(Ae,new lr)}function lr(){}t(204,184,{},lr);_.Kc=function(){this.b.preventDefault()};_.Nc=function(){return kr};var kr;t(206,184,{});t(205,206,{});function mr(){mr=x;nr=new hq(Ye,new or)}function or(){}t(207,205,{},or);
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71
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_.Kc=function(a){var b,c;c=this.b.keyCode||0;0<=c&&c<(pr(),qr).length&&-999!=(pr(),qr)[c]&&(c=(pr(),qr)[c]);b=new rr(null,c,null);if(this.b.ctrlKey||this.b.shiftKey||this.b.metaKey||this.b.altKey)this.b.ctrlKey&&(b.f|=2),this.b.altKey&&(b.f|=8),this.b.metaKey&&(b.f|=4),this.b.shiftKey&&(b.f|=1);a:{var a=a.b.d,d=c,e;a.lb=!1;if(!a.A){a.lb=!0;a.K=l;c=0;e=8==b.f;b=0!=(b.f&2);switch(d){case 99:case 67:b?sr(tr(a)):c=301;break;case 118:case 86:b&&a.wb&&(b=a.v,d=(!a.xb&&(a.xb=new ur(a)),a.xb),b.b=d,vr(),
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72
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wr(b));break;case 110:case 78:c=401;break;case 111:case 79:c=501;break;case 115:case 83:c=601;break;case 112:case 80:c=1101;break;case 102:case 70:c=701;break;case 108:case 76:c=801;break;case 98:case 66:c=901;break;case 105:case 73:c=1001;break;case 120:case 88:a.Sb&&(xr(a,vo((yr(),zr).hc.b.pb,dh)),c=1201,a.e=18);break;case 104:case 72:a.lb=!0;a.K=Xb;c=1300;break;case 114:case 82:a.lb=!0;a.K=sc;c=1301;break;case 116:case 84:701==a.d?(c=236,a.lb=!0,a.K=La):801==a.d?(c=237,a.lb=!0,a.K=Ka):(c=233,a.lb=
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73
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!0,a.K="-tBu");break;case 121:case 89:b?c=111:(c=234,a.lb=!0,a.K=Sa);break;case 122:case 90:b?c=110:(c=239,a.lb=!0,a.K=Va);break;case 97:case 65:c=235;a.lb=!0;a.K="-COOH";break;case 101:case 69:c=238;a.lb=!0;a.K=Fa;break;case 117:case 85:c=110;break;case 113:case 81:c=242;a.lb=!0;a.K=Ga;break;case 103:a=!0;break a;case 27:c=202;break;case 45:701==a.d?(c=254,a.lb=!0,a.K="-F"):801==a.d?(c=255,a.lb=!0,a.K="-Cl"):901==a.d?(c=256,a.lb=!0,a.K="-Br"):1001==a.d?(c=257,a.lb=!0,a.K="-I"):501==a.d?(c=259,a.lb=
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74
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!0,a.K="-OH"):401==a.d?(c=258,a.lb=!0,a.K="-NH2"):c=202;break;case 61:501==a.d?(c=250,a.lb=!0,a.K="=O"):c=203;break;case 35:c=204;break;case 48:105==a.d?Ar(a,0):e?(c=223,a.lb=!0,a.K="-3-Furyl"):(c=221,a.lb=!0,a.K="-Furyl");break;case 49:105==a.d?Ar(a,1):1301==a.d?(a.lb=!0,a.K="-R1",c=1302):c=209;break;case 50:105==a.d&&Ar(a,2);1301==a.d&&(a.lb=!0,a.K="-R2",c=1303);break;case 51:105==a.d?Ar(a,3):1301==a.d?(a.lb=!0,a.K="-R3",c=1304):c=206;break;case 52:105==a.d?Ar(a,4):c=207;break;case 53:105==a.d?
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|
75
|
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Ar(a,5):c=208;break;case 54:105==a.d?Ar(a,6):c=210;break;case 55:105==a.d?Ar(a,7):c=211;break;case 56:105==a.d?Ar(a,8):c=212;break;case 57:105==a.d?Ar(a,9):(a.lb=!0,a.K="9 ring",c=229);break;case 100:case 68:case 8:case 127:c=104;break;case 32:c=205;break;case 109:case 77:case 1002:c=151;break;case 119:case 87:case 1003:c=152}Br(a,c)}a=!0}a&&this.b.preventDefault()};_.Nc=function(){return nr};var nr;function Cr(){Cr=x;Dr=new hq(zf,new Er)}function Er(){}t(208,189,yi,Er);_.Kc=function(a){a.uc(this)};
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76
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77
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95
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96
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97
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98
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100
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function Wu(){}t(275,185,{},Wu);_.Kc=function(a){a.$c(this);Vu.d=!1};_.Lc=function(){return Tu};_.Mc=function(){Xu(this)};_.b=!1;_.c=!1;_.d=!1;var Tu=_.e=null,Vu=null;function Yu(){Yu=x;Zu=new $u;av()||(Zu=null)}var Zu=null;function Ek(){}t(277,1,{},Ek);_.Uc=function(){for(;0<(Ck(),Dk).d;)Jk(Hu(Dk,0))};function Gk(a,b){return ps((!bv&&(bv=new cv),bv),a,b)}function dv(a){Fk();ev||(fv(),ev=!0);return Gk((!ks&&(ks=new Ik),ks),a)}function Fk(){gv||(hv(),gv=!0)}
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function iv(){var a;gv&&(a=new jv,bv&&ws(bv,a));return null}var gv=!1,bv=null,kv=0,lv=0,ev=!1;function mv(){mv=x;nv=new Ik}function jv(){mv()}t(279,185,{},jv);_.Kc=function(){null.gg()};_.Lc=function(){return nv};var nv;function cv(){Cs.call(this,null)}t(281,226,Th,cv);
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function Pu(a){switch(a){case od:return 4096;case wd:return 1024;case Cd:return 1;case Od:return 2;case pe:return 2048;case Ye:return 128;case Ze:return 256;case $e:return 512;case ff:return 32768;case "losecapture":return 8192;case zf:return 4;case Af:return 64;case Bf:return 32;case Cf:return 16;case Df:return 8;case "scroll":return 16384;case me:return 65536;case Pb:case Ef:return 131072;case Md:return 262144;case Zf:return 524288;case Yg:return 1048576;case Xg:return 2097152;case Wg:return 4194304;
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case Vg:return 8388608;case Ae:return 16777216;case ye:return 33554432;case ze:return 67108864;default:return-1}}function uj(){ov||(pv(),qv(),ov=!0)}var ov=!1;function rv(a,b){for(var c=0,d=a.firstChild;d;){if(1==d.nodeType){if(b==c)return d;++c}d=d.nextSibling}return null}function sv(a){for(var b=0,a=a.firstChild;a;)1==a.nodeType&&++b,a=a.nextSibling;return b}
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function pv(){tv=C(function(a){var b;var c=Uu,d,e,f;Tu&&c&&uv(c.b.e,Tu)?(b=Vu.b,d=Vu.c,e=Vu.d,f=Vu.e,Xu(Vu),Vu.e=a,ws(c,Vu),c=!(Vu.b&&!Vu.c),Vu.b=b,Vu.c=d,Vu.d=e,Vu.e=f,b=c):b=!0;!b&&a&&(a.cancelBubble=!0,a.preventDefault());return!b?(a.stopPropagation(),a.preventDefault(),!1):!0});vv=C(function(a){for(var b,c=this;c&&!(b=c.__listener);)c=c.parentNode;c&&1!=c.nodeType&&(c=null);b&&!Nn(b)&&A(b,57)&&Ou(a,c,b)});wv=C(function(a){a.preventDefault();vv.call(this,a)});xv=C(function(a){this.__gwtLastUnhandledEvent=
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a.type;vv.call(this,a)});yv=C(function(a){if(tv(a)){var b=vj;b&&b.__listener&&!Nn(b.__listener)&&A(b.__listener,57)&&(Ou(a,b,b.__listener),a.stopPropagation())}});$wnd.addEventListener(Cd,yv,!0);$wnd.addEventListener(Od,yv,!0);$wnd.addEventListener(zf,yv,!0);$wnd.addEventListener(Df,yv,!0);$wnd.addEventListener(Af,yv,!0);$wnd.addEventListener(Cf,yv,!0);$wnd.addEventListener(Bf,yv,!0);$wnd.addEventListener(Ef,yv,!0);$wnd.addEventListener(Ye,tv,!0);$wnd.addEventListener($e,tv,!0);$wnd.addEventListener(Ze,
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tv,!0);$wnd.addEventListener(Yg,yv,!0);$wnd.addEventListener(Xg,yv,!0);$wnd.addEventListener(Wg,yv,!0);$wnd.addEventListener(Vg,yv,!0);$wnd.addEventListener(Ae,yv,!0);$wnd.addEventListener(ye,yv,!0);$wnd.addEventListener(ze,yv,!0)}function zv(a,b,c){for(var d=0,e=a.firstChild,f=null;e;){if(1==e.nodeType){if(d==c){f=e;break}++d}e=e.nextSibling}a.insertBefore(b,f)}
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function Av(a,b){var c;uj();if(G(ie,b)&&(c=Eo(),-1!=c&&1009E3>=c))he==he&&(a.ondragexit=wv);else switch(b){case "drag":a.ondrag=vv;break;case fe:a.ondragend=vv;break;case ge:a.ondragenter=wv;break;case ie:a.ondragleave=vv;break;case je:a.ondragover=wv;break;case "dragstart":a.ondragstart=vv;break;case ke:a.ondrop=vv;break;case "canplaythrough":case "ended":case "progress":a.removeEventListener(b,vv,!1);a.addEventListener(b,vv,!1);break;default:throw"Trying to sink unknown event type "+b;}}
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var vj=null,tv=null,yv=null,wv=null,vv=null,xv=null;function qv(){$wnd.addEventListener(Bf,C(function(a){var b=vj;if(b&&!a.relatedTarget&&Le==a.target.tagName.toLowerCase()){var c=$doc.createEvent("MouseEvents");c.initMouseEvent(Df,!0,!0,$wnd,0,a.screenX,a.screenY,a.clientX,a.clientY,a.ctrlKey,a.altKey,a.shiftKey,a.metaKey,a.button,null);b.dispatchEvent(c)}}),!0);$wnd.addEventListener(Pb,yv,!0)}
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function Bv(a,b){uj();var c=(a.__eventBits||0)^b;a.__eventBits=b;c&&(c&1&&(a.onclick=b&1?vv:null),c&2&&(a.ondblclick=b&2?vv:null),c&4&&(a.onmousedown=b&4?vv:null),c&8&&(a.onmouseup=b&8?vv:null),c&16&&(a.onmouseover=b&16?vv:null),c&32&&(a.onmouseout=b&32?vv:null),c&64&&(a.onmousemove=b&64?vv:null),c&128&&(a.onkeydown=b&128?vv:null),c&256&&(a.onkeypress=b&256?vv:null),c&512&&(a.onkeyup=b&512?vv:null),c&1024&&(a.onchange=b&1024?vv:null),c&2048&&(a.onfocus=b&2048?vv:null),c&4096&&(a.onblur=b&4096?vv:
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null),c&8192&&(a.onlosecapture=b&8192?vv:null),c&16384&&(a.onscroll=b&16384?vv:null),c&32768&&(a.onload=b&32768?xv:null),c&65536&&(a.onerror=b&65536?vv:null),c&131072&&(a.onmousewheel=b&131072?vv:null),c&262144&&(a.oncontextmenu=b&262144?vv:null),c&524288&&(a.onpaste=b&524288?vv:null),c&1048576&&(a.ontouchstart=b&1048576?vv:null),c&2097152&&(a.ontouchmove=b&2097152?vv:null),c&4194304&&(a.ontouchend=b&4194304?vv:null),c&8388608&&(a.ontouchcancel=b&8388608?vv:null),c&16777216&&(a.ongesturestart=b&16777216?
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vv:null),c&33554432&&(a.ongesturechange=b&33554432?vv:null),c&67108864&&(a.ongestureend=b&67108864?vv:null));b&131072&&a.addEventListener(Pb,vv,!1)}function Cv(){var a;Cv=x;Dv=(a=$doc,G(a.compatMode,Gb)?a.documentElement:a.body)}var Dv;function Ev(){this.c=new kj}function Fv(a){a=a[Xc];return null==a?-1:a}t(286,1,{},Ev);_.b=null;function Gv(a,b){this.b=a;this.c=b}t(287,1,{},Gv);_.b=0;_.c=null;t(288,1,Th);_.ed=function(a){return decodeURI(a.replace("%23",la))};_.Yc=function(a){ws(this.b,a)};
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function hv(){var a=$wnd.onbeforeunload,b=$wnd.onunload;$wnd.onbeforeunload=function(b){var d;try{d=C(iv)()}finally{b=a&&a(b)}if(null!=d)return d;if(null!=b)return b};$wnd.onunload=C(function(a){try{gv&&fs((!bv&&(bv=new cv),bv),null,!1)}finally{b&&b(a),$wnd.onresize=null,$wnd.onscroll=null,$wnd.onbeforeunload=null,$wnd.onunload=null}})}
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function fv(){var a=$wnd.onresize;$wnd.onresize=C(function(b){try{var c,d;if(ev&&(d=yj(),c=zj(),lv!=d||kv!=c))lv=d,kv=c,js((!bv&&(bv=new cv),bv))}finally{a&&a(b)}})}function jj(a,b){Si(a.ld(),b,!0)}function ij(a,b){Si(a.ld(),b,!1)}function Iv(a,b){a.pb.style[Je]=b}function xj(a,b,c){0<=b&&a.qd(b+dg);0<=c&&a.od(c+dg)}function Jv(a){var b,a=vo(a,yd);b=oo(a,po(32));return 0<=b?a.substr(0,b-0):a}
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function Si(a,b,c){if(!a)throw new $i(oc);b=no(b);if(0==b.length)throw new Kk(Mc);if(c){var d;d=no(b);b=a.className;-1==xo(b,d)&&(0<b.length?a.className=b+ba+d:a.className=d)}else{var e,f,c=no(b);f=a.className;e=xo(f,c);-1!=e&&(b=no(f.substr(0,e-0)),c=no(Kv(f,e+c.length)),0==b.length?d=c:0==c.length?d=b:d=b+ba+c,a.className=d)}}function Lv(a,b){a.style.display=b?l:Kf;a.setAttribute("aria-hidden",""+!b)}t(296,1,zi);_.gd=function(){return hk(this.pb)};_.hd=function(){return jk(this.pb)};
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_.jd=function(){return uo(this.pb,Rf)};_.kd=function(){return uo(this.pb,Sf)};_.ld=function(){return this.pb};_.md=function(){return this.pb.style.display!=Kf};_.nd=function(){throw new Mv;};_.od=function(a){Iv(this,a)};_.pd=function(a){Lv(this.pb,a)};_.qd=function(a){this.pb.style[ih]=a};_.tS=function(){var a;if(this.pb){var b=this.pb;a=b.ownerDocument;b=b.cloneNode(!0);a=a.createElement("DIV");a.appendChild(b);outer=a.innerHTML;b.innerHTML=l;a=outer}else a="(null handle)";return a};_.pb=null;
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function Nv(a,b,c){Av(a.pb,c.c);ps(!a.mb?a.mb=new Cs(a):a.mb,c,b)}function B(a,b,c){var d;d=Pu(c.c);-1==d?Av(a.pb,c.c):-1==a.lb?Bv(a.pb,d|(a.pb.__eventBits||0)):a.lb|=d;return ps(!a.mb?a.mb=new Cs(a):a.mb,c,b)}function Ov(a,b,c){return ps(!a.mb?a.mb=new Cs(a):a.mb,c,b)}
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function Pv(a){var b;if(a.td())throw new Qv("Should only call onAttach when the widget is detached from the browser's document");a.kb=!0;a.pb.__listener=a;b=a.lb;a.lb=-1;0<b&&(-1==a.lb?Bv(a.pb,b|(a.pb.__eventBits||0)):a.lb|=b);a.rd();a.wd()}function Rv(a,b){var c;switch(Pu(b.type)){case 16:case 32:if(c=(c=b.relatedTarget)?c:null,c&&Fo(a.pb,c))return}c=a.pb;var d,e,f;if(eq&&(f=eq.b[b.type]))d=f.b.b,e=f.b.c,f.b.b=b,f.b.c=c,a.mb&&ws(a.mb,f.b),f.b.b=d,f.b.c=e}
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function Sv(a){if(!a.td())throw new Qv("Should only call onDetach when the widget is attached to the browser's document");try{a.xd()}finally{try{a.sd()}finally{a.pb.__listener=null,a.kb=!1}}}function fk(a){if(a.ob)if(A(a.ob,70))a.ob.yd(a);else{if(a.ob)throw new Qv("This widget's parent does not implement HasWidgets");}else if(rj(),uv(Tv.b,a)){rj();try{a.vd()}finally{Zi(Tv.b,a)}}}
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function Uv(a,b){var c;c=a.ob;if(b){if(c)throw new Qv("Cannot set a new parent without first clearing the old parent");a.ob=b;b.td()&&a.ud()}else try{c&&c.td()&&a.vd()}finally{a.ob=null}}t(295,296,wi);_.rd=function(){};_.sd=function(){};_.Yc=function(a){this.mb&&ws(this.mb,a)};_.td=function(){return this.kb};_.ud=function(){Pv(this)};_.cd=function(a){Rv(this,a)};_.vd=function(){Sv(this)};_.wd=function(){};_.xd=function(){};_.kb=!1;_.lb=0;_.mb=null;_.nb=null;_.ob=null;
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function Vv(a){for(a=new Wv(a);a.b.b<a.b.c.d-1;)Xv(a.b),Yv(a.b)}t(294,295,ni);_.rd=function(){Zv(this,($v(),aw))};_.sd=function(){Zv(this,($v(),bw))};function cw(a,b,c){fk(b);var d=a.q;dw(d,b,d.d);d=(Mu(),Nu(b.pb));c.appendChild(d);Uv(b,a)}function ew(a,b,c,d,e){var f;if(0>d||d>a.q.d)throw new fw;b.ob==a&&(f=a.zd(b),f<d&&--d);fk(b);dw(a.q,b,d);e?(e=b.pb,zv(c,(Mu(),Nu(e)),d)):(e=(Mu(),Nu(b.pb)),c.appendChild(e));Uv(b,a)}
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function gw(a,b){var c;if(b.ob!=a)return!1;try{Uv(b,null)}finally{c=b.pb;zo(c).removeChild(c);c=a.q;var d;d=hw(c,b);if(-1==d)throw new iw;if(0>d||d>=c.d)throw new fw;for(--c.d;d<c.d;++d)bt(c.b,d,c.b[d+1]);bt(c.b,c.d,null)}return!0}t(293,294,ni);_.zd=function(a){return hw(this.q,a)};_.Ad=function(a,b,c,d){ew(this,a,b,c,d)};_.Bd=function(){return new jw(this.q)};_.yd=function(a){return gw(this,a)};function qj(a,b,c,d){var e;fk(b);e=a.q.d;a.Ed(b,c,d);a.Ad(b,a.pb,e,!0)}
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function kw(a,b){var c;(c=gw(a,b))&&lw(b.pb);return c}function mw(a,b,c,d){if(b.ob!=a)throw new Kk("Widget must be a child of this panel.");a.Ed(b,c,d)}function nw(a,b,c){a=a.pb;-1==b&&-1==c?lw(a):(a.style[ag]=Zc,a.style[af]=b+dg,a.style[Ug]=c+dg)}function ow(){var a=$doc.createElement(Xd);this.q=new pw(this);this.pb=a;this.pb.style[ag]="relative";this.pb.style[Xf]=Ke}function lw(a){a.style[af]=l;a.style[Ug]=l;a.style[ag]=l}t(292,293,ni,ow);_.Cd=function(a){cw(this,a,this.pb)};
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_.jd=function(){return uo(this.pb,Rf)};_.kd=function(){return uo(this.pb,Sf)};_.ld=function(){return Cw?yo(this.pb):zo(yo(this.pb))};_.Id=function(){this.Jd(!1)};_.Jd=function(a){xw(this,a)};_.md=function(){return!G(Ke,this.pb.style[fh])};_.dd=function(){return!0};_.$c=function(){};_.xd=function(){this.hb&&yw(this.gb,!1,!0)};_.od=function(a){this.X=a;zw(this);0==a.length&&(this.X=null)};_.Kd=function(a,b){Aw(this,a,b)};_.pd=function(a){this.pb.style[fh]=a?gh:Ke};_.Hd=function(a){sw(this,a);zw(this)};
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function Dw(a,b){var c;tw.call(this);this.$=new Ew;this.U=(Fw(),Gw);this.gb=new Hw(this);c=this.pb;var d;d=$doc.createElement(Xd);Cw&&(wo(d,"<div></div>"),go((co(),eo),new Iw(d)));c.appendChild(d);this.Kd(0,0);(Cw?yo(this.pb):zo(yo(this.pb)))[yd]="gwt-PopupPanel";(Cw?yo(yo(this.pb)):yo(this.pb))[yd]=$f;this.W=this.V=a;this.db=!1;c=H(gt,m,1,[b+"Top",b+"Middle",b+"Bottom"]);this.T=new Jw(c);this.T.ld()[yd]=l;c=Cw?yo(this.pb):zo(yo(this.pb));d="gwt-DecoratedPopupPanel";if(!c)throw new $i(oc);d=no(d);
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if(0==d.length)throw new Kk(Mc);var e=c.className.split(/\s+/);if(e){var f=e[0],g=f.length;e[0]=d;for(var j=1,h=e.length;j<h;j++){var n=e[j];n.length>g&&n.charAt(g)==Ba&&0==n.indexOf(f)&&(e[j]=d+n.substring(g))}c.className=e.join(ba)}sw(this,this.T);zw(this);Si(Cw?yo(yo(this.pb)):yo(this.pb),$f,!1);Si(this.T.c,b+"Content",!0)}t(298,299,ni);_.rd=function(){Pv(this.T)};_.sd=function(){Sv(this.T)};_.Gd=function(){return this.T.jb};_.Bd=function(){return new uw(this.T)};_.yd=function(a){return this.T.yd(a)};
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function oD(a,b){var c,d;for(d=b;d<a.j;)if(a.f){c=rD(a.o,d,a.o.length);if(c<=a.i&&pD(a,c))break;d+=65536<=c?2:1}else{c=a.o.charCodeAt(d);if(c<=a.i&&0<=oo(a.d,po(c)))break;++d}a.n&&b==d&&(a.f?(c=rD(a.o,d,a.o.length),c<=a.i&&pD(a,c)&&(d+=65536<=c?2:1)):(c=a.o.charCodeAt(d),c<=a.i&&0<=oo(a.d,po(c))&&++d));return d}
|
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262
|
+
function nD(a,b){var c,d;if(null==a.d)throw new Hn;for(d=b;!a.n&&d<a.j;)if(a.f){c=rD(a.o,d,a.o.length);if(c>a.i||!pD(a,c))break;d+=65536<=c?2:1}else{c=a.o.charCodeAt(d);if(c>a.i||0>oo(a.d,po(c)))break;++d}return d}function sD(a){tD.call(this,a," \t\n\r\u000c",!1)}function uD(a){tD.call(this,a,za,!1)}
|
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263
|
+
function tD(a,b,c){this.b=0;this.k=-1;this.e=!1;this.o=a;this.j=a.length;this.d=b;this.n=c;var d;if(null==this.d)this.i=0;else{for(c=b=d=0;c<this.d.length;c+=65536<=a?2:1)a=this.d.charCodeAt(c),55296<=a&&57343>=a&&(a=rD(this.d,c,this.d.length),this.f=!0),d<a&&(d=a),++b;this.i=d;if(this.f){this.c=y(I,s,-1,b,1);for(c=0,d=0;c<b;++c,d+=65536<=a?2:1)a=rD(this.d,d,this.d.length),this.c[c]=a}}}t(457,1,{},sD,uD,tD);_.b=0;_.c=null;_.d=null;_.e=!1;_.f=!1;_.i=0;_.j=0;_.k=0;_.n=!1;_.o=null;
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264
|
+
function vD(a,b){var c,d,e,f,g;c=l;if(null!=b){d=0;for(f=0,g=b.length;f<g;++f){e=b[f];if(A(e,1)&&(e=Wn(e),!(Un(),!/[^,:{}\[\]0-9.\-+Eaeflnr-u \n\r\t]/.test(e.replace(/"(\\.|[^"\\])*"/g,l)))))return;c+=e;d<b.length-1&&(c+=za);++d}}typeof a==ve?($wnd.alert("A JavaScript function name is expected, not a the function itself"),c=$wnd.eval(Sc+c+Vc),a.apply(c)):(evalString=a+ua+c+");",$wnd.eval(evalString))}
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265
|
+
function wD(a){var b;if(null==a||0==a.length){try{$wnd.console.log('JSME installation warning: invalid size or not specified size of DOM element: "'+a+'", Using "100%".')}catch(c){}return eb}b=a.charCodeAt(a.length-1);return null!=String.fromCharCode(b).match(/\d/)||46==b?a+dg:a}function jt(a){var a=new xD(a),b,c,d,e,f;b=$doc.getElementsByTagName(Xd);f=b.length;a.d=[];for(d=0;d<f;++d)e=b[d],c=e.getAttribute(Fd)||l,c==a.b&&(c=a.d,c[c.length]=e);for(a.c=0;yD(a););return a.c}
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266
|
+
function zD(){zD=x;AD=H(gt,m,1,["Copyright (c) 2013, Novartis Institutes for BioMedical Research Inc. and Bruno Bienfait.","All rights reserved."]);BD=(VA(),YA);CD=jB(BD);DD=y(ED,m,89,23,0);FD=y(gt,m,1,23,0);GD=y(ED,m,89,7,0);HD=null!=(LC(),MC[Ue]);ID=y(JD,m,93,100,0);KD=y(LD,m,94,100,0)}function MD(a){var b;if(a.Gb)b=ND(a,1)+tb+ND(a,2)+tb+ND(a,3);else if(b=ND(a,0),0<b.length){var c=new OD(a.$);ej(a.ab.b,c)}return b}
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267
|
+
function PD(a,b){var c,d;c=b.b;if(G(c,(QD(),RD).c))sr(SD(a));else if(G(c,TD.c))sr(tr(a));else if(G(c,UD.c))a.wb&&(c=a.v,d=(!a.xb&&(a.xb=new ur(a)),a.xb),c.b=d,vr(),wr(c));else if(G(c,pg)){7!=a.P&&(a.Q=nh);d=b.d;d=$t(d,mh);c=Pt(d,a.Q);var e=!Nt(c,nh)?vt(c):c;!Nt(e,th)&&VD(a.$,N(c));WD(a);a.nb=!0;XD(a);a.P=7;a.Q=d}else G(c,wg)||(G(c,le)?YD(a):ZD(a,c))}
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268
|
+
function $D(a,b,c,d){var e,f,g,j,h,n,o,q,r;if(!a.rb&&(j=c-b+1,!(0>=j||b>a.vb||c>a.vb))){h=a.C;e=y(aE,m,-1,4,1);o=y(aE,m,-1,99,1);g=r=q=0;for(f=b;f<=c;++f)bE(a.gb[f],e),q+=e[2],r+=e[3],e[3]>g&&(g=e[3]),o[f]=e[2],2==d&&(o[f]=e[3]);a.A&&(q+=25*(j+1),r+=25*(j+1),g+=25);(0==a.D.c||0==a.D.b)&&(a.D=iA(a));0==a.D.c&&(a.D.c=400);0==a.D.b&&(a.D.b=300);n=f=1;e=a.D.c;j=a.D.b;a.A||(e-=a.Z,j-=3*a.Z);1==d||3==d?e=~~((e-48)/2):2==d&&(j=~~(j/2));q>=e&&(f=e/q);g>=j&&(n=j/g);g=0;a.A&&(a.C=f<n?f:n,g=25*e/q,2==d&&(g=
|
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269
|
+
25*j/r));for(f=b;f<=c;++f)2==d?o[f]=o[f]*j/r:o[f]=o[f]*e/q;q=-e/2;r=0;1==d?q=-e-24:3==d?q=24:2==d&&(q=0,r=-j);for(f=b;f<=c;++f){if(a.A){for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]*=a.C,a.gb[f].N[b]*=a.C;cE(a.gb[f])}2==d?r+=o[f]/2+g:q+=o[f]/2+g;for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]+=q,a.gb[f].N[b]+=r;2==d?r+=o[f]/2:q+=o[f]/2;a.A||dE(a.gb[f])}a.C*=h}}
|
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270
|
+
function eE(a){var b;a.nb=!0;a.d=202;a.qb=!1;if(0!=a.vb){a.nb=!0;a.i=!0;for(b=a.f;b<a.vb;++b)a.gb[b]=a.gb[b+1];--a.vb;a.f=a.vb;0<a.vb?a.$=a.gb[a.f]:(a.$=new fE(a),a.$.s=0);null!=a.tb&&vD(a.tb,null)}}function gE(a,b){var c,d,e,f;f=new dC;d=Gc;c="MOL";e="MOL or SDF";b&&(d="SMIRKS",e=c=Bc);d=new WB(Ob+d);var g=(QD(),RD).c;d.d=g;bC(f,d);oA(d.e,a);d=new WB(Ob+c);d.d=TD.c;oA(d.e,a);bC(f,d);a.wb&&(bC(f,new WB(Ba)),c=a.yb,null==c&&(c="Paste "+e),d=new WB(c),d.d=UD.c,oA(d.e,a),bC(f,d));lz(a,f);return f}
|
|
271
|
+
function hE(a,b,c,d){var e,f,g,j,h,n,o;f=100*d+c;h=(c-1)*(a.Z+a.T);g=(d-1)*(a.Z+a.T);1==c&&2<d&&(g-=2*a.Z);U(b,BD);a.pb?(f==a.d&&U(b,kB(BD)),KB(b,h,g,a.Z,a.Z),U(b,(VA(),$A)),iE(b,h,g,a.Z-1,a.Z-1)):f==a.d?JB(b,h+1,g+1,a.Z,a.Z,!1):JB(b,h,g,a.Z,a.Z,!0);if(!(1301==f&&!a.Fb||107==f&&!a.Db))if(201!=f||a.Pb)if(103!=f||a.kb)if(!(105==f&&!a.ub&&!a.r)&&(109!=f||a.Gb))if(c=~~(a.Z/4),3>d)switch(U(b,(VA(),bB)),f){case 101:U(b,eB);f=h+3;d=g+3;c=a.Z-6;e=a.Z-6;jE(b,!0);kE(b,lE(b,f,d,c,e));U(b,bB);f=h+3;d=g+3;c=a.Z-
|
|
272
|
+
6;e=a.Z-6;b.o&&(jE(b,!1),kE(b,lE(b,f,d,c,e)));mE(b,h+6,g+6,a.Z-12,a.Z-12,-35,-110);KB(b,h+9,g+9,2,4);KB(b,h+a.Z-10,g+9,2,4);0.04>Math.random()&&(U(b,cB),KB(b,h+10,g+18,4,4));0.96<Math.random()&&(U(b,eB),KB(b,h+a.Z-10,g+8,2,3));break;case 112:d=h+c;e=h+a.Z-c;j=h+~~(a.Z/2);W(b,d,g+a.Z-c,j,g+~~(a.Z/2));W(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+a.Z-c);n=g+a.Z-c;f=~~(a.Z/24);W(b,j-f,n,j-2*f,n);W(b,j+f,n,j+2*f,n);U(b,fB);W(b,d,g+c,j,g+~~(a.Z/2));W(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+c);n=g+c;W(b,j-f,n,j-2*f,n);W(b,j+f,
|
|
273
|
+
n,j+2*f,n);U(b,bB);break;case 107:U(b,dB);KB(b,h+4,g+4,a.Z-8,a.Z-8);U(b,bB);iE(b,h+4,g+4,a.Z-8,a.Z-8);mE(b,h+6,g+6,a.Z-11,a.Z-12,-35,-110);KB(b,h+9,g+9,2,4);KB(b,h+a.Z-10,g+9,2,4);break;case 108:f=~~(a.Z/4);W(b,h+f,g+a.Z-f,h+a.Z-f,g+f);f=~~(a.Z/2)-f;d=g+~~(2*a.Z/3);h+=~~(a.Z/2);W(b,h,d,h+f,d);g+=~~(a.Z/3);a=h-f;W(b,a,g,h,g);h=~~((a+h)/2);g-=~~(f/2);W(b,h,g,h,g+f);break;case 113:a.Jb&&(f=~~(c/2),d=a.Z-2*c-2*f,c=h+f+c,e=g+(c-h),U(b,hB),iE(b,c,e,d,d),U(b,aB),j=h+~~(a.Z/2),a=g+~~(a.Z/2),n=c+d,o=g+f,g=
|
|
274
|
+
o+f,W(b,c,g,j,o),W(b,j,o,n,g),g=e+d+f,o=g+f,W(b,c,g,j,o),W(b,j,o,n,g),h+=f,n=h+f,g=e+d,W(b,n,e,h,a),W(b,h,a,n,g),h=c+d+f,n=h+f,W(b,h,e,n,a),W(b,n,a,h,g));break;case 110:nE(b,h,g,a.Z,!0);break;case 111:nE(b,h,g,a.Z,!1);break;case 109:W(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));W(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)+~~(c/2));W(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)-~~(c/2));break;case 102:U(b,WA);KB(b,h+3,g+5,a.Z-7,a.Z-11);U(b,bB);iE(b,h+3,g+5,a.Z-7,a.Z-11);break;case 103:U(b,BD);
|
|
275
|
+
a.qb&&JB(b,h+1,g+1,a.Z,a.Z,!1);U(b,bB);oE(a,b,h,g,"NEW");break;case 106:U(b,cB);W(b,h+7,g+7,h+a.Z-7,g+a.Z-7);W(b,h+8,g+7,h+a.Z-6,g+a.Z-7);W(b,h+7,g+a.Z-7,h+a.Z-7,g+7);W(b,h+8,g+a.Z-7,h+a.Z-6,g+7);U(b,bB);W(b,h+c,g+~~(a.Z/2),h+12,g+~~(a.Z/2));oE(a,b,h+6,g,sc);break;case 104:U(b,cB);W(b,h+7,g+7,h+a.Z-7,g+a.Z-7);W(b,h+8,g+7,h+a.Z-6,g+a.Z-7);W(b,h+7,g+a.Z-7,h+a.Z-7,g+7);W(b,h+8,g+a.Z-7,h+a.Z-6,g+7);U(b,bB);break;case 105:a.Ob?(U(b,gB),W(b,h+11,g+5,h+9,g+9),W(b,h+9,g+9,h+4,g+9),W(b,h+4,g+9,h+8,g+12),W(b,
|
|
276
|
+
h+8,g+12,h+6,g+18),W(b,h+6,g+18,h+11,g+15),W(b,h+12,g+5,h+14,g+9),W(b,h+14,g+9,h+19,g+9),W(b,h+19,g+9,h+15,g+12),W(b,h+15,g+12,h+17,g+18),W(b,h+17,g+18,h+12,g+15),U(b,bB)):oE(a,b,h,g,"123");break;case 114:U(b,iB);f=a.Z-8;d=h+~~((a.Z-f)/2);c=g+~~((a.Z-f)/2);KB(b,d,c,f,f);U(b,bB);pE(a,b,h,g,WA,"i");break;case 201:W(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)+2);W(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)-2);W(b,h+a.Z-c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)-2);break;case 202:W(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));
|
|
277
|
+
break;case 203:W(b,h+c,g+~~(a.Z/2)-2,h+a.Z-c,g+~~(a.Z/2)-2);W(b,h+c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)+2);break;case 204:W(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));W(b,h+c,g+~~(a.Z/2)-3,h+a.Z-c,g+~~(a.Z/2)-3);W(b,h+c,g+~~(a.Z/2)+3,h+a.Z-c,g+~~(a.Z/2)+3);break;case 205:W(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));W(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));W(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:qE(a,b,h,g+2,3);break;case 207:qE(a,b,h,g,4);break;
|
|
278
|
+
case 208:qE(a,b,h,g,5);break;case 209:qE(a,b,h,g,1);break;case 210:qE(a,b,h,g,6);break;case 211:qE(a,b,h,g,7);break;case 212:qE(a,b,h,g,8);break;case 213:oE(a,b,h,g,"FG"),a.G=new ZB(h,g)}else d=3,301==f?d=3:401==f?d=4:501==f?d=5:601==f?d=8:701==f?d=9:801==f?d=10:901==f?d=11:1001==f?d=12:1101==f?d=7:1201==f?d=18:1301==f&&(d=19),(a.Sb||1201!=f)&&null!=FD[d]&&pE(a,b,h,g,DD[d],FD[d])}
|
|
279
|
+
function rE(a){var b,c,d;a.lb&&(null==a.K&&(a.K=l),d=a.J.b,c=a.D.c-a.Z,b=a.Z,U(d,BD),KB(d,0,0,c,b),a.pb?(U(d,(VA(),$A)),iE(d,-1,0,c,b-1)):(U(d,CD),W(d,0,0,c-1-2,0),U(d,kB(BD)),W(d,0,b-1,c-1,b-1),W(d,c-1,0,c-1,b-1)),sE(d,a.Y),U(d,(VA(),bB)),-1!=a.K.toLowerCase().indexOf(me)&&U(d,cB),tE(d,a.K,10,15),uE(a.Vb,a.J,a.Z,a.D.b-a.Z))}
|
|
280
|
+
function vE(a){var b,c,d,e;if(a.mb){d=a.R.b;c=a.Z;b=a.D.b-2*a.Z-a.T;U(d,BD);KB(d,0,0,c,b);a.pb?(U(d,(VA(),$A)),W(d,0,b-1,c,b-1),e=wE*(a.Z+a.T)+2,W(d,0,e,c,e),W(d,0,e,0,b),W(d,a.Z-1,e,a.Z-1,b-a.Z)):(U(d,CD),W(d,0,0,0,b-1),W(d,0,wE*a.Z,b-1,wE*a.Z),U(d,kB(BD)),W(d,c-1,0,c-1,b-1-a.Z),W(d,0,b-1,c-1,b-1));for(b=3;b<=wE+2;++b)hE(a,d,1,b);uE(a.Vb,a.R,0,2*a.Z+a.T)}}
|
|
281
|
+
function xE(a){var b,c,d,e;if(a.nb){e=a.db.b;c=a.D.c-a.Z;b=a.D.b-3*a.Z-a.T;U(e,a.u);KB(e,0,0,c,b);d=a.eb?(gC(),jC):(gC(),lC);if((gC(),hC)==(gC(),hC))d==jC?e.b=l:e.b=Cg;d=new tA(a.fb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ea);for(d=1;d<=a.vb;++d){var f=a.gb[d],g=e,j=void 0,h=void 0,n=void 0,o=void 0,q=void 0,r=n=void 0,u=void 0,v=void 0,D=void 0,E=D=q=o=void 0,J=void 0,Q=void 0,sb=o=v=q=j=void 0,V=o=j=void 0,L=h=q=h=void 0,fa=D=Q=void 0,J=h=r=q=q=E=u=L=j=V=V=v=L=J=r=V=L=u=fa=r=J=n=Q=o=v=v=E=J=void 0,
|
|
282
|
+
D=Q=1,n=2,fa=3;f.x&&(cE(f),$D(f.o,1,f.o.vb,0),f.x=!1);n*=f.o.C;fa*=f.o.C;j=1;0.7>f.o.C&&(j=1.2);j=N(M(yE(13*f.o.C*j)));zE(f.o,j);f.o.B&&(U(g,(VA(),bB)),iE(g,0,0,f.o.D.c-1,f.o.D.b-1));if(0!=f.u){if(-1==f.k){o=N(M(Math.round(12*n)));for(j=1;j<=f.u;++j)0<f.e[j]&&7>f.e[j]&&(U(g,(zD(),GD)[f.e[j]]),h=g,q=K(f.K[j]-o/2),V=K(f.N[j]-o/2),L=u=o,jE(h,!0),kE(h,lE(h,q,V,u,L)));for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],0!=f.e[h]&&f.e[h]==f.e[o]&&(U(g,(zD(),GD)[f.e[h]]),J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*J+
|
|
283
|
+
Q*Q),1>D&&(D=1),Q/=D,D=J/D,r=3*fa*Q,J=3*fa*D,V=y(I,s,-1,4,1),q=y(I,s,-1,4,1),V[0]=K(f.K[h]+r),q[0]=K(f.N[h]-J),V[1]=K(f.K[o]+r),q[1]=K(f.N[o]-J),V[2]=K(f.K[o]-r),q[2]=K(f.N[o]+J),V[3]=K(f.K[h]-r),q[3]=K(f.N[h]+J),o=g,h=V,jE(o,!0),kE(o,AE(o,h,q,4,!0)))}for(j=1;j<=f.v;++j){U(g,(VA(),bB));h=f.I[j];o=f.J[j];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[o]&&U(g,(zD(),GD)[f.e[h]]);if(3==f.C[j]||4==f.C[j])q=h,h=o,o=q;L=f.K[h];u=f.N[h];V=f.K[o];q=f.N[o];if(1!=f.t[j]||0!=f.C[j])J=V-L,Q=q-u,D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),
|
|
284
|
+
Q/=D,D=J/D;switch(f.t[j]){case 2:10<=f.C[j]&&U(g,fB);r=n*Q;J=n*D;W(g,N(M(Math.round(L+r))),N(M(Math.round(u-J))),N(M(Math.round(V+r))),N(M(Math.round(q-J))));W(g,N(M(Math.round(L-r))),N(M(Math.round(u+J))),N(M(Math.round(V-r))),N(M(Math.round(q+J))));U(g,bB);break;case 3:o=N(M(Math.round(L)));h=N(M(Math.round(u)));V=N(M(Math.round(V)));q=N(M(Math.round(q)));W(g,o,h,V,q);L=N(M(Math.round(fa*Q)));u=N(M(Math.round(fa*D)));W(g,o+L,h-u,V+L,q-u);W(g,o-L,h+u,V-L,q+u);break;case 9:case 0:for(h=0;10>h;++h)v=
|
|
285
|
+
L-(L-V)/10*h,E=u-(u-q)/10*h,W(g,N(M(Math.round(v))),N(M(Math.round(E))),N(M(Math.round(v))),N(M(Math.round(E))));sE(g,f.o.n);o=zB(f.o.o.c).b-zB(f.o.o.c).c;J=f.f[j];h=ub;null!=J&&(h=J);J=oC(f.o.o,h);L=N(M(Math.round((L+V)/2-J/2)));r=N(M(Math.round((u+q)/2+~~(o/2)-1)));U(g,fB);tE(g,h,L,r);U(g,bB);break;default:if(1==f.C[j]||3==f.C[j])r=fa*Q,J=fa*D,E=y(I,s,-1,3,1),v=y(I,s,-1,3,1),E[0]=N(M(Math.round(V+r))),v[0]=N(M(Math.round(q-J))),E[1]=N(M(Math.round(L))),v[1]=N(M(Math.round(u))),E[2]=N(M(Math.round(V-
|
|
286
|
+
r))),v[2]=N(M(Math.round(q+J))),o=g,h=E,q=v,jE(o,!0),kE(o,AE(o,h,q,3,!0));else if(2==f.C[j]||4==f.C[j]){r=fa*Q;J=fa*D;for(h=0;10>h;++h)v=L-(L-V)/10*h,E=u-(u-q)/10*h,o=h/10,W(g,N(M(Math.round(v+r*o))),N(M(Math.round(E-J*o))),N(M(Math.round(v-r*o))),N(M(Math.round(E+J*o))))}else W(g,N(M(Math.round(L))),N(M(Math.round(u))),N(M(Math.round(V))),N(M(Math.round(q))))}}D=y(aE,m,-1,f.u+1,1);Q=y(I,s,-1,f.u+1,1);for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],n=f.K[h],q=f.K[o],++Q[h],++Q[o],D[h]=D[h]/Q[h]+q/Q[h],D[o]=
|
|
287
|
+
D[o]/Q[o]+n/Q[o];sE(g,f.o.n);o=zB(f.o.o.c).b-zB(f.o.o.c).c;J=y(gt,m,1,f.u+1,0);V=y(I,s,-1,f.u+1,1);q=y(I,s,-1,f.u+1,1);n=y(BE,m,100,f.u+1,0);u=2;1!=f.o.C&&(u=N(M(yE(2*f.o.C))));for(j=1;j<=f.u;++j)h=CE(f,j),(null==h||1>h.length)&&(h=wa),3==f.c[j]&&0<f.A[j]&&0==f.B[j]?(J[j]=h,V[j]=q[j]=oC(f.o.o,h),n[j]=DE(f,u,j,V[j],V[j],o,!1)):(L=D[j]<f.K[j],E=!0,1<Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/3&&(E=!1),2<Q[j]&&(E=!1),1==Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/10&&
|
|
288
|
+
(L=!0),r=h,sb=l,f.o.Lb&&0<f.y[j]&&(sb+=Xb,1<f.y[j]&&(sb+=f.y[j])),v=l,0!=f.B[j]&&(1<ck(f.B[j])&&(v+=ck(f.B[j])),0<f.B[j]?v+=xa:v+=Ba),L||!E?h=h+sb+v+l:h=v+sb+l+h,E||(r=h),J[j]=h,r=oC(f.o.o,r),v=oC(f.o.o,h),V[j]=r,q[j]=v,v=n[j]=DE(f,u,j,r,v,o,L),L=v.d+u+1,r=v.e+o+u,U(g,f.o.u),-1==f.k&&0!=f.e[j]&&U(g,(zD(),GD)[f.e[j]]),KB(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?U(g,(zD(),GD)[f.e[j]]):U(g,(VA(),bB)):U(g,(zD(),DD)[f.c[j]]),tE(g,h,L,r));for(h=1;h<=f.z;++h)j=f.r[h][0],r=V[j],v=q[j],L=N(M(yE(f.K[j]-r/2))),r=
|
|
289
|
+
N(M(yE(f.N[j]+~~(o/2)-1))),U(g,(VA(),fB)),tE(g,ba+f.r[h][1],L+v,r);if(0<f.E||0<f.F)if(U(g,104==f.o.d?(VA(),cB):(VA(),iB)),0<f.E&&106!=f.o.d&&(v=n[f.E],iE(g,v.d,v.e,v.c,v.b)),0<f.F&&(h=f.I[f.F],o=f.J[f.F],J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,r=(fa+1)*Q,J=(fa+1)*D,E=y(I,s,-1,5,1),v=y(I,s,-1,5,1),E[0]=N(M(yE(f.K[h]+r))),E[1]=N(M(yE(f.K[o]+r))),v[0]=N(M(yE(f.N[h]-J))),v[1]=N(M(yE(f.N[o]-J))),E[3]=N(M(yE(f.K[h]-r))),E[2]=N(M(yE(f.K[o]-r))),v[3]=N(M(yE(f.N[h]+J))),
|
|
290
|
+
v[2]=N(M(yE(f.N[o]+J))),E[4]=E[0],v[4]=v[0],106!=f.o.d&&(fa=g,j=E,Q=v,fa.o&&(jE(fa,!1),kE(fa,AE(fa,j,Q,5,!0)))),106==f.o.d&&EE(f,f.I[f.F],f.J[f.F]))){fa=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++fa;if(fa>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;U(g,(VA(),cB));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],iE(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(U(e,(VA(),$A)),W(e,c-1,0,c-1,b-1)):(U(e,kB(BD)),W(e,c-1,0,c-1,b-1),U(e,BD),W(e,c-2,0,c-2,b-1),U(e,CD),W(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),U(e,(VA(),fB)),W(e,
|
|
291
|
+
d,~~(b/2),d+48,~~(b/2)),W(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),W(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.A&&(a.U=new xB(Zb,0,13),a.X=new nC(a.U),null!=a.cb&&(d=oC(a.X,a.cb),c=N(M(Math.round((c-d)/2))),b-=13,U(e,(VA(),bB)),sE(e,a.U),tE(e,a.cb,c,b)));uE(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
|
|
292
|
+
function qE(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(I,s,-1,9,1);n=y(I,s,-1,9,1);c+=~~(a.Z/2);d+=~~(a.Z/2);a=~~(a.Z/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+a*Math.sin(j)),n[f]=K(d+a*Math.cos(j));f=e+1;b.o&&(jE(b,!1),kE(b,AE(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+(a-3)*Math.sin(j)),n[f]=K(d+(a-3)*Math.cos(j));W(b,h[0],n[0],h[1],n[1]);W(b,h[2],n[2],h[3],n[3]);W(b,h[4],n[4],h[5],n[5])}}
|
|
293
|
+
function FE(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;U(d,BD);KB(d,0,0,b,c);a.pb?(U(d,(VA(),$A)),c=14*(a.Z+a.T),iE(d,c,0,b-c-1,2*a.Z+a.T-1)):(U(d,kB(BD)),W(d,b-1,0,b-1,c-1),W(d,0,c-1,b-1-2,c-1),U(d,CD),W(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)hE(a,d,b,1),hE(a,d,b,2);a.d=c;uE(a.Vb,a.Rb,0,0)}}
|
|
294
|
+
function nE(a,b,c,d,e){var f,g,j,h,n,o,q,r;n=~~(d/4);o=2+~~(n/2);g=2+n;r=c+~~(10*d/24);h=r+n;q=b+d;e?(j=2+b,f=o+b,g+=b):(f=q-o,j=q-2,g=q-g);W(a,j,r,f,h);W(a,g,r,f,h);j=~~(n/3);W(a,f,r+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=q-f-o,h*=-1,e=-90);mE(a,b,c+o-j,f,d-4-j-1,e,h)}
|
|
295
|
+
function GE(a,b,c){var d,e,f,g,j,h;HE(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=IE(b);b=new tD(b,j,!0);e=l;for(d=1;5>=d;++d)e=JE(b,j);d=KE(ZC(no(e.substr(0,3)),10)).b;g=KE(ZC(no(e.substr(3,3)),10)).b;JE(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=JE(b,j),null==h||G(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new LE(a,f)}$D(a,1,d,1);$D(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new LE(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",XD(a),!1;null!=a.j&&a.$&&ME(a.$,a.j,!0);null!=a.k&&
|
|
296
|
+
a.$&&ME(a.$,a.k,!1);j=NE(a.$,!1);if(1==j)a.gb[++a.vb]=a.$;else{a.kb=!0;for(e=1;e<=j;++e)a.gb[++a.vb]=new OE(a,a.$,e)}a.f=1;a.$=a.gb[a.f];$D(a,1,j,0)}c&&XD(a);return!0}function xr(a,b){a.lb=!0;a.K=b}function zE(a,b){100>b&&(!ID[b]&&(ID[b]=new xB(Zb,0,b)),!KD[b]&&bt(KD,b,new nC(ID[b])),a.n=ID[b],a.o=KD[b])}
|
|
297
|
+
function Br(a,b){var c,d;if(0==b)return!1;WD(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:eE(a);break;case 110:a.nb=!0;a.d=c;a._.b!=a._.c&&a._.b.c!=a._.c?a.i&&(++a.vb,a.f=a.vb,a.i=!1):(a.lb=!0,a.K="No more undo");if(!(a._.b!=a._.c&&a._.b.c!=a._.c))break;PE(a,QE(a._));a.nb=!0;break;case 111:a.d=c;if(a._.b.d)a.i&&(++a.vb,a.f=a.vb,a.i=!1);else{a.lb=!0;a.K="No more redo";break}if(!a._.b.d)break;d=a._;if(!d.b.d)throw new Qv("Cannot redo. Index is out of range.");if(!d.b.d)throw new Qv(bc);
|
|
298
|
+
d.b=d.b.d;PE(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=Hu(d,d.b)):d=null;null==d?(a.lb=!0,a.K=lc):(xr(a,hc+(a.Ib.b+1)+ca+a.Ib.d),d=RE(d),SE(a,d,!1,!0),null!=a.tb&&vD(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=Hu(d,d.b)):d=null;null==d?(a.lb=!0,a.K=lc):(xr(a,hc+(a.Ib.b+1)+ca+a.Ib.d),d=RE(d),SE(a,d,!1,!0),null!=a.tb&&vD(a.tb,null));break;case 101:a.Mb&&TE(a.Mb);a.Mb=new UE(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new VE(a):a.Eb.hc.d.hb?WE(a.Eb.hc.d):XE(a.Eb);break;case 114:a.c&&
|
|
299
|
+
TE(a.c);a.c=new UE(0,a);a.d=c;break;case 103:a.nb=!0;a.qb=!0;a.d=c;break;case 105:a.nb=!0;a.r&&a.hb&&(a.hb=!1,YE(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=ZE(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(aE,m,-1,4,1);bE(a.$,d);a.nb=!0;a.$=new OD(a.$);d=K(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;$E(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,aF(a.$,a.$.E),a.$.E=0,YD(a)):0<a.$.F&&(a.nb=!0,bF(a.$,a.$.F),a.$.F=0,YD(a));cF(a.$);break;case 213:a.d=
|
|
300
|
+
c;if(!a.F){var e,f,g,j;j=new dC;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new WB(c),bC(j,g),g.d=c,oA(g.e,a);lz(a,j);a.F=j}cC(a.F,a,a.G.b,a.G.c)}else{a.mb=!0;a.ob=!0;switch(b){case 301:a.e=3;break;case 401:a.e=4;break;case 501:a.e=5;break;case 701:a.e=9;break;case 801:a.e=10;break;case 901:a.e=11;break;case 1001:a.e=12;break;case 601:a.e=8;break;case 1101:a.e=7;break;case 1300:a.e=1;break;case 1201:a.p&&(TE(a.p),a.p=null);0==a.$.E&&(a.p=new UE(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
|
|
301
|
+
20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.E&&(a.nb=!0,a.e!=a.$.c[a.$.E]&&18!=a.e&&(a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,YD(a)),18==a.e&&(d=vo((yr(),zr).hc.b.pb,dh),dF(a.$,a.$.E,d),YD(a)),cF(a.$))}XD(a);return!0}
|
|
302
|
+
function tr(a){var b,c,d;d=SD(a);c=l;if(a.Gb){var e,f,g;g=Ws([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)ZE(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(eF(g[1][0],3)+eF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+fF(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+fF(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new gF(a,a.gb,a.vb)),c=fF(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
|
|
303
|
+
function hF(a,b,c,d){var e;e=c;var f=d,g,j;(g=iF(b),j=0!=(b.f&2),g||j)?(a.Gb?cC((!a.x&&(a.x=gE(a,!0)),a.x),a,e,f):cC((!a.w&&(a.w=gE(a,!1)),a.w),a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=jF(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){b=0;for(e=1;14>=e;++e)if(c<e*(a.Z+a.T)){b=e;break}c=0;for(e=1;e<=wE+2;++e)if(d<e*(a.Z+a.T)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",XD(a),
|
|
304
|
+
!0;if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",XD(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=Br(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)aF(a.$,a.$.E),a.$.E=0,YD(a);else{if(106==a.d)return!0;if(108==a.d)kF(a.$,a.$.E,0),YD(a);else if(157==a.d)kF(a.$,a.$.E,1),YD(a);else if(158==a.d)kF(a.$,a.$.E,-1),YD(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
|
|
305
|
+
1,Y(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):YD(a);else if(206<=a.d&&229>=a.d)a.P=2,lF(a.$),YD(a);else if(230==a.d)a.P=3,YD(a);else if(233<=a.d&&262>a.d)mF(a.$,!1),YD(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;dF(a.$,a.$.E,vo(a.Eb.f.hc.b.pb,dh));a.$.n=!0;YD(a)}else if(105==a.d)nF(a.$),YD(a);else if(113!=a.d)if(300<a.d){if(a.e!=a.$.c[a.$.E]||18==a.e)a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,18==a.e&&(d=vo((yr(),zr).hc.b.pb,dh),1>d.length&&(d=Rc),dF(a.$,a.$.E,
|
|
306
|
+
d)),YD(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,lF(a.$),YD(a);else if(0<a.$.F)if(104==a.d)bF(a.$,a.$.F),a.$.F=0,YD(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])xr(d.o,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.u;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;aF(d,c);d.b[c]=0}a.$.F=0;YD(a)}else if(201==a.d)oF(a.$,a.$.F),YD(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),YD(a),a.$.C[a.$.F]=
|
|
307
|
+
0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,YD(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,YD(a);else if(206<=a.d&&229>=a.d)a.P=2,lF(a.$),YD(a);else if(107==a.d){if(!a.Eb.c)return!0;d=vo(a.Eb.f.hc.b.pb,dh);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;YD(a)}else 105==a.d?(a.lb=!0,a.K="Only atoms may be marked !"):e=!1;else if(0==a.vb||a.qb){if(201>=a.d)return!1;++a.vb;a.f=a.vb;a.gb[a.vb]=new fE(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(pF(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
|
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308
|
+
1,a.$.G=1,a.P=1,Y(a.$,0),205==a.d&&(a.$.K[2]=c+21.65,a.$.N[2]=d-12.5,a.$.j[0]=1,a.$.j[1]=2,a.$.w=1)):206<=a.d&&229>=a.d?(a.$.M=c,a.$.P=d,a.P=2,lF(a.$)):300<a.d?(pF(a.$),a.$.c[1]=a.e,a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,18==a.e&&(d=vo((yr(),zr).hc.b.pb,dh),1>d.length&&(d=Rc),dF(a.$,1,d))):230==a.d?qF(a,null,!0):233<=a.d&&262>a.d?(pF(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,mF(a.$,!0)):LC();YD(a)}else e=!1;e&&(cF(a.$),a.mb=!1,a.ob=!1,a.nb=!0,XD(a))}return e}
|
|
309
|
+
function rF(a,b,c,d){var e,f;if(a.A||!a.ib||iF(b))return!0;a.lb=!1;c-=a.Z;d-=2*a.Z;e=c-a.Tb;f=d-a.Ub;if(2==a.P||3==a.P||9==a.P)return!0;if(1==a.P){a:{b=a.$;e=c;f=d;var g,j,h,n,o,q,r;b.E=0;b.K[0]=e;b.N[0]=f;g=sF(b,0);if(0<g&&205!=b.o.d)b.E=g,g!=b.G?(b.K[b.u]=b.K[g],b.N[b.u]=b.N[g]):(b.K[b.u]=b.M,b.N[b.u]=b.P);else if(205==b.o.d){b.F=0;g=b.j[b.w];n=b.j[b.w-1];j=b.K[g]-b.K[n];h=b.N[g]-b.N[n];g=Math.sqrt(j*j+h*h);1>g&&(g=1);h/=g;j/=g;o=g/2/Math.tan(0.5235987755982988);q=e-b.K[n];r=f-b.N[n];n=-g/2+q*j+
|
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310
|
+
r*h;h=r*j-q*h;if(0>n)if(1<b.w)aF(b,b.u),--b.w,b.D=!1;else if(2==b.u)0>b.N[2]-b.N[1]&&0<f-b.N[1]?b.N[2]=b.N[1]+g/2:0<b.N[2]-b.N[1]&&0>f-b.N[1]&&(b.N[2]=b.N[1]-g/2),0>b.K[2]-b.K[1]&&0<e-b.K[1]?b.K[2]=b.K[1]+0.866*g:0<b.K[2]-b.K[1]&&0>e-b.K[1]&&(b.K[2]=b.K[1]-0.866*g);else{if(2==b.A[b.j[0]]&&(o=b.H[b.j[0]][1],o==b.j[1]&&(o=b.H[b.j[0]][2]),j=b.K[b.j[0]]-b.K[o],h=b.N[b.j[0]]-b.N[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,q=e-b.K[o],r=f-b.N[o],e=r*j-q*h,q=b.K[b.j[1]]-b.K[o],r=b.N[b.j[1]]-b.N[o],f=r*j-
|
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311
|
+
q*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],Y(b,0),bF(b,e),0<sF(b,b.u)&&(b.D=!0)}else{if(b.D)break a;e=-1;n<1.5*g&&(e=(1.5*g-n)*o/(1.5*g));if((0>=h?0-h:h)>e){++b.w;if(100<b.w){xr(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;Y(b,N(M(Math.round(h))));b.j[b.w]=b.u;0<sF(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;xr(b.o,e+l)}else j=e-b.K[b.G],h=f-b.N[b.G],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.K[b.u]=b.K[b.G]+25*(j/g),b.N[b.u]=b.N[b.G]+25*(h/g)}a.s=!0}else if(113==a.d&&0<a.$.E)a.jb||(a.jb=
|
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312
|
+
!0),b=a.$,0<b.E&&(e=b.E,b.K[e]=c,b.N[e]=d);else if(jF(b)||iF(b))VD(a.$,e),a.P=5;else if(0==a.$.E&&0==a.$.F){5!=a.P&&(e=f=0);b=a.$;for(g=1;g<=b.u;++g)b.K[g]+=e,b.N[g]+=f;h=y(aE,m,-1,4,1);bE(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.o.D.c-b.o.Z&&0<h&&h<b.o.D.b-3*b.o.Z))for(g=1;g<=b.u;++g)b.K[g]-=e,b.N[g]-=f;a.P=5}a.E=!1;WD(a);a.nb=!0;XD(a);a.Tb=c;a.Ub=d;return!0}
|
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313
|
+
function tF(a,b,c,d){var e,f,g;if(!(a.A&&null==a.sb||iF(b))){c-=a.Z;d-=2*a.Z;g=!1;f=0;b=1;a:for(;b<=a.vb;++b){e=a.gb[b];for(var j=c,h=d,n=void 0,o=void 0,q=void 0,r=void 0,u=void 0,n=void 0,q=0,u=((zD(),HD)?350:170)+1,r=1;r<=e.v;++r)n=j-e.L[r],o=h-e.O[r],n=n*n+o*o,n<u&&(u=n,q=r);q*=-1;for(r=1;r<=e.u;++r)n=j-e.K[r],o=h-e.N[r],n=n*n+o*o,n<u&&(u=n,q=r);e=q;if(0!=e){a.gb[b].E=0<e?e:0;a.gb[b].F=0>e?-e:0;f=b;g=!0;uF(a,a.gb[b].E);113==a.d&&0>e&&(g=!1,a.gb[b].F=0);break a}else if(uF(a,0),0<a.gb[b].E||0<a.gb[b].F)a.gb[b].E=
|
|
314
|
+
0,a.gb[b].F=0,g=!0}if(g){for(b=a.f+1;b<=a.vb;++b)a.gb[b].E=0,a.gb[b].F=0;a.E=!1;WD(a);a.nb=!0;XD(a)}!a.A&&0!=f&&f!=a.f&&(a.f=f,a.$=a.gb[a.f])}}
|
|
315
|
+
function vF(a){if(a.A)return!0;a.jb&&(a.jb=!1,YD(a));a.lb=!1;a.Q=nh;if(1==a.P){if(205==a.d){var b=a.$,c,d;b.D&&(c=sF(b,b.u),6>b.A[c]&&(wF(b),d=b.j[b.w-1],b.I[b.v]=c,b.J[b.v]=d,b.H[c][++b.A[c]]=d,b.H[d][++b.A[d]]=c),aF(b,b.u));b.D=!1;YD(a)}else a:{var b=a.$,e,f;c=sF(b,b.u);if(0!=c){--b.u;for(f=1;f<b.v;++f)if(d=b.I[f],e=b.J[f],d==c&&e==b.G||d==b.G&&e==c){--b.v;--b.A[b.G];3>b.t[f]?(++b.t[f],b.C[f]=0):xr(b.o,"Maximum allowed bond order is 3 !");break a}6==b.A[c]?(--b.v,--b.A[b.G],xr(b.o,"Not possible connection !")):
|
|
316
|
+
(b.J[b.v]=c,b.H[c][++b.A[c]]=b.G,b.H[b.G][b.A[b.G]]=c,b.L[b.v]=N(M(yE((b.K[b.G]+b.K[c])/2))),b.O[b.v]=N(M(yE((b.N[b.G]+b.N[c])/2))))}}dE(a.$);a.s&&(b=a._,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,QE(b),b.b.d=c),YD(a),a.s=!1)}else 5==a.P&&(dE(a.$),YD(a));0<a.P&&(a.E=!1,WD(a),a.nb=!0,cF(a.$),xF(a.$),XD(a),a.P=0,a.i=!1);if(HD&&(0!=a.$.F||0!=a.$.E))a.$.F=0,a.$.E=0,WD(a),a.nb=!0,XD(a);return!0}function WD(a){a.mb=!1;a.ob=!1;a.nb=!1}
|
|
317
|
+
function uF(a,b){if(null!=a.sb&&!(0>=b&&0==a.Cb||b==a.Cb&&a.f==a.Bb))0>=b&&0<a.Cb&&(b=0),a.Cb=b,a.Bb=a.f,vD(a.sb,H(yF,m,127,[new S(a.f),new S(b)]))}
|
|
318
|
+
function zF(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Fb=!1:-1<b.indexOf("rbutton")&&(a.Fb=!0);-1<b.indexOf("nohydrogens")?a.Lb=!1:-1<b.indexOf("hydrogens")&&(a.Lb=!0);-1<b.indexOf("keephs")&&(a.O=!0);-1<b.indexOf("removehs")&&(a.O=!1);-1<b.indexOf("noquery")?a.Db=!1:-1<b.indexOf("query")&&(a.Db=!0);-1<b.indexOf(Lf)?a.Gb=!1:-1<b.indexOf(jg)&&(a.Gb=!0);-1<b.indexOf("noautoez")?a.q=!1:-1<b.indexOf("autoez")&&(a.q=!0);-1<b.indexOf("nostereo")?a.Pb=!1:-1<b.indexOf("stereo")&&(a.Pb=!0);
|
|
319
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+
-1<b.indexOf("nocanonize")?a.t=!1:-1<b.indexOf("canonize")&&(a.t=!0);-1<b.indexOf("nomultipart")?a.kb=!1:-1<b.indexOf(Gf)&&(a.kb=!0);-1<b.indexOf("nonumber")?(a.ub=!1,a.r=!1):-1<b.indexOf(Pf)&&(a.ub=!0,a.r=!1);-1<b.indexOf("newlook")?(a.pb=!0,a.T=1):-1<b.indexOf("oldlook")&&(a.pb=!1,a.T=0);-1<b.indexOf("autonumber")&&(a.r=!0,a.ub=!0);-1<b.indexOf("star")&&(a.Ob=!0,a.ub=!0);-1<b.indexOf("nostar")&&(a.Ob=!1,a.ub=!1);-1<b.indexOf("polarnitro")&&(a.zb=!0);-1<b.indexOf("nopolarnitro")&&(a.zb=!1);-1<b.indexOf("depict")&&
|
|
320
|
+
(a.A=!0,a.Z=0,a.db=null,$D(a,1,a.vb,0));if(-1<b.indexOf("nodepict")){a.A=!1;for(d=1;d<=a.vb;++d)AF(a.gb[d]),cE(a.gb[d]);a.C=1;a.Z=24;a.$&&(a.$.x=!0)}-1<b.indexOf("xbutton")&&(a.Sb=!0);-1<b.indexOf("noxbutton")&&(a.Sb=!1);d=a.wb;-1<b.indexOf("nopaste")?a.wb=!1:-1<b.indexOf(Zf)&&(a.wb=!0);d!=a.wb&&(a.w=null,a.x=null);-1<b.indexOf(qd)&&(a.B=!0);-1<b.indexOf("noborder")&&(a.B=!1);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.rb=!0);-1<b.indexOf("jmeh")&&
|
|
321
|
+
(a.N=!0);-1<b.indexOf("showan")&&(a.Kb=!0);-1<b.indexOf("atommovebutton")&&(a.Jb=!0);-1<b.indexOf("noatommovebutton")&&(a.Jb=!1);a.Gb&&(a.r=!0,a.kb=!0);a.A||(a.B=!1);a.Fb&&++wE;c&&XD(a)}
|
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322
|
+
function XD(a){var b,c,d,e;b=iA(a);!a.D||b.c!=a.D.c||b.b!=a.D.b||!a.db||!a.J?(e=!1,a.D&&(e=b.c!=a.D.c||b.b!=a.D.b),a.D=b,d=b.c-a.Z,c=b.b-3*a.Z-a.T,1>d&&(d=1),1>c&&(c=1),a.db=a.Je(a.db,d,c),a.A&&e&&$D(a,1,a.vb,0),xE(a),a.A||(a.Rb=a.Je(a.Rb,b.c,2*a.Z+a.T),FE(a),c=b.b-2*a.Z+a.T,1>c&&(c=1),a.R=a.Je(a.R,a.Z,c),vE(a),a.J=a.Je(a.J,d,a.Z),rE(a))):(xE(a),a.A||(rE(a),a.E&&(FE(a),vE(a)),a.E=!0));a.mb=!0;a.ob=!0;a.nb=!0;a.lb=!0}
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323
|
+
function BF(a,b){var c,d,e;e=l;for(d=1;d<=a.vb;++d){if(0<b&&(c=ZE(a.gb[d]),c!=b))continue;c=a.gb[d];for(var f=void 0,g=void 0,j=void 0,h=void 0,n=g=f=void 0,o=void 0,j=void 0,o=l+c.u+ba+c.v,h=1;h<=c.u;++h){j=CE(c,h);c.o.N&&0<c.y[h]&&(j+=Xb,1<c.y[h]&&(j+=c.y[h]));0!=c.B[h]&&(0<c.B[h]?j+=xa:j+=Ba,1<ck(c.B[h])&&(j+=ck(c.B[h])));g=-1;for(f=1;f<=c.z;++f)if(c.r[f][0]==h){g=c.r[f][1];break}c.o.Ob&&0<c.e[h]&&(g=1);-1<g&&(j+=mb+g);o+=ba+j+ba+CF(0.055999999999999994*c.K[h],0,2)+ba+CF(0.055999999999999994*-c.N[h],
|
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324
|
+
0,2)}for(h=1;h<=c.v;++h)f=c.I[h],g=c.J[h],n=c.t[h],1==c.C[h]?n=-1:2==c.C[h]?n=-2:3==c.C[h]?(n=-1,j=f,f=g,g=j):4==c.C[h]?(n=-2,j=f,f=g,g=j):10==c.C[h]&&(n=-5),9==c.t[h]&&(n=c.C[h]),o+=ba+f+ba+g+ba+n;c=o;0<c.length&&(0<e.length&&(e+=lh),e+=c)}return e}function ND(a,b){var c,d,e;e=l;for(c=1;c<=a.vb;++c){if(0<b&&(d=ZE(a.gb[c]),d!=b))continue;d=void 0;d=DF(a.gb[c]);d=EF(d);0<d.length&&(0<e.length&&(e+=Ya),e+=d)}return e}
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325
|
+
function YD(a){var b;switch(a.P){case 5:case 7:case 9:break;default:null!=a.tb&&vD(a.tb,null)}var c,d,e;e=new FF;e.b=a.f;e.i=a.vb;c=!1;for(b=1;99>b;++b)if(d=a.gb[b])0<d.u&&(c=!0),e.e[b]=DF(d);else break;e.j=a.Gb;e.f=a.kb;e.c=a.C;e.d=a.P;if(b=c?e:null)a=a._,b=new GF(b),c=a.b.d,a.b.d=b,b.c=a.b,c&&(b.d=c,c.c=b),a.b=b}function SE(a,b,c,d){try{GE(a,b,d)?c&&YD(a):XD(a)}catch(e){if(e=Wi(e),A(e,124))XD(a);else throw e;}}
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326
|
+
function qF(a,b,c){try{var d;a:{var e,f,g,j,h,n,o,q;HE(a,c);e=j=0;q=new tD(b,"|>",!0);g=-1<b.indexOf(tb);n=1;h=mD(q);a.vb=0;for(f=1;f<=h;++f)if(o=qD(q),no(o),!G(o,lh))if(G(o,tb))++n,2==n?j=a.vb:3==n&&(e=a.vb+1);else{a.$=new HF(a,o);if(0==a.$.u){IF(a,"ERROR - problems in reading/processing molecule !");LC();d=!1;break a}++a.vb;a.f=a.vb;a.gb[a.vb]=a.$}2==n?(IF(a,"ERROR - strange reaction - fixing !"),LC(),d=!1):3<n?(IF(a,"ERROR - strange reaction !"),LC(),d=!1):(1<a.vb&&!g&&zF(a,Gf,!0),g&&!a.Gb&&zF(a,
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327
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+
jg,!0),!g&&a.Gb&&zF(a,Lf,!0),g?($D(a,1,j,1),$D(a,j+1,e-1,2),$D(a,e,a.vb,3)):$D(a,1,a.vb,0),c&&XD(a),d=!0)}d?YD(a):XD(a)}catch(r){if(r=Wi(r),A(r,124))XD(a);else throw r;}}function JF(a){WD(a);a.nb=!0;XD(a)}function HE(a,b){a.d=202;a.qb=!1;a.vb=0;a.f=0;a.$=new fE(a);a.$.s=0;a.cb=null;a.C=1;a.nb=!0;b&&XD(a);null!=a.tb&&vD(a.tb,null)}
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328
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+
function PE(a,b){var c,d;a.f=b.b;a.vb=b.i;for(c=1;99>c;++c)(d=b.e[c])?a.gb[c]=DF(d):a.gb[c]=null;a.$=a.gb[a.f];a.Gb=b.j;a.kb=b.f;a.C=b.c;switch(b.d){case 5:case 7:case 9:break;default:null!=a.tb&&vD(a.tb,null)}}function KF(a,b){a.lb=!0;a.K=l;return 1>b||b>a.vb?(a.lb=!0,a.K="ERROR - invalid mol index: "+b,XD(a),null):a.gb[b]}
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329
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function ZD(a,b){var c;c=-1;G(b,"Select substituent")?(c=202,b=l):G(b,Ia)?c=235:G(b,Ja)?c=240:G(b,Ha)?c=260:G(b,Na)?c=261:G(b,Ta)?c=241:G(b,Ma)?c=233:G(b,La)?c=236:G(b,Ka)?c=237:G(b,Sa)?c=234:G(b,Ra)?c=243:G(b,Ua)?c=252:G(b,Qa)?c=244:G(b,Va)?c=239:G(b,"-PO3H2")?c=251:G(b,Ga)?c=242:G(b,Ea)?c=245:G(b,Fa)&&(c=238);0<c?Br(a,c):b="Not known group!";a.lb=!0;a.K=b;XD(a)}function IF(a,b){a.lb=!0;a.K=b;XD(a)}function SD(a){var b;b=MD(a);WD(a);XD(a);return b}
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330
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function oE(a,b,c,d,e){var f,g,j,h;f=a.X;h=oC(f,e);if(h>=a.Z-1)for(g=f.c.c;h>=a.Z-1&&1<g;)--g,j=new xB(f.c.b,f.c.d,g),f=new nC(j),h=oC(f,e),b.f=j,b.j=LF(j);else sE(b,a.U);f=zB(f.c).b-zB(f.c).c;tE(b,e,c+~~((a.Z-h)/2),d+~~((a.Z-f)/2)+f)}function pE(a,b,c,d,e,f){var g,j;g=zB(a.W.c).b-zB(a.W.c).c;j=oC(a.W,f);sE(b,a.V);(b.e=e)&&(b.i=mg+(e.b>>16&255)+za+(e.b>>8&255)+za+(e.b&255)+va);tE(b,f,c+~~((a.Z-j)/2),d+~~((a.Z-g)/2)+g)}
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function Ar(a,b){a.r?0==b&&(a.z=-1,a.lb=!0,a.K=Ed,XD(a)):(a.S?a.z=b:-1<a.z&&10>a.z?a.z=10*a.z+b:a.z=b,a.S=!1,0==a.z?(a.z=-1,a.lb=!0,a.K=Ed):xr(a,a.z+ba),XD(a))}t(461,383,Gi);_.xe=function(a){PD(this,a)};_.Je=function(a,b,c){return eA(this,b,c)};_.Ke=function(){};_.ee=function(){XD(this)};_.c=null;_.d=0;_.e=0;_.f=0;_.i=!1;_.j=null;_.k=null;_.n=null;_.o=null;_.p=null;_.q=!1;_.r=!1;_.s=!1;_.t=!0;_.w=null;_.x=null;_.z=1;_.A=!1;_.B=!1;_.C=1;_.D=null;_.E=!0;_.F=null;_.G=null;_.I="http://peter-ertl.com/jsme/2013_03/help.html";
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function eG(a,b,c){zH.call(this);this.hc&&HB(this.hc.d,!1);EB(this,!1);Zz(this,new PB(0));a=new TB(a,1);P(this,a,null);a=new cA;P(a,this.j,null);P(this,a,null);b&&(this.k=sz(b),DB(this),xH(this.k,~~(uo(b.Vb.pb,Sf)/2)-~~(this.mc/2),~~(uo(b.Vb.pb,Rf)/2)-~~(this.cc/2)));c&&O(this,c)}t(530,531,ti,eG);_.Mf=function(){return"OK"};function QE(a){if(!(a.b!=a.c&&a.b.c!=a.c))throw new Qv("Cannot undo. Index is out of range.");if(!a.b.c)throw new Qv(bc);a.b=a.b.c;return a.b.b}
|
|
396
|
+
function $F(){this.b=this.c=new BH}t(532,1,{},$F);_.b=null;function BH(){this.b=null}function GF(a){this.b=a}t(533,1,{},BH,GF);_.b=null;_.c=null;_.d=null;function AH(a){this.b=a}t(534,443,qi,AH);_.b=null;function ur(a){this.b=a}t(535,1,{},ur);_.b=null;function QD(){QD=x;RD=new CH("COPY_SMILES",0);TD=new CH("COPY_MOL",1);UD=new CH("PASTE",2);DH=H(EH,m,139,[RD,TD,UD])}function CH(a,b){Jo.call(this,a,b)}t(536,141,{117:1,121:1,123:1,139:1},CH);var DH,TD,RD,UD;function FF(){this.e=y(OF,m,140,99,0)}
|
|
397
|
+
t(537,1,{},FF);_.b=0;_.c=1;_.d=0;_.f=!1;_.i=0;_.j=!1;function FH(a){a.c=y(I,s,-1,20,1);a.B=y(I,s,-1,20,1);a.K=y(aE,m,-1,20,1);a.N=y(aE,m,-1,20,1);a.H=Ws([20,7]);a.e=y(I,s,-1,20,1);a.d=y(gt,m,1,20,0);a.p=y(gt,m,1,20,0);a.y=y(I,s,-1,20,1);a.A=y(I,s,-1,20,1);a.I=y(I,s,-1,20,1);a.J=y(I,s,-1,20,1);a.t=y(I,s,-1,20,1);a.C=y(I,s,-1,20,1);a.L=y(I,s,-1,20,1);a.O=y(I,s,-1,20,1);a.f=y(gt,m,1,20,0);a.r=Ws([10,2]);a.j=y(I,s,-1,101,1)}
|
|
398
|
+
function GH(a,b,c,d){var e,f,g,j,h,n,o,q,r;h=y(I,s,-1,4,1);f=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(f*f+g*g);0.001>o&&(o=0.001);r=g/o;e=f/o;n=y(I,s,-1,4,1);for(j=0;4>j;++j)d[j]==c||0>=d[j]||(0==n[1]?n[1]=d[j]:0==n[2]?n[2]=d[j]:0==n[3]&&(n[3]=d[j]));q=y(aE,m,-1,4,1);d=y(aE,m,-1,4,1);for(j=1;3>=j;++j)3==j&&0==n[3]||(f=(a.K[n[j]]-a.K[b])*e+(a.N[n[j]]-a.N[b])*r,g=(a.N[n[j]]-a.N[b])*e-(a.K[n[j]]-a.K[b])*r,o=Math.sqrt(f*f+g*g),0.001>o&&(o=0.001),q[j]=g/o,d[j]=f/o);a=HH(q[1],d[1],q[2],d[2]);0<n[3]?(b=
|
|
399
|
+
HH(q[2],d[2],q[3],d[3]),d=HH(q[1],d[1],q[3],d[3]),0<a&&0<b?(h[1]=n[1],h[2]=n[2],h[3]=n[3]):0<d&&0>b?(h[1]=n[1],h[2]=n[3],h[3]=n[2]):0>a&&0<d?(h[1]=n[2],h[2]=n[1],h[3]=n[3]):0<b&&0>d?(h[1]=n[2],h[2]=n[3],h[3]=n[1]):0>d&&0<a?(h[1]=n[3],h[2]=n[1],h[3]=n[2]):0>b&&0>a&&(h[1]=n[3],h[2]=n[2],h[3]=n[1])):0<a?(h[1]=n[1],h[2]=n[2]):(h[1]=n[2],h[2]=n[1]);h[0]=c;return h}
|
|
400
|
+
function Y(a,b){var c,d,e,f,g,j,h,n;pF(a);switch(a.A[a.E]){case 0:a.K[a.u]=a.K[a.E]+21.65*a.o.C;a.N[a.u]=a.N[a.E]+12.5*a.o.C;break;case 1:c=a.H[a.E][1];d=0;2==a.A[c]&&(a.H[c][1]==a.E?d=a.H[c][2]:d=a.H[c][1]);e=a.K[a.E]-a.K[c];f=a.N[a.E]-a.N[c];j=Math.sqrt(e*e+f*f);0.001>j&&(j=0.001);f/=j;e/=j;h=j+25*a.o.C*Math.cos(1.0471975511965976);n=25*a.o.C*Math.sin(1.0471975511965976);g=IH(a,a.E,c);if(3==a.t[g]||204==a.o.d||1!=a.t[g]&&(203==a.o.d||204==a.o.d)||a.q)h=j+25*a.o.C,n=0;0<d&&0<(a.N[d]-a.N[c])*e-(a.K[d]-
|
|
401
|
+
a.K[c])*f&&(n=-n);0<b&&0>n?n=-n:0>b&&0<n&&(n=-n);a.K[a.u]=a.K[c]+h*e-n*f;a.N[a.u]=a.N[c]+n*e+h*f;break;case 2:c=y(aE,m,-1,2,1);JH(a,a.E,25*a.o.C,c);a.K[a.u]=c[0];a.N[a.u]=c[1];break;case 3:case 4:case 5:for(g=1;g<=a.A[a.E]&&!(c=a.H[a.E][g],e=a.K[a.E]-a.K[c],f=a.N[a.E]-a.N[c],j=Math.sqrt(e*e+f*f),0.001>j&&(j=0.001),a.K[a.u]=a.K[a.E]+25*a.o.C*e/j,a.N[a.u]=a.N[a.E]+25*a.o.C*f/j,0==sF(a,a.u)||g==a.A[a.E]);++g);break;default:--a.u;xr(a.o,"Are you trying to draw an hedgehog ?");a.o.P=9;return}a.A[a.u]=
|
|
402
|
+
1;++a.A[a.E];wF(a);a.t[a.v]=1;203==a.o.d&&(a.t[a.v]=2);204==a.o.d&&(a.t[a.v]=3);a.I[a.v]=a.E;a.J[a.v]=a.u;201==a.o.d&&oF(a,a.v);a.H[a.u][1]=a.E;a.H[a.E][a.A[a.E]]=a.u;a.L[a.v]=N(M(yE((a.K[a.E]+a.K[a.u])/2)));a.O[a.v]=N(M(yE((a.N[a.E]+a.N[a.u])/2)));a.M=a.K[a.u];a.P=a.N[a.u]}
|
|
403
|
+
function mF(a,b){var c;a.G=a.E;c=0;if(233==a.o.d||237==a.o.d||236==a.o.d||239==a.o.d||251==a.o.d||252==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.q=!1,a.E=a.u-1,Y(a,0),a.E=a.u-2,Y(a,0),237==a.o.d&&(a.c[a.u]=10,a.c[a.u-1]=10,a.c[a.u-2]=10),236==a.o.d&&(a.c[a.u]=9,a.c[a.u-1]=9,a.c[a.u-2]=9),239==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-2]=5,a.c[a.u-3]=8,a.t[a.v]=2,a.t[a.v-1]=2),252==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-2]=4,a.c[a.u-3]=8,a.t[a.v]=2,a.t[a.v-1]=2),251==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-
|
|
404
|
+
2]=5,a.c[a.u-3]=7,a.t[a.v]=2),c=4;else if(244==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,Y(a,0),a.c[a.u]=8,a.E=a.u,a.q=!0,Y(a,0),a.q=!1,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-2,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=5;else if(234==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,a.o.zb&&kF(a,a.E,1),Y(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.o.zb?(a.t[a.v]=1,kF(a,a.u,-1)):a.t[a.v]=2,c=3;else if(235==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.c[a.u]=5,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(240==a.o.d)Y(a,0),a.E=
|
|
405
|
+
a.u,Y(a,0),a.c[a.u]=5,a.E=a.u,Y(a,0),a.E=a.u-2,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=4;else if(260==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.c[a.u]=4,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(261==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(241==a.o.d)Y(a,0),a.c[a.u]=5,a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),a.E=a.u-1,Y(a,0),a.t[a.v]=2,a.c[a.u]=5,c=4;else if(243==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,Y(a,0),a.E=a.u-1,Y(a,0),c=3;else if(238==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.t[a.v]=
|
|
406
|
+
3,a.q=!1,c=2;else if(249==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.t[a.v]=2,a.c[a.u]=5,c=2;else if(250==a.o.d)Y(a,0),a.t[a.v]=2,a.c[a.u]=5,c=1;else if(245==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.E=a.u,a.t[a.v]=3,Y(a,0),a.q=!1,c=3;else if(242==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.t[a.v]=3,a.c[a.u]=4,a.q=!1,c=2;else if(254==a.o.d)Y(a,0),a.c[a.u]=9,c=1;else if(255==a.o.d)Y(a,0),a.c[a.u]=10,c=1;else if(256==a.o.d)Y(a,0),a.c[a.u]=11,c=1;else if(257==a.o.d)Y(a,0),a.c[a.u]=12,c=1;else if(258==a.o.d)Y(a,0),a.c[a.u]=4,
|
|
407
|
+
c=1;else if(259==a.o.d)Y(a,0),a.c[a.u]=5,c=1;else if(246==a.o.d)Y(a,0),a.E=a.u,Y(a,0),c=2;else if(247==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),c=3;else if(248==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),c=4;else if(253==a.o.d){var d,e,f,g,j,h,n,o,q,r,u;if(a.o.Qb){c=0;o=a.o.Qb;for(n=1;n<=o.z;++n)d=o.r[n][0],1==o.r[n][1]&&(c=d);d=a.u;n=a.E;Y(a,0);e=a.K[a.u];g=a.N[a.u];aF(a,a.u);e=a.K[n]-e;g=a.N[n]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=o.u;++h)pF(a),a.c[a.u]=o.c[h],a.B[a.u]=o.B[h],
|
|
408
|
+
a.y[a.u]=o.y[h],a.K[a.u]=o.K[h],a.N[a.u]=o.N[h];for(h=1;h<=o.v;++h)wF(a),a.I[a.v]=o.I[h]+d,a.J[a.v]=o.J[h]+d,a.t[a.v]=o.t[h];$E(a);a.E=c+d;Y(a,0);o=a.K[a.u];r=a.N[a.u];aF(a,a.u);f=a.K[c+d]-o;j=a.N[c+d]-r;h=Math.sqrt(f*f+j*j);j/=h;f/=h;for(h=d+1;h<=a.u;++h)a.K[h]-=o,a.N[h]-=r,q=a.K[h]*f+a.N[h]*j,u=a.N[h]*f-a.K[h]*j,a.K[h]=q,a.N[h]=u,q=-a.K[h]*e+a.N[h]*g,u=-a.N[h]*e-a.K[h]*g,a.K[h]=q,a.N[h]=u,a.K[h]+=a.K[n],a.N[h]+=a.N[n];wF(a);a.I[a.v]=n;a.J[a.v]=c+d;$E(a);b&&(aF(a,n),cE(a))}c=4}KH(a,c);a.E=a.G;b&&
|
|
409
|
+
(a.E=0)}
|
|
410
|
+
function JH(a,b,c,d){var e,f,g,j,h;e=a.H[b][1];f=a.H[b][2];g=a.K[f]-a.K[e];j=-(a.N[f]-a.N[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j?0-((a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j):(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j)?(g=a.K[b]-a.K[e],j=a.N[b]-a.N[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.K[e]+h*g-c*j,d[1]=a.N[e]+c*g+h*j):(g=(a.K[e]+a.K[f])/2,e=(a.N[e]+a.N[f])/2,g=a.K[b]-g,j=a.N[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.K[b]+
|
|
411
|
+
c*g/h,d[1]=a.N[b]+c*j/h)}
|
|
412
|
+
function lF(a){var b,c,d,e,f,g,j,h,n,o,q,r,u;n=-1;j=6;switch(a.o.d){case 206:j=3;break;case 207:j=4;break;case 208:case 221:case 223:j=5;break;case 210:case 209:j=6;break;case 211:j=7;break;case 212:j=8;break;case 229:j=9}f=6.283185307179586/j;h=625*a.o.C*a.o.C/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.E)if(2>a.A[a.E])LH(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,Y(a,0),a.E=a.u,LH(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){xr(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
|
|
413
|
+
return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[IH(a,a.E,a.H[a.E][d])],2<d||1!=b){xr(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(aE,m,-1,2,1);JH(a,a.E,h,b);e=a.K[a.E]-b[0];g=a.N[a.E]-b[1];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;for(d=1;d<=j;++d)pF(a),q=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(q)*e-Math.cos(q)*g),a.N[a.u]=b[1]+h*(Math.cos(q)*e+Math.sin(q)*g)}else if(0<a.F){b=a.I[a.F];c=a.J[a.F];d=0;2==a.A[b]?a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]:2==a.A[c]&&(a.H[c][1]!=
|
|
414
|
+
b?d=a.H[c][1]:d=a.H[c][2],o=b,b=c,c=o);0==d&&(a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]);e=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;q=o/2;u=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.N[d]-a.N[b])*e-(a.K[d]-a.K[b])*g&&(u=-u,o=0);r=a.K[b]+q*e-u*g;u=a.N[b]+u*e+q*g;for(d=1;d<=j;++d)pF(a),q=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=r+h*(Math.sin(q)*e-Math.cos(q)*g),a.N[a.u]=u+h*(Math.cos(q)*e+Math.sin(q)*g),1==o?(d==j&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j-1&&(a.K[a.u]=
|
|
415
|
+
a.K[c],a.N[a.u]=a.N[c])):(d==j-1&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j&&(a.K[a.u]=a.K[c],a.N[a.u]=a.N[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)pF(a),q=f*(d-b),a.K[a.u]=a.M+h*Math.sin(q),a.N[a.u]=a.P+h*Math.cos(q)}b=j;h=0;for(f=1;f<=b;++f)wF(a),a.t[a.v]=1,h=a.u-b+f,a.A[h]=2,a.I[a.v]=h,a.J[a.v]=h+1;a.J[a.v]=a.u-b+1;if(209==a.o.d){if(a.t[a.v-4]=2,a.t[a.v-2]=2,a.t[a.v]=2,0<a.F)if(1==a.t[a.F]){if(b=0,1<a.A[a.I[a.F]]&&(b=a.H[a.I[a.F]][1],h=a.I[a.F],b==a.J[a.F]&&(b=a.H[a.I[a.F]][2])),0==b&&1<a.A[a.J[a.F]]&&
|
|
416
|
+
(b=a.H[a.J[a.F]][1],h=a.J[a.F],b==a.J[a.F]&&(b=a.H[a.J[a.F]][2])),0<b)for(f=1;f<=a.v;++f)if(a.I[f]==b&&a.J[f]==h||a.I[f]==h&&a.J[f]==b){1!=a.t[f]&&(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=3);break}}else a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=2}else if(221==a.o.d||223==a.o.d)if(0<a.F){if(1==a.t[a.F]){b=!1;for(f=1;f<=a.A[a.I[a.F]];++f)if(h=a.H[a.I[a.F]][f],1<a.t[IH(a,a.I[a.F],h)]){b=!0;break}for(f=1;f<=a.A[a.J[a.F]];++f)if(h=a.H[a.J[a.F]][f],
|
|
417
|
+
1<a.t[IH(a,a.J[a.F],h)]){b=!0;break}b||(a.t[a.F]=2)}a.t[a.v-4]=2;a.c[a.u-2]=5}else 0<a.E?221==a.o.d?(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v-1]=1,a.t[a.v-3]=2,a.t[a.v]=2,a.c[a.u-1]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5);h=y(I,s,-1,a.u+1,1);for(f=1;f<=j;++f)b=a.u-j+f,c=a.v-j+f,a.H[b][1]=b-1,a.H[b][2]=b+1,b=a.I[c],e=a.J[c],a.L[c]=N(M(yE((a.K[b]+a.K[e])/2))),a.O[c]=N(M(yE((a.N[b]+a.N[e])/
|
|
418
|
+
2)));a.H[a.u-j+1][1]=a.u;a.H[a.u][2]=a.u-j+1;for(f=a.u-j+1;f<=a.u;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.u-j;++b)e=a.K[f]-a.K[b],d=a.N[f]-a.N[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.E||c==a.E)&&(h[f]=c)}g=a.v-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.I[f],e=a.J[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.I[c]==h[b]&&a.J[c]==h[e]||a.J[c]==h[b]&&a.I[c]==h[e])continue a;wF(a);a.t[a.v]=a.t[f];a.I[a.v]=h[b];a.H[h[b]][++a.A[h[b]]]=h[e];a.J[a.v]=h[e];a.H[h[e]][++a.A[h[e]]]=h[b];a.L[a.v]=N(M(yE((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
|
|
419
|
+
2)));a.O[a.v]=N(M(yE((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(wF(a),a.t[a.v]=a.t[f],a.I[a.v]=h[b],a.H[h[b]][++a.A[h[b]]]=e,a.J[a.v]=e,a.H[e][++a.A[e]]=h[b],a.L[a.v]=N(M(yE((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=N(M(yE((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(wF(a),a.t[a.v]=a.t[f],a.I[a.v]=h[e],a.H[h[e]][++a.A[h[e]]]=b,a.J[a.v]=b,a.H[b][++a.A[b]]=h[e],a.L[a.v]=N(M(yE((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=N(M(yE((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2))));d=a.u-j;for(f=a.u;f>d;--f)if(0<
|
|
420
|
+
h[f]&&(aF(a,f),3==a.c[h[f]])){o=0;for(b=1;b<=a.A[h[f]];++b){e=a.H[h[f]][b];for(c=1;c<=a.v;++c)(a.I[c]==h[f]&&a.J[c]==e||a.I[c]==e&&a.J[c]==h[f])&&(o+=a.t[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.t[c]=1}0<a.E&&KH(a,j);-1<n&&(a.E=n)}
|
|
421
|
+
function LH(a,b,c,d){var e,f,g,j,h,n;0==a.A[a.E]?(e=0,f=1):(e=a.H[a.E][1],f=a.K[a.E]-a.K[e],e=a.N[a.E]-a.N[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.K[a.E]+d*f;n=a.N[a.E]+d*e;for(g=1;g<=b;++g)pF(a),j=c*g-1.5707963267948966,a.K[a.u]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.N[a.u]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function KH(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=sF(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
|
|
422
|
+
function IH(a,b,c){var d;for(d=1;d<=a.v;++d)if(a.I[d]==b&&a.J[d]==c||a.I[d]==c&&a.J[d]==b)return d;return 0}function MH(a,b,c){var d,e,f,g;e=nh;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(Zt(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)Zt(c[d])&&!Nt(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)Tt(c[d],e)&&(b[d]=g,c[d]=nh,++f);if(f==a.u)break}return g==a.u}
|
|
423
|
+
function cE(a){var b,c,d;b=y(aE,m,-1,4,1);d=c=0;a.o&&a.o.D&&0<a.o.D.c&&(c=a.o.D.c-a.o.Z,d=a.o.D.b-3*a.o.Z);if(0>=c||0>=d)a.x=!0;else{bE(a,b);c=~~(c/2)-N(M(Math.round(b[0])));d=~~(d/2)-N(M(Math.round(b[1])));if(!a.o.rb)for(b=1;b<=a.u;++b)a.K[b]+=c,a.N[b]+=d;dE(a)}}
|
|
424
|
+
function bE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.u;++c)a.K[c]<f&&(f=a.K[c]),a.K[c]>d&&(d=a.K[c]),a.N[c]<g&&(g=a.N[c]),a.N[c]>e&&(e=a.N[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
|
|
425
|
+
function kF(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=NH(a,b),-1==d&&0==c&&(0==a.B[b]?a.B[b]=1:1==a.B[b]?a.B[b]=-1:-1==a.B[b]&&(a.B[b]=0)),a.c[b]){case 2:2<d&&xr(a.o,"Charge change not possible on this boron !");0==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0);break;case 3:3<d?xr(a.o,"Charge change not possible on this carbon !"):4>d&&(0==a.B[b]?a.B[b]=-1:-1==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0));break;case 4:case 7:3<d?xr(a.o,"Charge change not possible on multibonded N or P !"):
|
|
426
|
+
3==d&&0==a.B[b]?a.B[b]=1:3==d&&1==a.B[b]?a.B[b]=0:3>d&&0==a.B[b]?a.B[b]=1:3>d&&1==a.B[b]?a.B[b]=-1:3>d&&-1==a.B[b]&&(a.B[b]=0);break;case 5:case 8:case 13:2<d?xr(a.o,"Charge change not possible on multibonded O or S !"):2==d&&0==a.B[b]?a.B[b]=1:2==d&&1==a.B[b]?a.B[b]=0:2>d&&0==a.B[b]?a.B[b]=-1:2>d&&-1==a.B[b]?a.B[b]=1:2>d&&1==a.B[b]&&(a.B[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.B[b]?a.B[b]=-1:0==d&&-1==a.B[b]?a.B[b]=0:xr(a.o,"Charge change not possible on the halogen !");break;case 18:xr(a.o,
|
|
427
|
+
"Use X button to change charge on the X atom !")}}
|
|
428
|
+
function NE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(I,s,-1,a.u+1,1);;){for(e=1;e<=a.u;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=y(I,s,-1,f+1,1);for(c=1;c<=a.u;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.u;1<=c;--c)a.b[c]!=d&&aF(a,c);cE(a);xr(a.o,"Smaller part(s) removed !");return 1}
|
|
429
|
+
function sF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.u;++e)b!=e&&(c=a.K[b]-a.K[e],d=a.N[b]-a.N[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
|
|
430
|
+
function xF(a){var b,c,d;for(d=1;d<=a.v;++d){b=a.I[d];c=a.J[d];if(1==a.B[b]&&-1==a.B[c]||-1==a.B[b]&&1==a.B[c])if(1==a.t[d]||2==a.t[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.o.zb)continue;if(1==a.c[b]||1==a.c[c])continue;if(2==a.c[b]||2==a.c[c])continue;if(9==a.c[b]||10==a.c[b]||11==a.c[b]||12==a.c[b]||9==a.c[c]||10==a.c[c]||11==a.c[c]||12==a.c[c])continue;a.B[b]=0;a.B[c]=0;++a.t[d];cF(a)}1==a.B[b]&&1==a.B[c]&&(2==a.t[d]?a.t[d]=1:3==a.t[d]&&(a.t[d]=2),cF(a));4==a.t[d]&&(a.t[d]=1)}}
|
|
431
|
+
function HH(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function $E(a){var b;OH(a);b=a.t.length;a.L=y(I,s,-1,b,1);a.O=y(I,s,-1,b,1);dE(a);cF(a)}
|
|
432
|
+
function pF(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(I,s,-1,c,1),bH(a.c,b,a.c.length),a.c=b,b=y(I,s,-1,c,1),bH(a.B,b,a.B.length),a.B=b,b=y(I,s,-1,c,1),bH(a.y,b,a.y.length),a.y=b,b=y(I,s,-1,c,1),bH(a.e,b,a.e.length),a.e=b,b=y(gt,m,1,c,0),bH(a.d,b,a.d.length),a.d=b,b=y(gt,m,1,c,0),bH(a.p,b,a.p.length),a.p=b,b=y(aE,m,-1,c,1),bH(a.K,b,a.K.length),a.K=b,b=y(aE,m,-1,c,1),bH(a.N,b,a.N.length),a.N=b,b=Ws([c,7]),bH(a.H,b,a.H.length),a.H=b,c=y(I,s,-1,c,1),bH(a.A,c,a.A.length),a.A=c);a.c[a.u]=
|
|
433
|
+
3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function DE(a,b,c,d,e,f,g){var j;j=N(M(yE(a.K[c]-d/2)));g||(j-=e-d);a=N(M(yE(a.N[c]-~~(f/2))));return new Vz(j-1-b,a-b,e+1+2*b,f+2*b)}
|
|
434
|
+
function wF(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(I,s,-1,b,1),bH(a.I,c,a.I.length),a.I=c,c=y(I,s,-1,b,1),bH(a.J,c,a.J.length),a.J=c,c=y(I,s,-1,b,1),bH(a.t,c,a.t.length),a.t=c,c=y(I,s,-1,b,1),bH(a.C,c,a.C.length),a.C=c,c=y(I,s,-1,b,1),bH(a.L,c,a.L.length),a.L=c,c=y(I,s,-1,b,1),bH(a.O,c,a.O.length),a.O=c,b=y(gt,m,1,b,0),bH(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
|
|
435
|
+
function fF(a,b){var c,d,e,f,g,j,h;if(0==a.u)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(zD(),aa);j+="JME 2013-10-12 "+new pH+"\n \n";j+=eF(a.u,3)+eF(a.v,3);j+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.u;++e)a.N[e]>g&&(g=a.N[e]),a.K[e]<c&&(c=a.K[e]);for(e=1;e<=a.u;++e){j+=CF(0.055999999999999994*(a.K[e]-c),10,4)+CF(0.055999999999999994*(g-a.N[e]),10,4)+CF(0,10,4);h=CE(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
|
|
436
|
+
j+=ba+h;d=0;0<a.B[e]&&4>a.B[e]?d=4-a.B[e]:0>a.B[e]&&-4<a.B[e]&&(d=4-a.B[e]);h=" 0"+eF(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.z;++d)if(a.r[d][0]==e){f=a.r[d][1];break}-1<f?h+=eF(f,3):h+=" 0";j+=h+" 0 0\n"}for(e=1;e<=a.v;++e)g=a.t[e],1==a.t[e]?g=1:PH(a,e)&&(g=2),c=eF(a.I[e],3)+eF(a.J[e],3),d=0,1==a.t[e]&&1==a.C[e]?d=1:1==a.t[e]&&2==a.C[e]&&(d=6),1==a.t[e]&&3==a.C[e]&&(d=1,c=eF(a.J[e],3)+eF(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=eF(a.J[e],3)+eF(a.I[e],3)),j+=c+eF(g,3)+eF(d,3)+" 0 0 0\n";
|
|
437
|
+
for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M CHG 1"+eF(e,4)+eF(a.B[e],4)+aa);return j+"M END\n"}
|
|
438
|
+
function EF(a){var b,c,d,e,f,g,j,h,n,o,q,r,u,v,D,E,J,Q,sb,V,L,fa,Kc,ig,xb,Rd,Sd,Td,Wa,Lc;q=y(I,s,-1,a.u+10,1);r=y(I,s,-1,a.u+10,1);n=y(I,s,-1,a.u+1,1);o=y(I,s,-1,7,1);xb=y(I,s,-1,a.u+1,1);v=y(QH,m,-1,a.u+1,2);D=y(QH,m,-1,a.v+1,2);fa=0;if(0==a.u)return l;NE(a,!0);ig=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){ig=!1;break}if(a.o.t&&ig){RH(a);xF(a);SH(a,D);TH(a,v,D);var Ib,zd,lf,dc,Fe,Ad,Bd,fb,VI,Zd,w,ya,$m,an,wt,rf,Pa,bn,cn,Oc,dn;Ib=y(I,s,-1,a.u+1,1);zd=y(I,s,-1,a.u+1,1);fb=y(UH,m,-1,a.u+1,3);var xt=a.u,en,
|
|
439
|
+
Bh,yt,ug,Lj,Me,sf;Lj=y(UH,m,-1,xt+2,3);Me=y(I,s,-1,100,1);sf=5;ug=0;Me[0]=3;Lj[1]=ph;Lj[2]=qh;yt=2;if(!(3>xt))for(;sf<Me[ug]*Me[ug];){Bh=0;for(en=!0;en&&Bh<=ug&&sf>=Me[Bh]*Me[Bh];)0==sf%Me[Bh]?en=!1:++Bh;if(en){Lj[++yt]=Wt(sf);if(yt>=xt)break;ug<Me.length-1&&(++ug,Me[ug]=sf)}sf+=2}for(w=1;w<=a.u;++w){for(ya=cn=1;ya<=a.v;++ya)(a.I[ya]==w||a.J[ya]==w)&&(cn*=a.i[ya]);bn=a.c[w];18==bn&&(dn=a.p[w],Ad=dn.charCodeAt(0)-65+1,Bd=0,1<dn.length&&(Bd=dn.charCodeAt(1)-97),0>Ad&&(Ad=0),0>Bd&&(Bd=0),bn=28*Ad+Bd);
|
|
440
|
+
rf=0;-2>a.B[w]?rf=1:-2==a.B[w]?rf=2:-1==a.B[w]?rf=3:1==a.B[w]?rf=4:2==a.B[w]?rf=5:2<a.B[w]&&(rf=6);Oc=1;fb[w]=Wt(cn);Oc*=126;fb[w]=Rt(fb[w],Wt(a.y[w]*Oc));Oc*=7;fb[w]=Rt(fb[w],Wt(rf*Oc));Oc*=7;fb[w]=Rt(fb[w],Wt(bn*Oc));Oc*=783;fb[w]=Rt(fb[w],Wt(a.A[w]*Oc))}for(Fe=0;!MH(a,Ib,fb);){wt=!1;for(w=1;w<=a.u;++w)Ib[w]!=zd[w]&&(zd[w]=Ib[w],wt=!0);if(wt){for(w=1;w<=a.u;++w){fb[w]=oh;for(ya=1;ya<=a.A[w];++ya)fb[w]=$t(fb[w],Lj[Ib[a.H[w][ya]]])}Fe=0}else if(0<Fe){for(w=1;w<=a.u;++w)fb[w]=oh;w=1;a:for(;w<=a.u-
|
|
441
|
+
1;++w)for(ya=w+1;ya<=a.u;++ya)if(Ib[w]==Ib[ya]){fb[w]=ph;break a}}else{for(w=1;w<=a.u;++w){fb[w]=oh;for(ya=1;ya<=a.A[w];++ya)lf=a.H[w][ya],fb[w]=$t(fb[w],Wt(a.c[lf]*a.i[IH(a,w,lf)]))}Fe=1}MH(a,Ib,fb);for(w=1;w<=a.u;++w)fb[w]=Wt(zd[w]*a.u+Ib[w])}for(w=1;w<=a.u;++w)zd[w]=Ib[w];for(Pa=1;Pa<=a.u;++Pa)for(w=1;w<=a.u;++w)if(zd[w]==Pa){a.c[0]=a.c[w];a.B[0]=a.B[w];a.K[0]=a.K[w];a.N[0]=a.N[w];a.A[0]=a.A[w];a.c[w]=a.c[Pa];a.B[w]=a.B[Pa];a.K[w]=a.K[Pa];a.N[w]=a.N[Pa];a.A[w]=a.A[Pa];a.c[Pa]=a.c[0];a.B[Pa]=a.B[0];
|
|
442
|
+
a.K[Pa]=a.K[0];a.N[Pa]=a.N[0];a.A[Pa]=a.A[0];zd[w]=zd[Pa];zd[Pa]=Pa;a.p[0]=a.p[w];a.p[w]=a.p[Pa];a.p[Pa]=a.p[0];a.e[0]=a.e[w];a.e[w]=a.e[Pa];a.e[Pa]=a.e[0];a.d[0]=a.d[w];a.d[w]=a.d[Pa];a.d[Pa]=a.d[0];a.y[0]=a.y[w];a.y[w]=a.y[Pa];a.y[Pa]=a.y[0];break}for(w=1;w<=a.z;++w)a.r[w][0]=Ib[a.r[w][0]];for(w=1;w<=a.v;++w)a.I[w]=Ib[a.I[w]],a.J[w]=Ib[a.J[w]],a.I[w]>a.J[w]&&(Zd=a.I[w],a.I[w]=a.J[w],a.J[w]=Zd,1==a.C[w]?a.C[w]=3:2==a.C[w]?a.C[w]=4:3==a.C[w]?a.C[w]=1:4==a.C[w]&&(a.C[w]=2));for(w=1;w<a.v;++w){an=$m=
|
|
443
|
+
a.u;dc=0;for(ya=w;ya<=a.v;++ya)a.I[ya]<$m?($m=a.I[ya],an=a.J[ya],dc=ya):a.I[ya]==$m&&a.J[ya]<an&&(an=a.J[ya],dc=ya);Zd=a.I[w];a.I[w]=a.I[dc];a.I[dc]=Zd;Zd=a.J[w];a.J[w]=a.J[dc];a.J[dc]=Zd;Zd=a.t[w];a.t[w]=a.t[dc];a.t[dc]=Zd;Zd=a.C[w];a.C[w]=a.C[dc];a.C[dc]=Zd;VI=a.f[w];a.f[w]=a.f[dc];a.f[dc]=VI}$E(a);cF(a);SH(a,D);TH(a,v,D)}else{SH(a,D);a.i=y(I,s,-1,a.v+1,1);for(u=1;u<=a.v;++u)a.i[u]=a.t[u]}c=1;a.b=y(I,s,-1,a.u+1,1);Lc=1;a.b[1]=1;for(V=0;;){L=0;for(u=1;u<=a.A[c];++u)if(g=a.H[c][u],0<a.b[g]){if(!(a.b[g]>
|
|
444
|
+
a.b[c])&&g!=xb[c]){Kc=!0;for(J=1;J<=fa;++J)if(q[J]==c&&r[J]==g||q[J]==g&&r[J]==c){Kc=!1;break}Kc&&(++fa,q[fa]=c,r[fa]=g)}}else o[++L]=g;if(0==L){if(Lc==a.u)break;c=n[V--]}else if(1==L)xb[o[1]]=c,c=o[1],a.b[c]=++Lc;else{n[++V]=c;e=0;for(u=1;u<=L;++u)if(h=IH(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=L;++u)if(h=IH(a,o[u],c),2==a.i[h]||3==a.i[h]){e=o[u];break}0==e&&(e=o[1]);xb[e]=c;c=e;a.b[e]=++Lc}}xb=y(I,s,-1,a.u+1,1);b=y(I,s,-1,a.u+1,1);Q=y(QH,m,-1,a.u+1,2);Rd=y(QH,m,-1,a.u+1,2);f=Lc=V=0;for(u=
|
|
445
|
+
1;u<=a.u;++u)if(1==a.b[u]){c=u;break}a:for(;;){0<f&&(xb[c]=f);b[++Lc]=c;for(a.b[c]=0;;){L=e=0;sb=a.u+1;u=1;b:for(;u<=a.A[c];++u){g=a.H[c][u];for(E=1;E<=fa;++E)if(q[E]==g&&r[E]==c||q[E]==c&&r[E]==g)continue b;0<a.b[g]&&(++L,a.b[g]<sb&&(e=g,sb=a.b[g]))}if(0==e){if(0==V)break a;Rd[c]=!0;c=n[V--]}else break}f=c;c=e;1<L&&(n[++V]=f,Q[e]=!0)}Sd=y(I,s,-1,a.v+1,1);Td=y(I,s,-1,a.u+1,1);if(a.o.Pb){var XI=xb,lN=fa,zt,YI,Ch,Ne,At,Bt,Oa,Mj,Ct;Ch=y(I,s,-1,a.u+1,1);for(Oa=1;Oa<=a.u;++Oa)Ch[b[Oa]]=Oa;At=y(QH,m,-1,
|
|
446
|
+
a.v+1,2);for(Oa=1;Oa<=a.u;++Oa)zt=b[Oa],YI=XI[zt],Ne=IH(a,zt,YI),0!=Ne&&(VH(a,Ne,Ch,Sd,D),At[Ne]=!0);for(Oa=1;Oa<=a.v;++Oa)At[Oa]||VH(a,Oa,Ch,Sd,D);Oa=1;a:for(;Oa<=a.u;++Oa)if(!(2>a.A[Oa]||4<a.A[Oa])){Bt=Ct=0;for(Mj=1;Mj<=a.A[Oa];++Mj){Ne=IH(a,Oa,a.H[Oa][Mj]);if(5==a.i[Ne])continue a;1==a.t[Ne]&&0!=WH(a,Ne,Oa)&&++Ct;2==a.t[Ne]&&(Bt=a.H[Oa][Mj])}if(0!=Ct)if(0<Bt){var ka=a,$I=Oa,tf=Ch,bd=Td,tc=void 0,Nj=void 0,Pc=void 0,Oe=void 0,Qc=void 0,fn=void 0,gn=void 0,hn=void 0,$d=void 0,cd=void 0,dd=void 0,
|
|
447
|
+
Dt=void 0,Oj=void 0,ae=void 0,Pj=void 0,Pe=void 0,Qj=void 0,Et=void 0,Rj=void 0,Qe=void 0,aJ=void 0,uf=void 0,bJ=void 0,Ft=void 0,Sj=void 0,vf=void 0,dd=1,Nj=$I,tc=y(I,s,-1,ka.u+1,1);for(tc[1]=$I;;){Dt=!1;for(cd=1;cd<=ka.A[Nj];++cd)if(Pc=ka.H[Nj][cd],!(Pc==tc[1]||Pc==tc[dd-1]))if(Oe=IH(ka,Nj,Pc),2==ka.t[Oe]&&5!=ka.i[Oe]){Nj=tc[++dd]=Pc;Dt=!0;break}if(!Dt)break}if(!(0==dd%2||2>ka.A[tc[dd]]||3<ka.A[tc[dd]])){vf=tc[1];Qc=tc[~~((dd+1)/2)];$d=tc[dd];uf=Qe=Pe=ae=0;Ft=Et=!1;for(cd=1;cd<=ka.A[vf];++cd)Pc=
|
|
448
|
+
ka.H[vf][cd],Oe=IH(ka,vf,Pc),1!=ka.t[Oe]||5==ka.i[Oe]||(0==ae?ae=Pc:Pe=Pc);0<tf[Pe]&&tf[ae]>tf[Pe]&&(fn=ae,ae=Pe,Pe=fn);Oj=ae;0==ae&&(Oj=Pe,Et=!0);for(cd=1;cd<=ka.A[$d];++cd)Pc=ka.H[$d][cd],Oe=IH(ka,$d,Pc),1!=ka.t[Oe]||5==ka.i[Oe]||(0==Qe?Qe=Pc:uf=Pc);0<tf[uf]&&tf[Qe]>tf[uf]&&(fn=Qe,Qe=uf,uf=fn);Rj=Qe;0==Qe&&(Rj=uf,Ft=!0);Pj=WH(ka,IH(ka,vf,ae),vf);Qj=WH(ka,IH(ka,vf,Pe),vf);aJ=WH(ka,IH(ka,$d,Qe),$d);bJ=WH(ka,IH(ka,$d,uf),$d);1<(0>Pj+Qj?-(Pj+Qj):Pj+Qj)||0!=aJ||0!=bJ?xr(ka.o,"Bad stereoinfo on allene !"):
|
|
449
|
+
(gn=ka.K[tc[dd-1]]-ka.K[$d],hn=ka.N[tc[dd-1]]-ka.N[$d],Sj=Math.sqrt(gn*gn+hn*hn),0.001>Sj&&(Sj=0.001),0<(ka.N[Rj]-ka.N[tc[dd-1]])*(gn/Sj)-(ka.K[Rj]-ka.K[tc[dd-1]])*(hn/Sj)?bd[Qc]=1:bd[Qc]=-1,Et&&(bd[Qc]*=-1),Ft&&(bd[Qc]*=-1),Oj==ae&&0>Pj&&(bd[Qc]*=-1),Oj==Pe&&0>Qj&&(bd[Qc]*=-1),tf[Oj]>tf[Rj]&&(bd[Qc]*=-1))}}else b:{var uc=a,vc=Oa,mN=XI,nN=Ch,oN=q,pN=r,qN=lN,jn=Td,kn=void 0,ed=void 0,Gt=void 0,Dh=void 0,Ca=void 0,Eh=void 0,Dd=void 0,Tj=void 0,be=void 0,Rb=void 0,ha=void 0,Kb=void 0,Re=void 0,ln=void 0,
|
|
450
|
+
fd=void 0,oa=void 0,mn=void 0,Kb=y(I,s,-1,4,1),ln=y(I,s,-1,4,1),Fh=uc,ce=vc,cJ=nN,Ht=mN,dJ=oN,eJ=pN,rN=qN,Lb=Kb,Uj=void 0,gd=void 0,nn=void 0,on=void 0,It=void 0,Vj=void 0,Vj=-1;0<Ht[ce]&&(Lb[++Vj]=Ht[ce]);for(gd=1;gd<=rN;++gd)dJ[gd]==ce&&(Lb[++Vj]=eJ[gd]),eJ[gd]==ce&&(Lb[++Vj]=dJ[gd]);for(gd=Vj+1;gd<Fh.A[ce];++gd){It=Fh.u+1;nn=1;c:for(;nn<=Fh.A[ce];++nn){Uj=Fh.H[ce][nn];for(on=0;on<gd;++on)if(Uj==Lb[on])continue c;cJ[Uj]<It&&(It=cJ[Uj],Lb[gd]=Uj)}}0==Ht[ce]&&0<Fh.y[ce]?(Lb[3]=Lb[2],Lb[2]=Lb[1],Lb[1]=
|
|
451
|
+
Lb[0],Lb[0]=-1):0<Fh.y[ce]&&(Lb[3]=Lb[2],Lb[2]=Lb[1],Lb[1]=-1);for(Ca=Tj=Eh=Dh=mn=Dd=Rb=0;4>Ca;++Ca)0>=Kb[Ca]||(kn=IH(uc,vc,Kb[Ca]),ln[Ca]=WH(uc,kn,vc),0<ln[Ca]?(++Rb,mn=Kb[Ca],Eh=Kb[Ca]):0>ln[Ca]?(++Dd,Dh=Kb[Ca],Eh=Kb[Ca]):Tj=Kb[Ca]);be=Rb+Dd;oa=y(I,s,-1,4,1);fd=0;if(3==uc.A[vc]){if(1==Rb&&1==Dd||3==be&&0<Rb&&0<Dd){xr(uc.o,"Error in C3H stereospecification !");break b}Re=Kb[0];1==be?Re=Eh:2==be&&(Re=Tj);ha=GH(uc,vc,Re,Kb);oa[0]=Eh;oa[1]=-1;oa[2]=ha[2];oa[3]=ha[1];0<Rb?fd=1:fd=-1}else if(4==uc.A[vc])if(1==
|
|
452
|
+
be)ha=GH(uc,vc,Eh,Kb),oa[0]=ha[0],oa[1]=ha[3],oa[2]=ha[2],oa[3]=ha[1],0<Rb?fd=1:fd=-1;else{Re=Kb[0];1<Tj&&(Re=Tj);1==Rb?Re=mn:1==Dd&&(Re=Dh);ha=GH(uc,vc,Re,Kb);ed=y(I,s,-1,4,1);for(Ca=0;4>Ca;++Ca)kn=IH(uc,vc,ha[Ca]),ed[Ca]=WH(uc,kn,vc);if(4==be){if(0==Rb||0==Dd){xr(uc.o,"Error in C4 stereospecification !");break b}if(1==Rb||1==Dd)oa[0]=ha[0],oa[1]=ha[3],oa[2]=ha[2],oa[3]=ha[1],fd=ed[0];else{for(Ca=0;4>Ca;++Ca)-1==ed[Ca]&&(ed[Ca]=0);be=2}}else if(3==be)if(3==Rb||3==Dd)oa[0]=ha[0],oa[1]=ha[3],oa[2]=
|
|
453
|
+
ha[2],oa[3]=ha[1],0<Rb?fd=-1:fd=1;else{1==Rb?Rb=Gt=1:Dd=Gt=-1;for(Ca=0;4>Ca;++Ca)ed[Ca]==Gt&&(ed[Ca]=0);be=2}if(2==be)if(1==Rb&&1==Dd)ha[1]==Dh?(ha[1]=ha[2],ha[2]=ha[3]):ha[2]==Dh&&(ha[2]=ha[3]),oa[0]=mn,oa[1]=Dh,oa[2]=ha[2],oa[3]=ha[1],fd=1;else{if(ed[0]==ed[1]||ed[1]==ed[2]){xr(uc.o,"Error in C4 stereospecification ! 2/0r");break b}0!=ed[0]?(oa[0]=ha[0],oa[1]=ha[2],oa[2]=ha[1],oa[3]=ha[3]):(oa[0]=ha[1],oa[1]=ha[3],oa[2]=ha[2],oa[3]=ha[0]);1<Rb?fd=1:fd=-1}}var X=oa,Wj=Kb,ob=void 0;Wj[0]==X[1]?(ob=
|
|
454
|
+
X[0],X[0]=X[1],X[1]=ob,ob=X[2],X[2]=X[3],X[3]=ob):Wj[0]==X[2]?(ob=X[2],X[2]=X[0],X[0]=ob,ob=X[1],X[1]=X[3],X[3]=ob):Wj[0]==X[3]&&(ob=X[3],X[3]=X[0],X[0]=ob,ob=X[1],X[1]=X[2],X[2]=ob);Wj[1]==X[2]?(ob=X[1],X[1]=X[2],X[2]=ob,ob=X[2],X[2]=X[3],X[3]=ob):Wj[1]==X[3]&&(ob=X[1],X[1]=X[3],X[3]=ob,ob=X[2],X[2]=X[3],X[3]=ob);oa[2]==Kb[2]?jn[vc]=1:oa[2]==Kb[3]?jn[vc]=-1:xr(uc.o,"Error in stereoprocessing ! - t30");jn[vc]*=fd}}}Wa=new aH;j=y(I,s,-1,a.u+1,1);for(u=1;u<=a.u;++u)j[b[u]]=u;for(u=1;u<=a.u;++u){c=b[u];
|
|
455
|
+
Q[c]&&(Wa.b.b+=ua);0<xb[u]&&XH(a,c,xb[c],Wa,Sd);var Gh=v[c],Mb=void 0,Xj=void 0,Hh=void 0,T=void 0,T=Rc,Mb=!1;0!=a.B[c]&&(Mb=!0);0!=Td[c]&&(Mb=!0);Hh=-1;for(Xj=1;Xj<=a.z;++Xj)if(a.r[Xj][0]==c){Hh=a.r[Xj][1];break}-1<Hh&&(Mb=!0);a.o.Ob&&0<a.e[c]&&(Mb=!0,Hh=1);switch(a.c[c]){case 2:T=Bb;break;case 3:Gh?T="c":T=Eb;break;case 4:Gh?(T=Hf,0<a.y[c]&&(Mb=!0)):T=ic;break;case 5:Gh?T="o":T=pc;break;case 7:Gh?(T="p",0<a.y[c]&&(Mb=!0)):T=rc;break;case 8:Gh?T=vg:T=Fc;break;case 13:Gh?T=yg:T=Hc;Mb=!0;break;case 6:T=
|
|
456
|
+
Ic;Mb=!0;break;case 9:T=Tb;break;case 10:T=Jb;break;case 11:T=Db;break;case 12:T=$b;break;case 1:T=Xb;Mb=!0;break;case 19:T=sc;Mb=!0;break;case 20:T=wc;Mb=!0;break;case 21:T=xc;Mb=!0;break;case 22:T=yc;Mb=!0;break;case 18:Mb=!0,T=a.p[c],(G(T,wa)||G(T,Yc)||G(T,wb))&&(Mb=!1)}Mb&&(T=Sc+T,1==Td[c]?T+=vb:-1==Td[c]&&(T+="@@"),1==a.y[c]?T+=Xb:1<a.y[c]&&(T+=Xb+a.y[c]),0!=a.B[c]&&(0<a.B[c]?T+=xa:T+=Ba,1<ck(a.B[c])&&(T+=ck(a.B[c]))),-1<Hh&&(T+=mb+Hh),T+=Vc);En(Wa.b,T);for(E=1;E<=fa;++E)if(q[E]==c||r[E]==c)d=
|
|
457
|
+
r[E],d==c&&(d=q[E]),j[c]<j[d]&&XH(a,q[E],r[E],Wa,Sd),9<E&&(Wa.b.b+="%"),Dn(Wa,l+(new S(E)).b);Rd[c]&&(Wa.b.b+=va)}return Wa.b.b}function DF(a){a=new OD(a);$E(a);return a}
|
|
458
|
+
function aF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],c!=b&&d!=b&&(++f,a.I[f]=c,c>b&&--a.I[f],a.J[f]=d,d>b&&--a.J[f],a.t[f]=a.t[e],a.C[f]=a.C[e],a.L[f]=a.L[e],a.O[f]=a.O[e],a.f[f]=a.f[e]);a.v=f;for(e=b;e<a.u;++e){a.c[e]=a.c[e+1];a.B[e]=a.B[e+1];a.K[e]=a.K[e+1];a.N[e]=a.N[e+1];a.y[e]=a.y[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.p[e]=a.p[e+1];for(f=1;f<=a.A[e];++f)a.H[e][f]=a.H[e+1][f]}--a.u;if(0==a.u)eE(a.o);else{for(e=1;e<=a.u;++e){d=0;for(f=1;f<=a.A[e];++f)c=a.H[e][f],
|
|
459
|
+
c==b?++a.y[e]:(c>b&&--c,a.H[e][++d]=c);a.A[e]=d}e=1;a:for(;e<=a.z;++e)if(a.r[e][0]==b){for(f=e;f<a.z;++f)a.r[f][0]=a.r[f+1][0],a.r[f][1]=a.r[f+1][1];--a.z;break a}for(e=1;e<=a.z;++e)a.r[e][0]>b&&--a.r[e][0]}}
|
|
460
|
+
function bF(a,b){var c,d,e,f;c=a.I[b];d=a.J[b];for(e=b;e<a.v;++e)a.I[e]=a.I[e+1],a.J[e]=a.J[e+1],a.t[e]=a.t[e+1],a.C[e]=a.C[e+1],a.L[e]=a.L[e+1],a.O[e]=a.O[e+1],a.f[e]=a.f[e+1];--a.v;f=0;for(e=1;e<=a.A[c];++e)a.H[c][e]!=d&&(a.H[c][++f]=a.H[c][e]);a.A[c]=f;f=0;for(e=1;e<=a.A[d];++e)a.H[d][e]!=c&&(a.H[d][++f]=a.H[d][e]);a.A[d]=f;c<d&&(f=c,c=d,d=f);0==a.A[c]&&aF(a,c);0==a.A[d]&&aF(a,d)}
|
|
461
|
+
function RH(a){var b,c,d;if(!a.o.O){c=a.u;a:for(;1<=c;--c)if(d=a.H[c][1],1==a.c[c]&&1==a.A[c]&&0==a.B[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.z;++b)if(a.r[b][0]==c)continue a;b=IH(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&aF(a,c)}}}function OH(a){var b;b=a.c.length;a.H=Ws([b,7]);a.A=y(I,s,-1,b,1);for(b=1;b<=a.u;++b)a.A[b]=0;for(b=1;b<=a.v;++b)6>a.A[a.I[b]]&&(a.H[a.I[b]][++a.A[a.I[b]]]=a.J[b]),6>a.A[a.J[b]]&&(a.H[a.J[b]][++a.A[a.J[b]]]=a.I[b])}
|
|
462
|
+
function TH(a,b,c){var d,e,f,g,j,h,n,o,q;a.i=y(I,s,-1,a.v+1,1);q=y(QH,m,-1,a.u+1,2);for(h=1;h<=a.u;++h){q[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[IH(a,h,a.H[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.A[h]+a.y[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:q[h]=!0;break;case 18:0==a.p[h].indexOf(wb)?q[h]=!1:q[h]=!0}}if(a.n){var r;d=y(QH,m,-1,a.u+1,2);e=!1;for(h=1;h<=a.v;++h)f=a.I[h],g=a.J[h],d[f]=!0,d[g]=!0,(18==a.c[f]||18==a.c[g])&&(e=!0);if(e){h=1;a:for(;h<=a.v;++h)if(c[h]){f=
|
|
463
|
+
a.I[h];g=a.J[h];e=y(QH,m,-1,a.u+1,2);for(n=1;n<=a.A[f];++n)j=a.H[f][n],j!=g&&d[j]&&(e[j]=!0);for(r=!1;;){for(n=1;n<=a.u;++n){r=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.A[n];++o){j=a.H[n][o];if(j==g){for(f=1;f<=a.u;++f)e[f]&&(5==a.c[f]&&(a.c[f]=18,a.p[f]="#8"),4==a.c[f]&&(a.c[f]=18,a.p[f]="#7"),8==a.c[f]&&(a.c[f]=18,a.p[f]="#16"));continue a}!e[j]&&d[j]&&(r=e[j]=!0)}if(r)break}if(!r)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:PH(a,j)?a.i[j]=2:3==a.t[j]&&(a.i[j]=3);j=1;a:for(;j<=a.v;++j)if(c[j]&&(f=a.I[j],
|
|
464
|
+
g=a.J[j],q[f]&&q[g])){d=y(QH,m,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&q[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&q[h]&&h!=f)for(n=1;n<=a.A[h];++n){e=a.H[h][n];if(e==g){b[f]=!0;b[g]=!0;a.i[j]=5;continue a}!d[e]&&q[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function dE(a){var b,c,d;for(d=1;d<=a.v;++d)b=a.I[d],c=a.J[d],a.L[d]=N(M(yE((a.K[b]+a.K[c])/2))),a.O[d]=N(M(yE((a.N[b]+a.N[c])/2)))}function SH(a,b){var c;for(c=1;c<=a.v;++c)EE(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
|
|
465
|
+
function CE(a,b){var c;c=(zD(),FD)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function PH(a,b){return 2==a.t[b]?!0:!1}function EE(a,b,c){var d,e,f,g;g=1;a.b=y(I,s,-1,a.u+1,1);for(d=1;d<=a.u;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.A[b];++d)a.H[b][d]!=c&&(a.b[a.H[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.u;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.A[d];++e)0==a.b[a.H[d][e]]&&(a.b[a.H[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
|
|
466
|
+
function nF(a){var b,c;a.o.S=!0;if(a.o.Ob)a.k=-1,0==a.e[a.E]?a.e[a.E]=4:a.e[a.E]=0;else{for(b=1;b<=a.z;++b)if(a.E==a.r[b][0]){if(-1==a.o.z){for(;b<a.z;++b)a.r[b][0]=a.r[b+1][0],a.r[b][1]=a.r[b+1][1];--a.z}else c=a.o.z,a.o.r&&(a.o.hb||++a.s,c=a.s),a.r[b][1]=c;return}b=a.r.length;++a.z>b-1&&(b=Ws([b+5,2]),bH(a.r,b,a.r.length),a.r=b);a.r[a.z][0]=a.E;c=a.o.z;a.o.r&&(a.o.hb||++a.s,c=a.s);a.r[a.z][1]=c}}function YE(a){var b;a.z=0;a.s=0;EF(a);for(b=1;b<=a.u;++b)a.E=b,nF(a);a.E=0}
|
|
467
|
+
function ZE(a){var b,c;b=y(aE,m,-1,4,1);bE(a,b);c=a.o.D.c;a.o.A||(c-=a.o.Z);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function VD(a,b){var c,d,e,f,g,j,h,n;c=y(aE,m,-1,4,1);bE(a,c);d=c[0];e=c[1];j=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.u;++g)h=a.K[g]*f+a.N[g]*j,n=-a.K[g]*j+a.N[g]*f,a.K[g]=h,a.N[g]=n;bE(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
|
|
468
|
+
function AF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.v;++d)b=a.K[a.I[d]]-a.K[a.J[d]],c=a.N[a.I[d]]-a.N[a.J[d]],f+=Math.sqrt(b*b+c*c);0<a.v?(f/=a.v,e=25*a.o.C/f):1<a.u&&(e=75*a.o.C/Math.sqrt((a.K[1]-a.K[2])*(a.K[1]-a.K[2])+(a.N[1]-a.N[2])*(a.N[1]-a.N[2])));for(d=1;d<=a.u;++d)a.K[d]*=e,a.N[d]*=e}
|
|
469
|
+
function dF(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Sc)&&VG(c,Vc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.p[b]=c,a.y[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(pb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Xb);g=bk(c.indexOf(xa),c.indexOf(Ba));if(-1<d){j=Kv(c,d+1);try{a.o.z=ZC(j,10)}catch(h){if(h=Wi(h),A(h,124))a.o.z=0;else throw h;}a.E=b;nF(a);c=c.substr(0,d-0);a.E=0}if(f)a.p[b]=c,a.c[b]=18,a.y[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
|
|
470
|
+
g-0));a.c[b]=G(d,Eb)?3:G(d,Bb)?2:G(d,ic)?4:G(d,pc)?5:G(d,rc)?7:G(d,Fc)?8:G(d,Tb)?9:G(d,Jb)?10:G(d,Db)?11:G(d,$b)?12:G(d,Xb)?1:G(d,Hc)?13:G(d,Ic)?6:G(d,sc)?19:G(d,wc)?20:G(d,xc)?21:G(d,yc)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=GG(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=GG(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=GG(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=GG(c,g++);for(;45==e;)--d,e=GG(c,g++)}a.B[b]=d}}}
|
|
471
|
+
function ME(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new uD(b);try{for(;b.k=nD(b,b.b),b.k<b.j;)d=KE(ZC(qD(b),10)).b,c=e=KE(ZC(qD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Wi(f),A(f,124))Bn(f);else throw f;}}function XH(a,b,c,d,e){b=IH(a,b,c);5!=a.i[b]&&PH(a,b)?d.b.b+=rb:3==a.t[b]?d.b.b+=la:9==a.t[b]?(e=ub,a=a.f[b],null!=a&&(e=a),En(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Uc)}
|
|
472
|
+
function oF(a,b){var c,d;if(1==a.t[b])if(c=a.I[b],d=a.J[b],2>a.A[c]&&2>a.A[d])a.C[b]=0,xr(a.o,"Stereomarking meaningless on this bond !");else switch(a.C[b]){case 0:a.A[d]<=a.A[c]?a.C[b]=1:a.C[b]=3;break;case 1:a.C[b]=2;break;case 2:2<a.A[d]?a.C[b]=3:a.C[b]=1;break;case 3:a.C[b]=4;break;case 4:2<a.A[c]?a.C[b]=1:a.C[b]=3}else 2==a.t[b]?10==a.C[b]?a.C[b]=0:a.C[b]=10:xr(a.o,"Stereomarking allowed only on single and double bonds!")}
|
|
473
|
+
function VH(a,b,c,d,e){var f,g,j,h,n,o,q,r,u;if(!(2!=a.t[b]||5==a.i[b])&&(10==a.C[b]||a.o.q&&!e[b]))if(e=a.I[b],f=a.J[b],!(2>a.A[e]||2>a.A[f]||3<a.A[e]||3<a.A[f])){c[e]>c[f]&&(g=e,e=f,f=g);q=o=b=0;r=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:q=g);0<q&&c[o]>c[q]&&(g=o,o=q,q=g);h=IH(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=IH(a,e,q),0!=d[h]?b=q:1==a.t[h]&&5!=a.i[h]&&(b=q));c[b]>c[e]&&(r=!0);j=q=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==q?q=g:j=g);0<j&&c[q]<c[j]&&(g=q,
|
|
474
|
+
q=j,j=g);h=IH(a,f,q);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=q);0==o&&(h=IH(a,f,j),1==a.t[h]&&5!=a.i[h]&&(o=j));if(!(0==b||0==o))if(h=a.K[f]-a.K[e],g=a.N[f]-a.N[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,q=(a.N[b]-a.N[e])*h-(a.K[b]-a.K[e])*g,u=(a.N[o]-a.N[e])*h-(a.K[o]-a.K[e])*g,2>(0>=q?0-q:q)||2>(0>=u?0-u:u))xr(a.o,"Not unique E/Z geometry !");else{j=IH(a,b,e);f=IH(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.A[b];++n)if(g=a.H[b][n],g!=e&&(h=IH(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==
|
|
475
|
+
d[f]&&(0<q&&0<u||0>q&&0>u?d[f]=-d[j]:d[f]=d[j],r&&(d[f]=-d[f]))}}}function NH(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=IH(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(PH(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function WH(a,b,c){var d;d=a.C[b];return 1>d||4<d?0:1==d&&a.I[b]==c?1:2==d&&a.I[b]==c?-1:3==d&&a.J[b]==c?1:4==d&&a.J[b]==c?-1:0}
|
|
476
|
+
function cF(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=NH(c,d);if(-1==e)c.y[d]=0;else{switch(c.c[d]){case 1:2==e?c.B[d]=1:c.B[d]=0;c.y[d]=0;break;case 2:3==e||5==e?(c.y[d]=0,c.B[d]=0):3>e?c.y[d]=3-e-c.B[d]:4==e?(c.B[d]=-1,c.y[d]=0):5<e&&(c.B[d]=e-5,c.y[d]=0);break;case 3:case 6:4>e?0<c.B[d]?c.y[d]=2-e+c.B[d]:0>c.B[d]?c.y[d]=2-e-c.B[d]:c.y[d]=4-e:(c.B[d]=e-4,c.y[d]=4-e+c.B[d]);break;case 4:case 7:3>e?c.y[d]=3-e+c.B[d]:3==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:(c.B[d]=
|
|
477
|
+
4==e?1:6==e?-1:e-5,c.y[d]=0);break;case 5:2==e&&(0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0);2<e&&(c.B[d]=e-2);c.y[d]=2-e+c.B[d];break;case 8:case 13:2>e?c.y[d]=2-e+c.B[d]:2==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:3==e?2==c.A[d]?(c.B[d]=0,c.y[d]=1):(c.B[d]=1,c.y[d]=0):4==e?(c.B[d]=0,c.y[d]=0):5==e?(c.B[d]=0,c.y[d]=1):(c.B[d]=e-6,c.y[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.B[d]=e-1);c.y[d]=1-e+c.B[d];2<e&&(c.B[d]=0,c.y[d]=0);break;case 19:case 18:c.y[d]=
|
|
478
|
+
0}0>c.y[d]&&(c.y[d]=0)}}}function fE(a){FH(this);this.o=a;this.z=this.v=this.u=0}
|
|
479
|
+
function LE(a,b){var c,d,e,f,g,j,h;fE.call(this,a);f=l;j=IE(b);if(null!=j){h=new tD(b,j,!0);for(e=1;4>=e;++e)f=JE(h,j);g=KE(ZC(no(f.substr(0,3)),10)).b;c=KE(ZC(no(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)pF(this),f=JE(h,j),this.K[e]=(new SG(PG(no(f.substr(0,10))))).b,this.N[e]=-(new SG(PG(no(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=no(f.substr(31,d-31)),dF(this,e,d),62<=f.length&&(f=no(f.substr(60,3)),0<f.length&&(f=KE(ZC(f,10)).b,0<f&&(this.E=e,a.z=f,nF(this),this.E=0)));for(e=1;e<=c;++e)wF(this),
|
|
480
|
+
f=JE(h,j),this.I[e]=KE(ZC(no(f.substr(0,3)),10)).b,this.J[e]=KE(ZC(no(f.substr(3,3)),10)).b,g=KE(ZC(no(f.substr(6,3)),10)).b,1==g?this.t[e]=1:2==g?this.t[e]=2:3==g?this.t[e]=3:this.t[e]=9,d=0,11<f.length&&(d=KE(ZC(no(f.substr(9,3)),10)).b),1==g&&1==d&&(this.t[e]=1,this.C[e]=1),1==g&&6==d&&(this.t[e]=1,this.C[e]=2);OH(this);AF(this);cE(this);for($E(this);(h.k=nD(h,h.b),h.k<h.j)&&!(null==(f=qD(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new sD(f);qD(g);qD(g);j=KE(ZC(qD(g),10)).b;
|
|
481
|
+
for(e=1;e<=j;++e)c=KE(ZC(qD(g),10)).b,this.B[c]=KE(ZC(qD(g),10)).b}if(0==f.indexOf("M APO")){g=new sD(f);qD(g);qD(g);j=KE(ZC(qD(g),10)).b;for(e=1;e<=j;++e)c=KE(ZC(qD(g),10)).b,f=KE(ZC(qD(g),10)).b,this.E=c,Y(this,0),dF(this,this.u,sc+f),this.E=0}}RH(this);$E(this)}}
|
|
482
|
+
function HF(a,b){var c,d,e,f,g;fE.call(this,a);0==b.indexOf(da)&&(b=b.substr(1,b.length-1));VG(b,da)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new sD(b);d=KE(ZC(qD(f),10)).b;e=KE(ZC(qD(f),10)).b;for(c=1;c<=d;++c)g=qD(f),pF(this),dF(this,this.u,g),this.K[c]=(new SG(PG(qD(f)))).b,this.N[c]=-(new SG(PG(qD(f)))).b;for(c=1;c<=e;++c)if(wF(this),this.I[c]=KE(ZC(qD(f),10)).b,this.J[c]=KE(ZC(qD(f),10)).b,this.t[c]=KE(ZC(qD(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
|
|
483
|
+
1,this.C[c]=2;else if(-5==this.t[c])this.t[c]=2,this.C[c]=10;else if(11==this.t[c]||12==this.t[c]||13==this.t[c]||14==this.t[c])this.C[c]=this.t[c],this.t[c]=9;OH(this);AF(this);cE(this)}catch(j){j=Wi(j);if(A(j,124)){j.Ic();this.u=0;return}throw j;}RH(this);$E(this)}}
|
|
484
|
+
function OE(a,b,c){var d,e,f;fE.call(this,a);f=y(I,s,-1,b.u+1,1);for(a=1;a<=b.u;++a)b.b[a]==c&&(pF(this),this.c[this.u]=b.c[a],this.K[this.u]=b.K[a],this.N[this.u]=b.N[a],this.B[this.u]=b.B[a],this.y[this.u]=b.y[a],this.e[this.u]=b.e[a],this.d[this.u]=b.d[a],this.p[this.u]=b.p[a],f[a]=this.u);for(a=1;a<=b.v;++a)if(d=b.I[a],e=b.J[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))wF(this),this.t[this.v]=b.t[a],this.C[this.v]=b.C[a],this.I[this.v]=f[d],this.J[this.v]=f[e],this.f[this.v]=b.f[a];for(a=
|
|
485
|
+
1;a<=b.z;++a)d=b.r[a][0],d==c&&(++this.z,this.r[this.z][0]=f[d],this.r[this.z][1]=b.r[a][1]);this.k=b.k;$E(this);cE(this)}
|
|
486
|
+
function gF(a,b,c){var d,e,f,g,j;fE.call(this,a);for(a=1;a<=c;++a)this.u+=b[a].u,this.v+=b[a].v,this.z+=b[a].z;this.c=y(I,s,-1,this.u+1,1);this.B=y(I,s,-1,this.u+1,1);this.y=y(I,s,-1,this.u+1,1);this.e=y(I,s,-1,this.u+1,1);this.d=y(gt,m,1,this.u+1,0);this.K=y(aE,m,-1,this.u+1,1);this.N=y(aE,m,-1,this.u+1,1);this.p=y(gt,m,1,this.u+1,0);this.I=y(I,s,-1,this.v+1,1);this.J=y(I,s,-1,this.v+1,1);this.t=y(I,s,-1,this.v+1,1);this.f=y(gt,m,1,this.v+1,0);this.C=y(I,s,-1,this.v+1,1);this.r=Ws([this.z+1,2]);
|
|
487
|
+
f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].u;++d)++e,this.c[e]=b[a].c[d],this.K[e]=b[a].K[d],this.N[e]=b[a].N[d],this.B[e]=b[a].B[d],this.y[e]=b[a].y[d],this.e[e]=b[a].e[d],this.d[e]=b[a].d[d],this.p[e]=b[a].p[d];for(d=1;d<=b[a].v;++d)++g,this.t[g]=b[a].t[d],this.C[g]=b[a].C[d],this.I[g]=b[a].I[d]+f,this.J[g]=b[a].J[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].z;++d)++j,this.r[j][0]=b[a].r[d][0]+f,this.r[j][1]=b[a].r[d][1];f=e}$E(this);cE(this)}
|
|
488
|
+
function OD(a){var b;FH(this);this.o=a.o;this.u=a.u;this.v=a.v;this.z=a.z;this.c=y(I,s,-1,this.u+1,1);bH(a.c,this.c,this.u+1);this.B=y(I,s,-1,this.u+1,1);bH(a.B,this.B,this.u+1);this.y=y(I,s,-1,this.u+1,1);bH(a.y,this.y,this.u+1);this.e=y(I,s,-1,this.u+1,1);bH(a.e,this.e,this.u+1);this.d=y(gt,m,1,this.u+1,0);bH(a.d,this.d,this.u+1);this.K=y(aE,m,-1,this.u+1,1);bH(a.K,this.K,this.u+1);this.N=y(aE,m,-1,this.u+1,1);bH(a.N,this.N,this.u+1);this.p=y(gt,m,1,this.u+1,0);bH(a.p,this.p,this.u+1);this.I=y(I,
|
|
489
|
+
s,-1,this.v+1,1);bH(a.I,this.I,this.v+1);this.J=y(I,s,-1,this.v+1,1);bH(a.J,this.J,this.v+1);this.t=y(I,s,-1,this.v+1,1);bH(a.t,this.t,this.v+1);this.f=y(gt,m,1,this.v+1,0);bH(a.f,this.f,this.v+1);this.C=y(I,s,-1,this.v+1,1);bH(a.C,this.C,this.v+1);this.r=Ws([this.z+1,2]);for(b=1;b<=this.z;++b)this.r[b][0]=a.r[b][0],this.r[b][1]=a.r[b][1];this.k=a.k}
|
|
490
|
+
function CF(a,b,c){var d,e,f;if(0==c)return eF(K(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=N(M(yE(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new SG(a)).b;d=oo(e,po(46));0>d&&(e+=Ya,d=oo(e,po(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=bb;if(0==b)return e;e.length>b&&(e=ub);c=l;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function IE(a){var b;b=new tD(a,aa,!0);if(4<mD(b))return aa;b=new tD(a,lh,!0);return 4<mD(b)?lh:null}
|
|
491
|
+
function eF(a,b){var c,d,e;d=l+(new S(a)).b;d.length>b&&(d=ub);e=l;for(c=1;c<=b-d.length;++c)e+=ba;return e+d}function JE(a,b){for(var c,d;a.k=nD(a,a.b),a.k<a.j;){d=qD(a);if(G(d,b))return ba;for(qD(a);;)if(c=d.charCodeAt(d.length-1),124==c||10==c||13==c){if(d=d.substr(0,d.length-1-0),0==d.length)return ba}else break;return d}return null}t(538,1,{140:1},fE,LE,HF,OE,gF,OD);_.b=null;_.i=null;_.k=0;_.n=!1;_.o=null;_.q=!1;_.s=0;_.u=0;_.v=0;_.w=0;_.x=!1;_.z=0;_.D=!1;_.E=0;_.F=0;_.G=0;_.M=0;_.P=0;
|
|
492
|
+
function yr(){yr=x;zr=new rC(Xb)}
|
|
493
|
+
function UE(a,b){var c;yr();var d;zH.call(this);this.d=new PA("Help");new PA("Home");this.e=b;O(this,(zD(),BD));this.hc&&HB(this.hc.d,!1);EB(this,!1);d=sz(b);if(1==a)this.f||(this.f=new $B(d),xH(this.f,-30,0)),this.k=this.f,c=MD(b),this.hc&&GB(this.hc.d.I.c,Gc),Zz(this,new KA(2)),this.i=new rC(c+" "),P(this,this.i,Hb),d=new cA,P(d,this.j,null),this.e.Hb&&(c=new PA("Submit"),P(d,c,null)),P(this,d,Jc),c=no(vo(this.i.hc.b.pb,dh)),tC(this.i.hc,c),this.hc&&HB(this.hc.d,!0),EB(this,!0);else if(2==a)this.c||
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494
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(this.c=new $B(d),xH(this.c,-50,13*b.Z-80)),this.k=this.c,this.hc&&GB(this.hc.d.I.c,"Nonstandard atom"),Zz(this,new KA(2)),c=new cA,P(c,new TB("atomic SMILES",1),null),P(this,c,nc),c=Xb,zr&&(c=vo(zr.hc.b.pb,dh)),zr=new sC(c,8),P(this,zr,Hb),c=new cA,P(c,this.j,null),P(this,c,Jc);else{this.b||(this.b=new $B(d),xH(this.b,5*b.Z,0));var e,f;d="About "+(zD(),MF);this.hc&&GB(this.hc.d.I.c,d);Zz(this,new PB(0));O(this,BD);P(this,new TB(MF+" Molecular Editor v2013-10-13",1),null);P(this,new TB("Peter Ertl and Bruno Bienfait",
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495
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1),null);for(c=AD,d=0,f=c.length;d<f;++d)e=c[d],e=new TB(e,1),Fz(e,this.e.y),P(this,e,null);c=new cA;P(c,this.d,null);P(c,this.j,null);P(this,c,null);this.k=this.b}DB(this);c=this.k;yH(this.hc.d,c.b,c.c);!rz(this)&&Wz(this);Gz(this)}t(539,531,ti,UE);_.Nf=function(a){var b,c;if(a.i===this.d){try{b=new TC(this.e.I),c=SC(b),$wnd.open(c,"_blank",l)}catch(d){if(d=Wi(d),A(d,112))a=this.e,b=d.i,a.lb=!0,a.K="ERROR - "+b,XD(a);else throw d;}return!0}return!1};_.b=null;_.c=null;_.e=null;_.f=null;_.i=null;var zr;
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496
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function YH(a,b){qz(b)==a.b?O(b,(VA(),dB)):O(b,a.b)}
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497
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function ZH(a){var b,c,d,e;e=l;d=!1;qz($H)!=a.b?(e=wa,d=!0):qz(aI)!=a.b?(e="!#6",d=!0):qz(bI)!=a.b?(O(cI,(VA(),dB)),O(dI,dB),O(eI,dB),O(fI,dB),e="F,Cl,Br,I"):(b=qz(gI)!=a.b,c=qz(hI)!=a.b,qz(iI)!=a.b&&(b?e+="c,":c?e+="C,":e+="#6,"),qz(jI)!=a.b&&(b?e+="n,":c?e+="N,":e+="#7,"),qz(kI)!=a.b&&(b?e+="o,":c?e+="O,":e+="#8,"),qz(lI)!=a.b&&(b?e+="s,":c?e+="S,":e+="#16,"),qz(mI)!=a.b&&(b?e+="p,":c?e+="P,":e+="#15,"),qz(cI)!=a.b&&(e+="F,"),qz(dI)!=a.b&&(e+="Cl,"),qz(eI)!=a.b&&(e+="Br,"),qz(fI)!=a.b&&(e+="I,"),
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498
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VG(e,za)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.c&&(b?e=Yc:c?e=wb:(O($H,(VA(),dB)),e=wa)));b=l;d&&qz(gI)!=a.b&&(b+=";a");d&&qz(hI)!=a.b&&(b+=";A");qz(nI)!=a.b&&(b+=";R");qz(oI)!=a.b&&(b+=";!R");qz($H)!=a.b&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=pI.hc.b.pb.selectedIndex;0<d&&(--d,e+=";H"+d);d=qI.hc.b.pb.selectedIndex;0<d&&(--d,e+=";D"+d);qz(rI)!=a.b&&(e="~");qz(sI)!=a.b&&(e=mb);qz(tI)!=a.b&&(e=vb);qz(uI)!=a.b&&(e="!@");tC(a.f.hc,e)}
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499
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function vI(a){wI(a);xI(a);var b=pI.hc.b;Yx(b,0);b.pb.options[0].selected=!0;b=qI.hc.b;Yx(b,0);b.pb.options[0].selected=!0;O(gI,a.b);O(hI,a.b);O(nI,a.b);O(oI,a.b);O(pI,a.b);O(qI,a.b);yI(a)}function wI(a){O(iI,a.b);O(jI,a.b);O(kI,a.b);O(lI,a.b);O(mI,a.b);O(cI,a.b);O(dI,a.b);O(eI,a.b);O(fI,a.b)}function xI(a){O($H,a.b);O(aI,a.b);O(bI,a.b)}function yI(a){O(rI,a.b);O(sI,a.b);O(tI,a.b);O(uI,a.b);a.c=!1}
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500
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+
function VE(a){FB.call(this,"Atom/Bond Query");this.j=new PA(this.Mf());oA(this.r,new AH(this));this.b=(zD(),BD);this.d=a;this.e||(a=sz(a),this.e=new $B(a),xH(this.e,-150,10));this.k=this.e;Zz(this,new OB);O(this,this.b);a=new cA;Zz(a,new tB(0,3,1));P(a,new SB("Atom type :"),null);$H=new PA(zb);aI=new PA("Any except C");bI=new PA("Halogen");P(a,$H,null);P(a,aI,null);P(a,bI,null);P(this,a,null);a=new cA;Zz(a,new tB(0,3,1));P(a,new TB("Or select one or more from the list :",0),null);P(this,a,null);
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501
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+
a=new cA;Zz(a,new tB(0,3,1));iI=new PA(Eb);jI=new PA(ic);kI=new PA(pc);lI=new PA(Fc);mI=new PA(rc);cI=new PA(Tb);dI=new PA(Jb);eI=new PA(Db);fI=new PA($b);P(a,iI,null);P(a,jI,null);P(a,kI,null);P(a,lI,null);P(a,mI,null);P(a,cI,null);P(a,dI,null);P(a,eI,null);P(a,fI,null);P(this,a,null);a=new cA;Zz(a,new tB(0,3,1));pI=new TA;SA(pI,zb);SA(pI,bb);SA(pI,db);SA(pI,kb);SA(pI,lb);P(a,new SB("Number of hydrogens : "),null);P(a,pI,null);P(this,a,null);a=new cA;Zz(a,new tB(0,3,1));qI=new TA;SA(qI,zb);SA(qI,
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502
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bb);SA(qI,db);SA(qI,kb);SA(qI,lb);SA(qI,"4");SA(qI,"5");SA(qI,"6");P(a,new TB("Number of connections :",0),null);P(a,qI,null);P(a,new TB(" (H's don't count.)",0),null);P(this,a,null);a=new cA;Zz(a,new tB(0,3,1));P(a,new SB("Atom is :"),null);gI=new PA(Ab);P(a,gI,null);hI=new PA("Nonaromatic");P(a,hI,null);nI=new PA(Ec);P(a,nI,null);oI=new PA(mc);P(a,oI,null);P(this,a,null);a=new cA;O(a,kB(qz(this)));Zz(a,new tB(0,3,1));P(a,new SB("Bond is :"),null);rI=new PA(zb);P(a,rI,null);sI=new PA(Ab);P(a,sI,
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503
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null);tI=new PA(Ec);P(a,tI,null);uI=new PA(mc);P(a,uI,null);P(this,a,null);a=new cA;Zz(a,new tB(1,3,1));this.f=new sC(wa,20);P(a,this.f,null);P(a,new PA(Cc),null);P(a,this.j,null);P(this,a,null);this.hc&&HB(this.hc.d,!1);EB(this,!1);wI(this);xI(this);yI(this);O(gI,this.b);O(hI,this.b);O(nI,this.b);O(oI,this.b);O(pI,this.b);O(qI,this.b);YH(this,$H);DB(this);a=this.k;yH(this.hc.d,a.b,a.c);!rz(this)&&Wz(this);Gz(this)}t(540,531,ti,VE);
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504
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+
_.Nf=function(a,b){var c;G(b,Cc)?(vI(this),YH(this,$H),ZH(this)):A(a.i,87)?(yI(this),dt(a.i)===dt($H)?(wI(this),xI(this)):dt(a.i)===dt(aI)?(wI(this),xI(this)):dt(a.i)===dt(bI)?(wI(this),xI(this)):dt(a.i)===dt(nI)?O(oI,this.b):dt(a.i)===dt(oI)?(O(nI,this.b),O(gI,this.b)):dt(a.i)===dt(gI)?(O(hI,this.b),O(oI,this.b)):dt(a.i)===dt(hI)?O(gI,this.b):dt(a.i)===dt(rI)||dt(a.i)===dt(sI)||dt(a.i)===dt(tI)||dt(a.i)===dt(uI)?(vI(this),this.c=!0):xI(this),YH(this,a.i),ZH(this)):A(a.i,88)&&(yI(this),c=a.i,0==c.hc.b.pb.selectedIndex?
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505
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O(c,this.b):O(c,(VA(),dB)),ZH(this));107!=this.d.d&&(this.d.d=107,hA(this.d));return!0};_.c=!1;_.d=null;_.e=null;var $H=_.f=null,rI=null,aI=null,gI=null,sI=null,eI=null,iI=null,qI=null,pI=null,dI=null,cI=null,bI=null,fI=null,jI=null,hI=null,oI=null,uI=null,kI=null,mI=null,nI=null,tI=null,lI=null;function PF(){mH(this)}t(541,516,Sh,PF);_.Oe=function(){this.b=-1;this.c=y(nH,m,0,0,0);this.d=0};_.b=-1;
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|
506
|
+
function zI(a,b){a:{var c=a.b,d=b.b,e,f,g;f=!1;if(null!=d){if(null!=c.b.Ab){vD(c.b.Ab,H(gt,m,1,[d]));break a}g=l;e=c.b.Ib;var j,h,n,o;if(null==d)e=0;else if(j=WG(d,"\\$\\$\\$\\$\r?\n?"),1>=j.length)e=0;else{for(n=0,o=j.length;n<o;++n)h=j[n],bt(e.c,e.d++,h);e=j.length}0<e&&(g=". Use Page Up/Down for SDF access ("+e+va);try{GE(c.b,d,!0)?(xr(c.b,"Structure pasted"+g),YD(c.b),hA(c.b),f=!0):(XE(new eG(c.b.K,c.b,BD)),HE(c.b,!0),hA(c.b))}catch(q){if(q=Wi(q),A(q,124))g=c.b,g.lb=!0,g.K="ERROR - invalid MOL ",
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507
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+
XD(g),XE(new eG(c.b.K,c.b,BD)),hA(c.b);else throw q;}}f&&c.b.Ke(d)}}function sr(a){a=new GC(a);vr();var b,c,d,e,f;try{var g=(yC(),BC);if(CC(g,(yC(),BC)))b=a.b;else if(CC(g,zC))b=new KC(a.b);else throw new HC(g);c=Rn(b)?b.tS():b.toString?b.toString():"[JavaScriptObject]";d=new AI;Oy(d.f,c);e=(f=WG(c,"\r\n|\r|\n|\n\r"),f.length);Iv(d.f,20*(10>e?e:10)+dg);go((co(),eo),new BI(d));CI(d);DI(d)}catch(j){if(j=Wi(j),A(j,105))Bn(j);else throw j;}}function QF(){}t(542,1,{106:1,113:1},QF);
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508
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_.xe=function(a){zI(this,a)};_.b=null;t(544,314,fi);function pr(){var a;pr=x;EI=(a=!1,Tf in $wnd?a=!0:$wnd.navigator.msPointerEnabled&&-1!==navigator.userAgent.toLowerCase().indexOf("touch")&&(a=!0),a);FI=-1!=$wnd.navigator.userAgent.indexOf("Windows NT");GI=EI&!FI;var b;a=H(I,s,-1,[8,8,127,46,1005,40,1001,35,10,13,27,27,1E3,36,1006,37,1003,34,1002,33,1007,39,1,16,9,9,1004,38]);qr=y(I,s,-1,1E3,1);for(b=0;b<qr.length;++b)qr[b]=-999;for(b=0;b<a.length;b+=2)qr[a[b+1]]=a[b]}
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509
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function nq(a,b,c){a=new HI(b,c,a);if(!b.Pd(a,c))for(b=b.gc;b&&!b.Pd(a,c);)b=b.gc}function fA(a,b,c){var d;d=new II;xj(d.u,b,c);qj(a.i,d.u,0,0);ej(a.b,d);return d}function ZF(a,b){return!a.f?null:b in a.f?a.f[b]:null}function uE(a,b,c,d){b=b.b;if(b.s!=c||b.t!=d)mw(a.i,b.u,c,d),b.s=c,b.t=d;JI(b)}
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510
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function YF(a,b,c,d){pr();this.pb=fx();this.b=new kj;this.k=new kj;this.f=d;this.pb.style[Yf]=bb;this.pb.style[Wf]=bb;this.pb.style[Pg]=af;this.pb.style[ih]=b;this.pb.style[Je]=c;this.i=new KI;this.i.pb.style[ih]=eb;Iv(this.i,eb);GI?(b=new LI,c=new MI,qj(b,this.i,0,0),qj(b,c,0,0),qw(this,b)):qw(this,this.i);this.d=a;a.Vb=this;GI?(this.n=new NI(this),this.n.j=new OI(this),this.n.k=new PI(this),this.n.o=new QI(this),this.n.n=new RI(this),this.d&&(this.n.f=new SI(this),this.n.i=new TI(this),this.n.b=
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511
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new UI(this))):B(this,new WI(this),(Cr(),Cr(),Dr));B(this,this,(sq(),sq(),tq));B(this,new ZI(this),(Aj(),Aj(),Bj));B(this,new fJ(this),(Cj(),Cj(),Dj));B(this,new gJ(this),(mr(),mr(),nr));(mq(),mq(),Kz).b=this}t(543,544,fi,YF);_.c=!1;_.d=null;_.e=null;_.f=null;_.i=null;_.j=!1;_.n=null;var GI,FI,EI,qr=null;function KI(){ow.call(this);this.pb[yd]=Xe}t(546,292,ni,KI);function LI(){KI.call(this);this.pb.style[ih]=eb;this.pb.style[Je]=eb}t(545,546,ni,LI);function WI(a){this.b=a}t(547,1,{},WI);
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512
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+
_.uc=function(a){var b,c,d,e;d=Gj(a);e=Hj(a);c=Ij(a.b);b=new hJ(a);2==c&&(b.f=4);b=hF(this.b.d,b,d,e);this.b.j=!0;b&&a.b.stopPropagation()};_.b=null;function ZI(a){this.b=a}t(548,1,{},ZI);_.vc=function(a){var b,c;b=Gj(a);c=Hj(a);a=new hJ(a);this.b.j?rF(this.b.d,a,b,c):tF(this.b.d,a,b,c);this.b.pb.focus()};_.b=null;function fJ(a){this.b=a}t(549,1,{},fJ);_.wc=function(a){this.b.j=!1;Gj(a);Hj(a);vF(this.b.d)};_.b=null;function gJ(a){this.b=a}t(550,1,{},gJ);_.b=null;
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513
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function MI(){KI.call(this);this.pb.style[ih]=eb;this.pb.style[Je]=eb}t(551,546,ni,MI);function iJ(a,b){var c;c=b.b;c.f=4;return hF(a.b.d,c,b.e,b.f)}function OI(a){this.b=a}t(552,1,{},OI);_.Of=function(a){return iJ(this,a)};_.b=null;function ds(a,b){tF(a.b.d,b.b,b.e,b.f);return hF(a.b.d,b.b,b.e,b.f)}function PI(a){this.b=a}t(553,1,{},PI);_.Of=function(a){return ds(this,a)};_.b=null;function QI(a){this.b=a}t(554,1,{},QI);_.Of=function(a){return rF(this.b.d,a.b,a.e,a.f)};_.b=null;
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514
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+
function RI(a){this.b=a}t(555,1,{},RI);_.Of=function(){return vF(this.b.d)};_.b=null;function dr(a,b){var c;c=M(yE(b.c));c=new JC(b,0,pg,c);PD(a.b.d,c);return!0}function SI(a){this.b=a}t(556,1,{},SI);_.Of=function(a){return dr(this,a)};_.b=null;function er(a,b){var c;c=M(yE(100*b.d));c=new JC(b,0,wg,c);PD(a.b.d,c);return!0}function TI(a){this.b=a}t(557,1,{},TI);_.Of=function(a){return er(this,a)};_.b=null;function ir(a,b){var c;c=new JC(b,0,le,nh);PD(a.b.d,c);return!0}function UI(a){this.b=a}
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515
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t(558,1,{},UI);_.Of=function(a){return ir(this,a)};var jJ=_.b=null;function kJ(){kJ=x;jJ=new bu((qu(),new pu("data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAQAAAAECAYAAACp8Z5+AAAAEklEQVR42mM4MzPtPzJmIF0AAOqfLKHtSuV7AAAAAElFTkSuQmCC")),4,4)}function lJ(){lJ=x;mJ={}}function nJ(a,b,c){var d;c&&(b.style[re]=c.c+dg,d=c.b,d!=Qb&&(b.style[qe]=d),0!=(c.d&1)&&(b.style[te]=pd),0!=(c.d&2)&&(b.style[se]=Ve));a.f.style[hh]=Nf}
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516
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517
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518
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519
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520
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function tJ(){tJ=x;var a=uJ=new qJ;Ej();a.i="9p";a.f.style[qe]=Bg;a.f.style[re]="144.0pt";wo(a.f,a.i);a.e.appendChild(a.f);a.e.removeChild(a.f);a.f.style[re]="144.0px";a.e.appendChild(a.f);a.e.removeChild(a.f);vJ=new tA(1)}function kE(a,b){a.q=!0;if(a.k){a.p&&(a.d.length=0,a.p=!1);var c=a.d;c[c.length]=b}else c=a.d,c[c.length]=b,JI(a)}
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521
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543
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544
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545
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581
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function eM(){var a;this.e=new fM(this);this.b=!1;this.c=new tw;ax(this,this.c);a=this.pb.style;a[md]="#000";a[ne]="alpha(opacity=50)";a.opacity="0.5";this.pb[yd]="gwt-GlassPanel"}t(652,312,Xh,eM);
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582
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584
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function hM(){this.pb=fx();var a;a=new $x(new jM(this));B(this,a,(fq(),fq(),gq));B(this,a,(Yq(),Yq(),Zq))}t(655,314,fi,hM);_.wd=function(){Kj(new kM(this))};function jM(a){this.b=a}t(656,1,{},jM);_.b=null;function kM(a){this.b=a}t(657,1,$h,kM);_.xc=function(){this.b.pb.focus()};_.b=null;function lM(a){a.pb.style[ih]=ld;a.pb.style[Je]=ld;if(a.kb){var a=a.ob,b;A(a,149)?a.Zf(null):(b=dM(a))&&b.Zf(a)}}t(659,295,{46:1,48:1,57:1,68:1,69:1,72:1,75:1,76:1,79:1,80:1,82:1,149:1});
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589
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592
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function tM(a,b){var c,d,e;if(b.b)a.d&&nk(a.d),a.d=new uM(a,b),ok(a.d,333);else for(d=new Qi(a.y);d.c<d.e.Fe();)c=Ri(d),e=c.nb,mw(b,vM(c),e.t,e.u),wM(c,e.v,e.s,H(I,s,-1,[xM(a.r.b,c).e,xM(a.q.b,c).d,xM(a.o.b,c).b,xM(a.p.b,c).c]),H(I,s,-1,[yM(a.j.b,c).e,yM(a.i.b,c).d,yM(a.e.b,c).b,yM(a.f.b,c).c]),H(I,s,-1,[zM(a.v,c),zM(a.u,c),zM(a.s,c),zM(a.t,c)]))}
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function AM(){this.y=new kj;this.k=new BM(this);this.x=new CM(this.k);this.w=new DM(this.k);this.r=new EM(this.k);this.q=new FM(this.k);this.o=new GM(this.k);this.p=new HM(this.k);this.j=new IM(this.k);this.i=new JM(this.k);this.e=new KM(this.k);this.f=new LM(this.k);this.v=new MM(this.k);this.u=new MM(this.k);this.s=new MM(this.k);this.t=new MM(this.k)}t(678,1,{});_.eg=function(a){tM(this,a)};_.d=null;_.e=null;_.f=null;_.i=null;_.j=null;_.k=null;_.n=!1;_.o=null;_.p=null;_.q=null;_.r=null;_.s=null;
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597
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function uM(a,b){this.b=a;this.c=b;var c=(tk(),wk);this.n=new sk(this);this.u=c}t(679,17,{},uM);_.yc=function(){NM(this)};_.zc=function(){NM(this)};
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600
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601
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602
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xM(d.o.b,b).b);n[ag]=g;n[fh]=j}d=h}null!=c.n&&(Ej(),Ep)==c.n.gg()||null!=c.k&&(Ej(),Ep)!=c.k.gg()||z(a.f,b,d)}return d}function BM(a){this.i=a;this.d=new Oi;this.f=new Oi;this.c=new Oi;this.b=new Oi;this.e=new Oi}t(694,1,{},BM);_.b=null;_.c=null;_.d=null;_.e=null;_.f=null;_.i=null;function RM(a){var b;b=a.nb;if(null==b||!A(b,147))b=new SM,a.nb=b;return b}function FL(){IL.call(this,(JL(),TM))}function IL(a){var b=(UM(),VM);AM.call(this);this.c=a;this.b=b}t(695,678,{},FL,IL);
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603
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604
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605
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606
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607
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608
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609
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610
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640
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641
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642
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