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/jsme/jsme.nocache.js +18 -0
- 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
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function x(){}u(1,-1,{});_.eQ=function(a){return this===a};_.gC=function(){return this.cZ};_.hC=function(){return Gi(this)};_.tS=function(){var a=this.cZ.e+sb,b;b=this.hC();var c,d,e;c=y(Hi,m,-1,8,1);d=(Ii(),Ji);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 Ki(){Ki=x;Li=new Mi}
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function Ni(a){for(var b,a=new Oi(a.k.n);a.c<a.e.Fe();)b=Pi(a),Qi(b.ld(),fe,!1),Ri(a)}function Si(a,b,c){var a=a.o,d;try{d=new Ti(b,c.Qc(a),c.Tc(a),(c.Rc(a),c.Sc(a))),z(a.d,c,d)}catch(e){e=Ui(e);if(A(e,124))throw new Vi("dragHandle must implement HasMouseDownHandlers, HasMouseUpHandlers, HasMouseMoveHandlers and HasMouseOutHandlers to be draggable",e);throw e;}Qi(b.ld(),Ub,!0);Qi(c.ld(),$d,!0);z(Li,b,c)}
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17
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function Wi(a,b){var c;c=Xi(Li,b);var d;d=Xi(a.o.d,c);if(!d)throw new Yi("dragHandle was not draggable");Zi(d.c.b);Zi(d.e.b);Zi(d.d.b);Qi(b.ld(),Ub,!1);Qi(c.ld(),$d,!1)}function $i(a){var b;a.p=!1;for(a=new Oi(a.k.n);a.c<a.e.Fe();)b=Pi(a),Qi(b.ld(),fe,!1),Ri(a)}function aj(a,b){bj(a.k.n,b)?Qi(b.ld(),fe,!1):a.p?(cj(a.k.n,b),Qi(b.ld(),fe,!0)):(a.k.n.Qe(),cj(a.k.n,b))}function dj(a){this.i=a;this.k=new ej(this);this.o=new fj(this.k)}u(3,1,{});_.rc=function(){gj(this.k.f,"dragdrop-dragging")};
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_.sc=function(){hj(this.k.f,"dragdrop-dragging")};_.i=null;_.j=!1;_.k=null;_.n=0;_.o=null;_.p=!1;var Li;function ej(a){this.n=new ij;this.e=a;this.b=a.i}u(4,1,{},ej);_.b=null;_.c=0;_.d=0;_.e=null;_.f=null;_.i=null;_.j=0;_.k=0;function jj(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 kj(a,b){var c;c=lj(a.d,mj).b;b.b.ctrlKey||b.b.metaKey||Ni(a.c.e);aj(a.c.e,c)}function nj(a){a.c.i=null;a.c.e.sc();oj((pj(),qj(null)),a.b,0,0);var b=a.b.pb;rj=b;sj();tj=b;a.e=2}
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19
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function fj(a){this.d=new Mi;this.c=a;this.b=new uj;vj(this.b,wj(),xj());B(this.b,this,(yj(),yj(),zj));B(this.b,this,(Aj(),Aj(),Bj));a=this.b.pb.style;a[ne]="alpha(opacity=0)";a.opacity=0;a.margin=0+(Cj(),cg);a.borderStyle=(Dj(),Jf);a[ld]="blue"}u(5,1,{},fj);
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20
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_.uc=function(a){var b,c,d,e;c=a.i;d=Ej(a);e=Fj(a);b=Gj(a.b);if(!(3==this.e||2==this.e||1!=b)&&!mj)mj=c,this.c.f=lj(this.d,mj).b,!a.b.ctrlKey&&!a.b.metaKey&&-1==Hj(this.c.n,this.c.f)&&(Ni(this.c.e),aj(this.c.e,this.c.f)),Ij(new Jj),this.f=!0,a.b.preventDefault(),this.i=d,this.j=e,b=new Kj(mj,null),mj!=this.c.f&&(c=new Kj(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,nj(this),1!=this.e&&jj(this,this.c.j,this.c.k))};
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21
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_.vc=function(a){var b,c,d;c=a.i;b=c.pb;d=Lj(a,b);a=Mj(a,b);if(3==this.e||2==this.e){if(c!=this.b)return;this.e=3}else if(this.f&&(Nj(Oj(d-this.i),Oj(a-this.j))>=this.c.e.n?(bk(),-1!=Hj(this.c.n,this.c.f)||aj(this.c.e,this.c.f),c=new Kj(mj,null),this.c.j=this.i+c.b,this.c.k=this.j+c.e,d+=c.b,a+=c.e,nj(this)):ck.preventDefault()),1==this.e)return;ck.preventDefault();jj(this,d,a)};
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22
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_.wc=function(a){var b,c,d,e;d=a.i;b=d.pb;e=Lj(a,b);b=Mj(a,b);if(1==Gj(a.b)&&(this.f=!1,mj))try{if(bk(),1==this.e)kj(this,a);else{d!=this.b&&(c=new Kj(d,null),e+=c.b,b+=c.e);try{jj(this,e,b),this.c.e.rc(),3!=this.e&&kj(this,a)}finally{var f=this.b.pb;rj&&f==rj&&(rj=null);sj();f===tj&&(tj=null);dk(this.b);this.e=1;this.c.f=null}}}finally{mj=null}};_.b=null;_.c=null;_.e=1;_.f=!1;_.i=0;_.j=0;var mj=null;function Jj(){}u(6,1,$h,Jj);_.xc=function(){bk()};
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23
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function Ti(a,b,c,d){this.b=a;this.c=b;this.d=d;this.e=c}u(7,1,{},Ti);_.b=null;_.c=null;_.d=null;_.e=null;u(8,1,{});u(10,8,{});u(9,10,{});_.b=null;u(11,1,{});_.tS=function(){return ua+this.b+Aa+this.e+va};function Kj(a,b){!a||a==(pj(),qj(null))?this.i=this.f=0:(this.f=a.gd()-(a.pb.scrollLeft||0),this.i=a.hd()-(a.pb.scrollTop||0));!b||b==(pj(),qj(null))?this.d=this.c=0:(this.c=ek(b.pb)+fk(b.pb),this.d=gk(b.pb)+hk(b.pb));this.b=this.f-this.c;this.e=this.i-this.d}u(14,11,{},Kj);
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24
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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 bk(){try{$wnd.getSelection().removeAllRanges()}catch(a){throw Error("unselect exception:\n"+a);}}function fk(a){try{var b=$doc.defaultView.getComputedStyle(a,null).getPropertyValue("border-left-width");return-1==b.indexOf(cg)?0:parseInt(b.substr(0,b.length-2))}catch(c){throw Error("getBorderLeft exception:\n"+c);}}
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25
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function hk(a){try{var b=$doc.defaultView.getComputedStyle(a,null).getPropertyValue("border-top-width");return-1==b.indexOf(cg)?0:parseInt(b.substr(0,b.length-2))}catch(c){throw Error("getBorderTop: "+c);}}function ik(a){try{return a.clientHeight}catch(b){throw Error("getClientHeight exception:\n"+b);}}function jk(a){try{return a.clientWidth}catch(b){throw Error("getClientWidth exception:\n"+b);}}
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26
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function kk(a){if(a.p){a.v=a.q;a.p=!1;a.q=!1;if(a.r){var b=a.r,c=b.c;bj(c.b,b);0==c.b.d&&lk(c.c);a.r=null}a.yc()}}function mk(a,b){var c=nk();kk(a);a.p=!0;a.q=!1;a.o=b;a.u=c;++a.s;ok(a.n,nk())}function pk(a,b){var c,d;c=a.s;d=b>=a.u+a.o;if(a.q&&!d)return d=(b-a.u)/a.o,a.Bc((1+Math.cos(3.141592653589793+3.141592653589793*d))/2),a.p&&a.s==c;if(!a.q&&b>=a.u&&(a.q=!0,a.Ac(),!(a.p&&a.s==c)))return!1;return d?(a.p=!1,a.q=!1,a.zc(),!1):!0}u(17,1,{});_.yc=function(){this.v&&this.zc()};
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27
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_.zc=function(){this.Bc((1+Math.cos(6.283185307179586))/2)};_.Ac=function(){this.Bc((1+Math.cos(3.141592653589793))/2)};_.o=-1;_.p=!1;_.q=!1;_.r=null;_.s=-1;_.t=null;_.u=-1;_.v=!1;function ok(a,b){if(pk(a.b,b)){var c=a.b,d=a.b.t,e;e=new qk(d,a.b.n);cj(d.b,e);1==d.b.d&&rk(d.c,16);c.r=e}else a.b.r=null}function sk(a){this.b=a}u(18,1,{},sk);_.b=null;u(19,1,{});u(20,1,{2:1});function tk(){tk=x;uk=new vk}u(21,19,{});var uk=null;function vk(){this.b=new ij;this.c=new wk(this)}u(22,21,{},vk);
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28
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function xk(){xk=x;yk=new ij;var a=new zk;Ak();Bk(Ck?Ck:Ck=new Dk,a)}function lk(a){a.c?$wnd.clearInterval(a.d):$wnd.clearTimeout(a.d);bj(yk,a)}function rk(a,b){if(0>b)throw new Ek("must be non-negative");a.c?$wnd.clearInterval(a.d):$wnd.clearTimeout(a.d);bj(yk,a);a.c=!1;a.d=Fk(a,b);cj(yk,a)}function Gk(a){return $wnd.setInterval(C(function(){a.Cc()}),100)}function Fk(a,b){return $wnd.setTimeout(C(function(){a.Cc()}),b)}u(24,1,{});_.Cc=function(){this.c||bj(yk,this);this.Dc()};_.c=!1;_.d=0;var yk;
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29
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function wk(a){xk();this.b=a}u(23,24,{},wk);_.Dc=function(){var a=this.b,b,c,d,e,f;b=y(Hk,m,3,a.b.d,0);b=Ik(a.b,b);c=new Jk;for(e=0,f=b.length;e<f;++e)d=b[e],bj(a.b,d),ok(d.b,c.b);0<a.b.d&&rk(a.c,Nj(5,16-(nk()-c.b)))};_.b=null;function qk(a,b){this.c=a;this.b=b}u(25,20,{2:1,3:1},qk);_.b=null;_.c=null;u(27,1,{});_.b=null;function Kk(){this.b=ed}u(26,27,{},Kk);function Lk(){this.b=fd}u(28,27,{},Lk);function Mk(){this.b=id}u(29,27,{},Mk);u(31,1,{});_.b=null;function Nk(a){this.b=a}u(30,31,{},Nk);
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30
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function Ok(){this.b=jd}u(32,27,{},Ok);function Pk(){this.b=md}u(33,27,{},Pk);function Qk(){this.b=rd}u(34,27,{},Qk);function Rk(){this.b=wd}u(35,27,{},Rk);function Sk(){this.b=Id}u(36,27,{},Sk);function Tk(){this.b=Jd}u(37,27,{},Tk);function Uk(){this.b=Kd}u(38,27,{},Uk);function Vk(){this.b=Ld}u(39,27,{},Vk);function Wk(){this.b=Qd}u(40,27,{},Wk);function Xk(){this.b=Rd}u(41,27,{},Xk);function Yk(){this.b=Wd}u(42,27,{},Yk);function Zk(){this.b=Zd}u(43,27,{},Zk);function $k(){this.b=ue}
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31
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+
u(44,27,{},$k);function al(){this.b=Be}u(45,27,{},al);function bl(){this.b=Ce}u(46,27,{},bl);function cl(){this.b=De}u(47,27,{},cl);function dl(){this.b=He}u(48,27,{},dl);function fl(a){this.b=a.id}u(49,1,{4:1,5:1},fl);_.b=null;function gl(){this.b=Le}u(50,27,{},gl);function hl(){this.b=$e}u(51,27,{},hl);function il(){this.b=af}u(52,27,{},il);function jl(){this.b=bf}u(53,27,{},jl);function kl(){this.b=cf}u(54,27,{},kl);function ll(){this.b=ef}u(55,27,{},ll);function ml(){this.b=gf}u(56,27,{},ml);
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32
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function nl(){this.b=hf}u(57,27,{},nl);function ol(){this.b=jf}u(58,27,{},ol);function pl(){this.b=kf}u(59,27,{},pl);function ql(){this.b=mf}u(60,27,{},ql);function rl(){this.b=nf}u(61,27,{},rl);function sl(){this.b=of}u(62,27,{},sl);function tl(){this.b=qf}u(63,27,{},tl);function ul(){this.b=If}u(64,27,{},ul);function vl(){this.b=Lf}u(65,27,{},vl);function wl(){this.b=Uf}u(66,27,{},wl);function xl(){this.b=ag}u(67,27,{},xl);u(68,31,{},function(a){this.b=a});function yl(){this.b=bg}u(69,27,{},yl);
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33
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function zl(){zl=x;Al=new Nk("aria-activedescendant")}var Al;function Bl(){this.b=fg}u(71,27,{},Bl);function Cl(){this.b=gg}u(72,27,{},Cl);function Dl(){this.b=jg}u(73,27,{},Dl);
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34
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function El(){El=x;Fl=new Lk;Gl=new Kk;Hl=new Mk;Il=new Ok;Jl=new Pk;Kl=new Qk;Ll=new Rk;Ml=new Sk;Nl=new Tk;Ol=new Uk;Pl=new Vk;Ql=new Wk;Rl=new Xk;Sl=new Yk;Tl=new Zk;Ul=new $k;Vl=new bl;Wl=new al;Xl=new cl;Yl=new dl;Zl=new gl;$l=new hl;am=new jl;bm=new kl;cm=new il;dm=new ll;em=new ml;fm=new nl;gm=new ol;hm=new ql;im=new sl;jm=new tl;km=new rl;lm=new pl;mm=new ul;nm=new vl;om=new wl;pm=new xl;qm=new yl;rm=new Cl;sm=new Bl;tm=new Dl;um=new vm;wm=new xm;ym=new zm;Am=new Bm;Cm=new Dm;Em=new Fm;Gm=
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35
|
+
new Hm;Im=new Jm;Km=new Lm;Mm=new Nm;Om=new Pm;Qm=new Rm;Sm=new Tm;Um=new Vm;Wm=new Xm;Ym=new Zm;$m=new qn;rn=new sn;tn=new un;F=new Mi;z(F,jg,tm);z(F,ed,Gl);z(F,Rd,Rl);z(F,fd,Fl);z(F,id,Hl);z(F,Zd,Tl);z(F,jd,Il);z(F,md,Jl);z(F,rd,Kl);z(F,wd,Ll);z(F,Ce,Vl);z(F,Id,Ml);z(F,De,Xl);z(F,Jd,Nl);z(F,Kd,Ol);z(F,Ld,Pl);z(F,Qd,Ql);z(F,af,cm);z(F,Wd,Sl);z(F,ue,Ul);z(F,Be,Wl);z(F,He,Yl);z(F,Le,Zl);z(F,$e,$l);z(F,bf,am);z(F,cf,bm);z(F,ef,dm);z(F,gf,em);z(F,hf,fm);z(F,jf,gm);z(F,kf,lm);z(F,mf,hm);z(F,nf,km);z(F,
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36
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of,im);z(F,Uf,om);z(F,fg,sm);z(F,qf,jm);z(F,If,mm);z(F,Lf,nm);z(F,ag,pm);z(F,bg,qm);z(F,gg,rm);z(F,ng,ym);z(F,pg,um);z(F,qg,wm);z(F,wg,Cm);z(F,xg,Em);z(F,ug,Am);z(F,Bg,Gm);z(F,Dg,Im);z(F,Eg,Km);z(F,Gg,Qm);z(F,Ig,Mm);z(F,Jg,Om);z(F,Og,Sm);z(F,Pg,Um);z(F,Rg,Wm);z(F,Sg,Ym);z(F,Zg,tn);z(F,$g,$m);z(F,ah,rn)}var Gl,Fl,Hl,Il,Jl,Kl,Ll,Ml,Nl,Ol,Pl,Ql,Rl,Sl,Tl,Ul,Wl,Vl,Xl,Yl,Zl,$l,cm,am,bm,dm,em,fm,gm,lm,hm,km,im,jm,mm,nm,om,pm,qm,sm,rm,tm,F,ym,um,wm,Am,Cm,Em,Gm,Im,Km,Qm,Mm,Om,Sm,Um,Wm,Ym,tn,$m,rn;
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37
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function zm(){this.b=ng}u(75,27,{},zm);function vm(){this.b=pg}u(76,27,{},vm);function xm(){this.b=qg}u(77,27,{},xm);function Bm(){this.b=ug}u(78,27,{},Bm);function Dm(){this.b=wg}u(79,27,{},Dm);function Fm(){this.b=xg}u(80,27,{},Fm);function Hm(){this.b=Bg}u(81,27,{},Hm);function Jm(){this.b=Dg}u(82,27,{},Jm);function Lm(){this.b=Eg}u(83,27,{},Lm);function Rm(){this.b=Gg}u(84,27,{},Rm);function Nm(){this.b=Ig}u(85,27,{},Nm);function Pm(){this.b=Jg}u(86,27,{},Pm);function Tm(){this.b=Og}
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38
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u(87,27,{},Tm);function Vm(){this.b=Pg}u(88,27,{},Vm);function Xm(){this.b=Rg}u(89,27,{},Xm);function Zm(){this.b=Sg}u(90,27,{},Zm);function un(){this.b=Zg}u(91,27,{},un);function qn(){this.b=$g}u(92,27,{},qn);function sn(){this.b=ah}u(93,27,{},sn);function Jk(){this.b=nk()}function nk(){return(new Date).getTime()}u(94,1,{},Jk);function vn(a){var b,c,d;d=new wn;for(c=a;c;)b=c.Ec(),c!=a&&(d.b.b+="Caused by: "),xn(d,c.cZ.e),d.b.b+=lb,yn(d.b,null==b?"(No exception detail)":b),d.b.b+=aa,c=c.f}
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39
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function zn(a){var b,c,d;c=y(An,m,131,a.length,0);for(d=0,b=a.length;d<b;++d){if(!a[d])throw new Bn;c[d]=a[d]}}function Cn(a){var b;b=a.cZ.e;a=a.Ec();return null!=a?b+lb+a:b}u(99,1,{117:1,132:1});_.Ec=function(){return this.i};_.tS=function(){return Cn(this)};_.f=null;_.i=null;function Dn(a){En();this.i=a}u(98,99,qi,Dn);function Yi(a){En();this.i=a}function Vi(a,b){En();this.f=b;this.i=a}u(97,98,ui,Yi,Vi);
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40
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function Fn(a){En();this.c=a;this.b=l;var b,c,d;c=Gn(Hn(this.c)?this.c:null);d=y(An,m,131,c.length,0);for(a=0,b=d.length;a<b;++a)d[a]=new In(c[a]);zn(d)}u(96,97,ui,Fn);
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41
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_.Ec=function(){if(null==this.d){this.e=null==this.c?Nf:Hn(this.c)?null==this.c?null:this.c.name:A(this.c,1)?"String":Jn(this.c).e;this.b=this.b+lb+(Hn(this.c)?null==this.c?null:this.c.message:this.c+l);var a;if(Hn(this.c)){a=this.c;var b=l,c;for(c in a)if(c!=Hf&&"message"!=c&&"toString"!=c)try{b+="\n "+c+lb+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 Kn(a,b){return Ln(a)?a.eQ(b):a===b}function Jn(a){return Ln(a)?a.cZ:Mn}
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42
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+
function Nn(a){return Ln(a)?a.hC():Gi(a)}
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43
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+
function On(){var a;On=x;Pn=(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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44
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a[8205]="\\u200d",a[8206]="\\u200e",a[8207]="\\u200f",a[8232]="\\u2028",a[8233]="\\u2029",a[8234]="\\u202a",a[8235]="\\u202b",a[8236]="\\u202c",a[8237]="\\u202d",a[8238]="\\u202e",a[8288]="\\u2060",a[8289]="\\u2061",a[8290]="\\u2062",a[8291]="\\u2063",a[8292]="\\u2064",a[8298]="\\u206a",a[8299]="\\u206b",a[8300]="\\u206c",a[8301]="\\u206d",a[8302]="\\u206e",a[8303]="\\u206f",a[65279]="\\ufeff",a[65529]="\\ufff9",a[65530]="\\ufffa",a[65531]="\\ufffb",a)}
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45
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function nr(){nr=x;or=new qq(xe,new pr)}function pr(){}u(216,197,{},pr);_.Gc=function(a){var b,c;b=this.b.rotation;c=this.b.scale;a.b.f&&(0!=b&&a.b.c.c!=b&&(a.b.c.c=b,a.b.c.b=null,qr(a.b.f,a.b.c)&&this.b.preventDefault()),a.b.e=!0);a.b.i&&(1!=c&&a.b.c.d!=c&&(a.b.c.b=null,a.b.c.d=c,rr(a.b.i,a.b.c)&&this.b.preventDefault()),a.b.e=!0)};_.Jc=function(){return or};var or;function sr(){sr=x;tr=new qq(ye,new ur)}function ur(){}u(217,197,{},ur);_.Gc=function(a){a.b.b&&(a.b.c.b=null,vr(a.b.b,a.b.c))};
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_.Gc=function(a){var b,c;c=this.b.keyCode||0;0<=c&&c<(Cr(),Dr).length&&-999!=(Cr(),Dr)[c]&&(c=(Cr(),Dr)[c]);b=new Er(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?Fr(fr(a)):c=301;break;case 118:case 86:b&&a.wb&&(b=a.v,d=(!a.xb&&(a.xb=new Gr(a)),a.xb),b.b=d,Hr(),
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71
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72
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73
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74
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75
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76
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77
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function CD(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=AD(this.d,c,this.d.length),this.f=!0),d<a&&(d=a),++b;this.i=d;if(this.f){this.c=y(M,s,-1,b,1);for(c=0,d=0;c<b;++c,d+=65536<=a?2:1)a=AD(this.d,d,this.d.length),this.c[c]=a}}}u(467,1,{},BD,DD,CD);_.b=0;_.c=null;_.d=null;_.e=!1;_.f=!1;_.i=0;_.j=0;_.k=0;_.n=!1;_.o=null;
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260
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+
function ED(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=Qn(e),!(On(),!/[^,:{}\[\]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(Rc+c+Uc),a.apply(c)):(evalString=a+ua+c+");",$wnd.eval(evalString))}
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261
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+
function FD(a){var b;if(null==a||0==a.length){try{$wnd.console.log('JSME installation warning: invalid size or not specified size of DOM element: "'+a+'", Using "100%".')}catch(c){}return db}b=a.charCodeAt(a.length-1);return null!=String.fromCharCode(b).match(/\d/)||46==b?a+cg:a}function Jt(a){var a=new GD(a),b,c,d,e,f;b=$doc.getElementsByTagName(Yd);f=b.length;a.d=[];for(d=0;d<f;++d)e=b[d],c=e.getAttribute(Fd)||l,c==a.b&&(c=a.d,c[c.length]=e);for(a.c=0;HD(a););return a.c}u(474,1,{});
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262
|
+
function ID(a,b){b.Nc(new JD);b.Mc(new KD);b.Oc(new LD);b.Pc(new MD(a))}u(473,474,{});_.c=null;_.d=1;_.e=-1;function ND(a){this.b=a;this.c=new OD(this.b);this.d=this.e=1}u(472,473,{},ND);_.b=null;function OD(a){this.b=a}u(475,1,{},OD);_.Je=function(a){var b=this.b;b.wb&&(null!=a&&0<a.length?(!b.xb&&(b.xb=new Gr(b)),PD(b.xb,a)):(b.lb=!0,b.K="ERROR - empty or null structure",QD(b)))};_.b=null;function RD(a){this.b=a}u(476,1,{},RD);_.b=null;
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263
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+
function SD(a,b,c,d,e){this.f=a;this.c=b;this.e=c;this.d=d;this.b=e}u(477,1,{},SD);_.Ke=function(){Aw(this.f.i,this.c,G(this.f.pb,Rf)-this.e-this.d,G(this.f.pb,Qf)-(this.b-this.d))};_.b=0;_.c=null;_.d=0;_.e=0;_.f=null;function TD(a,b,c,d,e){this.f=a;this.c=b;this.e=c;this.d=d;this.b=e}u(478,1,{},TD);_.Ke=function(){Aw(this.f.i,this.c,G(this.f.pb,Rf)-this.e-this.d,G(this.f.pb,Qf)-(this.b-this.d))};_.b=0;_.c=null;_.d=0;_.e=0;var UD=_.f=null;
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264
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+
function VD(){VD=x;UD=new ou((Du(),new Cu("data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAB0AAAAQCAYAAADqDXTRAAAAo0lEQVR42rWVQQ7AIAgEib33KV4b//+bfoK2h0ZUIKxGkz00AZdRoUTEqYrKKw6qtLmIuo/YZn9xy6ZyI29DGTNLq1KGTBdoVUqPwIqFFkLp0WKr4Pek5YCoGKVGe9xG3BeTu7zBFHiNMsc17YyH4517iUTnJQwsZWG60nNNwRwzrqaTtE2xDBijI9AchSip2gaO1CKDd7p/4LPRNlt/bYohpwcTQ8BgJmw3MgAAAABJRU5ErkJggg==")),29,16)}
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265
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+
function WD(){WD=x;XD=K(Gt,m,1,["Copyright (c) 2013, Novartis Institutes for BioMedical Research Inc. and Bruno Bienfait.","All rights reserved."]);YD=(dB(),gB);ZD=sB(YD);$D=y(aE,m,89,23,0);bE=y(Gt,m,1,23,0);cE=y(aE,m,89,7,0);dE=null!=(UC(),VC[Me]);eE=y(fE,m,93,100,0);gE=y(hE,m,94,100,0)}function iE(a){var b;if(a.Gb)b=jE(a,1)+qb+jE(a,2)+qb+jE(a,3);else if(b=jE(a,0),0<b.length){var c=new kE(a.$);cj(a.ab.b,c)}return b}
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266
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+
function lE(a,b){var c,d;c=b.b;if(H(c,(mE(),nE).c))Fr(oE(a));else if(H(c,pE.c))Fr(fr(a));else if(H(c,qE.c))a.wb&&(c=a.v,d=(!a.xb&&(a.xb=new Gr(a)),a.xb),c.b=d,Hr(),Ir(c));else if(H(c,mg)){7!=a.P&&(a.Q=mh);d=b.d;d=mu(d,lh);c=bu(d,a.Q);var e=!$t(c,mh)?Vt(c):c;!$t(e,sh)&&rE(a.$,O(c));sE(a);a.nb=!0;QD(a);a.P=7;a.Q=d}else H(c,tg)||(H(c,le)?tE(a):uE(a,c))}
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267
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+
function vE(a,b,c,d){var e,f,g,j,h,n,o,r,q;if(!a.rb&&(j=c-b+1,!(0>=j||b>a.vb||c>a.vb))){h=a.C;e=y(wE,m,-1,4,1);o=y(wE,m,-1,99,1);g=q=r=0;for(f=b;f<=c;++f)xE(a.gb[f],e),r+=e[2],q+=e[3],e[3]>g&&(g=e[3]),o[f]=e[2],2==d&&(o[f]=e[3]);a.A&&(r+=25*(j+1),q+=25*(j+1),g+=25);(0==a.D.c||0==a.D.b)&&(a.D=qA(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));r>=e&&(f=e/r);g>=j&&(n=j/g);g=0;a.A&&(a.C=f<n?f:n,g=25*e/r,2==d&&(g=
|
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268
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+
25*j/q));for(f=b;f<=c;++f)2==d?o[f]=o[f]*j/q:o[f]=o[f]*e/r;r=-e/2;q=0;1==d?r=-e-24:3==d?r=24:2==d&&(r=0,q=-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;yE(a.gb[f])}2==d?q+=o[f]/2+g:r+=o[f]/2+g;for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]+=r,a.gb[f].N[b]+=q;2==d?q+=o[f]/2:r+=o[f]/2;a.A||zE(a.gb[f])}a.C*=h}}
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269
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+
function AE(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 BE(a),a.$.s=0);null!=a.tb&&ED(a.tb,null)}}function CE(a,b){var c,d,e,f;f=new mC;d=Dc;c="MOL";e="MOL or SDF";b&&(d="SMIRKS",e=c=yc);d=new eC(Jb+d);var g=(mE(),nE).c;d.d=g;kC(f,d);xA(d.e,a);d=new eC(Jb+c);d.d=pE.c;xA(d.e,a);kC(f,d);a.wb&&(kC(f,new eC(Ba)),c=a.yb,null==c&&(c="Paste "+e),d=new eC(c),d.d=qE.c,xA(d.e,a),kC(f,d));tz(a,f);return f}
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270
|
+
function DE(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);T(b,YD);a.pb?(f==a.d&&T(b,tB(YD)),TB(b,h,g,a.Z,a.Z),T(b,(dB(),iB)),EE(b,h,g,a.Z-1,a.Z-1)):f==a.d?SB(b,h+1,g+1,a.Z,a.Z,!1):SB(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(T(b,(dB(),kB)),f){case 101:T(b,nB);f=h+3;d=g+3;c=a.Z-6;e=a.Z-6;FE(b,!0);GE(b,HE(b,f,d,c,e));T(b,kB);f=h+3;d=g+3;c=a.Z-
|
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271
|
+
6;e=a.Z-6;b.o&&(FE(b,!1),GE(b,HE(b,f,d,c,e)));IE(b,h+6,g+6,a.Z-12,a.Z-12,-35,-110);TB(b,h+9,g+9,2,4);TB(b,h+a.Z-10,g+9,2,4);0.04>Math.random()&&(T(b,lB),TB(b,h+10,g+18,4,4));0.96<Math.random()&&(T(b,nB),TB(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);U(b,d,g+a.Z-c,j,g+~~(a.Z/2));U(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+a.Z-c);n=g+a.Z-c;f=~~(a.Z/24);U(b,j-f,n,j-2*f,n);U(b,j+f,n,j+2*f,n);T(b,oB);U(b,d,g+c,j,g+~~(a.Z/2));U(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+c);n=g+c;U(b,j-f,n,j-2*f,n);U(b,j+f,
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272
|
+
n,j+2*f,n);T(b,kB);break;case 107:T(b,mB);TB(b,h+4,g+4,a.Z-8,a.Z-8);T(b,kB);EE(b,h+4,g+4,a.Z-8,a.Z-8);IE(b,h+6,g+6,a.Z-11,a.Z-12,-35,-110);TB(b,h+9,g+9,2,4);TB(b,h+a.Z-10,g+9,2,4);break;case 108:f=~~(a.Z/4);U(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);U(b,h,d,h+f,d);g+=~~(a.Z/3);a=h-f;U(b,a,g,h,g);h=~~((a+h)/2);g-=~~(f/2);U(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),T(b,qB),EE(b,c,e,d,d),T(b,jB),j=h+~~(a.Z/2),a=g+~~(a.Z/2),n=c+d,o=g+f,g=
|
|
273
|
+
o+f,U(b,c,g,j,o),U(b,j,o,n,g),g=e+d+f,o=g+f,U(b,c,g,j,o),U(b,j,o,n,g),h+=f,n=h+f,g=e+d,U(b,n,e,h,a),U(b,h,a,n,g),h=c+d+f,n=h+f,U(b,h,e,n,a),U(b,n,a,h,g));break;case 110:JE(b,h,g,a.Z,!0);break;case 111:JE(b,h,g,a.Z,!1);break;case 109:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));U(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)+~~(c/2));U(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)-~~(c/2));break;case 102:T(b,eB);TB(b,h+3,g+5,a.Z-7,a.Z-11);T(b,kB);EE(b,h+3,g+5,a.Z-7,a.Z-11);break;case 103:T(b,YD);
|
|
274
|
+
a.qb&&SB(b,h+1,g+1,a.Z,a.Z,!1);T(b,kB);KE(a,b,h,g,"NEW");break;case 106:T(b,lB);U(b,h+7,g+7,h+a.Z-7,g+a.Z-7);U(b,h+8,g+7,h+a.Z-6,g+a.Z-7);U(b,h+7,g+a.Z-7,h+a.Z-7,g+7);U(b,h+8,g+a.Z-7,h+a.Z-6,g+7);T(b,kB);U(b,h+c,g+~~(a.Z/2),h+12,g+~~(a.Z/2));KE(a,b,h+6,g,pc);break;case 104:T(b,lB);U(b,h+7,g+7,h+a.Z-7,g+a.Z-7);U(b,h+8,g+7,h+a.Z-6,g+a.Z-7);U(b,h+7,g+a.Z-7,h+a.Z-7,g+7);U(b,h+8,g+a.Z-7,h+a.Z-6,g+7);T(b,kB);break;case 105:a.Ob?(T(b,pB),U(b,h+11,g+5,h+9,g+9),U(b,h+9,g+9,h+4,g+9),U(b,h+4,g+9,h+8,g+12),U(b,
|
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275
|
+
h+8,g+12,h+6,g+18),U(b,h+6,g+18,h+11,g+15),U(b,h+12,g+5,h+14,g+9),U(b,h+14,g+9,h+19,g+9),U(b,h+19,g+9,h+15,g+12),U(b,h+15,g+12,h+17,g+18),U(b,h+17,g+18,h+12,g+15),T(b,kB)):KE(a,b,h,g,"123");break;case 114:T(b,rB);f=a.Z-8;d=h+~~((a.Z-f)/2);c=g+~~((a.Z-f)/2);TB(b,d,c,f,f);T(b,kB);LE(a,b,h,g,eB,"i");break;case 201:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)+2);U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)-2);U(b,h+a.Z-c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)-2);break;case 202:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));
|
|
276
|
+
break;case 203:U(b,h+c,g+~~(a.Z/2)-2,h+a.Z-c,g+~~(a.Z/2)-2);U(b,h+c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)+2);break;case 204:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));U(b,h+c,g+~~(a.Z/2)-3,h+a.Z-c,g+~~(a.Z/2)-3);U(b,h+c,g+~~(a.Z/2)+3,h+a.Z-c,g+~~(a.Z/2)+3);break;case 205:U(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));U(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));U(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:ME(a,b,h,g+2,3);break;case 207:ME(a,b,h,g,4);break;
|
|
277
|
+
case 208:ME(a,b,h,g,5);break;case 209:ME(a,b,h,g,1);break;case 210:ME(a,b,h,g,6);break;case 211:ME(a,b,h,g,7);break;case 212:ME(a,b,h,g,8);break;case 213:KE(a,b,h,g,"FG"),a.G=new hC(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!=bE[d]&&LE(a,b,h,g,$D[d],bE[d])}
|
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278
|
+
function NE(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,T(d,YD),TB(d,0,0,c,b),a.pb?(T(d,(dB(),iB)),EE(d,-1,0,c,b-1)):(T(d,ZD),U(d,0,0,c-1-2,0),T(d,tB(YD)),U(d,0,b-1,c-1,b-1),U(d,c-1,0,c-1,b-1)),OE(d,a.Y),T(d,(dB(),kB)),-1!=a.K.toLowerCase().indexOf(me)&&T(d,lB),PE(d,a.K,10,15),QE(a.Vb,a.J,a.Z,a.D.b-a.Z))}
|
|
279
|
+
function RE(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;T(d,YD);TB(d,0,0,c,b);a.pb?(T(d,(dB(),iB)),U(d,0,b-1,c,b-1),e=SE*(a.Z+a.T)+2,U(d,0,e,c,e),U(d,0,e,0,b),U(d,a.Z-1,e,a.Z-1,b-a.Z)):(T(d,ZD),U(d,0,0,0,b-1),U(d,0,SE*a.Z,b-1,SE*a.Z),T(d,tB(YD)),U(d,c-1,0,c-1,b-1-a.Z),U(d,0,b-1,c-1,b-1));for(b=3;b<=SE+2;++b)DE(a,d,1,b);QE(a.Vb,a.R,0,2*a.Z+a.T)}}
|
|
280
|
+
function TE(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;T(e,a.u);TB(e,0,0,c,b);d=a.eb?(pC(),sC):(pC(),uC);if((pC(),qC)==(pC(),qC))d==sC?e.b=l:e.b=zg;d=new CA(a.fb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+fa);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,r=void 0,q=n=void 0,t=void 0,v=void 0,D=void 0,E=D=r=o=void 0,J=void 0,Q=void 0,ub=o=v=r=j=void 0,Y=o=j=void 0,L=h=r=h=void 0,ea=D=Q=void 0,J=h=q=r=r=E=t=L=j=Y=Y=v=L=J=q=Y=L=t=ea=q=J=n=Q=o=v=v=E=J=void 0,
|
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281
|
+
D=Q=1,n=2,ea=3;f.x&&(yE(f),vE(f.o,1,f.o.vb,0),f.x=!1);n*=f.o.C;ea*=f.o.C;j=1;0.7>f.o.C&&(j=1.2);j=O(N(UE(13*f.o.C*j)));VE(f.o,j);f.o.B&&(T(g,(dB(),kB)),EE(g,0,0,f.o.D.c-1,f.o.D.b-1));if(0!=f.u){if(-1==f.k){o=O(N(Math.round(12*n)));for(j=1;j<=f.u;++j)0<f.e[j]&&7>f.e[j]&&(T(g,(WD(),cE)[f.e[j]]),h=g,r=Dt(f.K[j]-o/2),Y=Dt(f.N[j]-o/2),L=t=o,FE(h,!0),GE(h,HE(h,r,Y,t,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]&&(T(g,(WD(),cE)[f.e[h]]),J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*
|
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282
|
+
J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=3*ea*Q,J=3*ea*D,Y=y(M,s,-1,4,1),r=y(M,s,-1,4,1),Y[0]=Dt(f.K[h]+q),r[0]=Dt(f.N[h]-J),Y[1]=Dt(f.K[o]+q),r[1]=Dt(f.N[o]-J),Y[2]=Dt(f.K[o]-q),r[2]=Dt(f.N[o]+J),Y[3]=Dt(f.K[h]-q),r[3]=Dt(f.N[h]+J),o=g,h=Y,FE(o,!0),GE(o,WE(o,h,r,4,!0)))}for(j=1;j<=f.v;++j){T(g,(dB(),kB));h=f.I[j];o=f.J[j];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[o]&&T(g,(WD(),cE)[f.e[h]]);if(3==f.C[j]||4==f.C[j])r=h,h=o,o=r;L=f.K[h];t=f.N[h];Y=f.K[o];r=f.N[o];if(1!=f.t[j]||0!=f.C[j])J=Y-L,Q=r-t,D=Math.sqrt(J*J+Q*Q),
|
|
283
|
+
1>D&&(D=1),Q/=D,D=J/D;switch(f.t[j]){case 2:10<=f.C[j]&&T(g,oB);q=n*Q;J=n*D;U(g,O(N(Math.round(L+q))),O(N(Math.round(t-J))),O(N(Math.round(Y+q))),O(N(Math.round(r-J))));U(g,O(N(Math.round(L-q))),O(N(Math.round(t+J))),O(N(Math.round(Y-q))),O(N(Math.round(r+J))));T(g,kB);break;case 3:o=O(N(Math.round(L)));h=O(N(Math.round(t)));Y=O(N(Math.round(Y)));r=O(N(Math.round(r)));U(g,o,h,Y,r);L=O(N(Math.round(ea*Q)));t=O(N(Math.round(ea*D)));U(g,o+L,h-t,Y+L,r-t);U(g,o-L,h+t,Y-L,r+t);break;case 9:case 0:for(h=
|
|
284
|
+
0;10>h;++h)v=L-(L-Y)/10*h,E=t-(t-r)/10*h,U(g,O(N(Math.round(v))),O(N(Math.round(E))),O(N(Math.round(v))),O(N(Math.round(E))));OE(g,f.o.n);o=XE(f.o.o);J=f.f[j];h=rb;null!=J&&(h=J);J=xC(f.o.o,h);L=O(N(Math.round((L+Y)/2-J/2)));q=O(N(Math.round((t+r)/2+~~(o/2)-1)));T(g,oB);PE(g,h,L,q);T(g,kB);break;default:if(1==f.C[j]||3==f.C[j])q=ea*Q,J=ea*D,E=y(M,s,-1,3,1),v=y(M,s,-1,3,1),E[0]=O(N(Math.round(Y+q))),v[0]=O(N(Math.round(r-J))),E[1]=O(N(Math.round(L))),v[1]=O(N(Math.round(t))),E[2]=O(N(Math.round(Y-
|
|
285
|
+
q))),v[2]=O(N(Math.round(r+J))),o=g,h=E,r=v,FE(o,!0),GE(o,WE(o,h,r,3,!0));else if(2==f.C[j]||4==f.C[j]){q=ea*Q;J=ea*D;for(h=0;10>h;++h)v=L-(L-Y)/10*h,E=t-(t-r)/10*h,o=h/10,U(g,O(N(Math.round(v+q*o))),O(N(Math.round(E-J*o))),O(N(Math.round(v-q*o))),O(N(Math.round(E+J*o))))}else U(g,O(N(Math.round(L))),O(N(Math.round(t))),O(N(Math.round(Y))),O(N(Math.round(r))))}}D=y(wE,m,-1,f.u+1,1);Q=y(M,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],r=f.K[o],++Q[h],++Q[o],D[h]=D[h]/Q[h]+r/Q[h],D[o]=
|
|
286
|
+
D[o]/Q[o]+n/Q[o];OE(g,f.o.n);o=XE(f.o.o);J=y(Gt,m,1,f.u+1,0);Y=y(M,s,-1,f.u+1,1);r=y(M,s,-1,f.u+1,1);n=y(YE,m,100,f.u+1,0);t=2;1!=f.o.C&&(t=O(N(UE(2*f.o.C))));for(j=1;j<=f.u;++j)h=ZE(f,j),(null==h||1>h.length)&&(h=wa),3==f.c[j]&&0<f.A[j]&&0==f.B[j]?(J[j]=h,Y[j]=r[j]=xC(f.o.o,h),n[j]=$E(f,t,j,Y[j],Y[j],o,!1)):(L=D[j]<f.K[j],E=!0,1<Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/3&&(E=!1),2<Q[j]&&(E=!1),1==Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/10&&(L=!0),q=h,ub=l,f.o.Lb&&
|
|
287
|
+
0<f.y[j]&&(ub+=Vb,1<f.y[j]&&(ub+=f.y[j])),v=l,0!=f.B[j]&&(1<Oj(f.B[j])&&(v+=Oj(f.B[j])),0<f.B[j]?v+=xa:v+=Ba),L||!E?h=h+ub+v+l:h=v+ub+l+h,E||(q=h),J[j]=h,q=xC(f.o.o,q),v=xC(f.o.o,h),Y[j]=q,r[j]=v,v=n[j]=$E(f,t,j,q,v,o,L),L=v.d+t+1,q=v.e+o+t,T(g,f.o.u),-1==f.k&&0!=f.e[j]&&T(g,(WD(),cE)[f.e[j]]),TB(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?T(g,(WD(),cE)[f.e[j]]):T(g,(dB(),kB)):T(g,(WD(),$D)[f.c[j]]),PE(g,h,L,q));for(h=1;h<=f.z;++h)j=f.r[h][0],q=Y[j],v=r[j],L=O(N(UE(f.K[j]-q/2))),q=O(N(UE(f.N[j]+~~(o/2)-1))),
|
|
288
|
+
T(g,(dB(),oB)),PE(g,ba+f.r[h][1],L+v,q);if(0<f.E||0<f.F)if(T(g,104==f.o.d?(dB(),lB):(dB(),rB)),0<f.E&&106!=f.o.d&&(v=n[f.E],EE(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,q=(ea+1)*Q,J=(ea+1)*D,E=y(M,s,-1,5,1),v=y(M,s,-1,5,1),E[0]=O(N(UE(f.K[h]+q))),E[1]=O(N(UE(f.K[o]+q))),v[0]=O(N(UE(f.N[h]-J))),v[1]=O(N(UE(f.N[o]-J))),E[3]=O(N(UE(f.K[h]-q))),E[2]=O(N(UE(f.K[o]-q))),v[3]=O(N(UE(f.N[h]+J))),v[2]=O(N(UE(f.N[o]+J))),E[4]=
|
|
289
|
+
E[0],v[4]=v[0],106!=f.o.d&&(ea=g,j=E,Q=v,ea.o&&(FE(ea,!1),GE(ea,WE(ea,j,Q,5,!0)))),106==f.o.d&&aF(f,f.I[f.F],f.J[f.F]))){ea=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++ea;if(ea>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;T(g,(dB(),lB));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],EE(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(T(e,(dB(),iB)),U(e,c-1,0,c-1,b-1)):(T(e,tB(YD)),U(e,c-1,0,c-1,b-1),T(e,YD),U(e,c-2,0,c-2,b-1),T(e,ZD),U(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),T(e,(dB(),oB)),U(e,d,~~(b/2),d+48,~~(b/2)),U(e,
|
|
290
|
+
d+48,~~(b/2),d+48-6,~~(b/2)+6),U(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.A&&(a.U=new GB(Wb,0,13),a.X=new wC(a.U),null!=a.cb&&(d=xC(a.X,a.cb),c=O(N(Math.round((c-d)/2))),b-=13,T(e,(dB(),kB)),OE(e,a.U),PE(e,a.cb,c,b)));QE(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
|
|
291
|
+
function ME(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(M,s,-1,9,1);n=y(M,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]=Dt(c+a*Math.sin(j)),n[f]=Dt(d+a*Math.cos(j));f=e+1;b.o&&(FE(b,!1),GE(b,WE(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=Dt(c+(a-3)*Math.sin(j)),n[f]=Dt(d+(a-3)*Math.cos(j));U(b,h[0],n[0],h[1],n[1]);U(b,h[2],n[2],h[3],n[3]);U(b,h[4],n[4],h[5],n[5])}}
|
|
292
|
+
function bF(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;T(d,YD);TB(d,0,0,b,c);a.pb?(T(d,(dB(),iB)),c=14*(a.Z+a.T),EE(d,c,0,b-c-1,2*a.Z+a.T-1)):(T(d,tB(YD)),U(d,b-1,0,b-1,c-1),U(d,0,c-1,b-1-2,c-1),T(d,ZD),U(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)DE(a,d,b,1),DE(a,d,b,2);a.d=c;QE(a.Vb,a.Rb,0,0)}}
|
|
293
|
+
function JE(a,b,c,d,e){var f,g,j,h,n,o,r,q;n=~~(d/4);o=2+~~(n/2);g=2+n;q=c+~~(10*d/24);h=q+n;r=b+d;e?(j=2+b,f=o+b,g+=b):(f=r-o,j=r-2,g=r-g);U(a,j,q,f,h);U(a,g,q,f,h);j=~~(n/3);U(a,f,q+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=r-f-o,h*=-1,e=-90);IE(a,b,c+o-j,f,d-4-j-1,e,h)}
|
|
294
|
+
function cF(a,b,c){var d,e,f,g,j,h;dF(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=eF(b);b=new CD(b,j,!0);e=l;for(d=1;5>=d;++d)e=fF(b,j);d=gF(hD(ho(e.substr(0,3)),10)).b;g=gF(hD(ho(e.substr(3,3)),10)).b;fF(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=fF(b,j),null==h||H(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new hF(a,f)}vE(a,1,d,1);vE(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new hF(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",QD(a),!1;null!=a.j&&a.$&&iF(a.$,a.j,!0);null!=a.k&&
|
|
295
|
+
a.$&&iF(a.$,a.k,!1);j=jF(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 kF(a,a.$,e)}a.f=1;a.$=a.gb[a.f];vE(a,1,j,0)}c&&QD(a);return!0}function Jr(a,b){a.lb=!0;a.K=b}function VE(a,b){100>b&&(!eE[b]&&(eE[b]=new GB(Wb,0,b)),!gE[b]&&At(gE,b,new wC(eE[b])),a.n=eE[b],a.o=gE[b])}
|
|
296
|
+
function Nr(a,b){var c,d;if(0==b)return!1;sE(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:AE(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;lF(a,mF(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 cw("Cannot redo. Index is out of range.");if(!d.b.d)throw new cw(Zb);
|
|
297
|
+
d.b=d.b.d;lF(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=Tu(d,d.b)):d=null;null==d?(a.lb=!0,a.K=ic):(Jr(a,dc+(a.Ib.b+1)+ca+a.Ib.d),d=nF(d),oF(a,d,!1,!0),null!=a.tb&&ED(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=Tu(d,d.b)):d=null;null==d?(a.lb=!0,a.K=ic):(Jr(a,dc+(a.Ib.b+1)+ca+a.Ib.d),d=nF(d),oF(a,d,!1,!0),null!=a.tb&&ED(a.tb,null));break;case 101:a.Mb&&pF(a.Mb);a.Mb=new qF(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new rF(a):a.Eb.hc.d.hb?sF(a.Eb.hc.d):tF(a.Eb);break;case 114:a.c&&
|
|
298
|
+
pF(a.c);a.c=new qF(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,uF(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=vF(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(wE,m,-1,4,1);xE(a.$,d);a.nb=!0;a.$=new kE(a.$);d=Dt(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;wF(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,xF(a.$,a.$.E),a.$.E=0,tE(a)):0<a.$.F&&(a.nb=!0,yF(a.$,a.$.F),a.$.F=0,tE(a));zF(a.$);break;case 213:a.d=
|
|
299
|
+
c;if(!a.F){var e,f,g,j;j=new mC;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new eC(c),kC(j,g),g.d=c,xA(g.e,a);tz(a,j);a.F=j}lC(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&&(pF(a.p),a.p=null);0==a.$.E&&(a.p=new qF(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
|
|
300
|
+
20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.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,tE(a)),18==a.e&&(d=ko((Kr(),Lr).hc.b.pb,ch),AF(a.$,a.$.E,d),tE(a)),zF(a.$))}QD(a);return!0}
|
|
301
|
+
function fr(a){var b,c,d;d=oE(a);c=l;if(a.Gb){var e,f,g;g=ht([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)vF(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(BF(g[1][0],3)+BF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+CF(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+CF(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new DF(a,a.gb,a.vb)),c=CF(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
|
|
302
|
+
function EF(a,b,c,d){var e;e=c;var f=d,g,j;(g=FF(b),j=0!=(b.f&2),g||j)?(a.Gb?lC((!a.x&&(a.x=CE(a,!0)),a.x),a,e,f):lC((!a.w&&(a.w=CE(a,!1)),a.w),a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=GF(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){b=0;for(e=1;14>=e;++e)if(c<e*(a.Z+a.T)){b=e;break}c=0;for(e=1;e<=SE+2;++e)if(d<e*(a.Z+a.T)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",QD(a),
|
|
303
|
+
!0;if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",QD(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=Nr(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)xF(a.$,a.$.E),a.$.E=0,tE(a);else{if(106==a.d)return!0;if(108==a.d)HF(a.$,a.$.E,0),tE(a);else if(157==a.d)HF(a.$,a.$.E,1),tE(a);else if(158==a.d)HF(a.$,a.$.E,-1),tE(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
|
|
304
|
+
1,W(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):tE(a);else if(206<=a.d&&229>=a.d)a.P=2,IF(a.$),tE(a);else if(230==a.d)a.P=3,tE(a);else if(233<=a.d&&262>a.d)JF(a.$,!1),tE(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;AF(a.$,a.$.E,ko(a.Eb.f.hc.b.pb,ch));a.$.n=!0;tE(a)}else if(105==a.d)KF(a.$),tE(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=ko((Kr(),Lr).hc.b.pb,ch),1>d.length&&(d=Nc),AF(a.$,a.$.E,
|
|
305
|
+
d)),tE(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,IF(a.$),tE(a);else if(0<a.$.F)if(104==a.d)yF(a.$,a.$.F),a.$.F=0,tE(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])Jr(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;xF(d,c);d.b[c]=0}a.$.F=0;tE(a)}else if(201==a.d)LF(a.$,a.$.F),tE(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),tE(a),a.$.C[a.$.F]=
|
|
306
|
+
0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,tE(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,tE(a);else if(206<=a.d&&229>=a.d)a.P=2,IF(a.$),tE(a);else if(107==a.d){if(!a.Eb.c)return!0;d=ko(a.Eb.f.hc.b.pb,ch);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;tE(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 BE(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(MF(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
|
|
307
|
+
1,a.$.G=1,a.P=1,W(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,IF(a.$)):300<a.d?(MF(a.$),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=ko((Kr(),Lr).hc.b.pb,ch),1>d.length&&(d=Nc),AF(a.$,1,d))):230==a.d?NF(a,null,!0):233<=a.d&&262>a.d?(MF(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,JF(a.$,!0)):UC();tE(a)}else e=!1;e&&(zF(a.$),a.mb=!1,a.ob=!1,a.nb=!0,QD(a))}return e}
|
|
308
|
+
function OF(a,b,c,d){var e,f;if(a.A||!a.ib||FF(b))return!0;a.lb=!1;c-=a.Z;d-=2*a.Z;e=c-a.Tb;f=d-a.Ub;if(2==a.P||3==a.P||9==a.P)return!0;if(1==a.P){a:{b=a.$;e=c;f=d;var g,j,h,n,o,r,q;b.E=0;b.K[0]=e;b.N[0]=f;g=PF(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);r=e-b.K[n];q=f-b.N[n];n=-g/2+r*j+
|
|
309
|
+
q*h;h=q*j-r*h;if(0>n)if(1<b.w)xF(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,r=e-b.K[o],q=f-b.N[o],e=q*j-r*h,r=b.K[b.j[1]]-b.K[o],q=b.N[b.j[1]]-b.N[o],f=q*j-
|
|
310
|
+
r*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],W(b,0),yF(b,e),0<PF(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){Jr(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;W(b,O(N(Math.round(h))));b.j[b.w]=b.u;0<PF(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;Jr(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.$.E)a.jb||(a.jb=
|
|
311
|
+
!0),b=a.$,0<b.E&&(e=b.E,b.K[e]=c,b.N[e]=d);else if(GF(b)||FF(b))rE(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(wE,m,-1,4,1);xE(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;sE(a);a.nb=!0;QD(a);a.Tb=c;a.Ub=d;return!0}
|
|
312
|
+
function QF(a,b,c,d){var e,f,g;if(!(a.A&&null==a.sb||FF(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,r=void 0,q=void 0,t=void 0,n=void 0,r=0,t=((WD(),dE)?350:170)+1,q=1;q<=e.v;++q)n=j-e.L[q],o=h-e.O[q],n=n*n+o*o,n<t&&(t=n,r=q);r*=-1;for(q=1;q<=e.u;++q)n=j-e.K[q],o=h-e.N[q],n=n*n+o*o,n<t&&(t=n,r=q);e=r;if(0!=e){a.gb[b].E=0<e?e:0;a.gb[b].F=0>e?-e:0;f=b;g=!0;RF(a,a.gb[b].E);113==a.d&&0>e&&(g=!1,a.gb[b].F=0);break a}else if(RF(a,0),0<a.gb[b].E||0<a.gb[b].F)a.gb[b].E=
|
|
313
|
+
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;sE(a);a.nb=!0;QD(a)}!a.A&&0!=f&&f!=a.f&&(a.f=f,a.$=a.gb[a.f])}}
|
|
314
|
+
function SF(a){if(a.A)return!0;a.jb&&(a.jb=!1,tE(a));a.lb=!1;a.Q=mh;if(1==a.P){if(205==a.d){var b=a.$,c,d;b.D&&(c=PF(b,b.u),6>b.A[c]&&(TF(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),xF(b,b.u));b.D=!1;tE(a)}else a:{var b=a.$,e,f;c=PF(b,b.u);if(0!=c){--b.u;for(f=1;f<b.v;++f)if(d=b.I[f],e=b.J[f],d==c&&e==b.G||d==b.G&&e==c){--b.v;--b.A[b.G];3>b.t[f]?(++b.t[f],b.C[f]=0):Jr(b.o,"Maximum allowed bond order is 3 !");break a}6==b.A[c]?(--b.v,--b.A[b.G],Jr(b.o,"Not possible connection !")):
|
|
315
|
+
(b.J[b.v]=c,b.H[c][++b.A[c]]=b.G,b.H[b.G][b.A[b.G]]=c,b.L[b.v]=O(N(UE((b.K[b.G]+b.K[c])/2))),b.O[b.v]=O(N(UE((b.N[b.G]+b.N[c])/2))))}}zE(a.$);a.s&&(b=a._,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,mF(b),b.b.d=c),tE(a),a.s=!1)}else 5==a.P&&(zE(a.$),tE(a));0<a.P&&(a.E=!1,sE(a),a.nb=!0,zF(a.$),UF(a.$),QD(a),a.P=0,a.i=!1);if(dE&&(0!=a.$.F||0!=a.$.E))a.$.F=0,a.$.E=0,sE(a),a.nb=!0,QD(a);return!0}function sE(a){a.mb=!1;a.ob=!1;a.nb=!1}
|
|
316
|
+
function RF(a,b){if(null!=a.sb&&!(0>=b&&0==a.Cb||b==a.Cb&&a.f==a.Bb))0>=b&&0<a.Cb&&(b=0),a.Cb=b,a.Bb=a.f,ED(a.sb,K(VF,m,127,[new S(a.f),new S(b)]))}
|
|
317
|
+
function WF(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Fb=!1:-1<b.indexOf("rbutton")&&(a.Fb=!0);-1<b.indexOf("nohydrogens")?a.Lb=!1:-1<b.indexOf("hydrogens")&&(a.Lb=!0);-1<b.indexOf("keephs")&&(a.O=!0);-1<b.indexOf("removehs")&&(a.O=!1);-1<b.indexOf("noquery")?a.Db=!1:-1<b.indexOf("query")&&(a.Db=!0);-1<b.indexOf(Kf)?a.Gb=!1:-1<b.indexOf(hg)&&(a.Gb=!0);-1<b.indexOf("noautoez")?a.q=!1:-1<b.indexOf("autoez")&&(a.q=!0);-1<b.indexOf("nostereo")?a.Pb=!1:-1<b.indexOf("stereo")&&(a.Pb=!0);
|
|
318
|
+
-1<b.indexOf("nocanonize")?a.t=!1:-1<b.indexOf("canonize")&&(a.t=!0);-1<b.indexOf("nomultipart")?a.kb=!1:-1<b.indexOf(Ff)&&(a.kb=!0);-1<b.indexOf("nonumber")?(a.ub=!1,a.r=!1):-1<b.indexOf(Of)&&(a.ub=!0,a.r=!1);-1<b.indexOf("newlook")?(a.pb=!0,a.T=1):-1<b.indexOf("oldlook")&&(a.pb=!1,a.T=0);-1<b.indexOf("autonumber")&&(a.r=!0,a.ub=!0);-1<b.indexOf("star")&&(a.Ob=!0,a.ub=!0);-1<b.indexOf("nostar")&&(a.Ob=!1,a.ub=!1);-1<b.indexOf("polarnitro")&&(a.zb=!0);-1<b.indexOf("nopolarnitro")&&(a.zb=!1);-1<b.indexOf("depict")&&
|
|
319
|
+
(a.A=!0,a.Z=0,a.db=null,vE(a,1,a.vb,0));if(-1<b.indexOf("nodepict")){a.A=!1;for(d=1;d<=a.vb;++d)XF(a.gb[d]),yE(a.gb[d]);a.C=1;a.Z=24;a.$&&(a.$.x=!0)}-1<b.indexOf("xbutton")&&(a.Sb=!0);-1<b.indexOf("noxbutton")&&(a.Sb=!1);d=a.wb;-1<b.indexOf("nopaste")?a.wb=!1:-1<b.indexOf(Yf)&&(a.wb=!0);d!=a.wb&&(a.w=null,a.x=null);-1<b.indexOf(pd)&&(a.B=!0);-1<b.indexOf("noborder")&&(a.B=!1);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.rb=!0);-1<b.indexOf("jmeh")&&
|
|
320
|
+
(a.N=!0);-1<b.indexOf("showan")&&(a.Kb=!0);-1<b.indexOf("atommovebutton")&&(a.Jb=!0);-1<b.indexOf("noatommovebutton")&&(a.Jb=!1);a.Gb&&(a.r=!0,a.kb=!0);a.A||(a.B=!1);a.Fb&&++SE;c&&QD(a)}
|
|
321
|
+
function QD(a){var b,c,d,e;b=qA(a);!a.D||b.c!=a.D.c||b.b!=a.D.b||!a.db||!a.J?(e=!1,a.D&&(e=b.c!=a.D.c||b.b!=a.D.b),a.D=b,d=b.c-a.Z,c=b.b-3*a.Z-a.T,1>d&&(d=1),1>c&&(c=1),a.db=a.Le(a.db,d,c),a.A&&e&&vE(a,1,a.vb,0),TE(a),a.A||(a.Rb=a.Le(a.Rb,b.c,2*a.Z+a.T),bF(a),c=b.b-2*a.Z+a.T,1>c&&(c=1),a.R=a.Le(a.R,a.Z,c),RE(a),a.J=a.Le(a.J,d,a.Z),NE(a))):(TE(a),a.A||(NE(a),a.E&&(bF(a),RE(a)),a.E=!0));a.mb=!0;a.ob=!0;a.nb=!0;a.lb=!0}
|
|
322
|
+
function YF(a,b){var c,d,e;e=l;for(d=1;d<=a.vb;++d){if(0<b&&(c=vF(a.gb[d]),c!=b))continue;c=a.gb[d];for(var f=void 0,g=void 0,j=void 0,h=void 0,n=g=f=void 0,o=void 0,j=void 0,o=l+c.u+ba+c.v,h=1;h<=c.u;++h){j=ZE(c,h);c.o.N&&0<c.y[h]&&(j+=Vb,1<c.y[h]&&(j+=c.y[h]));0!=c.B[h]&&(0<c.B[h]?j+=xa:j+=Ba,1<Oj(c.B[h])&&(j+=Oj(c.B[h])));g=-1;for(f=1;f<=c.z;++f)if(c.r[f][0]==h){g=c.r[f][1];break}c.o.Ob&&0<c.e[h]&&(g=1);-1<g&&(j+=kb+g);o+=ba+j+ba+ZF(0.055999999999999994*c.K[h],0,2)+ba+ZF(0.055999999999999994*-c.N[h],
|
|
323
|
+
0,2)}for(h=1;h<=c.v;++h)f=c.I[h],g=c.J[h],n=c.t[h],1==c.C[h]?n=-1:2==c.C[h]?n=-2:3==c.C[h]?(n=-1,j=f,f=g,g=j):4==c.C[h]?(n=-2,j=f,f=g,g=j):10==c.C[h]&&(n=-5),9==c.t[h]&&(n=c.C[h]),o+=ba+f+ba+g+ba+n;c=o;0<c.length&&(0<e.length&&(e+=kh),e+=c)}return e}function jE(a,b){var c,d,e;e=l;for(c=1;c<=a.vb;++c){if(0<b&&(d=vF(a.gb[c]),d!=b))continue;d=void 0;d=$F(a.gb[c]);d=aG(d);0<d.length&&(0<e.length&&(e+=Wa),e+=d)}return e}
|
|
324
|
+
function tE(a){var b;switch(a.P){case 5:case 7:case 9:break;default:null!=a.tb&&ED(a.tb,null)}var c,d,e;e=new bG;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]=$F(d);else break;e.j=a.Gb;e.f=a.kb;e.c=a.C;e.d=a.P;if(b=c?e:null)a=a._,b=new cG(b),c=a.b.d,a.b.d=b,b.c=a.b,c&&(b.d=c,c.c=b),a.b=b}function oF(a,b,c,d){try{cF(a,b,d)?c&&tE(a):QD(a)}catch(e){if(e=Ui(e),A(e,124))QD(a);else throw e;}}
|
|
325
|
+
function NF(a,b,c){try{var d;a:{var e,f,g,j,h,n,o,r;dF(a,c);e=j=0;r=new CD(b,"|>",!0);g=-1<b.indexOf(qb);n=1;h=vD(r);a.vb=0;for(f=1;f<=h;++f)if(o=zD(r),ho(o),!H(o,kh))if(H(o,qb))++n,2==n?j=a.vb:3==n&&(e=a.vb+1);else{a.$=new dG(a,o);if(0==a.$.u){eG(a,"ERROR - problems in reading/processing molecule !");UC();d=!1;break a}++a.vb;a.f=a.vb;a.gb[a.vb]=a.$}2==n?(eG(a,"ERROR - strange reaction - fixing !"),UC(),d=!1):3<n?(eG(a,"ERROR - strange reaction !"),UC(),d=!1):(1<a.vb&&!g&&WF(a,Ff,!0),g&&!a.Gb&&WF(a,
|
|
326
|
+
hg,!0),!g&&a.Gb&&WF(a,Kf,!0),g?(vE(a,1,j,1),vE(a,j+1,e-1,2),vE(a,e,a.vb,3)):vE(a,1,a.vb,0),c&&QD(a),d=!0)}d?tE(a):QD(a)}catch(q){if(q=Ui(q),A(q,124))QD(a);else throw q;}}function fG(a){sE(a);a.nb=!0;QD(a)}function dF(a,b){a.d=202;a.qb=!1;a.vb=0;a.f=0;a.$=new BE(a);a.$.s=0;a.cb=null;a.C=1;a.nb=!0;b&&QD(a);null!=a.tb&&ED(a.tb,null)}
|
|
327
|
+
function lF(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]=$F(d):a.gb[c]=null;a.$=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&&ED(a.tb,null)}}function gG(a,b){a.lb=!0;a.K=l;return 1>b||b>a.vb?(a.lb=!0,a.K="ERROR - invalid mol index: "+b,QD(a),null):a.gb[b]}
|
|
328
|
+
function uE(a,b){var c;c=-1;H(b,"Select substituent")?(c=202,b=l):H(b,Ha)?c=235:H(b,Ia)?c=240:H(b,Ga)?c=260:H(b,Na)?c=261:H(b,Sa)?c=241:H(b,La)?c=233:H(b,Ka)?c=236:H(b,Ja)?c=237:H(b,Ra)?c=234:H(b,Qa)?c=243:H(b,Ta)?c=252:H(b,Oa)?c=244:H(b,Ua)?c=239:H(b,"-PO3H2")?c=251:H(b,Fa)?c=242:H(b,Da)?c=245:H(b,Ea)&&(c=238);0<c?Nr(a,c):b="Not known group!";a.lb=!0;a.K=b;QD(a)}function eG(a,b){a.lb=!0;a.K=b;QD(a)}function oE(a){var b;b=iE(a);sE(a);QD(a);return b}
|
|
329
|
+
function KE(a,b,c,d,e){var f,g,j,h;f=a.X;h=xC(f,e);if(h>=a.Z-1)for(g=f.c.c;h>=a.Z-1&&1<g;)--g,j=new GB(f.c.b,f.c.d,g),f=new wC(j),h=xC(f,e),b.f=j,b.j=hG(j);else OE(b,a.U);f=IB(f.c).b-IB(f.c).c;PE(b,e,c+~~((a.Z-h)/2),d+~~((a.Z-f)/2)+f)}function LE(a,b,c,d,e,f){var g,j;g=XE(a.W);j=xC(a.W,f);OE(b,a.V);(b.e=e)&&(b.i=kg+(e.b>>16&255)+za+(e.b>>8&255)+za+(e.b&255)+va);PE(b,f,c+~~((a.Z-j)/2),d+~~((a.Z-g)/2)+g)}function XE(a){return IB(a.c).b-IB(a.c).c}
|
|
330
|
+
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function LA(a,b){this.d=a;this.b=b;this.c=b.c;b.c.b=this;b.c=this}u(546,1,{},UH,LA);_.b=null;_.c=null;_.d=null;function lD(a,b){this.b=a;this.c=b}u(547,529,Uh,lD);_.Ef=function(){return this.b};_.Ff=function(){return this.c};_.Gf=function(a){var b;b=this.c;this.c=a;return b};_.b=null;_.c=null;function vw(){En()}u(548,97,{117:1,124:1,130:1,132:1,137:1},vw);function nD(a,b){return Ct(a)===Ct(b)||null!=a&&Kn(a,b)}function DB(a){var b=y(VA,m,90,0,0);return Ik(a.b,b)}function iA(){this.b=new ij}
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393
|
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u(550,531,Sh,iA);_.Hf=function(a,b){Zz(this.b,a,b)};_.Bf=function(a){return cj(this.b,a)};_.Cf=function(a){return-1!=Hj(this.b,a)};_.If=function(a){return Tu(this.b,a)};_.Ce=function(){return 0==this.b.d};_.Bd=function(){return new Oi(this.b)};_.Lf=function(a){return Wu(this.b,a)};_.Fe=function(){return this.b.d};_.tS=function(){return BH(this.b)};_.b=null;function pF(a){a.hc.d.hb&&JB(a)}function VH(a){var b;if(a.hc.d.hb){b=Az(a);var c=a.k,d=b.c;c.b=b.b;c.c=d}LB(a)}
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|
394
|
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function WH(a,b,c){a.b+=b;a.c+=c;a.b=0>a.b?0:a.b;a.c=0>a.c?0:a.c}function tF(a){var b=a.k;XH(a.hc.d,b.b,b.c);!zz(a)&&dA(a);Oz(a)}function YH(){OB.call(this,l);this.j=new YA(this.Of());xA(this.r,new ZH(this))}u(552,418,si);_.Pd=function(a,b){return Ct(a.i)===Ct(this.j)?(VH(this),!0):this.Pf(a,b)};_.Of=function(){return"Close"};_.Pf=function(){return!1};_.Id=function(){VH(this)};_.j=null;_.k=null;
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|
395
|
+
function DG(a,b,c){YH.call(this);this.hc&&QB(this.hc.d,!1);NB(this,!1);gA(this,new YB(0));a=new bC(a,1);R(this,a,null);a=new kA;R(a,this.j,null);R(this,a,null);b&&(this.k=Az(b),MB(this),WH(this.k,~~(G(b.Vb.pb,Rf)/2)-~~(this.mc/2),~~(G(b.Vb.pb,Qf)/2)-~~(this.cc/2)));c&&P(this,c)}u(551,552,si,DG);_.Of=function(){return"OK"};function mF(a){if(!(a.b!=a.c&&a.b.c!=a.c))throw new cw("Cannot undo. Index is out of range.");if(!a.b.c)throw new cw(Zb);a.b=a.b.c;return a.b.b}
|
|
396
|
+
function wG(){this.b=this.c=new $H}u(553,1,{},wG);_.b=null;function $H(){this.b=null}function cG(a){this.b=a}u(554,1,{},$H,cG);_.b=null;_.c=null;_.d=null;function ZH(a){this.b=a}u(555,453,pi,ZH);_.b=null;
|
|
397
|
+
function PD(a,b){var c,d,e;d=!1;if(null!=b){if(null!=a.b.Ab){ED(a.b.Ab,K(Gt,m,1,[b]));return}e=l;c=a.b.Ib;var f,g,j,h;if(null==b)c=0;else if(f=uH(b,"\\$\\$\\$\\$\r?\n?"),1>=f.length)c=0;else{for(j=0,h=f.length;j<h;++j)g=f[j],At(c.c,c.d++,g);c=f.length}0<c&&(e=". Use Page Up/Down for SDF access ("+c+va);try{cF(a.b,b,!0)?(Jr(a.b,"Structure pasted"+e),tE(a.b),pA(a.b),d=!0):(tF(new DG(a.b.K,a.b,YD)),dF(a.b,!0),pA(a.b))}catch(n){if(n=Ui(n),A(n,124))e=a.b,e.lb=!0,e.K="ERROR - invalid MOL ",QD(e),tF(new DG(a.b.K,
|
|
398
|
+
a.b,YD)),pA(a.b);else throw n;}}d&&a.b.Me(b)}function Gr(a){this.b=a}u(556,1,{},Gr);_.b=null;function mE(){mE=x;nE=new aI("COPY_SMILES",0);pE=new aI("COPY_MOL",1);qE=new aI("PASTE",2);bI=K(cI,m,139,[nE,pE,qE])}function aI(a,b){I.call(this,a,b)}u(557,140,{117:1,121:1,123:1,139:1},aI);var bI,pE,nE,qE;function bG(){this.e=y(kG,m,140,99,0)}u(558,1,{},bG);_.b=0;_.c=1;_.d=0;_.f=!1;_.i=0;_.j=!1;
|
|
399
|
+
function dI(a){a.c=y(M,s,-1,20,1);a.B=y(M,s,-1,20,1);a.K=y(wE,m,-1,20,1);a.N=y(wE,m,-1,20,1);a.H=ht([20,7]);a.e=y(M,s,-1,20,1);a.d=y(Gt,m,1,20,0);a.p=y(Gt,m,1,20,0);a.y=y(M,s,-1,20,1);a.A=y(M,s,-1,20,1);a.I=y(M,s,-1,20,1);a.J=y(M,s,-1,20,1);a.t=y(M,s,-1,20,1);a.C=y(M,s,-1,20,1);a.L=y(M,s,-1,20,1);a.O=y(M,s,-1,20,1);a.f=y(Gt,m,1,20,0);a.r=ht([10,2]);a.j=y(M,s,-1,101,1)}
|
|
400
|
+
function eI(a,b,c,d){var e,f,g,j,h,n,o,r,q;h=y(M,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);q=g/o;e=f/o;n=y(M,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]));r=y(wE,m,-1,4,1);d=y(wE,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])*q,g=(a.N[n[j]]-a.N[b])*e-(a.K[n[j]]-a.K[b])*q,o=Math.sqrt(f*f+g*g),0.001>o&&(o=0.001),r[j]=g/o,d[j]=f/o);a=fI(r[1],d[1],r[2],d[2]);0<n[3]?(b=
|
|
401
|
+
fI(r[2],d[2],r[3],d[3]),d=fI(r[1],d[1],r[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}
|
|
402
|
+
function W(a,b){var c,d,e,f,g,j,h,n;MF(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=gI(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]-
|
|
403
|
+
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(wE,m,-1,2,1);hI(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==PF(a,a.u)||g==a.A[a.E]);++g);break;default:--a.u;Jr(a.o,"Are you trying to draw an hedgehog ?");a.o.P=9;return}a.A[a.u]=
|
|
404
|
+
1;++a.A[a.E];TF(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&&LF(a,a.v);a.H[a.u][1]=a.E;a.H[a.E][a.A[a.E]]=a.u;a.L[a.v]=O(N(UE((a.K[a.E]+a.K[a.u])/2)));a.O[a.v]=O(N(UE((a.N[a.E]+a.N[a.u])/2)));a.M=a.K[a.u];a.P=a.N[a.u]}
|
|
405
|
+
function JF(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)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.q=!1,a.E=a.u-1,W(a,0),a.E=a.u-2,W(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-
|
|
406
|
+
2]=5,a.c[a.u-3]=7,a.t[a.v]=2),c=4;else if(244==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.c[a.u]=8,a.E=a.u,a.q=!0,W(a,0),a.q=!1,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-2,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=5;else if(234==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,a.o.zb&&HF(a,a.E,1),W(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.o.zb?(a.t[a.v]=1,HF(a,a.u,-1)):a.t[a.v]=2,c=3;else if(235==a.o.d)W(a,0),a.E=a.u,W(a,0),a.c[a.u]=5,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(240==a.o.d)W(a,0),a.E=
|
|
407
|
+
a.u,W(a,0),a.c[a.u]=5,a.E=a.u,W(a,0),a.E=a.u-2,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=4;else if(260==a.o.d)W(a,0),a.E=a.u,W(a,0),a.c[a.u]=4,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(261==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(241==a.o.d)W(a,0),a.c[a.u]=5,a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.E=a.u-1,W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=4;else if(243==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.E=a.u-1,W(a,0),c=3;else if(238==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.t[a.v]=
|
|
408
|
+
3,a.q=!1,c=2;else if(249==a.o.d)W(a,0),a.E=a.u,W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=2;else if(250==a.o.d)W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=1;else if(245==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.E=a.u,a.t[a.v]=3,W(a,0),a.q=!1,c=3;else if(242==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.t[a.v]=3,a.c[a.u]=4,a.q=!1,c=2;else if(254==a.o.d)W(a,0),a.c[a.u]=9,c=1;else if(255==a.o.d)W(a,0),a.c[a.u]=10,c=1;else if(256==a.o.d)W(a,0),a.c[a.u]=11,c=1;else if(257==a.o.d)W(a,0),a.c[a.u]=12,c=1;else if(258==a.o.d)W(a,0),a.c[a.u]=4,
|
|
409
|
+
c=1;else if(259==a.o.d)W(a,0),a.c[a.u]=5,c=1;else if(246==a.o.d)W(a,0),a.E=a.u,W(a,0),c=2;else if(247==a.o.d)W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),c=3;else if(248==a.o.d)W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),c=4;else if(253==a.o.d){var d,e,f,g,j,h,n,o,r,q,t;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;W(a,0);e=a.K[a.u];g=a.N[a.u];xF(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)MF(a),a.c[a.u]=o.c[h],a.B[a.u]=o.B[h],
|
|
410
|
+
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)TF(a),a.I[a.v]=o.I[h]+d,a.J[a.v]=o.J[h]+d,a.t[a.v]=o.t[h];wF(a);a.E=c+d;W(a,0);o=a.K[a.u];q=a.N[a.u];xF(a,a.u);f=a.K[c+d]-o;j=a.N[c+d]-q;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]-=q,r=a.K[h]*f+a.N[h]*j,t=a.N[h]*f-a.K[h]*j,a.K[h]=r,a.N[h]=t,r=-a.K[h]*e+a.N[h]*g,t=-a.N[h]*e-a.K[h]*g,a.K[h]=r,a.N[h]=t,a.K[h]+=a.K[n],a.N[h]+=a.N[n];TF(a);a.I[a.v]=n;a.J[a.v]=c+d;wF(a);b&&(xF(a,n),yE(a))}c=4}iI(a,c);a.E=a.G;b&&
|
|
411
|
+
(a.E=0)}
|
|
412
|
+
function hI(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]+
|
|
413
|
+
c*g/h,d[1]=a.N[b]+c*j/h)}
|
|
414
|
+
function IF(a){var b,c,d,e,f,g,j,h,n,o,r,q,t;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])jI(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,W(a,0),a.E=a.u,jI(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){Jr(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
|
|
415
|
+
return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[gI(a,a.E,a.H[a.E][d])],2<d||1!=b){Jr(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(wE,m,-1,2,1);hI(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)MF(a),r=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*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]!=
|
|
416
|
+
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;r=o/2;t=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&&(t=-t,o=0);q=a.K[b]+r*e-t*g;t=a.N[b]+t*e+r*g;for(d=1;d<=j;++d)MF(a),r=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=t+h*(Math.cos(r)*e+Math.sin(r)*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]=
|
|
417
|
+
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)MF(a),r=f*(d-b),a.K[a.u]=a.M+h*Math.sin(r),a.N[a.u]=a.P+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)TF(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]]&&
|
|
418
|
+
(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[gI(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],
|
|
419
|
+
1<a.t[gI(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(M,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]=O(N(UE((a.K[b]+a.K[e])/2))),a.O[c]=O(N(UE((a.N[b]+a.N[e])/
|
|
420
|
+
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;TF(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]=O(N(UE((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
|
|
421
|
+
2)));a.O[a.v]=O(N(UE((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(TF(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]=O(N(UE((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(UE((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(TF(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]=O(N(UE((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(UE((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<
|
|
422
|
+
h[f]&&(xF(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&&iI(a,j);-1<n&&(a.E=n)}
|
|
423
|
+
function jI(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)MF(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 iI(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=PF(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
|
|
424
|
+
function gI(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 kI(a,b,c){var d,e,f,g;e=mh;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(lu(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)lu(c[d])&&!$t(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)fu(c[d],e)&&(b[d]=g,c[d]=mh,++f);if(f==a.u)break}return g==a.u}
|
|
425
|
+
function yE(a){var b,c,d;b=y(wE,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{xE(a,b);c=~~(c/2)-O(N(Math.round(b[0])));d=~~(d/2)-O(N(Math.round(b[1])));if(!a.o.rb)for(b=1;b<=a.u;++b)a.K[b]+=c,a.N[b]+=d;zE(a)}}
|
|
426
|
+
function xE(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)}
|
|
427
|
+
function HF(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=lI(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&&Jr(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?Jr(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?Jr(a.o,"Charge change not possible on multibonded N or P !"):
|
|
428
|
+
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?Jr(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:Jr(a.o,"Charge change not possible on the halogen !");break;case 18:Jr(a.o,
|
|
429
|
+
"Use X button to change charge on the X atom !")}}
|
|
430
|
+
function jF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(M,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(M,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&&xF(a,c);yE(a);Jr(a.o,"Smaller part(s) removed !");return 1}
|
|
431
|
+
function PF(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}
|
|
432
|
+
function UF(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];zF(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),zF(a));4==a.t[d]&&(a.t[d]=1)}}
|
|
433
|
+
function fI(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 wF(a){var b;mI(a);b=a.t.length;a.L=y(M,s,-1,b,1);a.O=y(M,s,-1,b,1);zE(a);zF(a)}
|
|
434
|
+
function MF(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(M,s,-1,c,1),AH(a.c,b,a.c.length),a.c=b,b=y(M,s,-1,c,1),AH(a.B,b,a.B.length),a.B=b,b=y(M,s,-1,c,1),AH(a.y,b,a.y.length),a.y=b,b=y(M,s,-1,c,1),AH(a.e,b,a.e.length),a.e=b,b=y(Gt,m,1,c,0),AH(a.d,b,a.d.length),a.d=b,b=y(Gt,m,1,c,0),AH(a.p,b,a.p.length),a.p=b,b=y(wE,m,-1,c,1),AH(a.K,b,a.K.length),a.K=b,b=y(wE,m,-1,c,1),AH(a.N,b,a.N.length),a.N=b,b=ht([c,7]),AH(a.H,b,a.H.length),a.H=b,c=y(M,s,-1,c,1),AH(a.A,c,a.A.length),a.A=c);a.c[a.u]=
|
|
435
|
+
3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function $E(a,b,c,d,e,f,g){var j;j=O(N(UE(a.K[c]-d/2)));g||(j-=e-d);a=O(N(UE(a.N[c]-~~(f/2))));return new cA(j-1-b,a-b,e+1+2*b,f+2*b)}
|
|
436
|
+
function TF(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(M,s,-1,b,1),AH(a.I,c,a.I.length),a.I=c,c=y(M,s,-1,b,1),AH(a.J,c,a.J.length),a.J=c,c=y(M,s,-1,b,1),AH(a.t,c,a.t.length),a.t=c,c=y(M,s,-1,b,1),AH(a.C,c,a.C.length),a.C=c,c=y(M,s,-1,b,1),AH(a.L,c,a.L.length),a.L=c,c=y(M,s,-1,b,1),AH(a.O,c,a.O.length),a.O=c,b=y(Gt,m,1,b,0),AH(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
|
|
437
|
+
function CF(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+=(WD(),aa);j+="JME 2013-10-12 "+new OH+"\n \n";j+=BF(a.u,3)+BF(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+=ZF(0.055999999999999994*(a.K[e]-c),10,4)+ZF(0.055999999999999994*(g-a.N[e]),10,4)+ZF(0,10,4);h=ZE(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
|
|
438
|
+
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"+BF(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+=BF(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:nI(a,e)&&(g=2),c=BF(a.I[e],3)+BF(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=BF(a.J[e],3)+BF(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=BF(a.J[e],3)+BF(a.I[e],3)),j+=c+BF(g,3)+BF(d,3)+" 0 0 0\n";
|
|
439
|
+
for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M CHG 1"+BF(e,4)+BF(a.B[e],4)+aa);return j+"M END\n"}
|
|
440
|
+
function aG(a){var b,c,d,e,f,g,j,h,n,o,r,q,t,v,D,E,J,Q,ub,Y,L,ea,Kc,og,zb,Td,Ud,Vd,Za,Lc;r=y(M,s,-1,a.u+10,1);q=y(M,s,-1,a.u+10,1);n=y(M,s,-1,a.u+1,1);o=y(M,s,-1,7,1);zb=y(M,s,-1,a.u+1,1);v=y(oI,m,-1,a.u+1,2);D=y(oI,m,-1,a.v+1,2);ea=0;if(0==a.u)return l;jF(a,!0);og=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){og=!1;break}if(a.o.t&&og){pI(a);UF(a);qI(a,D);rI(a,v,D);var Ib,zd,pf,ec,Ge,Ad,Bd,ib,vJ,ae,w,ya,an,bn,it,vf,Pa,cn,dn,Oc,en;Ib=y(M,s,-1,a.u+1,1);zd=y(M,s,-1,a.u+1,1);ib=y(sI,m,-1,a.u+1,3);var jt=a.u,fn,
|
|
441
|
+
Dh,kt,Ag,Pj,Ne,wf;Pj=y(sI,m,-1,jt+2,3);Ne=y(M,s,-1,100,1);wf=5;Ag=0;Ne[0]=3;Pj[1]=oh;Pj[2]=ph;kt=2;if(!(3>jt))for(;wf<Ne[Ag]*Ne[Ag];){Dh=0;for(fn=!0;fn&&Dh<=Ag&&wf>=Ne[Dh]*Ne[Dh];)0==wf%Ne[Dh]?fn=!1:++Dh;if(fn){Pj[++kt]=iu(wf);if(kt>=jt)break;Ag<Ne.length-1&&(++Ag,Ne[Ag]=wf)}wf+=2}for(w=1;w<=a.u;++w){for(ya=dn=1;ya<=a.v;++ya)(a.I[ya]==w||a.J[ya]==w)&&(dn*=a.i[ya]);cn=a.c[w];18==cn&&(en=a.p[w],Ad=en.charCodeAt(0)-65+1,Bd=0,1<en.length&&(Bd=en.charCodeAt(1)-97),0>Ad&&(Ad=0),0>Bd&&(Bd=0),cn=28*Ad+Bd);
|
|
442
|
+
vf=0;-2>a.B[w]?vf=1:-2==a.B[w]?vf=2:-1==a.B[w]?vf=3:1==a.B[w]?vf=4:2==a.B[w]?vf=5:2<a.B[w]&&(vf=6);Oc=1;ib[w]=iu(dn);Oc*=126;ib[w]=du(ib[w],iu(a.y[w]*Oc));Oc*=7;ib[w]=du(ib[w],iu(vf*Oc));Oc*=7;ib[w]=du(ib[w],iu(cn*Oc));Oc*=783;ib[w]=du(ib[w],iu(a.A[w]*Oc))}for(Ge=0;!kI(a,Ib,ib);){it=!1;for(w=1;w<=a.u;++w)Ib[w]!=zd[w]&&(zd[w]=Ib[w],it=!0);if(it){for(w=1;w<=a.u;++w){ib[w]=nh;for(ya=1;ya<=a.A[w];++ya)ib[w]=mu(ib[w],Pj[Ib[a.H[w][ya]]])}Ge=0}else if(0<Ge){for(w=1;w<=a.u;++w)ib[w]=nh;w=1;a:for(;w<=a.u-
|
|
443
|
+
1;++w)for(ya=w+1;ya<=a.u;++ya)if(Ib[w]==Ib[ya]){ib[w]=oh;break a}}else{for(w=1;w<=a.u;++w){ib[w]=nh;for(ya=1;ya<=a.A[w];++ya)pf=a.H[w][ya],ib[w]=mu(ib[w],iu(a.c[pf]*a.i[gI(a,w,pf)]))}Ge=1}kI(a,Ib,ib);for(w=1;w<=a.u;++w)ib[w]=iu(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];
|
|
444
|
+
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]&&(ae=a.I[w],a.I[w]=a.J[w],a.J[w]=ae,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){bn=an=
|
|
445
|
+
a.u;ec=0;for(ya=w;ya<=a.v;++ya)a.I[ya]<an?(an=a.I[ya],bn=a.J[ya],ec=ya):a.I[ya]==an&&a.J[ya]<bn&&(bn=a.J[ya],ec=ya);ae=a.I[w];a.I[w]=a.I[ec];a.I[ec]=ae;ae=a.J[w];a.J[w]=a.J[ec];a.J[ec]=ae;ae=a.t[w];a.t[w]=a.t[ec];a.t[ec]=ae;ae=a.C[w];a.C[w]=a.C[ec];a.C[ec]=ae;vJ=a.f[w];a.f[w]=a.f[ec];a.f[ec]=vJ}wF(a);zF(a);qI(a,D);rI(a,v,D)}else{qI(a,D);a.i=y(M,s,-1,a.v+1,1);for(t=1;t<=a.v;++t)a.i[t]=a.t[t]}c=1;a.b=y(M,s,-1,a.u+1,1);Lc=1;a.b[1]=1;for(Y=0;;){L=0;for(t=1;t<=a.A[c];++t)if(g=a.H[c][t],0<a.b[g]){if(!(a.b[g]>
|
|
446
|
+
a.b[c])&&g!=zb[c]){Kc=!0;for(J=1;J<=ea;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Kc=!1;break}Kc&&(++ea,r[ea]=c,q[ea]=g)}}else o[++L]=g;if(0==L){if(Lc==a.u)break;c=n[Y--]}else if(1==L)zb[o[1]]=c,c=o[1],a.b[c]=++Lc;else{n[++Y]=c;e=0;for(t=1;t<=L;++t)if(h=gI(a,o[t],c),!D[h]){e=o[t];break}if(0==e)for(t=1;t<=L;++t)if(h=gI(a,o[t],c),2==a.i[h]||3==a.i[h]){e=o[t];break}0==e&&(e=o[1]);zb[e]=c;c=e;a.b[e]=++Lc}}zb=y(M,s,-1,a.u+1,1);b=y(M,s,-1,a.u+1,1);Q=y(oI,m,-1,a.u+1,2);Td=y(oI,m,-1,a.u+1,2);f=Lc=Y=0;for(t=
|
|
447
|
+
1;t<=a.u;++t)if(1==a.b[t]){c=t;break}a:for(;;){0<f&&(zb[c]=f);b[++Lc]=c;for(a.b[c]=0;;){L=e=0;ub=a.u+1;t=1;b:for(;t<=a.A[c];++t){g=a.H[c][t];for(E=1;E<=ea;++E)if(r[E]==g&&q[E]==c||r[E]==c&&q[E]==g)continue b;0<a.b[g]&&(++L,a.b[g]<ub&&(e=g,ub=a.b[g]))}if(0==e){if(0==Y)break a;Td[c]=!0;c=n[Y--]}else break}f=c;c=e;1<L&&(n[++Y]=f,Q[e]=!0)}Ud=y(M,s,-1,a.v+1,1);Vd=y(M,s,-1,a.u+1,1);if(a.o.Pb){var xJ=zb,EN=ea,lt,yJ,Eh,Oe,mt,nt,Ma,Qj,ot;Eh=y(M,s,-1,a.u+1,1);for(Ma=1;Ma<=a.u;++Ma)Eh[b[Ma]]=Ma;mt=y(oI,m,-1,
|
|
448
|
+
a.v+1,2);for(Ma=1;Ma<=a.u;++Ma)lt=b[Ma],yJ=xJ[lt],Oe=gI(a,lt,yJ),0!=Oe&&(tI(a,Oe,Eh,Ud,D),mt[Oe]=!0);for(Ma=1;Ma<=a.v;++Ma)mt[Ma]||tI(a,Ma,Eh,Ud,D);Ma=1;a:for(;Ma<=a.u;++Ma)if(!(2>a.A[Ma]||4<a.A[Ma])){nt=ot=0;for(Qj=1;Qj<=a.A[Ma];++Qj){Oe=gI(a,Ma,a.H[Ma][Qj]);if(5==a.i[Oe])continue a;1==a.t[Oe]&&0!=uI(a,Oe,Ma)&&++ot;2==a.t[Oe]&&(nt=a.H[Ma][Qj])}if(0!=ot)if(0<nt){var ja=a,AJ=Ma,xf=Eh,Zc=Vd,tc=void 0,Rj=void 0,Pc=void 0,Pe=void 0,Qc=void 0,gn=void 0,hn=void 0,jn=void 0,be=void 0,$c=void 0,ad=void 0,
|
|
449
|
+
pt=void 0,Sj=void 0,ce=void 0,Tj=void 0,Qe=void 0,Uj=void 0,qt=void 0,Vj=void 0,Re=void 0,BJ=void 0,yf=void 0,CJ=void 0,rt=void 0,Wj=void 0,zf=void 0,ad=1,Rj=AJ,tc=y(M,s,-1,ja.u+1,1);for(tc[1]=AJ;;){pt=!1;for($c=1;$c<=ja.A[Rj];++$c)if(Pc=ja.H[Rj][$c],!(Pc==tc[1]||Pc==tc[ad-1]))if(Pe=gI(ja,Rj,Pc),2==ja.t[Pe]&&5!=ja.i[Pe]){Rj=tc[++ad]=Pc;pt=!0;break}if(!pt)break}if(!(0==ad%2||2>ja.A[tc[ad]]||3<ja.A[tc[ad]])){zf=tc[1];Qc=tc[~~((ad+1)/2)];be=tc[ad];yf=Re=Qe=ce=0;rt=qt=!1;for($c=1;$c<=ja.A[zf];++$c)Pc=
|
|
450
|
+
ja.H[zf][$c],Pe=gI(ja,zf,Pc),1!=ja.t[Pe]||5==ja.i[Pe]||(0==ce?ce=Pc:Qe=Pc);0<xf[Qe]&&xf[ce]>xf[Qe]&&(gn=ce,ce=Qe,Qe=gn);Sj=ce;0==ce&&(Sj=Qe,qt=!0);for($c=1;$c<=ja.A[be];++$c)Pc=ja.H[be][$c],Pe=gI(ja,be,Pc),1!=ja.t[Pe]||5==ja.i[Pe]||(0==Re?Re=Pc:yf=Pc);0<xf[yf]&&xf[Re]>xf[yf]&&(gn=Re,Re=yf,yf=gn);Vj=Re;0==Re&&(Vj=yf,rt=!0);Tj=uI(ja,gI(ja,zf,ce),zf);Uj=uI(ja,gI(ja,zf,Qe),zf);BJ=uI(ja,gI(ja,be,Re),be);CJ=uI(ja,gI(ja,be,yf),be);1<(0>Tj+Uj?-(Tj+Uj):Tj+Uj)||0!=BJ||0!=CJ?Jr(ja.o,"Bad stereoinfo on allene !"):
|
|
451
|
+
(hn=ja.K[tc[ad-1]]-ja.K[be],jn=ja.N[tc[ad-1]]-ja.N[be],Wj=Math.sqrt(hn*hn+jn*jn),0.001>Wj&&(Wj=0.001),0<(ja.N[Vj]-ja.N[tc[ad-1]])*(hn/Wj)-(ja.K[Vj]-ja.K[tc[ad-1]])*(jn/Wj)?Zc[Qc]=1:Zc[Qc]=-1,qt&&(Zc[Qc]*=-1),rt&&(Zc[Qc]*=-1),Sj==ce&&0>Tj&&(Zc[Qc]*=-1),Sj==Qe&&0>Uj&&(Zc[Qc]*=-1),xf[Sj]>xf[Vj]&&(Zc[Qc]*=-1))}}else b:{var uc=a,vc=Ma,FN=xJ,GN=Eh,HN=r,IN=q,JN=EN,kn=Vd,ln=void 0,bd=void 0,st=void 0,Fh=void 0,Ca=void 0,Gh=void 0,Dd=void 0,Xj=void 0,de=void 0,Sb=void 0,ha=void 0,Kb=void 0,Se=void 0,mn=void 0,
|
|
452
|
+
cd=void 0,na=void 0,nn=void 0,Kb=y(M,s,-1,4,1),mn=y(M,s,-1,4,1),Hh=uc,ee=vc,DJ=GN,tt=FN,EJ=HN,FJ=IN,KN=JN,Lb=Kb,Yj=void 0,dd=void 0,on=void 0,pn=void 0,ut=void 0,Zj=void 0,Zj=-1;0<tt[ee]&&(Lb[++Zj]=tt[ee]);for(dd=1;dd<=KN;++dd)EJ[dd]==ee&&(Lb[++Zj]=FJ[dd]),FJ[dd]==ee&&(Lb[++Zj]=EJ[dd]);for(dd=Zj+1;dd<Hh.A[ee];++dd){ut=Hh.u+1;on=1;c:for(;on<=Hh.A[ee];++on){Yj=Hh.H[ee][on];for(pn=0;pn<dd;++pn)if(Yj==Lb[pn])continue c;DJ[Yj]<ut&&(ut=DJ[Yj],Lb[dd]=Yj)}}0==tt[ee]&&0<Hh.y[ee]?(Lb[3]=Lb[2],Lb[2]=Lb[1],Lb[1]=
|
|
453
|
+
Lb[0],Lb[0]=-1):0<Hh.y[ee]&&(Lb[3]=Lb[2],Lb[2]=Lb[1],Lb[1]=-1);for(Ca=Xj=Gh=Fh=nn=Dd=Sb=0;4>Ca;++Ca)0>=Kb[Ca]||(ln=gI(uc,vc,Kb[Ca]),mn[Ca]=uI(uc,ln,vc),0<mn[Ca]?(++Sb,nn=Kb[Ca],Gh=Kb[Ca]):0>mn[Ca]?(++Dd,Fh=Kb[Ca],Gh=Kb[Ca]):Xj=Kb[Ca]);de=Sb+Dd;na=y(M,s,-1,4,1);cd=0;if(3==uc.A[vc]){if(1==Sb&&1==Dd||3==de&&0<Sb&&0<Dd){Jr(uc.o,"Error in C3H stereospecification !");break b}Se=Kb[0];1==de?Se=Gh:2==de&&(Se=Xj);ha=eI(uc,vc,Se,Kb);na[0]=Gh;na[1]=-1;na[2]=ha[2];na[3]=ha[1];0<Sb?cd=1:cd=-1}else if(4==uc.A[vc])if(1==
|
|
454
|
+
de)ha=eI(uc,vc,Gh,Kb),na[0]=ha[0],na[1]=ha[3],na[2]=ha[2],na[3]=ha[1],0<Sb?cd=1:cd=-1;else{Se=Kb[0];1<Xj&&(Se=Xj);1==Sb?Se=nn:1==Dd&&(Se=Fh);ha=eI(uc,vc,Se,Kb);bd=y(M,s,-1,4,1);for(Ca=0;4>Ca;++Ca)ln=gI(uc,vc,ha[Ca]),bd[Ca]=uI(uc,ln,vc);if(4==de){if(0==Sb||0==Dd){Jr(uc.o,"Error in C4 stereospecification !");break b}if(1==Sb||1==Dd)na[0]=ha[0],na[1]=ha[3],na[2]=ha[2],na[3]=ha[1],cd=bd[0];else{for(Ca=0;4>Ca;++Ca)-1==bd[Ca]&&(bd[Ca]=0);de=2}}else if(3==de)if(3==Sb||3==Dd)na[0]=ha[0],na[1]=ha[3],na[2]=
|
|
455
|
+
ha[2],na[3]=ha[1],0<Sb?cd=-1:cd=1;else{1==Sb?Sb=st=1:Dd=st=-1;for(Ca=0;4>Ca;++Ca)bd[Ca]==st&&(bd[Ca]=0);de=2}if(2==de)if(1==Sb&&1==Dd)ha[1]==Fh?(ha[1]=ha[2],ha[2]=ha[3]):ha[2]==Fh&&(ha[2]=ha[3]),na[0]=nn,na[1]=Fh,na[2]=ha[2],na[3]=ha[1],cd=1;else{if(bd[0]==bd[1]||bd[1]==bd[2]){Jr(uc.o,"Error in C4 stereospecification ! 2/0r");break b}0!=bd[0]?(na[0]=ha[0],na[1]=ha[2],na[2]=ha[1],na[3]=ha[3]):(na[0]=ha[1],na[1]=ha[3],na[2]=ha[2],na[3]=ha[0]);1<Sb?cd=1:cd=-1}}var $=na,$j=Kb,pb=void 0;$j[0]==$[1]?(pb=
|
|
456
|
+
$[0],$[0]=$[1],$[1]=pb,pb=$[2],$[2]=$[3],$[3]=pb):$j[0]==$[2]?(pb=$[2],$[2]=$[0],$[0]=pb,pb=$[1],$[1]=$[3],$[3]=pb):$j[0]==$[3]&&(pb=$[3],$[3]=$[0],$[0]=pb,pb=$[1],$[1]=$[2],$[2]=pb);$j[1]==$[2]?(pb=$[1],$[1]=$[2],$[2]=pb,pb=$[2],$[2]=$[3],$[3]=pb):$j[1]==$[3]&&(pb=$[1],$[1]=$[3],$[3]=pb,pb=$[2],$[2]=$[3],$[3]=pb);na[2]==Kb[2]?kn[vc]=1:na[2]==Kb[3]?kn[vc]=-1:Jr(uc.o,"Error in stereoprocessing ! - t30");kn[vc]*=cd}}}Za=new zH;j=y(M,s,-1,a.u+1,1);for(t=1;t<=a.u;++t)j[b[t]]=t;for(t=1;t<=a.u;++t){c=b[t];
|
|
457
|
+
Q[c]&&(Za.b.b+=ua);0<zb[t]&&vI(a,c,zb[c],Za,Ud);var Ih=v[c],Mb=void 0,ak=void 0,Jh=void 0,V=void 0,V=Nc,Mb=!1;0!=a.B[c]&&(Mb=!0);0!=Vd[c]&&(Mb=!0);Jh=-1;for(ak=1;ak<=a.z;++ak)if(a.r[ak][0]==c){Jh=a.r[ak][1];break}-1<Jh&&(Mb=!0);a.o.Ob&&0<a.e[c]&&(Mb=!0,Jh=1);switch(a.c[c]){case 2:V=yb;break;case 3:Ih?V="c":V=Cb;break;case 4:Ih?(V=Gf,0<a.y[c]&&(Mb=!0)):V=fc;break;case 5:Ih?V="o":V=mc;break;case 7:Ih?(V="p",0<a.y[c]&&(Mb=!0)):V=oc;break;case 8:Ih?V=sg:V=Cc;break;case 13:Ih?V=vg:V=Ec;Mb=!0;break;case 6:V=
|
|
458
|
+
Fc;Mb=!0;break;case 9:V=Qb;break;case 10:V=Gb;break;case 11:V=Bb;break;case 12:V=Xb;break;case 1:V=Vb;Mb=!0;break;case 19:V=pc;Mb=!0;break;case 20:V=qc;Mb=!0;break;case 21:V=rc;Mb=!0;break;case 22:V=sc;Mb=!0;break;case 18:Mb=!0,V=a.p[c],(H(V,wa)||H(V,Xc)||H(V,tb))&&(Mb=!1)}Mb&&(V=Rc+V,1==Vd[c]?V+=sb:-1==Vd[c]&&(V+="@@"),1==a.y[c]?V+=Vb:1<a.y[c]&&(V+=Vb+a.y[c]),0!=a.B[c]&&(0<a.B[c]?V+=xa:V+=Ba,1<Oj(a.B[c])&&(V+=Oj(a.B[c]))),-1<Jh&&(V+=kb+Jh),V+=Uc);yn(Za.b,V);for(E=1;E<=ea;++E)if(r[E]==c||q[E]==c)d=
|
|
459
|
+
q[E],d==c&&(d=r[E]),j[c]<j[d]&&vI(a,r[E],q[E],Za,Ud),9<E&&(Za.b.b+="%"),xn(Za,l+(new S(E)).b);Td[c]&&(Za.b.b+=va)}return Za.b.b}function $F(a){a=new kE(a);wF(a);return a}
|
|
460
|
+
function xF(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)AE(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],
|
|
461
|
+
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]}}
|
|
462
|
+
function yF(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]&&xF(a,c);0==a.A[d]&&xF(a,d)}
|
|
463
|
+
function pI(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=gI(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&xF(a,c)}}}function mI(a){var b;b=a.c.length;a.H=ht([b,7]);a.A=y(M,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])}
|
|
464
|
+
function rI(a,b,c){var d,e,f,g,j,h,n,o,r;a.i=y(M,s,-1,a.v+1,1);r=y(oI,m,-1,a.u+1,2);for(h=1;h<=a.u;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[gI(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:r[h]=!0;break;case 18:0==a.p[h].indexOf(tb)?r[h]=!1:r[h]=!0}}if(a.n){var q;d=y(oI,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=
|
|
465
|
+
a.I[h];g=a.J[h];e=y(oI,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(q=!1;;){for(n=1;n<=a.u;++n){q=!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]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:nI(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],
|
|
466
|
+
g=a.J[j],r[f]&&r[g])){d=y(oI,m,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&r[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]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function zE(a){var b,c,d;for(d=1;d<=a.v;++d)b=a.I[d],c=a.J[d],a.L[d]=O(N(UE((a.K[b]+a.K[c])/2))),a.O[d]=O(N(UE((a.N[b]+a.N[c])/2)))}function qI(a,b){var c;for(c=1;c<=a.v;++c)aF(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
|
|
467
|
+
function ZE(a,b){var c;c=(WD(),bE)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function nI(a,b){return 2==a.t[b]?!0:!1}function aF(a,b,c){var d,e,f,g;g=1;a.b=y(M,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]}
|
|
468
|
+
function KF(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=ht([b+5,2]),AH(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 uF(a){var b;a.z=0;a.s=0;aG(a);for(b=1;b<=a.u;++b)a.E=b,KF(a);a.E=0}
|
|
469
|
+
function vF(a){var b,c;b=y(wE,m,-1,4,1);xE(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 rE(a,b){var c,d,e,f,g,j,h,n;c=y(wE,m,-1,4,1);xE(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;xE(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
|
|
470
|
+
function XF(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}
|
|
471
|
+
function AF(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Rc)&&tH(c,Uc))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(mb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(kb);e=c.indexOf(Vb);g=Nj(c.indexOf(xa),c.indexOf(Ba));if(-1<d){j=io(c,d+1);try{a.o.z=hD(j,10)}catch(h){if(h=Ui(h),A(h,124))a.o.z=0;else throw h;}a.E=b;KF(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,
|
|
472
|
+
g-0));a.c[b]=H(d,Cb)?3:H(d,yb)?2:H(d,fc)?4:H(d,mc)?5:H(d,oc)?7:H(d,Cc)?8:H(d,Qb)?9:H(d,Gb)?10:H(d,Bb)?11:H(d,Xb)?12:H(d,Vb)?1:H(d,Ec)?13:H(d,Fc)?6:H(d,pc)?19:H(d,qc)?20:H(d,rc)?21:H(d,sc)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=eH(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=eH(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=eH(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=eH(c,g++);for(;45==e;)--d,e=eH(c,g++)}a.B[b]=d}}}
|
|
473
|
+
function iF(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new DD(b);try{for(;b.k=wD(b,b.b),b.k<b.j;)d=gF(hD(zD(b),10)).b,c=e=gF(hD(zD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Ui(f),A(f,124))vn(f);else throw f;}}function vI(a,b,c,d,e){b=gI(a,b,c);5!=a.i[b]&&nI(a,b)?d.b.b+=ob:3==a.t[b]?d.b.b+=la:9==a.t[b]?(e=rb,a=a.f[b],null!=a&&(e=a),yn(d.b,e)):1==e[b]?d.b.b+=Xa:-1==e[b]&&(d.b.b+=Tc)}
|
|
474
|
+
function LF(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,Jr(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:Jr(a.o,"Stereomarking allowed only on single and double bonds!")}
|
|
475
|
+
function tI(a,b,c,d,e){var f,g,j,h,n,o,r,q,t;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);r=o=b=0;q=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=gI(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=gI(a,e,r),0!=d[h]?b=r:1==a.t[h]&&5!=a.i[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
|
|
476
|
+
r=j,j=g);h=gI(a,f,r);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=r);0==o&&(h=gI(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,r=(a.N[b]-a.N[e])*h-(a.K[b]-a.K[e])*g,t=(a.N[o]-a.N[e])*h-(a.K[o]-a.K[e])*g,2>(0>=r?0-r:r)||2>(0>=t?0-t:t))Jr(a.o,"Not unique E/Z geometry !");else{j=gI(a,b,e);f=gI(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=gI(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==
|
|
477
|
+
d[f]&&(0<r&&0<t||0>r&&0>t?d[f]=-d[j]:d[f]=d[j],q&&(d[f]=-d[f]))}}}function lI(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=gI(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(nI(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function uI(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}
|
|
478
|
+
function zF(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=lI(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]=
|
|
479
|
+
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]=
|
|
480
|
+
0}0>c.y[d]&&(c.y[d]=0)}}}function BE(a){dI(this);this.o=a;this.z=this.v=this.u=0}
|
|
481
|
+
function hF(a,b){var c,d,e,f,g,j,h;BE.call(this,a);f=l;j=eF(b);if(null!=j){h=new CD(b,j,!0);for(e=1;4>=e;++e)f=fF(h,j);g=gF(hD(ho(f.substr(0,3)),10)).b;c=gF(hD(ho(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)MF(this),f=fF(h,j),this.K[e]=(new qH(nH(ho(f.substr(0,10))))).b,this.N[e]=-(new qH(nH(ho(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=ho(f.substr(31,d-31)),AF(this,e,d),62<=f.length&&(f=ho(f.substr(60,3)),0<f.length&&(f=gF(hD(f,10)).b,0<f&&(this.E=e,a.z=f,KF(this),this.E=0)));for(e=1;e<=c;++e)TF(this),
|
|
482
|
+
f=fF(h,j),this.I[e]=gF(hD(ho(f.substr(0,3)),10)).b,this.J[e]=gF(hD(ho(f.substr(3,3)),10)).b,g=gF(hD(ho(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=gF(hD(ho(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);mI(this);XF(this);yE(this);for(wF(this);(h.k=wD(h,h.b),h.k<h.j)&&!(null==(f=zD(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new BD(f);zD(g);zD(g);j=gF(hD(zD(g),10)).b;
|
|
483
|
+
for(e=1;e<=j;++e)c=gF(hD(zD(g),10)).b,this.B[c]=gF(hD(zD(g),10)).b}if(0==f.indexOf("M APO")){g=new BD(f);zD(g);zD(g);j=gF(hD(zD(g),10)).b;for(e=1;e<=j;++e)c=gF(hD(zD(g),10)).b,f=gF(hD(zD(g),10)).b,this.E=c,W(this,0),AF(this,this.u,pc+f),this.E=0}}pI(this);wF(this)}}
|
|
484
|
+
function dG(a,b){var c,d,e,f,g;BE.call(this,a);0==b.indexOf(da)&&(b=b.substr(1,b.length-1));tH(b,da)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new BD(b);d=gF(hD(zD(f),10)).b;e=gF(hD(zD(f),10)).b;for(c=1;c<=d;++c)g=zD(f),MF(this),AF(this,this.u,g),this.K[c]=(new qH(nH(zD(f)))).b,this.N[c]=-(new qH(nH(zD(f)))).b;for(c=1;c<=e;++c)if(TF(this),this.I[c]=gF(hD(zD(f),10)).b,this.J[c]=gF(hD(zD(f),10)).b,this.t[c]=gF(hD(zD(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
|
|
485
|
+
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;mI(this);XF(this);yE(this)}catch(j){j=Ui(j);if(A(j,124)){j.Ec();this.u=0;return}throw j;}pI(this);wF(this)}}
|
|
486
|
+
function kF(a,b,c){var d,e,f;BE.call(this,a);f=y(M,s,-1,b.u+1,1);for(a=1;a<=b.u;++a)b.b[a]==c&&(MF(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))TF(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=
|
|
487
|
+
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;wF(this);yE(this)}
|
|
488
|
+
function DF(a,b,c){var d,e,f,g,j;BE.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(M,s,-1,this.u+1,1);this.B=y(M,s,-1,this.u+1,1);this.y=y(M,s,-1,this.u+1,1);this.e=y(M,s,-1,this.u+1,1);this.d=y(Gt,m,1,this.u+1,0);this.K=y(wE,m,-1,this.u+1,1);this.N=y(wE,m,-1,this.u+1,1);this.p=y(Gt,m,1,this.u+1,0);this.I=y(M,s,-1,this.v+1,1);this.J=y(M,s,-1,this.v+1,1);this.t=y(M,s,-1,this.v+1,1);this.f=y(Gt,m,1,this.v+1,0);this.C=y(M,s,-1,this.v+1,1);this.r=ht([this.z+1,2]);
|
|
489
|
+
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}wF(this);yE(this)}
|
|
490
|
+
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491
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492
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493
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494
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495
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496
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498
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function wI(a,b){yz(b)==a.b?P(b,(dB(),mB)):P(b,a.b)}
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499
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500
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501
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function UI(a){VI(a);WI(a);var b=OI.hc.b;iy(b,0);b.pb.options[0].selected=!0;b=PI.hc.b;iy(b,0);b.pb.options[0].selected=!0;P(FI,a.b);P(GI,a.b);P(MI,a.b);P(NI,a.b);P(OI,a.b);P(PI,a.b);XI(a)}function VI(a){P(HI,a.b);P(II,a.b);P(JI,a.b);P(KI,a.b);P(LI,a.b);P(BI,a.b);P(CI,a.b);P(DI,a.b);P(EI,a.b)}function WI(a){P(yI,a.b);P(zI,a.b);P(AI,a.b)}function XI(a){P(QI,a.b);P(RI,a.b);P(SI,a.b);P(TI,a.b);a.c=!1}
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502
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function rF(a){OB.call(this,"Atom/Bond Query");this.j=new YA(this.Of());xA(this.r,new ZH(this));this.b=(WD(),YD);this.d=a;this.e||(a=Az(a),this.e=new iC(a),WH(this.e,-150,10));this.k=this.e;gA(this,new XB);P(this,this.b);a=new kA;gA(a,new CB(0,3,1));R(a,new aC("Atom type :"),null);yI=new YA(wb);zI=new YA("Any except C");AI=new YA("Halogen");R(a,yI,null);R(a,zI,null);R(a,AI,null);R(this,a,null);a=new kA;gA(a,new CB(0,3,1));R(a,new bC("Or select one or more from the list :",0),null);R(this,a,null);
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503
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a=new kA;gA(a,new CB(0,3,1));HI=new YA(Cb);II=new YA(fc);JI=new YA(mc);KI=new YA(Cc);LI=new YA(oc);BI=new YA(Qb);CI=new YA(Gb);DI=new YA(Bb);EI=new YA(Xb);R(a,HI,null);R(a,II,null);R(a,JI,null);R(a,KI,null);R(a,LI,null);R(a,BI,null);R(a,CI,null);R(a,DI,null);R(a,EI,null);R(this,a,null);a=new kA;gA(a,new CB(0,3,1));OI=new bB;aB(OI,wb);aB(OI,ab);aB(OI,cb);aB(OI,hb);aB(OI,jb);R(a,new aC("Number of hydrogens : "),null);R(a,OI,null);R(this,a,null);a=new kA;gA(a,new CB(0,3,1));PI=new bB;aB(PI,wb);aB(PI,
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504
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ab);aB(PI,cb);aB(PI,hb);aB(PI,jb);aB(PI,"4");aB(PI,"5");aB(PI,"6");R(a,new bC("Number of connections :",0),null);R(a,PI,null);R(a,new bC(" (H's don't count.)",0),null);R(this,a,null);a=new kA;gA(a,new CB(0,3,1));R(a,new aC("Atom is :"),null);FI=new YA(xb);R(a,FI,null);GI=new YA("Nonaromatic");R(a,GI,null);MI=new YA(Bc);R(a,MI,null);NI=new YA(jc);R(a,NI,null);R(this,a,null);a=new kA;P(a,tB(yz(this)));gA(a,new CB(0,3,1));R(a,new aC("Bond is :"),null);QI=new YA(wb);R(a,QI,null);RI=new YA(xb);R(a,RI,
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505
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null);SI=new YA(Bc);R(a,SI,null);TI=new YA(jc);R(a,TI,null);R(this,a,null);a=new kA;gA(a,new CB(1,3,1));this.f=new CC(wa,20);R(a,this.f,null);R(a,new YA(zc),null);R(a,this.j,null);R(this,a,null);this.hc&&QB(this.hc.d,!1);NB(this,!1);VI(this);WI(this);XI(this);P(FI,this.b);P(GI,this.b);P(MI,this.b);P(NI,this.b);P(OI,this.b);P(PI,this.b);wI(this,yI);MB(this);a=this.k;XH(this.hc.d,a.b,a.c);!zz(this)&&dA(this);Oz(this)}u(561,552,si,rF);
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506
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_.Pf=function(a,b){var c;H(b,zc)?(UI(this),wI(this,yI),xI(this)):A(a.i,87)?(XI(this),Ct(a.i)===Ct(yI)?(VI(this),WI(this)):Ct(a.i)===Ct(zI)?(VI(this),WI(this)):Ct(a.i)===Ct(AI)?(VI(this),WI(this)):Ct(a.i)===Ct(MI)?P(NI,this.b):Ct(a.i)===Ct(NI)?(P(MI,this.b),P(FI,this.b)):Ct(a.i)===Ct(FI)?(P(GI,this.b),P(NI,this.b)):Ct(a.i)===Ct(GI)?P(FI,this.b):Ct(a.i)===Ct(QI)||Ct(a.i)===Ct(RI)||Ct(a.i)===Ct(SI)||Ct(a.i)===Ct(TI)?(UI(this),this.c=!0):WI(this),wI(this,a.i),xI(this)):A(a.i,88)&&(XI(this),c=a.i,0==c.hc.b.pb.selectedIndex?
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507
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P(c,this.b):P(c,(dB(),mB)),xI(this));107!=this.d.d&&(this.d.d=107,pA(this.d));return!0};_.c=!1;_.d=null;_.e=null;var yI=_.f=null,QI=null,zI=null,FI=null,RI=null,DI=null,HI=null,PI=null,OI=null,CI=null,BI=null,AI=null,EI=null,II=null,GI=null,NI=null,TI=null,JI=null,LI=null,MI=null,SI=null,KI=null;function lG(){LH(this)}u(562,537,Sh,lG);_.Qe=function(){this.b=-1;this.c=y(MH,m,0,0,0);this.d=0};_.b=-1;
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508
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+
function Fr(a){a=new PC(a);Hr();var b,c,d,e,f;try{var g=(HC(),KC);if(LC(g,(HC(),KC)))b=a.b;else if(LC(g,IC))b=new TC(a.b);else throw new QC(g);c=Ln(b)?b.tS():b.toString?b.toString():"[JavaScriptObject]";d=new YI;Yy(d.f,c);e=(f=uH(c,"\r\n|\r|\n|\n\r"),f.length);Tv(d.f,20*(10>e?e:10)+cg);$n((Xn(),Yn),new ZI(d));$I(d);aJ(d)}catch(j){if(j=Ui(j),A(j,105))vn(j);else throw j;}}function mG(){}u(563,1,{106:1,113:1},mG);_.xe=function(a){PD(this.b,a.b)};_.b=null;function yG(){this.pb=px()}u(565,327,fi,yG);
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509
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function Cr(){var a;Cr=x;bJ=(a=!1,Sf in $wnd?a=!0:$wnd.navigator.msPointerEnabled&&-1!==navigator.userAgent.toLowerCase().indexOf("touch")&&(a=!0),a);cJ=-1!=$wnd.navigator.userAgent.indexOf("Windows NT");dJ=bJ&!cJ;var b;a=K(M,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]);Dr=y(M,s,-1,1E3,1);for(b=0;b<Dr.length;++b)Dr[b]=-999;for(b=0;b<a.length;b+=2)Dr[a[b+1]]=a[b]}
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510
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+
function wq(a,b,c){a=new eJ(b,c,a);if(!b.Pd(a,c))for(b=b.gc;b&&!b.Pd(a,c);)b=b.gc}function nA(a,b,c){var d;d=new fJ;vj(d.u,b,c);oj(a.i,d.u,0,0);cj(a.b,d);return d}function vG(a,b){return!a.f?null:b in a.f?a.f[b]:null}function QE(a,b,c,d){b=b.b;if(b.s!=c||b.t!=d)Aw(a.i,b.u,c,d),b.s=c,b.t=d;gJ(b)}
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511
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function uG(a,b,c,d){Cr();this.pb=px();this.b=new ij;this.k=new ij;this.f=d;this.pb.style[Xf]=ab;this.pb.style[Vf]=ab;this.pb.style[Ng]=Ze;this.pb.style[hh]=b;this.pb.style[Ie]=c;this.i=new hJ;this.i.pb.style[hh]=db;Tv(this.i,db);dJ?(b=new iJ,c=new jJ,oj(b,this.i,0,0),oj(b,c,0,0),Ew(this,b)):Ew(this,this.i);this.d=a;a.Vb=this;dJ?(this.n=new kJ(this),this.n.j=new lJ(this),this.n.k=new mJ(this),this.n.o=new nJ(this),this.n.n=new oJ(this),this.d&&(this.n.f=new pJ(this),this.n.i=new qJ(this),this.n.b=
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512
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new rJ(this))):B(this,new sJ(this),(Or(),Or(),Pr));B(this,this,(Bq(),Bq(),Cq));B(this,new tJ(this),(yj(),yj(),zj));B(this,new uJ(this),(Aj(),Aj(),Bj));B(this,new wJ(this),(zr(),zr(),Ar));(vq(),vq(),Sz).b=this}u(564,565,fi,uG);_.c=!1;_.d=null;_.e=null;_.f=null;_.i=null;_.j=!1;_.n=null;var dJ,cJ,bJ,Dr=null;function hJ(){Cw.call(this);this.pb[xd]=Ve}u(567,305,mi,hJ);function iJ(){hJ.call(this);this.pb.style[hh]=db;this.pb.style[Ie]=db}u(566,567,mi,iJ);function sJ(a){this.b=a}u(568,1,{},sJ);
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513
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514
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function jJ(){hJ.call(this);this.pb.style[hh]=db;this.pb.style[Ie]=db}u(572,567,mi,jJ);function GJ(a,b){var c;c=b.b;c.f=4;return EF(a.b.d,c,b.e,b.f)}function lJ(a){this.b=a}u(573,1,{},lJ);_.Qf=function(a){return GJ(this,a)};_.b=null;function ps(a,b){QF(a.b.d,b.b,b.e,b.f);return EF(a.b.d,b.b,b.e,b.f)}function mJ(a){this.b=a}u(574,1,{},mJ);_.Qf=function(a){return ps(this,a)};_.b=null;function nJ(a){this.b=a}u(575,1,{},nJ);_.Qf=function(a){return OF(this.b.d,a.b,a.e,a.f)};_.b=null;
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515
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function oJ(a){this.b=a}u(576,1,{},oJ);_.Qf=function(){return SF(this.b.d)};_.b=null;function qr(a,b){var c;c=N(UE(b.c));c=new SC(b,0,mg,c);lE(a.b.d,c);return!0}function pJ(a){this.b=a}u(577,1,{},pJ);_.Qf=function(a){return qr(this,a)};_.b=null;function rr(a,b){var c;c=N(UE(100*b.d));c=new SC(b,0,tg,c);lE(a.b.d,c);return!0}function qJ(a){this.b=a}u(578,1,{},qJ);_.Qf=function(a){return rr(this,a)};_.b=null;function vr(a,b){var c;c=new SC(b,0,le,mh);lE(a.b.d,c);return!0}function rJ(a){this.b=a}
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516
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u(579,1,{},rJ);_.Qf=function(a){return vr(this,a)};var HJ=_.b=null;function IJ(){IJ=x;HJ=new ou((Du(),new Cu("data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAQAAAAECAYAAACp8Z5+AAAAEklEQVR42mM4MzPtPzJmIF0AAOqfLKHtSuV7AAAAAElFTkSuQmCC")),4,4)}function JJ(){JJ=x;KJ={}}function LJ(a,b,c){var d;c&&(b.style[re]=c.c+cg,d=c.b,d!=Ob&&(b.style[qe]=d),0!=(c.d&1)&&(b.style[te]=od),0!=(c.d&2)&&(b.style[se]=Te));a.f.style[gh]=Mf}
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517
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518
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519
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579
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580
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96,b!=a&&LK(d,a-b,0),Oq(d,new Mq(b,d.p)),rk(d.z,333))):0!=(c&1)&&(b=this.j?(this.k.c<this.f?this.k.c:this.f)-this.k.f.gd():this.k.c-this.k.f.gd(),0!=b&&(a=d.q,Oq(d,new Mq(96<a+b?a+b:96,d.p)),rk(d.z,333)))};
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581
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582
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function xM(){var a;this.e=new yM(this);this.b=!1;this.c=new Hw;kx(this,this.c);a=this.pb.style;a[ld]="#000";a[ne]="alpha(opacity=50)";a.opacity="0.5";this.pb[xd]="gwt-GlassPanel"}u(671,325,Xh,xM);
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583
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584
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585
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function AM(){this.pb=px();var a;a=new ky(new CM(this));B(this,a,(oq(),oq(),pq));B(this,a,(kr(),kr(),lr))}u(674,327,fi,AM);_.wd=function(){Ij(new DM(this))};function CM(a){this.b=a}u(675,1,{},CM);_.b=null;function DM(a){this.b=a}u(676,1,$h,DM);_.xc=function(){this.b.pb.focus()};_.b=null;function EM(a){a.pb.style[hh]=kd;a.pb.style[Ie]=kd;if(a.kb){var a=a.ob,b;A(a,149)?a._f(null):(b=wM(a))&&b._f(a)}}u(678,308,{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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586
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function CL(){var a=(Uw(),Xw);Ow.call(this,!0,lf);this.U=a.b;this.b=new GM(this);this.b.e=!0;Ew(this,this.b);this.ab=!0;this.b.i=!0;if(-1==this.lb){var a=this.pb,b=1|(this.pb.__eventBits||0);sj();Mv(a,b)}else this.lb|=1;no(mo(this.pb))[xd]=Fe;this.pb.style[jh]="2147483647"}u(680,310,mi,CL);_.cd=function(a){dw(this,a);1==av(a.type)&&Jw(this,!1)};_.b=null;
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588
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function GM(a){this.c=a;this.d=new ij;this.j=new ij;a=(Cy(),By);new rz(a.e,a.c,a.d,a.f,a.b);var b;b=$doc.createElement(Hg);this.f=$doc.createElement(Kg);Xu(b,this.f);this.p=!0;a=px();b=(Yu(),Zu(b));a.appendChild(b);this.pb=a;El();this.pb.setAttribute("role",hm.b);-1==this.lb?(a=this.pb,b=2225|(this.pb.__eventBits||0),sj(),Mv(a,b)):this.lb|=2225;this.pb[xd]=Ee;a=Vv(this.pb)+"-vertical";Qi(this.ld(),a,!0);this.pb.style[Vf]=bb;this.pb.setAttribute("hideFocus",bh);B(this,new Ay(this),(oq(),oq(),pq))}
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589
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590
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function FM(a){var b=(Cx(),Nx),c=(Qx(),Rx),d;d=new wx;d.i[pd]=ab;d.i[sd]=0;d.i[td]=0;this.b=b;this.c=c;var b=d.e,c=this.b,e=this.c;ux(b.b);b.b.d.rows[0].cells[0][gd]=c.b;ux(b.b);b.b.d.rows[0].cells[0].style[dh]=e.b;ux(d);b=qx(d,0,0,!0);if(a){dk(a);c=d.j;if(c.b){var e=c.b.b,f=c.c,g=e;sx(g,f.d);At(f.c,g,a);c.b=c.b.c}else e=c.c.d,cj(c.c,a);a.pb[Wc]=e;Xu(b,a.pb);gw(a,d)}kx(this,d);Qi(this.pb,"mosaic-WidgetWrapper",!0)}u(682,325,Xh,FM);_.b=null;_.c=null;function $K(a){this.b=a}u(683,1,{},$K);
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591
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592
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function lL(a){this.b=a}u(689,1,{},lL);_.b=null;function mL(a){this.b=a}u(690,1,$h,mL);_.xc=function(){this.b.O==(Jq(),Kq)?rk(this.b.A,333):this.b.O==QK&&rk(this.b.B,333)};_.b=null;function NK(a){this.pb=a;bw(this)}u(691,308,{16:1,19:1,35:1,36:1,37:1,38:1,39:1,40:1,46:1,48:1,57:1,69:1,72:1,80:1,82:1},NK);_.Qc=function(a){return B(this,a,(Or(),Or(),Pr))};_.Rc=function(a){return B(this,a,(yj(),yj(),zj))};_.Sc=function(a){return B(this,a,(Sr(),Sr(),Tr))};_.Tc=function(a){return B(this,a,(Aj(),Aj(),Bj))};
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593
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function HM(){Os.call(this,null)}u(692,240,Th,HM);function Jq(){Jq=x;Kq=new IM("MAXIMIZED",0);QK=new IM("MINIMIZED",1);RK=new IM("NORMAL",2);JM=K(KM,m,144,[Kq,QK,RK])}function IM(a,b){I.call(this,a,b)}u(693,140,{117:1,121:1,123:1,144:1},IM);var JM,Kq,QK,RK;function Mu(a){var b,c,d,e;c=wj();b=xj();e=(Nv(),Ov).scrollWidth;d=Ov.scrollHeight;c=c>e?c:e;b=b>d?b:d;0<=c-1&&(a.pb.style[hh]=c-1+cg);0<=b-1&&(a.pb.style[Ie]=b-1+cg)}
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594
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function LM(a,b){var c,d,e;if(a.n)return!0;a.y.Qe();for(c=new iw(b);c.b.b<c.b.c.d-1;)d=zK(jw(c.b)),e=d.ob,A(e,150)&&e.pd(d.md()),d.md()&&cj(a.y,d);return!0}
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595
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function MM(a,b){var c,d,e;if(b.b)a.d&&kk(a.d),a.d=new NM(a,b),mk(a.d,333);else for(d=new Oi(a.y);d.c<d.e.Fe();)c=Pi(d),e=c.nb,Aw(b,OM(c),e.t,e.u),PM(c,e.v,e.s,K(M,s,-1,[QM(a.r.b,c).e,QM(a.q.b,c).d,QM(a.o.b,c).b,QM(a.p.b,c).c]),K(M,s,-1,[RM(a.j.b,c).e,RM(a.i.b,c).d,RM(a.e.b,c).b,RM(a.f.b,c).c]),K(M,s,-1,[SM(a.v,c),SM(a.u,c),SM(a.s,c),SM(a.t,c)]))}
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596
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function TM(){this.y=new ij;this.k=new UM(this);this.x=new VM(this.k);this.w=new WM(this.k);this.r=new XM(this.k);this.q=new YM(this.k);this.o=new ZM(this.k);this.p=new $M(this.k);this.j=new aN(this.k);this.i=new bN(this.k);this.e=new cN(this.k);this.f=new dN(this.k);this.v=new eN(this.k);this.u=new eN(this.k);this.s=new eN(this.k);this.t=new eN(this.k)}u(696,1,{});_.fg=function(a){MM(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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_.t=null;_.u=null;_.v=null;_.w=null;_.x=null;function fN(a){var b;b=a.b;var c=a.c,d,e,f;for(e=new Oi(b.y);e.c<e.e.Fe();)d=Pi(e),A(d,62)&&(d=d.jb),f=d.nb,Aw(c,OM(d),f.t,f.u),PM(d,f.v,f.s,K(M,s,-1,[QM(b.r.b,d).e,QM(b.q.b,d).d,QM(b.o.b,d).b,QM(b.p.b,d).c]),K(M,s,-1,[RM(b.j.b,d).e,RM(b.i.b,d).d,RM(b.e.b,d).b,RM(b.f.b,d).c]),K(M,s,-1,[SM(b.v,d),SM(b.u,d),SM(b.s,d),SM(b.t,d)]));gN(c);a.b.d=null;for(a=new Oi(a.b.y);a.c<a.e.Fe();)b=Pi(a),A(b,62)&&(b=b.jb),b=b.nb,b.p=b.q=b.r=b.o=-1}
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598
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function NM(a,b){this.b=a;this.c=b;var c=(tk(),uk);this.n=new sk(this);this.t=c}u(697,17,{},NM);_.yc=function(){fN(this)};_.zc=function(){fN(this)};
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599
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_.Bc=function(a){var b,c,d;for(c=new Oi(this.b.y);c.c<c.e.Fe();)b=Pi(c),A(b,62)&&(b=b.jb),d=b.nb,d.j=Dt(d.p+(d.t-d.p)*a),d.w=Dt(d.q+(d.u-d.q)*a),d.x=Dt(d.r+(d.v-d.r)*a),d.i=Dt(d.o+(d.s-d.o)*a),Aw(this.c,OM(b),d.j,d.w),PM(b,d.x,d.i,K(M,s,-1,[QM(this.b.r.b,b).e,QM(this.b.q.b,b).d,QM(this.b.o.b,b).b,QM(this.b.p.b,b).c]),K(M,s,-1,[RM(this.b.j.b,b).e,RM(this.b.i.b,b).d,RM(this.b.e.b,b).b,RM(this.b.f.b,b).c]),K(M,s,-1,[SM(this.b.v,b),SM(this.b.u,b),SM(this.b.s,b),SM(this.b.t,b)]))};_.b=null;_.c=null;
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601
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function SM(a,b){var c=a.b,d;d=lj(c.e,b);d||(d=new NL(IL(b.pb)),z(c.e,b,d));return d.e}function eN(a){this.b=a}u(709,699,{},eN);function WM(a){this.b=a}u(710,699,{},WM);function VM(a){this.b=a}u(711,699,{},VM);function RM(a,b){var c;c=lj(a.b,b);c||(c=new NL(OK(b.pb)),z(a.b,b,c));return c}function QM(a,b){var c;c=lj(a.c,b);c||(c=new NL(HL(b.pb)),z(a.c,b,c));return c}
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602
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function hN(a,b){var c,d;d=lj(a.f,b);if(!d){c=b.nb;a:{d=a.i;var e=wM(b),f,g,j,h,n;if(A(b,149)){if(null!=c.n&&null!=c.k){d=new Mq(iN(e,!0),iN(e,!1));break a}h=b.$f();null!=c.n&&(h.c=iN(e,!0));null!=c.k&&(h.b=iN(e,!1))}else{if(null!=c.n&&null!=c.k){d=new Mq(iN(e,!0),iN(e,!1));break a}h=new LL;f=b.pb;n=f.style;g=n[$f];j=n[eh];n[$f]="static";n[eh]=Je;null!=c.n?h.c=iN(e,!0):(n[hh]=kd,h.c=(f.offsetWidth||0)+QM(d.p.b,b).c+QM(d.q.b,b).d);null!=c.k?h.b=iN(e,!1):(n[Ie]=kd,h.b=(f.offsetHeight||0)+QM(d.r.b,b).e+
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603
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QM(d.o.b,b).b);n[$f]=g;n[eh]=j}d=h}null!=c.n&&(Cj(),Np)==c.n.hg()||null!=c.k&&(Cj(),Np)!=c.k.hg()||z(a.f,b,d)}return d}function UM(a){this.i=a;this.d=new Mi;this.f=new Mi;this.c=new Mi;this.b=new Mi;this.e=new Mi}u(712,1,{},UM);_.b=null;_.c=null;_.d=null;_.e=null;_.f=null;_.i=null;function jN(a){var b;b=a.nb;if(null==b||!A(b,147))b=new kN,a.nb=b;return b}function YL(){aM.call(this,(bM(),lN))}function aM(a){var b=(mN(),nN);TM.call(this);this.c=a;this.b=b}u(713,696,{},YL,aM);
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604
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_.gg=function(a){var b,c,d,e,f,g,j,h,n;h=new LL;LM(this,a);n=QM(this.p.b,a).c+QM(this.q.b,a).d+RM(this.f.b,a).c+RM(this.i.b,a).d+SM(this.t,a)+SM(this.u,a);d=QM(this.r.b,a).e+QM(this.o.b,a).b+RM(this.j.b,a).e+RM(this.e.b,a).b+SM(this.v,a)+SM(this.s,a);c=this.y.d;if(0==c)return h.c=n,h.b=d,h;a=a.p;this.c==(bM(),lN)?n+=(c-1)*a:d+=(c-1)*a;f=g=0;for(a=new Oi(this.y);a.c<a.e.Fe();)c=Pi(a),e=jN(c),b=null,j=c.ob,A(j,150)&&(b=j,b=oN(b),b=new Mq(b[1]+b[3],b[0]+b[0])),this.c==lN?(n+=hN(this.x.b,c).c,e.b=hN(this.w.b,
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605
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c).b,A(j,150)&&(n+=b.c,e.b+=b.b),f=Nj(f,e.b)):(d+=hN(this.w.b,c).b,e.c=hN(this.x.b,c).c,A(j,150)&&(d+=b.b,e.c+=b.c),g=Nj(g,e.c));this.c==lN?(h.c=n,h.b=d+f):(h.c=n+g,h.b=d);return h};
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606
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_.fg=function(a){var b,c,d,e,f,g,j,h,n,o,r,q,t,v,D,E,J,Q;if(LM(this,a)&&(d=this.y.d,0!=d)){D=a.p;t=SM(this.t,a);E=SM(this.v,a);c=Lq(a.pb);Q=c.c-(t+SM(this.u,a));r=c.b-(E+SM(this.s,a));g=Q;c=r;this.c==(bM(),lN)?g-=(d-1)*D:c-=(d-1)*D;j=h=0;for(e=new Oi(this.y);e.c<e.e.Fe();)d=Pi(e),b=null,q=jN(d),v=d.ob,A(v,150)&&(b=v,b=oN(b),b=new Mq(b[1]+b[3],b[0]+b[0])),this.c==lN?(q.e?++h:(q.c=hN(this.x.b,d).c,A(v,150)&&(q.c+=b.c),g-=q.c),q.d?q.b=r:(q.b=hN(this.w.b,d).b,A(v,150)&&(q.b+=b.b))):(q.d?++j:(q.b=hN(this.w.b,
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607
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619
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624
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636
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637
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639
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642
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