diff options
| author | gebele <gebele@in-silico.ch> | 2014-10-08 10:56:41 +0200 |
|---|---|---|
| committer | gebele <gebele@in-silico.ch> | 2014-10-08 10:56:41 +0200 |
| commit | 65e95824737b033ad16046626fe7dbdb7ae43756 (patch) | |
| tree | 309c81a3e60067b149ea1b101d93433aa6467627 | |
| parent | ccf3ef5b6c74d9f9b729a49c745328a24aaa28e5 (diff) | |
dropped compass gem, switch to scss;clean-up files/code
72 files changed, 233 insertions, 17940 deletions
@@ -1,5 +1,4 @@ source "https://rubygems.org" -gem "compass" gem "sinatra" gem "haml" gem "sass" @@ -1,4 +0,0 @@ -- color image in details view -- catch tablesorter error if tbody is empty -- add info hovers -- add wait snake for java plugin diff --git a/application.rb b/application.rb index 356c8f8..0185518 100644 --- a/application.rb +++ b/application.rb @@ -1,9 +1,3 @@ -require 'rubygems' -require 'compass' #must be loaded before sinatra -require 'sinatra' -require 'haml' #must be loaded after sinatra -require 'opentox-client' -require 'opentox-server' require_relative 'helper.rb' require File.join(ENV["HOME"],".opentox","config","lazar-gui.rb") # until added to ot-tools @@ -234,8 +228,8 @@ post '/predict/?' do end end -get '/predict/stylesheets/:name.css' do - content_type 'text/css', :charset => 'utf-8' - sass(:"stylesheets/#{params[:name]}", Compass.sass_engine_options ) +get '/style.css' do + headers 'Content-Type' => 'text/css; charset=utf-8' + scss :style end diff --git a/lazar-gui.gemspec b/lazar-gui.gemspec index 55e2705..dbc4cec 100644 --- a/lazar-gui.gemspec +++ b/lazar-gui.gemspec @@ -23,9 +23,9 @@ Gem::Specification.new do |s| s.add_runtime_dependency "opentox-feature" s.add_runtime_dependency "opentox-model" s.add_runtime_dependency "opentox-task" - s.add_runtime_dependency "compass" s.add_runtime_dependency "sinatra" s.add_runtime_dependency "haml" s.add_runtime_dependency "sass" + s.add_runtime_dependency "unicorn" s.post_install_message = "Please configure your service in ~/.opentox/config/lazar-gui.rb" end diff --git a/public/jsme_bak/05B63F17C4ECC632F0004998FE93F0D9.cache.png b/public/jsme_bak/05B63F17C4ECC632F0004998FE93F0D9.cache.png Binary files differdeleted file mode 100644 index 6b2789b..0000000 --- a/public/jsme_bak/05B63F17C4ECC632F0004998FE93F0D9.cache.png +++ /dev/null diff --git a/public/jsme_bak/0C406D7CF33A12D63C52DE66D498F1CD.cache.html b/public/jsme_bak/0C406D7CF33A12D63C52DE66D498F1CD.cache.html deleted file mode 100644 index b40e6aa..0000000 --- a/public/jsme_bak/0C406D7CF33A12D63C52DE66D498F1CD.cache.html +++ /dev/null @@ -1,613 +0,0 @@ -<html><head><meta charset="UTF-8" /><script>var $gwt_version = "2.5.0";var $wnd = parent;var $doc = $wnd.document;var $moduleName, $moduleBase;var $strongName = '0C406D7CF33A12D63C52DE66D498F1CD';var $stats = $wnd.__gwtStatsEvent ? function(a) {return $wnd.__gwtStatsEvent(a);} : null,$sessionId = $wnd.__gwtStatsSessionId ? $wnd.__gwtStatsSessionId : null;$stats && $stats({moduleName:'jsme',sessionId:$sessionId,subSystem:'startup',evtGroup:'moduleStartup',millis:(new Date()).getTime(),type:'moduleEvalStart'});</script></head><body><script><!-- -var j="",aa="\n",da="\n \n",ea=" ",ga=" \t\n\r\u000c",ha=" ",ia=" ",ja=" 0",ka=" 0 0\n",ma=" 0 0 0\n",na=" 0 0 0 0 0 0 0",oa=" 0 0 0 0 0 0 0 0999 V2000\n",pa=" (H's don't count.)",qa=" *",ra=" 0",sa=" Molecular Editor by Peter Ertl and Bruno Bienfait",ta=" Molecular Editor v2013-05-01",ua=" border='0'></gwt:clipper>",va=" exceptions caught: ",xa=' filled="false" strokecolor="',za=' filled="true" stroked="false" fillcolor="',Aa=" height=",Ba=" is not supported",Ca=" must be non-negative: ", -Da=" not found.",Ea=" of ",Fa=" out of range",Ga=' strokeweight="',Ha=" sun.boot.class.path",Ia="!",Ja="!#6",La="!@",Na='"',Oa='" ',Pa='" endangle="',Qa='" strokecolor="',Ra='" style="top:',Sa='" to="',Ta='" width=',Ua="\"><img onload='this.__gwtLastUnhandledEvent=\"load\";' src='",Va="#",Wa="#000",Xa="#15,",Ya="#16,",Za="#6,",$a="#7,",ab="#8,",bb="$",db="$MOL",eb="$MOL\n",fb="$RXN",hb="$RXN\n\n\nJME Molecular Editor\n",jb="%",kb="&",lb="'",mb="&",nb=">",ob="<",pb=" ",qb=""", -rb="'",sb="' border='0'>",tb="' onerror='if(window.__gwt_transparentImgHandler)window.__gwt_transparentImgHandler(this);else this.src=\"",ub="' style='",wb="',sizingMethod='crop'); margin-left: ",xb="(",yb="(No exception detail)",zb="(this Collection)",Ab=")",Bb=") no-repeat ",Db="). 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113:Y(b,PL);c=a.X-8;e=g+~~((a.X-c)/2);d=f+~~((a.X-c)/2);qM(b,e,d,c,c);Y(b,JL);BQ(a,b,g, -f,EL,jo);break;case 201:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2)+2);Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2)-2);Z(b,g+a.X-c,f+~~(a.X/2)+2,g+a.X-c,f+~~(a.X/2)-2);break;case 202:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));break;case 203:Z(b,g+c,f+~~(a.X/2)-2,g+a.X-c,f+~~(a.X/2)-2);Z(b,g+c,f+~~(a.X/2)+2,g+a.X-c,f+~~(a.X/2)+2);break;case 204:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));Z(b,g+c,f+~~(a.X/2)-3,g+a.X-c,f+~~(a.X/2)-3);Z(b,g+c,f+~~(a.X/2)+3,g+a.X-c,f+~~(a.X/2)+3);break;case 205:Z(b,g+~~(c/2),f+2*c+ -~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Z(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Z(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:CQ(a,b,g,f+2,3);break;case 207:CQ(a,b,g,f,4);break;case 208:CQ(a,b,g,f,5);break;case 209:CQ(a,b,g,f,1);break;case 210:CQ(a,b,g,f,6);break;case 211:CQ(a,b,g,f,7);break;case 212:CQ(a,b,g,f,8);break;case 213:AQ(a,b,g,f,Uf),a.E=new FM(g,f)}else c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e?c=12: -1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=rO[c]&&BQ(a,b,g,f,qO[c],rO[c])}function DQ(a){var b,c,d;a.ib&&(null==a.I&&(a.I=j),d=a.H.a,c=a.B.b-a.X,b=a.X,Y(d,yO),qM(d,0,0,c,b),a.mb?(Y(d,(DL(),IL)),uQ(d,-1,0,c,b-1)):(Y(d,$P),Z(d,0,0,c-1-2,0),Y(d,RL(yO)),Z(d,0,b-1,c-1,b-1),Z(d,c-1,0,c-1,b-1)),EQ(d,a.W),Y(d,(DL(),JL)),-1!=a.I.toLowerCase().indexOf(en)&&Y(d,KL),FQ(d,a.I,10,15),GQ(a.Nb,a.H,a.X,a.B.a-a.X))} -function HQ(a){var b,c,d,e;if(a.jb){d=a.P.a;c=a.X;b=a.B.a-2*a.X-a.R;Y(d,yO);qM(d,0,0,c,b);a.mb?(Y(d,(DL(),IL)),Z(d,0,b-1,c,b-1),e=lO*(a.X+a.R)+2,Z(d,0,e,c,e),Z(d,0,e,0,b),Z(d,a.X-1,e,a.X-1,b-a.X)):(Y(d,$P),Z(d,0,0,0,b-1),Z(d,0,lO*a.X,b-1,lO*a.X),Y(d,RL(yO)),Z(d,c-1,0,c-1,b-1-a.X),Z(d,0,b-1,c-1,b-1));for(b=3;b<=lO+2;++b)tQ(a,d,1,b);GQ(a.Nb,a.P,0,2*a.X+a.R)}} -function IQ(a){var b,c,d,e;if(a.kb){e=a.bb.a;c=a.B.b-a.X;b=a.B.a-3*a.X-a.R;Y(e,a.s);qM(e,0,0,c,b);d=a.cb?(NM(),QM):(NM(),SM);if((NM(),OM)==(NM(),OM))d==QM?e.a=Gd:e.a=Fd;d=new bL(a.db);(e.n=d)&&d&&(e.b=Ga+d.e+ir);for(d=1;d<=a.sb;++d){var f=a.eb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,r=void 0,w=void 0,G=w=o=m=void 0,B=n=void 0,M=m=r=o=i=void 0,N=m=i=void 0,V=h=o=h=void 0,ba=w=B=void 0,L=ba=r=n=l=B=m=r=G=M=n=void 0,L=h=n=o=o=M=L=V=i=N=N=G=V=n=n=N=V=void 0,w=B=1,l=2,ba=3;f.v&& -(qQ(f),nQ(f.k,1,f.k.sb,0),f.v=!1);1!=f.k.A&&(l*=f.k.A,ba*=f.k.A,i=1,0.7>f.k.A&&(i=1.2),i=E(13*f.k.A*i),f.k.j=new dM(ig,0,i),f.k.k=new UM((wB(),f.k.j)));f.k.z&&(Y(g,(DL(),JL)),uQ(g,0,0,f.k.B.b-1,f.k.B.a-1));if(0!=f.s){if(-1==f.j){m=K(J(Math.round(12*l)));for(i=1;i<=f.s;++i)0<f.d[i]&&7>f.d[i]&&(Y(g,(YP(),bQ)[f.d[i]]),h=g,o=E(f.I[i]-m/2),N=E(f.L[i]-m/2),V=L=m,vQ(h,!0),wQ(h,xQ(h,o,N,L,V)));for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],0!=f.d[h]&&f.d[h]==f.d[m]&&(Y(g,(YP(),bQ)[f.d[h]]),n=f.I[m]-f.I[h],B=f.L[m]- -f.L[h],w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w,r=3*ba*B,n=3*ba*w,N=v(I,q,-1,4,1),o=v(I,q,-1,4,1),N[0]=E(f.I[h]+r),o[0]=E(f.L[h]-n),N[1]=E(f.I[m]+r),o[1]=E(f.L[m]-n),N[2]=E(f.I[m]-r),o[2]=E(f.L[m]+n),N[3]=E(f.I[h]-r),o[3]=E(f.L[h]+n),m=g,h=N,vQ(m,!0),wQ(m,JQ(m,h,o,4,!0)))}for(i=1;i<=f.t;++i){Y(g,(DL(),JL));h=f.G[i];m=f.H[i];1==f.j&&0!=f.d[h]&&f.d[h]==f.d[m]&&Y(g,(YP(),bQ)[f.d[h]]);if(3==f.A[i]||4==f.A[i])o=h,h=m,m=o;V=f.I[h];L=f.L[h];N=f.I[m];o=f.L[m];if(1!=f.r[i]||0!=f.A[i])n=N-V,B=o-L,w=Math.sqrt(n* -n+B*B),1>w&&(w=1),B/=w,w=n/w;switch(f.r[i]){case 2:10<=f.A[i]&&Y(g,NL);r=l*B;n=l*w;Z(g,K(J(Math.round(V+r))),K(J(Math.round(L-n))),K(J(Math.round(N+r))),K(J(Math.round(o-n))));Z(g,K(J(Math.round(V-r))),K(J(Math.round(L+n))),K(J(Math.round(N-r))),K(J(Math.round(o+n))));Y(g,JL);break;case 3:m=K(J(Math.round(V)));h=K(J(Math.round(L)));N=K(J(Math.round(N)));o=K(J(Math.round(o)));Z(g,m,h,N,o);V=K(J(Math.round(ba*B)));L=K(J(Math.round(ba*w)));Z(g,m+V,h-L,N+V,o-L);Z(g,m-V,h+L,N-V,o+L);break;case 9:case 0:for(h= -0;10>h;++h)G=V-(V-N)/10*h,M=L-(L-o)/10*h,Z(g,K(J(Math.round(G))),K(J(Math.round(M))),K(J(Math.round(G))),K(J(Math.round(M))));EQ(g,f.k.j);m=KQ(f.k.k);n=f.e[i];h=Vd;null!=n&&(h=n);n=VM(f.k.k,h);V=K(J(Math.round((V+N)/2-n/2)));n=K(J(Math.round((L+o)/2+~~(m/2)-1)));Y(g,NL);FQ(g,h,V,n);Y(g,JL);break;default:if(1==f.A[i]||3==f.A[i])r=ba*B,n=ba*w,M=v(I,q,-1,3,1),G=v(I,q,-1,3,1),M[0]=K(J(Math.round(N+r))),G[0]=K(J(Math.round(o-n))),M[1]=K(J(Math.round(V))),G[1]=K(J(Math.round(L))),M[2]=K(J(Math.round(N- -r))),G[2]=K(J(Math.round(o+n))),m=g,h=M,o=G,vQ(m,!0),wQ(m,JQ(m,h,o,3,!0));else if(2==f.A[i]||4==f.A[i]){r=ba*B;n=ba*w;for(h=0;10>h;++h)G=V-(V-N)/10*h,M=L-(L-o)/10*h,m=h/10,Z(g,K(J(Math.round(G+r*m))),K(J(Math.round(M-n*m))),K(J(Math.round(G-r*m))),K(J(Math.round(M+n*m))))}else Z(g,K(J(Math.round(V))),K(J(Math.round(L))),K(J(Math.round(N))),K(J(Math.round(o))))}}w=v(oQ,k,-1,f.s+1,1);B=v(I,q,-1,f.s+1,1);for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],l=f.I[h],o=f.I[m],++B[h],++B[m],w[h]=w[h]/B[h]+o/B[h],w[m]= -w[m]/B[m]+l/B[m];EQ(g,f.k.j);m=KQ(f.k.k);L=v(ZD,k,1,f.s+1,0);N=v(I,q,-1,f.s+1,1);o=v(I,q,-1,f.s+1,1);l=v(LQ,k,52,f.s+1,0);for(i=1;i<=f.s;++i)h=MQ(f,i),(null==h||1>h.length)&&(h=Ib),3==f.b[i]&&0<f.y[i]&&0==f.z[i]?(L[i]=h,N[i]=o[i]=VM(f.k.k,h),l[i]=NQ(f,i,N[i],N[i],m,!1)):(V=w[i]<f.I[i],G=!0,1<B[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/3&&(G=!1),2<B[i]&&(G=!1),1==B[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/10&&(V=!0),n=h,M=j,f.k.Eb&&0<f.w[i]&&(M+=bg,1<f.w[i]&&(M+=f.w[i])), -r=j,0!=f.z[i]&&(1<Wv(f.z[i])&&(r+=Wv(f.z[i])),0<f.z[i]?r+=Jb:r+=Tb),V||!G?h=h+M+r+j:h=r+M+j+h,G||(n=h),L[i]=h,n=VM(f.k.k,n),r=VM(f.k.k,h),N[i]=n,o[i]=r,r=l[i]=NQ(f,i,n,r,m,V),V=r.c+2+1,n=r.d+m+2,Y(g,f.k.s),-1==f.j&&0!=f.d[i]&&Y(g,(YP(),bQ)[f.d[i]]),qM(g,r.c,r.d,r.b,r.a),1==f.j?0!=f.d[i]?Y(g,(YP(),bQ)[f.d[i]]):Y(g,(DL(),JL)):Y(g,(YP(),qO)[f.b[i]]),FQ(g,h,V,n));for(h=1;h<=f.x;++h)i=f.p[h][0],n=N[i],r=o[i],V=K(J(kP(f.I[i]-n/2))),n=K(J(kP(f.L[i]+~~(m/2)-1))),Y(g,(DL(),NL)),FQ(g,ea+f.p[h][1],V+r,n);if(0< 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e,f,g;g=OD([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)bR(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c+=hb;c+=gR(g[1][0],3)+gR(g[3][0],3)+aa;for(b=1;b<=g[1][0];++b)c+=eb+hR(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=eb+hR(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new iR(a,a.eb,a.sb)),c=hR(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function jR(a,b,c,d){var e;e=c;var f=d,g,i;(g=kR(b),i=0!=(b.e&2),g||i)?(a.Ab?JM((!a.v&&(a.v=kO(a,!0)),a.v),a,e,f):JM((!a.u&&(a.u=kO(a,!1)),a.u),a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=lR(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){b=0;for(e=1;13>=e;++e)if(c<e*(a.X+a.R)){b=e;break}c=0;for(e=1;e<=lO+2;++e)if(d<e*(a.X+a.R)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Gb=!0,a.ib=!0,a.I=Bh,oO(a),!0;if(!a.xb&&107==d||!a.Ib&&201== 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if(106== -a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])tC(d.k,pi);else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;cR(d,c);d.a[c]=0}a.Y.D=0;mQ(a)}else if(201==a.b)qR(a.Y,a.Y.D),mQ(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),mQ(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,mQ(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,mQ(a);else if(206<=a.b&&229>=a.b)a.N=2,nR(a.Y),mQ(a);else if(107==a.b){if(!a.yb.b)return!0; -d=Pz(a.yb.e._b.a.gb,nt);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;mQ(a)}else 105==a.b?(a.ib=!0,a.I=Uh):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new 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e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function nR(a){var b,c,d,e,f,g,i,h,l,m,o,n,r;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])QR(a,i,f,h);else 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-e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;r=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(r=-r,m=0);n=a.I[b]+o*e-r*g;r=a.L[b]+r*e+o*g;for(d=1;d<=i;++d)rR(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=r+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)rR(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)wR(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&&(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f= -1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[NR(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f],1<a.r[NR(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2; -a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(I,q,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=K(J(kP((a.I[b]+a.I[e])/2))),a.M[c]=K(J(kP((a.L[b]+a.L[e])/2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]= -0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;wR(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=K(J(kP((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2)));a.M[a.t]=K(J(kP((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]? -(wR(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=K(J(kP((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=K(J(kP((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(wR(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=K(J(kP((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=K(J(kP((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0<h[f]&&(cR(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b]; -for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&PR(a,i);-1<l&&(a.C=l)}function QR(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)rR(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)} -function PR(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=tR(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)}function NR(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function RR(a,b,c){var d,e,f,g;e=It;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(AE(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)AE(c[d])&&!oE(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)uE(c[d],e)&&(b[d]=g,c[d]=It,++f);if(f==a.s)break}return g==a.s} -function qQ(a){var b,c,d;b=v(oQ,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{pQ(a,b);c=~~(c/2)-K(J(Math.round(b[0])));d=~~(d/2)-K(J(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;rQ(a)}} -function pQ(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function mR(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=SR(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&tC(a.k,We);0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?tC(a.k,Ye):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?tC(a.k,Te):3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break; -case 5:case 8:case 13:2<d?tC(a.k,Ue):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:tC(a.k,Ve);break;case 18:tC(a.k,$i)}} -function UQ(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(I,q,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(I,q,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&cR(a,c);qQ(a);tC(a.k,Ki);return 1} -function tR(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function xR(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];eR(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),eR(a));4==a.r[d]&&(a.r[d]=1)}} -function MR(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 IO(a){var b;TR(a);b=a.r.length;a.J=v(I,q,-1,b,1);a.M=v(I,q,-1,b,1);rQ(a);eR(a)} -function rR(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(I,q,-1,c,1),uP(a.b,b,a.b.length),a.b=b,b=v(I,q,-1,c,1),uP(a.z,b,a.z.length),a.z=b,b=v(I,q,-1,c,1),uP(a.w,b,a.w.length),a.w=b,b=v(I,q,-1,c,1),uP(a.d,b,a.d.length),a.d=b,b=v(ZD,k,1,c,0),uP(a.c,b,a.c.length),a.c=b,b=v(ZD,k,1,c,0),uP(a.n,b,a.n.length),a.n=b,b=v(oQ,k,-1,c,1),uP(a.I,b,a.I.length),a.I=b,b=v(oQ,k,-1,c,1),uP(a.L,b,a.L.length),a.L=b,b=OD([c,7]),uP(a.F,b,a.F.length),a.F=b,c=v(I,q,-1,c,1),uP(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function NQ(a,b,c,d,e,f){var g;g=K(J(kP(a.I[b]-c/2)));f||(g-=d-c);a=K(J(kP(a.L[b]-~~(e/2))));return new EK(g-1-2,a-2,d+1+4,e+4)} -function wR(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(I,q,-1,b,1),uP(a.G,c,a.G.length),a.G=c,c=v(I,q,-1,b,1),uP(a.H,c,a.H.length),a.H=c,c=v(I,q,-1,b,1),uP(a.r,c,a.r.length),a.r=c,c=v(I,q,-1,b,1),uP(a.A,c,a.A.length),a.A=c,c=v(I,q,-1,b,1),uP(a.J,c,a.J.length),a.J=c,c=v(I,q,-1,b,1),uP(a.M,c,a.M.length),a.M=c,b=v(ZD,k,1,b,0),uP(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function hR(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+uc);i+=(YP(),aa);i+=zg+new IP+da;i+=gR(a.s,3)+gR(a.t,3);i+=oa;g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=zR(0.055999999999999994*(a.I[e]-c),10,4)+zR(0.055999999999999994*(g-a.L[e]),10,4)+zR(0,10,4);h=MQ(a,e);1==h.length?h+=ha:2==h.length?h+=ea:3<h.length&&(h=gi);i+=ea+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&& -(d=4-a.z[e]);h=ra+gR(d,3)+na;f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=gR(f,3):h+=ja;i+=h+ka}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:UR(a,e)&&(g=2),c=gR(a.G[e],3)+gR(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=gR(a.H[e],3)+gR(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=gR(a.H[e],3)+gR(a.G[e],3)),i+=c+gR(g,3)+gR(d,3)+ma;for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+=Pg+gR(e,4)+gR(a.z[e],4)+aa);return i+=Rg} -function AR(a){var b,c,d,e,f,g,i,h,l,m,o,n,r,w,G,B,M,N,V,ba,L,gc,zc,Vf,vb,Ld,Md,Nd,gb,Ac;o=v(I,q,-1,a.s+10,1);n=v(I,q,-1,a.s+10,1);l=v(I,q,-1,a.s+1,1);m=v(I,q,-1,7,1);vb=v(I,q,-1,a.s+1,1);w=v(VR,k,-1,a.s+1,2);G=v(VR,k,-1,a.t+1,2);gc=0;if(0==a.s)return j;UQ(a,!0);Vf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Vf=!1;break}if(a.k.r&&Vf){WR(a);xR(a);XR(a,G);YR(a,w,G);var Cb,pd,Xe,Xb,re,qd,rd,cb,nH,Pd,t,wa,xm,ym,es,df,Ma,zm,Am,Dc,Bm;Cb=v(I,q,-1,a.s+1,1);pd=v(I,q,-1,a.s+1,1);cb=v(ZR,k,-1,a.s+1,3);var fs=a.s,Cm, -nh,gs,hg,vj,xe,ef;vj=v(ZR,k,-1,fs+2,3);xe=v(I,q,-1,100,1);ef=5;hg=0;xe[0]=3;vj[1]=Kt;vj[2]=Lt;gs=2;if(!(3>fs))for(;ef<xe[hg]*xe[hg];){nh=0;for(Cm=!0;Cm&&nh<=hg&&ef>=xe[nh]*xe[nh];)0==ef%xe[nh]?Cm=!1:++nh;if(Cm){vj[++gs]=xE(ef);if(gs>=fs)break;hg<xe.length-1&&(++hg,xe[hg]=ef)}ef+=2}for(t=1;t<=a.s;++t){for(wa=Am=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(Am*=a.f[wa]);zm=a.b[t];18==zm&&(Bm=a.n[t],qd=Bm.charCodeAt(0)-65+1,rd=0,1<Bm.length&&(rd=Bm.charCodeAt(1)-97),0>qd&&(qd=0),0>rd&&(rd=0),zm=28*qd+rd); -df=0;-2>a.z[t]?df=1:-2==a.z[t]?df=2:-1==a.z[t]?df=3:1==a.z[t]?df=4:2==a.z[t]?df=5:2<a.z[t]&&(df=6);Dc=1;cb[t]=xE(Am);Dc*=126;cb[t]=sE(cb[t],xE(a.w[t]*Dc));Dc*=7;cb[t]=sE(cb[t],xE(df*Dc));Dc*=7;cb[t]=sE(cb[t],xE(zm*Dc));Dc*=783;cb[t]=sE(cb[t],xE(a.y[t]*Dc))}for(re=0;!RR(a,Cb,cb);){es=!1;for(t=1;t<=a.s;++t)Cb[t]!=pd[t]&&(pd[t]=Cb[t],es=!0);if(es){for(t=1;t<=a.s;++t){cb[t]=Jt;for(wa=1;wa<=a.y[t];++wa)cb[t]=BE(cb[t],vj[Cb[a.F[t][wa]]])}re=0}else if(0<re){for(t=1;t<=a.s;++t)cb[t]=Jt;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Cb[t]==Cb[wa]){cb[t]=Kt;break a}}else{for(t=1;t<=a.s;++t){cb[t]=Jt;for(wa=1;wa<=a.y[t];++wa)Xe=a.F[t][wa],cb[t]=BE(cb[t],xE(a.b[Xe]*a.f[NR(a,t,Xe)]))}re=1}RR(a,Cb,cb);for(t=1;t<=a.s;++t)cb[t]=xE(pd[t]*a.s+Cb[t])}for(t=1;t<=a.s;++t)pd[t]=Cb[t];for(Ma=1;Ma<=a.s;++Ma)for(t=1;t<=a.s;++t)if(pd[t]==Ma){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[Ma];a.z[t]=a.z[Ma];a.I[t]=a.I[Ma];a.L[t]=a.L[Ma];a.y[t]=a.y[Ma];a.b[Ma]=a.b[0];a.z[Ma]=a.z[0]; -a.I[Ma]=a.I[0];a.L[Ma]=a.L[0];a.y[Ma]=a.y[0];pd[t]=pd[Ma];pd[Ma]=Ma;a.n[0]=a.n[t];a.n[t]=a.n[Ma];a.n[Ma]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[Ma];a.c[Ma]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[Ma];a.w[Ma]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Cb[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Cb[a.G[t]],a.H[t]=Cb[a.H[t]],a.G[t]>a.H[t]&&(Pd=a.G[t],a.G[t]=a.H[t],a.H[t]=Pd,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){ym=xm= -a.s;Xb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<xm?(xm=a.G[wa],ym=a.H[wa],Xb=wa):a.G[wa]==xm&&a.H[wa]<ym&&(ym=a.H[wa],Xb=wa);Pd=a.G[t];a.G[t]=a.G[Xb];a.G[Xb]=Pd;Pd=a.H[t];a.H[t]=a.H[Xb];a.H[Xb]=Pd;Pd=a.r[t];a.r[t]=a.r[Xb];a.r[Xb]=Pd;Pd=a.A[t];a.A[t]=a.A[Xb];a.A[Xb]=Pd;nH=a.e[t];a.e[t]=a.e[Xb];a.e[Xb]=nH}IO(a);eR(a);XR(a,G);YR(a,w,G)}else{XR(a,G);a.f=v(I,q,-1,a.t+1,1);for(r=1;r<=a.t;++r)a.f[r]=a.r[r]}c=1;a.a=v(I,q,-1,a.s+1,1);Ac=1;a.a[1]=1;for(ba=0;;){L=0;for(r=1;r<=a.y[c];++r)if(g=a.F[c][r],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=vb[c]){zc=!0;for(M=1;M<=gc;++M)if(o[M]==c&&n[M]==g||o[M]==g&&n[M]==c){zc=!1;break}zc&&(++gc,o[gc]=c,n[gc]=g)}}else m[++L]=g;if(0==L){if(Ac==a.s)break;c=l[ba--]}else if(1==L)vb[m[1]]=c,c=m[1],a.a[c]=++Ac;else{l[++ba]=c;e=0;for(r=1;r<=L;++r)if(h=NR(a,m[r],c),!G[h]){e=m[r];break}if(0==e)for(r=1;r<=L;++r)if(h=NR(a,m[r],c),2==a.f[h]||3==a.f[h]){e=m[r];break}0==e&&(e=m[1]);vb[e]=c;c=e;a.a[e]=++Ac}}vb=v(I,q,-1,a.s+1,1);b=v(I,q,-1,a.s+1,1);N=v(VR,k,-1,a.s+1,2);Ld=v(VR,k,-1,a.s+1,2);f=Ac=ba=0; -for(r=1;r<=a.s;++r)if(1==a.a[r]){c=r;break}a:for(;;){0<f&&(vb[c]=f);b[++Ac]=c;for(a.a[c]=0;;){L=e=0;V=a.s+1;r=1;b:for(;r<=a.y[c];++r){g=a.F[c][r];for(B=1;B<=gc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.a[g]&&(++L,a.a[g]<V&&(e=g,V=a.a[g]))}if(0==e){if(0==ba)break a;Ld[c]=!0;c=l[ba--]}else break}f=c;c=e;1<L&&(l[++ba]=f,N[e]=!0)}Md=v(I,q,-1,a.t+1,1);Nd=v(I,q,-1,a.s+1,1);if(a.k.Ib){var pH=vb,RW=gc,hs,qH,oh,ye,is,js,Ka,wj,ks;oh=v(I,q,-1,a.s+1,1);for(Ka=1;Ka<=a.s;++Ka)oh[b[Ka]]=Ka;is=v(VR, -k,-1,a.t+1,2);for(Ka=1;Ka<=a.s;++Ka)hs=b[Ka],qH=pH[hs],ye=NR(a,hs,qH),0!=ye&&($R(a,ye,oh,Md,G),is[ye]=!0);for(Ka=1;Ka<=a.t;++Ka)is[Ka]||$R(a,Ka,oh,Md,G);Ka=1;a:for(;Ka<=a.s;++Ka)if(!(2>a.y[Ka]||4<a.y[Ka])){js=ks=0;for(wj=1;wj<=a.y[Ka];++wj){ye=NR(a,Ka,a.F[Ka][wj]);if(5==a.f[ye])continue a;1==a.r[ye]&&0!=aS(a,ye,Ka)&&++ks;2==a.r[ye]&&(js=a.F[Ka][wj])}if(0!=ks)if(0<js){var fa=a,sH=Ka,ff=oh,Vc=Nd,ic=void 0,xj=void 0,Ec=void 0,ze=void 0,Fc=void 0,Dm=void 0,Em=void 0,Fm=void 0,Qd=void 0,Wc=void 0,Xc=void 0, -ls=void 0,yj=void 0,Rd=void 0,zj=void 0,Ae=void 0,Aj=void 0,ms=void 0,Bj=void 0,Be=void 0,tH=void 0,gf=void 0,uH=void 0,ns=void 0,Cj=void 0,hf=void 0,Xc=1,xj=sH,ic=v(I,q,-1,fa.s+1,1);for(ic[1]=sH;;){ls=!1;for(Wc=1;Wc<=fa.y[xj];++Wc)if(Ec=fa.F[xj][Wc],!(Ec==ic[1]||Ec==ic[Xc-1]))if(ze=NR(fa,xj,Ec),2==fa.r[ze]&&5!=fa.f[ze]){xj=ic[++Xc]=Ec;ls=!0;break}if(!ls)break}if(!(0==Xc%2||2>fa.y[ic[Xc]]||3<fa.y[ic[Xc]])){hf=ic[1];Fc=ic[~~((Xc+1)/2)];Qd=ic[Xc];gf=Be=Ae=Rd=0;ns=ms=!1;for(Wc=1;Wc<=fa.y[hf];++Wc)Ec= -fa.F[hf][Wc],ze=NR(fa,hf,Ec),1!=fa.r[ze]||5==fa.f[ze]||(0==Rd?Rd=Ec:Ae=Ec);0<ff[Ae]&&ff[Rd]>ff[Ae]&&(Dm=Rd,Rd=Ae,Ae=Dm);yj=Rd;0==Rd&&(yj=Ae,ms=!0);for(Wc=1;Wc<=fa.y[Qd];++Wc)Ec=fa.F[Qd][Wc],ze=NR(fa,Qd,Ec),1!=fa.r[ze]||5==fa.f[ze]||(0==Be?Be=Ec:gf=Ec);0<ff[gf]&&ff[Be]>ff[gf]&&(Dm=Be,Be=gf,gf=Dm);Bj=Be;0==Be&&(Bj=gf,ns=!0);zj=aS(fa,NR(fa,hf,Rd),hf);Aj=aS(fa,NR(fa,hf,Ae),hf);tH=aS(fa,NR(fa,Qd,Be),Qd);uH=aS(fa,NR(fa,Qd,gf),Qd);1<(0>zj+Aj?-(zj+Aj):zj+Aj)||0!=tH||0!=uH?tC(fa.k,qe):(Em=fa.I[ic[Xc-1]]-fa.I[Qd], -Fm=fa.L[ic[Xc-1]]-fa.L[Qd],Cj=Math.sqrt(Em*Em+Fm*Fm),0.001>Cj&&(Cj=0.001),0<(fa.L[Bj]-fa.L[ic[Xc-1]])*(Em/Cj)-(fa.I[Bj]-fa.I[ic[Xc-1]])*(Fm/Cj)?Vc[Fc]=1:Vc[Fc]=-1,ms&&(Vc[Fc]*=-1),ns&&(Vc[Fc]*=-1),yj==Rd&&0>zj&&(Vc[Fc]*=-1),yj==Ae&&0>Aj&&(Vc[Fc]*=-1),ff[yj]>ff[Bj]&&(Vc[Fc]*=-1))}}else b:{var jc=a,kc=Ka,SW=pH,TW=oh,UW=o,VW=n,WW=RW,Gm=Nd,Hm=void 0,Yc=void 0,os=void 0,ph=void 0,ya=void 0,qh=void 0,td=void 0,Dj=void 0,Sd=void 0,Ob=void 0,ca=void 0,Eb=void 0,Ce=void 0,Im=void 0,Zc=void 0,la=void 0,Jm= -void 0,Eb=v(I,q,-1,4,1),Im=v(I,q,-1,4,1),rh=jc,Td=kc,vH=TW,ps=SW,wH=UW,xH=VW,XW=WW,Fb=Eb,Ej=void 0,$c=void 0,Km=void 0,Lm=void 0,qs=void 0,Fj=void 0,Fj=-1;0<ps[Td]&&(Fb[++Fj]=ps[Td]);for($c=1;$c<=XW;++$c)wH[$c]==Td&&(Fb[++Fj]=xH[$c]),xH[$c]==Td&&(Fb[++Fj]=wH[$c]);for($c=Fj+1;$c<rh.y[Td];++$c){qs=rh.s+1;Km=1;c:for(;Km<=rh.y[Td];++Km){Ej=rh.F[Td][Km];for(Lm=0;Lm<$c;++Lm)if(Ej==Fb[Lm])continue c;vH[Ej]<qs&&(qs=vH[Ej],Fb[$c]=Ej)}}0==ps[Td]&&0<rh.w[Td]?(Fb[3]=Fb[2],Fb[2]=Fb[1],Fb[1]=Fb[0],Fb[0]=-1):0< -rh.w[Td]&&(Fb[3]=Fb[2],Fb[2]=Fb[1],Fb[1]=-1);for(ya=Dj=qh=ph=Jm=td=Ob=0;4>ya;++ya)0>=Eb[ya]||(Hm=NR(jc,kc,Eb[ya]),Im[ya]=aS(jc,Hm,kc),0<Im[ya]?(++Ob,Jm=Eb[ya],qh=Eb[ya]):0>Im[ya]?(++td,ph=Eb[ya],qh=Eb[ya]):Dj=Eb[ya]);Sd=Ob+td;la=v(I,q,-1,4,1);Zc=0;if(3==jc.y[kc]){if(1==Ob&&1==td||3==Sd&&0<Ob&&0<td){tC(jc.k,Mf);break b}Ce=Eb[0];1==Sd?Ce=qh:2==Sd&&(Ce=Dj);ca=LR(jc,kc,Ce,Eb);la[0]=qh;la[1]=-1;la[2]=ca[2];la[3]=ca[1];0<Ob?Zc=1:Zc=-1}else if(4==jc.y[kc])if(1==Sd)ca=LR(jc,kc,qh,Eb),la[0]=ca[0],la[1]=ca[3], -la[2]=ca[2],la[3]=ca[1],0<Ob?Zc=1:Zc=-1;else{Ce=Eb[0];1<Dj&&(Ce=Dj);1==Ob?Ce=Jm:1==td&&(Ce=ph);ca=LR(jc,kc,Ce,Eb);Yc=v(I,q,-1,4,1);for(ya=0;4>ya;++ya)Hm=NR(jc,kc,ca[ya]),Yc[ya]=aS(jc,Hm,kc);if(4==Sd){if(0==Ob||0==td){tC(jc.k,Nf);break b}if(1==Ob||1==td)la[0]=ca[0],la[1]=ca[3],la[2]=ca[2],la[3]=ca[1],Zc=Yc[0];else{for(ya=0;4>ya;++ya)-1==Yc[ya]&&(Yc[ya]=0);Sd=2}}else if(3==Sd)if(3==Ob||3==td)la[0]=ca[0],la[1]=ca[3],la[2]=ca[2],la[3]=ca[1],0<Ob?Zc=-1:Zc=1;else{1==Ob?Ob=os=1:td=os=-1;for(ya=0;4>ya;++ya)Yc[ya]== -os&&(Yc[ya]=0);Sd=2}if(2==Sd)if(1==Ob&&1==td)ca[1]==ph?(ca[1]=ca[2],ca[2]=ca[3]):ca[2]==ph&&(ca[2]=ca[3]),la[0]=Jm,la[1]=ph,la[2]=ca[2],la[3]=ca[1],Zc=1;else{if(Yc[0]==Yc[1]||Yc[1]==Yc[2]){tC(jc.k,Of);break b}0!=Yc[0]?(la[0]=ca[0],la[1]=ca[2],la[2]=ca[1],la[3]=ca[3]):(la[0]=ca[1],la[1]=ca[3],la[2]=ca[2],la[3]=ca[0]);1<Ob?Zc=1:Zc=-1}}var U=la,Gj=Eb,ib=void 0;Gj[0]==U[1]?(ib=U[0],U[0]=U[1],U[1]=ib,ib=U[2],U[2]=U[3],U[3]=ib):Gj[0]==U[2]?(ib=U[2],U[2]=U[0],U[0]=ib,ib=U[1],U[1]=U[3],U[3]=ib):Gj[0]==U[3]&& -(ib=U[3],U[3]=U[0],U[0]=ib,ib=U[1],U[1]=U[2],U[2]=ib);Gj[1]==U[2]?(ib=U[1],U[1]=U[2],U[2]=ib,ib=U[2],U[2]=U[3],U[3]=ib):Gj[1]==U[3]&&(ib=U[1],U[1]=U[3],U[3]=ib,ib=U[2],U[2]=U[3],U[3]=ib);la[2]==Eb[2]?Gm[kc]=1:la[2]==Eb[3]?Gm[kc]=-1:tC(jc.k,Pf);Gm[kc]*=Zc}}}gb=new tP;i=v(I,q,-1,a.s+1,1);for(r=1;r<=a.s;++r)i[b[r]]=r;for(r=1;r<=a.s;++r){c=b[r];N[c]&&Zy(gb.a,xb);0<vb[r]&&bS(a,c,vb[c],gb,Md);var sh=w[c],Gb=void 0,Hj=void 0,th=void 0,Q=void 0,Q=jj,Gb=!1;0!=a.z[c]&&(Gb=!0);0!=Nd[c]&&(Gb=!0);th=-1;for(Hj= -1;Hj<=a.x;++Hj)if(a.p[Hj][0]==c){th=a.p[Hj][1];break}-1<th&&(Gb=!0);a.k.Hb&&0<a.d[c]&&(Gb=!0,th=1);switch(a.b[c]){case 2:Q=ne;break;case 3:sh?Q=Vl:Q=Ee;break;case 4:sh?(Q=Kp,0<a.w[c]&&(Gb=!0)):Q=vh;break;case 5:sh?Q=hq:Q=Qh;break;case 7:sh?(Q=Oq,0<a.w[c]&&(Gb=!0)):Q=Wh;break;case 8:sh?Q=Xr:Q=wi;break;case 13:sh?Q=rs:Q=Di;Gb=!0;break;case 6:Q=Ii;Gb=!0;break;case 9:Q=Rf;break;case 10:Q=Ze;break;case 11:Q=we;break;case 12:Q=kg;break;case 1:Q=bg;Gb=!0;break;case 19:Q=hi;Gb=!0;break;case 20:Q=ii;Gb=!0; -break;case 21:Q=ji;Gb=!0;break;case 22:Q=ki;Gb=!0;break;case 18:Gb=!0,Q=a.n[c],(F(Q,Ib)||F(Q,el)||F(Q,Yd))&&(Gb=!1)}Gb&&(Q=lj+Q,1==Nd[c]?Q+=Wd:-1==Nd[c]&&(Q+=Xd),1==a.w[c]?Q+=bg:1<a.w[c]&&(Q+=bg+a.w[c]),0!=a.z[c]&&(0<a.z[c]?Q+=Jb:Q+=Tb,1<Wv(a.z[c])&&(Q+=Wv(a.z[c]))),-1<th&&(Q+=kd+th),Q+=Vk);Zy(gb.a,Q);for(B=1;B<=gc;++B)if(o[B]==c||n[B]==c)d=n[B],d==c&&(d=o[B]),i[c]<i[d]&&bS(a,o[B],n[B],gb,Md),9<B&&Zy(gb.a,jb),$y(gb,j+(new S(B)).a);Ld[c]&&Zy(gb.a,Ab)}return Nz(gb.a)} -function cR(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)zO(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], 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b;b=a.b.length;a.F=OD([b,7]);a.y=v(I,q,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function YR(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(I,q,-1,a.t+1,1);o=v(VR,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[NR(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:UR(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(VR,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function rQ(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=K(J(kP((a.I[b]+a.I[c])/2))),a.M[d]=K(J(kP((a.L[b]+a.L[c])/2)))}function XR(a,b){var c;for(c=1;c<=a.t;++c)OQ(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function MQ(a,b){var c;c=(YP(),rO)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function UR(a,b){return 2==a.r[b]?!0:!1}function OQ(a,b,c){var d,e,f,g;g=1;a.a=v(I,q,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function pR(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=OD([b+5,2]),uP(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function pO(a){var b;a.x=0;a.q=0;AR(a);for(b=1;b<=a.s;++b)a.C=b,pR(a);a.C=0} -function bR(a){var b,c;b=v(oQ,k,-1,4,1);pQ(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function kQ(a,b){var c,d,e,f,g,i,h,l;c=v(oQ,k,-1,4,1);pQ(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;pQ(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function yR(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function fR(a,b,c){var d,e,f,g,i;if(0==c.indexOf(lj)&&mP(c,Vk))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(Kb)&&(f=!0);-1<c.indexOf(nd)&&(f=!0);-1<c.indexOf(Va)&&(f=!0);-1<c.indexOf(Ia)&&(f=!0);d=c.indexOf(kd);e=c.indexOf(bg);g=Vv(c.indexOf(Jb),c.indexOf(Tb));if(-1<d){i=mG(c,d+1);try{a.k.x=GN(i,10)}catch(h){if(h=cv(h),y(h,73))a.k.x=0;else throw h;}a.C=b;pR(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=F(d,Ee)?3:F(d,ne)?2:F(d,vh)?4:F(d,Qh)?5:F(d,Wh)?7:F(d,wi)?8:F(d,Rf)?9:F(d,Ze)?10:F(d,we)?11:F(d,kg)?12:F(d,bg)?1:F(d,Di)?13:F(d,Ii)?6:F(d,hi)?19:F(d,ii)?20:F(d,ji)?21:F(d,ki)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ea;d=0;0<e&&(d=1,e=lP(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=lP(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=lP(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=lP(c,g++);for(;45==e;)--d,e=lP(c,g++)}a.z[b]=d}}} -function uO(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new 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f,g,i,h,l,m,o,n,r;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=NR(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=NR(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=NR(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=NR(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,r=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=r?0-r:r))tC(a.k,Lh);else{i=NR(a,b,e);f=NR(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=NR(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0==d[f]&&(0<o&&0<r||0>o&&0> 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109:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Y(b,g+a.Y-c,f+ -~~(a.Y/2),g+a.Y-~~(3*c/2),f+~~(a.Y/2)+~~(c/2));Y(b,g+a.Y-c,f+~~(a.Y/2),g+a.Y-~~(3*c/2),f+~~(a.Y/2)-~~(c/2));break;case 102:X(b,Mz);yA(b,g+3,f+5,a.Y-7,a.Y-11);X(b,Rz);AE(b,g+3,f+5,a.Y-7,a.Y-11);break;case 103:X(b,EC);a.ob&&xA(b,g+1,f+1,a.Y,a.Y,!1);X(b,Rz);GE(a,b,g,f,"NEW");break;case 106:X(b,Sz);Y(b,g+7,f+7,g+a.Y-7,f+a.Y-7);Y(b,g+8,f+7,g+a.Y-6,f+a.Y-7);Y(b,g+7,f+a.Y-7,g+a.Y-7,f+7);Y(b,g+8,f+a.Y-7,g+a.Y-6,f+7);X(b,Rz);Y(b,g+c,f+~~(a.Y/2),g+12,f+~~(a.Y/2));GE(a,b,g+6,f,lc);break;case 104:X(b,Sz);Y(b, -g+7,f+7,g+a.Y-7,f+a.Y-7);Y(b,g+8,f+7,g+a.Y-6,f+a.Y-7);Y(b,g+7,f+a.Y-7,g+a.Y-7,f+7);Y(b,g+8,f+a.Y-7,g+a.Y-6,f+7);X(b,Rz);break;case 105:a.Ib?(X(b,Wz),Y(b,g+11,f+5,g+9,f+9),Y(b,g+9,f+9,g+4,f+9),Y(b,g+4,f+9,g+8,f+12),Y(b,g+8,f+12,g+6,f+18),Y(b,g+6,f+18,g+11,f+15),Y(b,g+12,f+5,g+14,f+9),Y(b,g+14,f+9,g+19,f+9),Y(b,g+19,f+9,g+15,f+12),Y(b,g+15,f+12,g+17,f+18),Y(b,g+17,f+18,g+12,f+15),X(b,Rz)):GE(a,b,g,f,"123");break;case 113:X(b,Xz);c=a.Y-8;e=g+~~((a.Y-c)/2);d=f+~~((a.Y-c)/2);yA(b,e,d,c,c);X(b,Rz);HE(a, -b,g,f,Mz,"i");break;case 201:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)+2);Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)-2);Y(b,g+a.Y-c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)-2);break;case 202:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));break;case 203:Y(b,g+c,f+~~(a.Y/2)-2,g+a.Y-c,f+~~(a.Y/2)-2);Y(b,g+c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)+2);break;case 204:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Y(b,g+c,f+~~(a.Y/2)-3,g+a.Y-c,f+~~(a.Y/2)-3);Y(b,g+c,f+~~(a.Y/2)+3,g+a.Y-c,f+~~(a.Y/2)+3);break;case 205:Y(b,g+~~(c/2),f+ -2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Y(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Y(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:IE(a,b,g,f+2,3);break;case 207:IE(a,b,g,f,4);break;case 208:IE(a,b,g,f,5);break;case 209:IE(a,b,g,f,1);break;case 210:IE(a,b,g,f,6);break;case 211:IE(a,b,g,f,7);break;case 212:IE(a,b,g,f,8);break;case 213:GE(a,b,g,f,"FG"),a.F=new NA(g,f)}else c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e? -c=12:1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=xC[c]&&HE(a,b,g,f,wC[c],xC[c])}function JE(a){var b,c,d;a.jb&&(null==a.J&&(a.J=j),d=a.I.b,c=a.C.c-a.Y,b=a.Y,X(d,EC),yA(d,0,0,c,b),a.nb?(X(d,(Lz(),Qz)),AE(d,-1,0,c,b-1)):(X(d,fE),Y(d,0,0,c-1-2,0),X(d,Zz(EC)),Y(d,0,b-1,c-1,b-1),Y(d,c-1,0,c-1,b-1)),KE(d,a.X),X(d,(Lz(),Rz)),-1!=a.J.toLowerCase().indexOf(ee)&&X(d,Sz),LE(d,a.J,10,15),ME(a.Ob,a.I,a.Y,a.C.b-a.Y))} -function NE(a){var b,c,d,e;if(a.kb){d=a.Q.b;c=a.Y;b=a.C.b-2*a.Y-a.S;X(d,EC);yA(d,0,0,c,b);a.nb?(X(d,(Lz(),Qz)),Y(d,0,b-1,c,b-1),e=rC*(a.Y+a.S)+2,Y(d,0,e,c,e),Y(d,0,e,0,b),Y(d,a.Y-1,e,a.Y-1,b-a.Y)):(X(d,fE),Y(d,0,0,0,b-1),Y(d,0,rC*a.Y,b-1,rC*a.Y),X(d,Zz(EC)),Y(d,c-1,0,c-1,b-1-a.Y),Y(d,0,b-1,c-1,b-1));for(b=3;b<=rC+2;++b)zE(a,d,1,b);ME(a.Ob,a.Q,0,2*a.Y+a.S)}} -function OE(a){var b,c,d,e;if(a.lb){e=a.cb.b;c=a.C.c-a.Y;b=a.C.b-3*a.Y-a.S;X(e,a.t);yA(e,0,0,c,b);d=a.db?(VA(),YA):(VA(),$A);if((VA(),WA)==(VA(),WA))d==YA?e.b=j:e.b=pg;d=new jz(a.eb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ga);for(d=1;d<=a.tb;++d){var f=a.fb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,G=w=o=m=void 0,A=n=void 0,J=m=q=o=i=void 0,N=m=i=void 0,W=h=o=h=void 0,$=w=A=void 0,M=$=q=n=l=A=m=q=G=J=n=void 0,M=h=n=o=o=J=M=W=i=N=N=G=W=n=n=N=W=void 0,w=A=1,l=2, -$=3;f.w&&(wE(f),tE(f.n,1,f.n.tb,0),f.w=!1);1!=f.n.B&&(l*=f.n.B,$*=f.n.B,i=1,0.7>f.n.B&&(i=1.2),i=H(13*f.n.B*i),f.n.k=new lA(Tb,0,i),f.n.n=new bB((tp(),f.n.k)));f.n.A&&(X(g,(Lz(),Rz)),AE(g,0,0,f.n.C.c-1,f.n.C.b-1));if(0!=f.t){if(-1==f.k){m=K(I(Math.round(12*l)));for(i=1;i<=f.t;++i)0<f.e[i]&&7>f.e[i]&&(X(g,(dE(),hE)[f.e[i]]),h=g,o=H(f.J[i]-m/2),N=H(f.M[i]-m/2),W=M=m,BE(h,!0),CE(h,DE(h,o,N,M,W)));for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],0!=f.e[h]&&f.e[h]==f.e[m]&&(X(g,(dE(),hE)[f.e[h]]),n=f.J[m]-f.J[h], 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3:m=K(I(Math.round(W)));h=K(I(Math.round(M)));N=K(I(Math.round(N)));o=K(I(Math.round(o)));Y(g,m,h,N,o);W=K(I(Math.round($*A)));M=K(I(Math.round($*w)));Y(g,m+W,h-M,N+W,o-M);Y(g,m-W,h+M,N-W,o+M);break; -case 9:case 0:for(h=0;10>h;++h)G=W-(W-N)/10*h,J=M-(M-o)/10*h,Y(g,K(I(Math.round(G))),K(I(Math.round(J))),K(I(Math.round(G))),K(I(Math.round(J))));KE(g,f.n.k);m=QE(f.n.n);n=f.f[i];h=rb;null!=n&&(h=n);n=cB(f.n.n,h);W=K(I(Math.round((W+N)/2-n/2)));n=K(I(Math.round((M+o)/2+~~(m/2)-1)));X(g,Vz);LE(g,h,W,n);X(g,Rz);break;default:if(1==f.B[i]||3==f.B[i])q=$*A,n=$*w,J=v(F,k,-1,3,1),G=v(F,k,-1,3,1),J[0]=K(I(Math.round(N+q))),G[0]=K(I(Math.round(o-n))),J[1]=K(I(Math.round(W))),G[1]=K(I(Math.round(M))),J[2]= -K(I(Math.round(N-q))),G[2]=K(I(Math.round(o+n))),m=g,h=J,o=G,BE(m,!0),CE(m,PE(m,h,o,3,!0));else if(2==f.B[i]||4==f.B[i]){q=$*A;n=$*w;for(h=0;10>h;++h)G=W-(W-N)/10*h,J=M-(M-o)/10*h,m=h/10,Y(g,K(I(Math.round(G+q*m))),K(I(Math.round(J-n*m))),K(I(Math.round(G-q*m))),K(I(Math.round(J+n*m))))}else Y(g,K(I(Math.round(W))),K(I(Math.round(M))),K(I(Math.round(N))),K(I(Math.round(o))))}}w=v(uE,r,-1,f.t+1,1);A=v(F,k,-1,f.t+1,1);for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],l=f.J[h],o=f.J[m],++A[h],++A[m],w[h]=w[h]/A[h]+ -o/A[h],w[m]=w[m]/A[m]+l/A[m];KE(g,f.n.k);m=QE(f.n.n);M=v(js,r,1,f.t+1,0);N=v(F,k,-1,f.t+1,1);o=v(F,k,-1,f.t+1,1);l=v(RE,r,97,f.t+1,0);for(i=1;i<=f.t;++i)h=SE(f,i),(null==h||1>h.length)&&(h=wa),3==f.c[i]&&0<f.z[i]&&0==f.A[i]?(M[i]=h,N[i]=o[i]=cB(f.n.n,h),l[i]=TE(f,i,N[i],N[i],m,!1)):(W=w[i]<f.J[i],G=!0,1<A[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/3&&(G=!1),2<A[i]&&(G=!1),1==A[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/10&&(W=!0),n=h,J=j,f.n.Fb&&0<f.x[i]&&(J+=Sb,1<f.x[i]&& 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-W+q,n);if(0<f.D||0<f.E)if(X(g,104==f.n.c?(Lz(),Sz):(Lz(),Xz)),0<f.D&&106!=f.n.c&&(q=l[f.D],AE(g,q.d,q.e,q.c,q.b)),0<f.E&&(h=f.H[f.E],m=f.I[f.E],n=f.J[m]-f.J[h],A=f.M[m]-f.M[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=($+1)*A,n=($+1)*w,J=v(F,k,-1,5,1),G=v(F,k,-1,5,1),J[0]=K(I(rD(f.J[h]+q))),J[1]=K(I(rD(f.J[m]+q))),G[0]=K(I(rD(f.M[h]-n))),G[1]=K(I(rD(f.M[m]-n))),J[3]=K(I(rD(f.J[h]-q))),J[2]=K(I(rD(f.J[m]-q))),G[3]=K(I(rD(f.M[h]+n))),G[2]=K(I(rD(f.M[m]+n))),J[4]=J[0],G[4]=G[0],106!=f.n.c&&($=g,i= -J,A=G,$.o&&(BE($,!1),CE($,PE($,i,A,5,!0)))),106==f.n.c&&UE(f,f.H[f.E],f.I[f.E]))){$=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++$;if($>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;X(g,(Lz(),Sz));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],AE(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(X(e,(Lz(),Qz)),Y(e,c-1,0,c-1,b-1)):(X(e,Zz(EC)),Y(e,c-1,0,c-1,b-1),X(e,EC),Y(e,c-2,0,c-2,b-1),X(e,fE),Y(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),X(e,(Lz(),Vz)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),Y(e,d+48, -~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new lA(Tb,0,13),a.W=new bB(a.T),null!=a.bb&&(d=cB(a.W,a.bb),c=K(I(Math.round((c-d)/2))),b-=13,X(e,(Lz(),Rz)),KE(e,a.T),LE(e,a.bb,c,b)));ME(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function IE(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(F,k,-1,9,1);l=v(F,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=H(c+a*Math.sin(i)),l[f]=H(d+a*Math.cos(i));f=e+1;b.o&&(BE(b,!1),CE(b,PE(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=H(c+(a-3)*Math.sin(i)),l[f]=H(d+(a-3)*Math.cos(i));Y(b,h[0],l[0],h[1],l[1]);Y(b,h[2],l[2],h[3],l[3]);Y(b,h[4],l[4],h[5],l[5])}} -function VE(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,EC);yA(d,0,0,b,c);a.nb?(X(d,(Lz(),Qz)),c=13*(a.Y+a.S),AE(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,Zz(EC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,fE),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)zE(a,d,b,1),zE(a,d,b,2);a.c=c;ME(a.Ob,a.Lb,0,0)}} -function FE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Y(a,i,n,f,h);Y(a,g,n,f,h);i=~~(l/3);Y(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);EE(a,b,c+m-i,f,d-4-i-1,e,h)} -function WE(a,b){var c,d,e,f,g,i,h;JC(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=XE(b);h=new fC(b,g,!0);d=j;for(c=1;5>=c;++c)d=YE(h,g);c=nD(NB(Rn(d.substr(0,3)),10)).b;f=nD(NB(Rn(d.substr(3,3)),10)).b;YE(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=YE(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new ZE(a,e)}tE(a,1,c,1);tE(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new ZE(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",uC(a),!1;null!=a.i&&a.Z&&AC(a.Z,a.i,!0);null!=a.j&& -a.Z&&AC(a.Z,a.j,!1);g=$E(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new aF(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];tE(a,1,g,0)}uC(a);return!0} -function bF(a,b){var c,d,e,f,g,i,h,l;JC(a);c=f=0;l=new fC(b,"|>",!0);e=-1<b.indexOf(pb);i=1;g=ZB(l);a.tb=0;for(d=1;d<=g;++d)if(h=cC(l),Rn(h),!D(h,Zg))if(D(h,pb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new NC(a,h);if(0==a.Z.t)return PC(a,"ERROR - problems in reading/processing molecule !"),zB(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return PC(a,"ERROR - strange reaction - fixing !"),zB(),!1;if(3<i)return PC(a,"ERROR - strange reaction !"),zB(),!1;1<a.tb&&!e&&tC(a,wf);e&&!a.Bb&&tC(a,Yf);!e&&a.Bb&& -tC(a,Af);e?(tE(a,1,f,1),tE(a,f+1,c-1,2),tE(a,c,a.tb,3)):tE(a,1,a.tb,0);uC(a);return!0}function Eq(a,b){a.jb=!0;a.J=b} -function Iq(a,b){var c,d;if(0==b)return!1;rE(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:FC(a);d=a.$;d.b=d.c;d.c.d=null;cF(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;dF(a,aE(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new Ou("Cannot redo. Index is out of range."); -if(!d.b.d)throw new Ou(Wb);d.b=d.b.d;dF(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=Ft(d,d.b)):d=null;null==d?(a.jb=!0,a.J=ec):(Eq(a,ac+(a.Db.b+1)+da+a.Db.d),d=tD(d),BC(a,d,!1),null!=a.rb&&hC(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=Ft(d,d.b)):d=null;null==d?(a.jb=!0,a.J=ec):(Eq(a,ac+(a.Db.b+1)+da+a.Db.d),d=tD(d),BC(a,d,!1),null!=a.rb&&hC(a.rb,null));break;case 101:a.Gb&&VD(a.Gb);a.Gb=new eF(1,a);a.c=c;break;case 107:!a.zb?a.zb=new fF(a):a.zb.ac.d.hb?gF(a.zb.ac.d): -CC(a.zb);break;case 113:a.b&&VD(a.b);a.b=new eF(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,vC(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=hF(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(uE,r,-1,4,1);vE(a.Z,d);a.lb=!0;a.Z=new kE(a.Z);d=H(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;OC(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,iF(a.Z,a.Z.D),a.Z.D=0,sE(a)):0<a.Z.E&&(a.lb=!0,jF(a.Z,a.Z.E), -a.Z.E=0,sE(a));kF(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new SA;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new KA(c),QA(i,g),g.d=c,ez(g.e,a);cy(a,i);a.E=i}RA(a.E,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(VD(a.o),a.o=null);0==a.Z.D&&(a.o=new eF(2,a));a.d=18; -break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,sE(a)),18==a.d&&(d=Vn((Fq(),Gq).ac.b.pb,Rg),lF(a.Z,a.Z.D,d),sE(a)),kF(a.Z))}uC(a);return!0} -function Aq(a){var b,c,d;d=QC(a);c=j;if(a.Bb){var e,f,g;g=Zr([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)hF(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(mF(g[1][0],3)+mF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+nF(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+nF(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new oF(a,a.fb,a.tb)),c=nF(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function pF(a,b,c,d){var e;e=c;var f=d,g,i;(g=qF(b),i=0!=(b.f&2),g||i)?(a.Bb?RA((!a.w&&(a.w=qC(a,!0)),a.w),a,e,f):RA((!a.v&&(a.v=qC(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=rF(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=rC+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",uC(a), -!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Iq(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)iF(a.Z,a.Z.D),a.Z.D=0,sE(a);else{if(106==a.c)return!0;if(108==a.c)sF(a.Z,a.Z.D,0),sE(a);else if(157==a.c)sF(a.Z,a.Z.D,1),sE(a);else if(158==a.c)sF(a.Z,a.Z.D,-1),sE(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,Z(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):sE(a); -else if(206<=a.c&&229>=a.c)a.O=2,tF(a.Z),sE(a);else if(230==a.c)a.O=3,sE(a);else if(233<=a.c&&262>a.c)uF(a.Z,!1),sE(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;lF(a.Z,a.Z.D,Vn(a.zb.f.ac.b.pb,Rg));sE(a)}else if(105==a.c)vF(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=Vn((Fq(),Gq).ac.b.pb,Rg),1>d.length&&(d=Nc),lF(a.Z,a.Z.D,d)),sE(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,tF(a.Z),sE(a);else if(0<a.Z.E)if(104==a.c)jF(a.Z, -a.Z.E),a.Z.E=0,sE(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Eq(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;iF(d,c);d.b[c]=0}a.Z.E=0;sE(a)}else if(201==a.c)wF(a.Z,a.Z.E),sE(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),sE(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,sE(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,sE(a); -else if(206<=a.c&&229>=a.c)a.O=2,tF(a.Z),sE(a);else if(107==a.c){if(!a.zb.c)return!0;d=Vn(a.zb.f.ac.b.pb,Rg);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;sE(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new yE(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(xF(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,Z(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<= -a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,tF(a.Z)):300<a.c?(xF(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=Vn((Fq(),Gq).ac.b.pb,Rg),1>d.length&&(d=Nc),lF(a.Z,1,d))):230==a.c?zC(a,null):233<=a.c&&262>a.c?(xF(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,uF(a.Z,!0)):zB();sE(a)}else e=!1;e&&(kF(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,uC(a))}return e} -function yF(a,b,c,d){var e,f;if(a.z||!a.hb||qF(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=zF(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else 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e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+ -c*g/h,d[1]=a.M[b]+c*i/h)} -function tF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])VF(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,Z(a,0),a.D=a.t,VF(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Eq(a.n,"ERROR - cannot add aromatic spiro ring 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-a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)xF(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)CF(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[SF(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[SF(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(F,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=K(I(rD((a.J[b]+a.J[e])/2))),a.N[c]=K(I(rD((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;CF(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=K(I(rD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=K(I(rD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(CF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=K(I(rD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=K(I(rD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(CF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=K(I(rD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=K(I(rD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(iF(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&UF(a,i);-1<l&&(a.D=l)} -function VF(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)xF(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function UF(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=zF(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function SF(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function WF(a,b,c){var d,e,f,g;e=ah;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Ys(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Ys(c[d])&&!zs(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)Ss(c[d],e)&&(b[d]=g,c[d]=ah,++f);if(f==a.t)break}return g==a.t} -function wE(a){var b,c,d;b=v(uE,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{vE(a,b);c=~~(c/2)-K(I(Math.round(b[0])));d=~~(d/2)-K(I(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;xE(a)}} -function vE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function sF(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=XF(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&Eq(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Eq(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Eq(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Eq(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Eq(a.n,"Charge change not possible on the halogen !");break;case 18:Eq(a.n, -"Use X button to change charge on the X atom !")}} -function $E(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(F,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(F,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&iF(a,c);wE(a);Eq(a.n,"Smaller part(s) removed !");return 1} -function zF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function DF(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];kF(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),kF(a));4==a.s[d]&&(a.s[d]=1)}} -function RF(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 OC(a){var b;YF(a);b=a.s.length;a.K=v(F,k,-1,b,1);a.N=v(F,k,-1,b,1);xE(a);kF(a)} -function xF(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(F,k,-1,c,1),AD(a.c,b,a.c.length),a.c=b,b=v(F,k,-1,c,1),AD(a.A,b,a.A.length),a.A=b,b=v(F,k,-1,c,1),AD(a.x,b,a.x.length),a.x=b,b=v(F,k,-1,c,1),AD(a.e,b,a.e.length),a.e=b,b=v(js,r,1,c,0),AD(a.d,b,a.d.length),a.d=b,b=v(js,r,1,c,0),AD(a.o,b,a.o.length),a.o=b,b=v(uE,r,-1,c,1),AD(a.J,b,a.J.length),a.J=b,b=v(uE,r,-1,c,1),AD(a.M,b,a.M.length),a.M=b,b=Zr([c,7]),AD(a.G,b,a.G.length),a.G=b,c=v(F,k,-1,c,1),AD(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function TE(a,b,c,d,e,f){var g;g=K(I(rD(a.J[b]-c/2)));f||(g-=d-c);a=K(I(rD(a.M[b]-~~(e/2))));return new My(g-1-2,a-2,d+1+4,e+4)} -function CF(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(F,k,-1,b,1),AD(a.H,c,a.H.length),a.H=c,c=v(F,k,-1,b,1),AD(a.I,c,a.I.length),a.I=c,c=v(F,k,-1,b,1),AD(a.s,c,a.s.length),a.s=c,c=v(F,k,-1,b,1),AD(a.B,c,a.B.length),a.B=c,c=v(F,k,-1,b,1),AD(a.K,c,a.K.length),a.K=c,c=v(F,k,-1,b,1),AD(a.N,c,a.N.length),a.N=c,b=v(js,r,1,b,0),AD(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function nF(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(dE(),aa);i+="JME 2013-04-10 "+new OD+"\n \n";i+=mF(a.t,3)+mF(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=FF(0.055999999999999994*(a.J[e]-c),10,4)+FF(0.055999999999999994*(g-a.M[e]),10,4)+FF(0,10,4);h=SE(a,e);1==h.length?h+=" ":2==h.length?h+=ca:3<h.length&&(h="Q "); -i+=ca+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+mF(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=mF(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:ZF(a,e)&&(g=2),c=mF(a.H[e],3)+mF(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=mF(a.I[e],3)+mF(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=mF(a.I[e],3)+mF(a.H[e],3)),i+=c+mF(g,3)+mF(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+mF(e,4)+mF(a.A[e],4)+aa);return i+"M END\n"} -function GF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,N,W,$,M,mc,Dc,Tf,qb,Kd,Ld,Md,Va,Ec;o=v(F,k,-1,a.t+10,1);n=v(F,k,-1,a.t+10,1);l=v(F,k,-1,a.t+1,1);m=v(F,k,-1,7,1);qb=v(F,k,-1,a.t+1,1);w=v($F,r,-1,a.t+1,2);G=v($F,r,-1,a.u+1,2);mc=0;if(0==a.t)return j;$E(a,!0);Tf=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){Tf=!1;break}if(a.n.s&&Tf){aG(a);DF(a);bG(a,G);cG(a,w,G);var Db,pd,$e,$b,ue,qd,rd,cb,iH,Pd,t,va,vm,wm,Ds,gf,Ma,xm,ym,Hc,zm;Db=v(F,k,-1,a.t+1,1);pd=v(F,k,-1,a.t+1,1);cb=v(dG,r,-1,a.t+1,3);var Es=a.t,Am, -lh,Fs,eg,tj,Ae,hf;tj=v(dG,r,-1,Es+2,3);Ae=v(F,k,-1,100,1);hf=5;eg=0;Ae[0]=3;tj[1]=ch;tj[2]=dh;Fs=2;if(!(3>Es))for(;hf<Ae[eg]*Ae[eg];){lh=0;for(Am=!0;Am&&lh<=eg&&hf>=Ae[lh]*Ae[lh];)0==hf%Ae[lh]?Am=!1:++lh;if(Am){tj[++Fs]=Vs(hf);if(Fs>=Es)break;eg<Ae.length-1&&(++eg,Ae[eg]=hf)}hf+=2}for(t=1;t<=a.t;++t){for(va=ym=1;va<=a.u;++va)(a.H[va]==t||a.I[va]==t)&&(ym*=a.i[va]);xm=a.c[t];18==xm&&(zm=a.o[t],qd=zm.charCodeAt(0)-65+1,rd=0,1<zm.length&&(rd=zm.charCodeAt(1)-97),0>qd&&(qd=0),0>rd&&(rd=0),xm=28*qd+rd); -gf=0;-2>a.A[t]?gf=1:-2==a.A[t]?gf=2:-1==a.A[t]?gf=3:1==a.A[t]?gf=4:2==a.A[t]?gf=5:2<a.A[t]&&(gf=6);Hc=1;cb[t]=Vs(ym);Hc*=126;cb[t]=Qs(cb[t],Vs(a.x[t]*Hc));Hc*=7;cb[t]=Qs(cb[t],Vs(gf*Hc));Hc*=7;cb[t]=Qs(cb[t],Vs(xm*Hc));Hc*=783;cb[t]=Qs(cb[t],Vs(a.z[t]*Hc))}for(ue=0;!WF(a,Db,cb);){Ds=!1;for(t=1;t<=a.t;++t)Db[t]!=pd[t]&&(pd[t]=Db[t],Ds=!0);if(Ds){for(t=1;t<=a.t;++t){cb[t]=bh;for(va=1;va<=a.z[t];++va)cb[t]=Zs(cb[t],tj[Db[a.G[t][va]]])}ue=0}else if(0<ue){for(t=1;t<=a.t;++t)cb[t]=bh;t=1;a:for(;t<=a.t- -1;++t)for(va=t+1;va<=a.t;++va)if(Db[t]==Db[va]){cb[t]=ch;break a}}else{for(t=1;t<=a.t;++t){cb[t]=bh;for(va=1;va<=a.z[t];++va)$e=a.G[t][va],cb[t]=Zs(cb[t],Vs(a.c[$e]*a.i[SF(a,t,$e)]))}ue=1}WF(a,Db,cb);for(t=1;t<=a.t;++t)cb[t]=Vs(pd[t]*a.t+Db[t])}for(t=1;t<=a.t;++t)pd[t]=Db[t];for(Ma=1;Ma<=a.t;++Ma)for(t=1;t<=a.t;++t)if(pd[t]==Ma){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Ma];a.A[t]=a.A[Ma];a.J[t]=a.J[Ma];a.M[t]=a.M[Ma];a.z[t]=a.z[Ma];a.c[Ma]=a.c[0];a.A[Ma]=a.A[0]; -a.J[Ma]=a.J[0];a.M[Ma]=a.M[0];a.z[Ma]=a.z[0];pd[t]=pd[Ma];pd[Ma]=Ma;a.o[0]=a.o[t];a.o[t]=a.o[Ma];a.o[Ma]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Ma];a.e[Ma]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Ma];a.x[Ma]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Db[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Db[a.H[t]],a.I[t]=Db[a.I[t]],a.H[t]>a.I[t]&&(Pd=a.H[t],a.H[t]=a.I[t],a.I[t]=Pd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){wm=vm= -a.t;$b=0;for(va=t;va<=a.u;++va)a.H[va]<vm?(vm=a.H[va],wm=a.I[va],$b=va):a.H[va]==vm&&a.I[va]<wm&&(wm=a.I[va],$b=va);Pd=a.H[t];a.H[t]=a.H[$b];a.H[$b]=Pd;Pd=a.I[t];a.I[t]=a.I[$b];a.I[$b]=Pd;Pd=a.s[t];a.s[t]=a.s[$b];a.s[$b]=Pd;Pd=a.B[t];a.B[t]=a.B[$b];a.B[$b]=Pd;iH=a.f[t];a.f[t]=a.f[$b];a.f[$b]=iH}OC(a);kF(a);bG(a,G);cG(a,w,G)}else{bG(a,G);a.i=v(F,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(F,k,-1,a.t+1,1);Ec=1;a.b[1]=1;for($=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=qb[c]){Dc=!0;for(J=1;J<=mc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Dc=!1;break}Dc&&(++mc,o[mc]=c,n[mc]=g)}}else m[++M]=g;if(0==M){if(Ec==a.t)break;c=l[$--]}else if(1==M)qb[m[1]]=c,c=m[1],a.b[c]=++Ec;else{l[++$]=c;e=0;for(q=1;q<=M;++q)if(h=SF(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=SF(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);qb[e]=c;c=e;a.b[e]=++Ec}}qb=v(F,k,-1,a.t+1,1);b=v(F,k,-1,a.t+1,1);N=v($F,r,-1,a.t+1,2);Kd=v($F,r,-1,a.t+1,2);f=Ec=$=0;for(q= -1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(qb[c]=f);b[++Ec]=c;for(a.b[c]=0;;){M=e=0;W=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=mc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++M,a.b[g]<W&&(e=g,W=a.b[g]))}if(0==e){if(0==$)break a;Kd[c]=!0;c=l[$--]}else break}f=c;c=e;1<M&&(l[++$]=f,N[e]=!0)}Ld=v(F,k,-1,a.u+1,1);Md=v(F,k,-1,a.t+1,1);if(a.n.Jb){var kH=qb,uL=mc,Gs,lH,mh,Be,Hs,Is,Ka,uj,Js;mh=v(F,k,-1,a.t+1,1);for(Ka=1;Ka<=a.t;++Ka)mh[b[Ka]]=Ka;Hs=v($F,r,-1,a.u+ -1,2);for(Ka=1;Ka<=a.t;++Ka)Gs=b[Ka],lH=kH[Gs],Be=SF(a,Gs,lH),0!=Be&&(eG(a,Be,mh,Ld,G),Hs[Be]=!0);for(Ka=1;Ka<=a.u;++Ka)Hs[Ka]||eG(a,Ka,mh,Ld,G);Ka=1;a:for(;Ka<=a.t;++Ka)if(!(2>a.z[Ka]||4<a.z[Ka])){Is=Js=0;for(uj=1;uj<=a.z[Ka];++uj){Be=SF(a,Ka,a.G[Ka][uj]);if(5==a.i[Be])continue a;1==a.s[Be]&&0!=fG(a,Be,Ka)&&++Js;2==a.s[Be]&&(Is=a.G[Ka][uj])}if(0!=Js)if(0<Is){var fa=a,nH=Ka,jf=mh,Tc=Md,oc=void 0,vj=void 0,Ic=void 0,Ce=void 0,Jc=void 0,Bm=void 0,Cm=void 0,Dm=void 0,Qd=void 0,Uc=void 0,Vc=void 0,Ks= -void 0,wj=void 0,Rd=void 0,xj=void 0,De=void 0,yj=void 0,Ls=void 0,zj=void 0,Ee=void 0,oH=void 0,kf=void 0,pH=void 0,Ms=void 0,Aj=void 0,lf=void 0,Vc=1,vj=nH,oc=v(F,k,-1,fa.t+1,1);for(oc[1]=nH;;){Ks=!1;for(Uc=1;Uc<=fa.z[vj];++Uc)if(Ic=fa.G[vj][Uc],!(Ic==oc[1]||Ic==oc[Vc-1]))if(Ce=SF(fa,vj,Ic),2==fa.s[Ce]&&5!=fa.i[Ce]){vj=oc[++Vc]=Ic;Ks=!0;break}if(!Ks)break}if(!(0==Vc%2||2>fa.z[oc[Vc]]||3<fa.z[oc[Vc]])){lf=oc[1];Jc=oc[~~((Vc+1)/2)];Qd=oc[Vc];kf=Ee=De=Rd=0;Ms=Ls=!1;for(Uc=1;Uc<=fa.z[lf];++Uc)Ic=fa.G[lf][Uc], -Ce=SF(fa,lf,Ic),1!=fa.s[Ce]||5==fa.i[Ce]||(0==Rd?Rd=Ic:De=Ic);0<jf[De]&&jf[Rd]>jf[De]&&(Bm=Rd,Rd=De,De=Bm);wj=Rd;0==Rd&&(wj=De,Ls=!0);for(Uc=1;Uc<=fa.z[Qd];++Uc)Ic=fa.G[Qd][Uc],Ce=SF(fa,Qd,Ic),1!=fa.s[Ce]||5==fa.i[Ce]||(0==Ee?Ee=Ic:kf=Ic);0<jf[kf]&&jf[Ee]>jf[kf]&&(Bm=Ee,Ee=kf,kf=Bm);zj=Ee;0==Ee&&(zj=kf,Ms=!0);xj=fG(fa,SF(fa,lf,Rd),lf);yj=fG(fa,SF(fa,lf,De),lf);oH=fG(fa,SF(fa,Qd,Ee),Qd);pH=fG(fa,SF(fa,Qd,kf),Qd);1<(0>xj+yj?-(xj+yj):xj+yj)||0!=oH||0!=pH?Eq(fa.n,"Bad stereoinfo on allene !"):(Cm=fa.J[oc[Vc- -1]]-fa.J[Qd],Dm=fa.M[oc[Vc-1]]-fa.M[Qd],Aj=Math.sqrt(Cm*Cm+Dm*Dm),0.001>Aj&&(Aj=0.001),0<(fa.M[zj]-fa.M[oc[Vc-1]])*(Cm/Aj)-(fa.J[zj]-fa.J[oc[Vc-1]])*(Dm/Aj)?Tc[Jc]=1:Tc[Jc]=-1,Ls&&(Tc[Jc]*=-1),Ms&&(Tc[Jc]*=-1),wj==Rd&&0>xj&&(Tc[Jc]*=-1),wj==De&&0>yj&&(Tc[Jc]*=-1),jf[wj]>jf[zj]&&(Tc[Jc]*=-1))}}else b:{var pc=a,qc=Ka,vL=kH,wL=mh,xL=o,yL=n,zL=uL,Em=Md,Fm=void 0,Wc=void 0,Ns=void 0,nh=void 0,za=void 0,oh=void 0,td=void 0,Bj=void 0,Sd=void 0,Mb=void 0,ba=void 0,Fb=void 0,Fe=void 0,Gm=void 0,Xc=void 0, -ka=void 0,Hm=void 0,Fb=v(F,k,-1,4,1),Gm=v(F,k,-1,4,1),ph=pc,Td=qc,qH=wL,Os=vL,rH=xL,sH=yL,AL=zL,Gb=Fb,Cj=void 0,Yc=void 0,Im=void 0,Jm=void 0,Ps=void 0,Dj=void 0,Dj=-1;0<Os[Td]&&(Gb[++Dj]=Os[Td]);for(Yc=1;Yc<=AL;++Yc)rH[Yc]==Td&&(Gb[++Dj]=sH[Yc]),sH[Yc]==Td&&(Gb[++Dj]=rH[Yc]);for(Yc=Dj+1;Yc<ph.z[Td];++Yc){Ps=ph.t+1;Im=1;c:for(;Im<=ph.z[Td];++Im){Cj=ph.G[Td][Im];for(Jm=0;Jm<Yc;++Jm)if(Cj==Gb[Jm])continue c;qH[Cj]<Ps&&(Ps=qH[Cj],Gb[Yc]=Cj)}}0==Os[Td]&&0<ph.x[Td]?(Gb[3]=Gb[2],Gb[2]=Gb[1],Gb[1]=Gb[0], -Gb[0]=-1):0<ph.x[Td]&&(Gb[3]=Gb[2],Gb[2]=Gb[1],Gb[1]=-1);for(za=Bj=oh=nh=Hm=td=Mb=0;4>za;++za)0>=Fb[za]||(Fm=SF(pc,qc,Fb[za]),Gm[za]=fG(pc,Fm,qc),0<Gm[za]?(++Mb,Hm=Fb[za],oh=Fb[za]):0>Gm[za]?(++td,nh=Fb[za],oh=Fb[za]):Bj=Fb[za]);Sd=Mb+td;ka=v(F,k,-1,4,1);Xc=0;if(3==pc.z[qc]){if(1==Mb&&1==td||3==Sd&&0<Mb&&0<td){Eq(pc.n,"Error in C3H stereospecification !");break b}Fe=Fb[0];1==Sd?Fe=oh:2==Sd&&(Fe=Bj);ba=QF(pc,qc,Fe,Fb);ka[0]=oh;ka[1]=-1;ka[2]=ba[2];ka[3]=ba[1];0<Mb?Xc=1:Xc=-1}else if(4==pc.z[qc])if(1== -Sd)ba=QF(pc,qc,oh,Fb),ka[0]=ba[0],ka[1]=ba[3],ka[2]=ba[2],ka[3]=ba[1],0<Mb?Xc=1:Xc=-1;else{Fe=Fb[0];1<Bj&&(Fe=Bj);1==Mb?Fe=Hm:1==td&&(Fe=nh);ba=QF(pc,qc,Fe,Fb);Wc=v(F,k,-1,4,1);for(za=0;4>za;++za)Fm=SF(pc,qc,ba[za]),Wc[za]=fG(pc,Fm,qc);if(4==Sd){if(0==Mb||0==td){Eq(pc.n,"Error in C4 stereospecification !");break b}if(1==Mb||1==td)ka[0]=ba[0],ka[1]=ba[3],ka[2]=ba[2],ka[3]=ba[1],Xc=Wc[0];else{for(za=0;4>za;++za)-1==Wc[za]&&(Wc[za]=0);Sd=2}}else if(3==Sd)if(3==Mb||3==td)ka[0]=ba[0],ka[1]=ba[3],ka[2]= -ba[2],ka[3]=ba[1],0<Mb?Xc=-1:Xc=1;else{1==Mb?Mb=Ns=1:td=Ns=-1;for(za=0;4>za;++za)Wc[za]==Ns&&(Wc[za]=0);Sd=2}if(2==Sd)if(1==Mb&&1==td)ba[1]==nh?(ba[1]=ba[2],ba[2]=ba[3]):ba[2]==nh&&(ba[2]=ba[3]),ka[0]=Hm,ka[1]=nh,ka[2]=ba[2],ka[3]=ba[1],Xc=1;else{if(Wc[0]==Wc[1]||Wc[1]==Wc[2]){Eq(pc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Wc[0]?(ka[0]=ba[0],ka[1]=ba[2],ka[2]=ba[1],ka[3]=ba[3]):(ka[0]=ba[1],ka[1]=ba[3],ka[2]=ba[2],ka[3]=ba[0]);1<Mb?Xc=1:Xc=-1}}var T=ka,Ej=Fb,ib=void 0;Ej[0]==T[1]?(ib= -T[0],T[0]=T[1],T[1]=ib,ib=T[2],T[2]=T[3],T[3]=ib):Ej[0]==T[2]?(ib=T[2],T[2]=T[0],T[0]=ib,ib=T[1],T[1]=T[3],T[3]=ib):Ej[0]==T[3]&&(ib=T[3],T[3]=T[0],T[0]=ib,ib=T[1],T[1]=T[2],T[2]=ib);Ej[1]==T[2]?(ib=T[1],T[1]=T[2],T[2]=ib,ib=T[2],T[2]=T[3],T[3]=ib):Ej[1]==T[3]&&(ib=T[1],T[1]=T[3],T[3]=ib,ib=T[2],T[2]=T[3],T[3]=ib);ka[2]==Fb[2]?Em[qc]=1:ka[2]==Fb[3]?Em[qc]=-1:Eq(pc.n,"Error in stereoprocessing ! - t30");Em[qc]*=Xc}}}Va=new zD;i=v(F,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -N[c]&&(Va.b.b+=ta);0<qb[q]&&gG(a,c,qb[c],Va,Ld);var qh=w[c],Hb=void 0,Fj=void 0,rh=void 0,R=void 0,R=Nc,Hb=!1;0!=a.A[c]&&(Hb=!0);0!=Md[c]&&(Hb=!0);rh=-1;for(Fj=1;Fj<=a.y;++Fj)if(a.q[Fj][0]==c){rh=a.q[Fj][1];break}-1<rh&&(Hb=!0);a.n.Ib&&0<a.e[c]&&(Hb=!0,rh=1);switch(a.c[c]){case 2:R=xb;break;case 3:qh?R="c":R=Ab;break;case 4:qh?(R=xf,0<a.x[c]&&(Hb=!0)):R=bc;break;case 5:qh?R="o":R=ic;break;case 7:qh?(R="p",0<a.x[c]&&(Hb=!0)):R=kc;break;case 8:qh?R=ig:R=zc;break;case 13:qh?R=lg:R=Bc;Hb=!0;break;case 6:R= -Cc;Hb=!0;break;case 9:R=Ob;break;case 10:R=Ib;break;case 11:R=zb;break;case 12:R=Ub;break;case 1:R=Sb;Hb=!0;break;case 19:R=lc;Hb=!0;break;case 20:R=nc;Hb=!0;break;case 21:R=rc;Hb=!0;break;case 22:R=sc;Hb=!0;break;case 18:Hb=!0,R=a.o[c],(D(R,wa)||D(R,Sc)||D(R,tb))&&(Hb=!1)}Hb&&(R=Oc+R,1==Md[c]?R+=sb:-1==Md[c]&&(R+="@@"),1==a.x[c]?R+=Sb:1<a.x[c]&&(R+=Sb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?R+=xa:R+=Ba,1<Lj(a.A[c])&&(R+=Lj(a.A[c]))),-1<rh&&(R+=kb+rh),R+=Qc);hn(Va.b,R);for(A=1;A<=mc;++A)if(o[A]==c||n[A]==c)d= -n[A],d==c&&(d=o[A]),i[c]<i[d]&&gG(a,o[A],n[A],Va,Ld),9<A&&(Va.b.b+="%"),gn(Va,j+(new Q(A)).b);Kd[c]&&(Va.b.b+=ua)}return Va.b.b} -function iF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)FC(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function jF(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&iF(a,c);0==a.z[d]&&iF(a,d)} -function aG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=SF(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&iF(a,c)}}}function YF(a){var b;b=a.c.length;a.G=Zr([b,7]);a.z=v(F,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function cG(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(F,k,-1,a.u+1,1);o=v($F,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[SF(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:ZF(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v($F,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function xE(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=K(I(rD((a.J[b]+a.J[c])/2))),a.N[d]=K(I(rD((a.M[b]+a.M[c])/2)))}function bG(a,b){var c;for(c=1;c<=a.u;++c)UE(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function SE(a,b){var c;c=(dE(),xC)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function ZF(a,b){return 2==a.s[b]?!0:!1}function UE(a,b,c){var d,e,f,g;g=1;a.b=v(F,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function vF(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Zr([b+5,2]),AD(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function vC(a){var b;a.y=0;a.r=0;GF(a);for(b=1;b<=a.t;++b)a.D=b,vF(a);a.D=0} -function hF(a){var b,c;b=v(uE,r,-1,4,1);vE(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function qE(a,b){var c,d,e,f,g,i,h,l;c=v(uE,r,-1,4,1);vE(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;vE(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function EF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function lF(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&sD(c,Qc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(ya)&&(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(Sb);g=Kj(c.indexOf(xa),c.indexOf(Ba));if(-1<d){i=Sn(c,d+1);try{a.n.y=NB(i,10)}catch(h){if(h=Ei(h),y(h,118))a.n.y=0;else throw h;}a.D=b;vF(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Ab)?3:D(d,xb)?2:D(d,bc)?4:D(d,ic)?5:D(d,kc)?7:D(d,zc)?8:D(d,Ob)?9:D(d,Ib)?10:D(d,zb)?11:D(d,Ub)?12:D(d,Sb)?1:D(d,Bc)?13:D(d,Cc)?6:D(d,lc)?19:D(d,nc)?20:D(d,rc)?21:D(d,sc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ca;d=0;0<e&&(d=1,e=aD(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=aD(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=aD(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=aD(c,g++);for(;45==e;)--d,e=aD(c,g++)}a.A[b]=d}}} -function AC(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new gC(b);try{for(;b.k=$B(b,b.b),b.k<b.j;)d=nD(NB(cC(b),10)).b,c=e=nD(NB(cC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Ei(f),y(f,118))en(f);else throw f;}}function gG(a,b,c,d,e){b=SF(a,b,c);5!=a.i[b]&&ZF(a,b)?d.b.b+=ob:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=rb,a=a.f[b],null!=a&&(e=a),hn(d.b,e)):1==e[b]?d.b.b+=Xa:-1==e[b]&&(d.b.b+=Pc)} -function wF(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Eq(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Eq(a.n,"Stereomarking allowed only on single and double bonds!")} -function eG(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=SF(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=SF(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=SF(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=SF(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Eq(a.n,"Not unique E/Z geometry !");else{i=SF(a,b,e);f=SF(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=SF(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function XF(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=SF(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(ZF(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function fG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function kF(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=XF(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function yE(a){PF(this);this.n=a;this.y=this.u=this.t=0} -function ZE(a,b){var c,d,e,f,g,i,h;yE.call(this,a);f=j;i=XE(b);if(null!=i){h=new fC(b,i,!0);for(e=1;4>=e;++e)f=YE(h,i);g=nD(NB(Rn(f.substr(0,3)),10)).b;c=nD(NB(Rn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)xF(this),f=YE(h,i),this.J[e]=(new mD(jD(Rn(f.substr(0,10))))).b,this.M[e]=-(new mD(jD(Rn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Rn(f.substr(31,d-31)),lF(this,e,d),62<=f.length&&(f=Rn(f.substr(60,3)),0<f.length&&(f=nD(NB(f,10)).b,0<f&&(this.D=e,a.y=f,vF(this),this.D=0)));for(e=1;e<=c;++e)CF(this), -f=YE(h,i),this.H[e]=nD(NB(Rn(f.substr(0,3)),10)).b,this.I[e]=nD(NB(Rn(f.substr(3,3)),10)).b,g=nD(NB(Rn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=nD(NB(Rn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);YF(this);EF(this);wE(this);for(OC(this);(h.k=$B(h,h.b),h.k<h.j)&&!(null==(f=cC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new 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c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e? -c=12:1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=$B[c]&&jE(a,b,g,f,ZB[c],$B[c])}function lE(a){var b,c,d;a.ib&&(null==a.I&&(a.I=j),d=a.H.a,c=a.B.b-a.X,b=a.X,Y(d,gC),Zz(d,0,0,c,b),a.mb?(Y(d,(lz(),qz)),cE(d,-1,0,c,b-1)):(Y(d,ID),Z(d,0,0,c-1-2,0),Y(d,zz(gC)),Z(d,0,b-1,c-1,b-1),Z(d,c-1,0,c-1,b-1)),mE(d,a.W),Y(d,(lz(),rz)),-1!=a.I.toLowerCase().indexOf(Zd)&&Y(d,sz),nE(d,a.I,10,15),oE(a.Nb,a.H,a.X,a.B.a-a.X))} -function pE(a){var b,c,d,e;if(a.jb){d=a.P.a;c=a.X;b=a.B.a-2*a.X-a.R;Y(d,gC);Zz(d,0,0,c,b);a.mb?(Y(d,(lz(),qz)),Z(d,0,b-1,c,b-1),e=UB*(a.X+a.R)+2,Z(d,0,e,c,e),Z(d,0,e,0,b),Z(d,a.X-1,e,a.X-1,b-a.X)):(Y(d,ID),Z(d,0,0,0,b-1),Z(d,0,UB*a.X,b-1,UB*a.X),Y(d,zz(gC)),Z(d,c-1,0,c-1,b-1-a.X),Z(d,0,b-1,c-1,b-1));for(b=3;b<=UB+2;++b)bE(a,d,1,b);oE(a.Nb,a.P,0,2*a.X+a.R)}} -function qE(a){var 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3:m=M(L(Math.round(V)));h=M(L(Math.round(N)));O=M(L(Math.round(O)));o=M(L(Math.round(o)));Z(g,m,h,O,o);V=M(L(Math.round(ca*A)));N=M(L(Math.round(ca*w)));Z(g,m+V,h-N,O+V,o-N);Z(g,m-V,h+N,O-V,o+N);break; -case 9:case 0:for(h=0;10>h;++h)H=V-(V-O)/10*h,K=N-(N-o)/10*h,Z(g,M(L(Math.round(H))),M(L(Math.round(K))),M(L(Math.round(H))),M(L(Math.round(K))));mE(g,f.k.j);m=sE(f.k.k);n=f.e[i];h=tb;null!=n&&(h=n);n=DA(f.k.k,h);V=M(L(Math.round((V+O)/2-n/2)));n=M(L(Math.round((N+o)/2+~~(m/2)-1)));Y(g,vz);nE(g,h,V,n);Y(g,rz);break;default:if(1==f.A[i]||3==f.A[i])q=ca*A,n=ca*w,K=v(I,r,-1,3,1),H=v(I,r,-1,3,1),K[0]=M(L(Math.round(O+q))),H[0]=M(L(Math.round(o-n))),K[1]=M(L(Math.round(V))),H[1]=M(L(Math.round(N))),K[2]= -M(L(Math.round(O-q))),H[2]=M(L(Math.round(o+n))),m=g,h=K,o=H,dE(m,!0),eE(m,rE(m,h,o,3,!0));else if(2==f.A[i]||4==f.A[i]){q=ca*A;n=ca*w;for(h=0;10>h;++h)H=V-(V-O)/10*h,K=N-(N-o)/10*h,m=h/10,Z(g,M(L(Math.round(H+q*m))),M(L(Math.round(K-n*m))),M(L(Math.round(H-q*m))),M(L(Math.round(K+n*m))))}else Z(g,M(L(Math.round(V))),M(L(Math.round(N))),M(L(Math.round(O))),M(L(Math.round(o))))}}w=v(XD,k,-1,f.s+1,1);A=v(I,r,-1,f.s+1,1);for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],l=f.I[h],o=f.I[m],++A[h],++A[m],w[h]=w[h]/ -A[h]+o/A[h],w[m]=w[m]/A[m]+l/A[m];mE(g,f.k.j);m=sE(f.k.k);N=v(Lr,k,1,f.s+1,0);O=v(I,r,-1,f.s+1,1);o=v(I,r,-1,f.s+1,1);l=v(tE,k,52,f.s+1,0);for(i=1;i<=f.s;++i)h=uE(f,i),(null==h||1>h.length)&&(h=xa),3==f.b[i]&&0<f.y[i]&&0==f.z[i]?(N[i]=h,O[i]=o[i]=DA(f.k.k,h),l[i]=vE(f,i,O[i],O[i],m,!1)):(V=w[i]<f.I[i],H=!0,1<A[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/3&&(H=!1),2<A[i]&&(H=!1),1==A[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/10&&(V=!0),n=h,K=j,f.k.Eb&&0<f.w[i]&&(K+=Tb, -1<f.w[i]&&(K+=f.w[i])),q=j,0!=f.z[i]&&(1<Ej(f.z[i])&&(q+=Ej(f.z[i])),0<f.z[i]?q+=za:q+=Ca),V||!H?h=h+K+q+j:h=q+K+j+h,H||(n=h),N[i]=h,n=DA(f.k.k,n),q=DA(f.k.k,h),O[i]=n,o[i]=q,q=l[i]=vE(f,i,n,q,m,V),V=q.c+2+1,n=q.d+m+2,Y(g,f.k.s),-1==f.j&&0!=f.d[i]&&Y(g,(GD(),KD)[f.d[i]]),Zz(g,q.c,q.d,q.b,q.a),1==f.j?0!=f.d[i]?Y(g,(GD(),KD)[f.d[i]]):Y(g,(lz(),rz)):Y(g,(GD(),ZB)[f.b[i]]),nE(g,h,V,n));for(h=1;h<=f.x;++h)i=f.p[h][0],n=O[i],q=o[i],V=M(L(UC(f.I[i]-n/2))),n=M(L(UC(f.L[i]+~~(m/2)-1))),Y(g,(lz(),vz)),nE(g, 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-f.k.b&&(ca=g,i=K,A=H,ca.n&&(dE(ca,!1),eE(ca,rE(ca,i,A,5,!0)))),106==f.k.b&&wE(f,f.G[f.D],f.H[f.D]))){ca=0;for(i=1;i<=f.s;++i)0<f.a[i]&&++ca;if(ca>~~(f.s/2))for(i=1;i<=f.s;++i)0<f.a[i]?f.a[i]=0:f.a[i]=1;Y(g,(lz(),sz));for(i=1;i<=f.s;++i)0<f.a[i]&&(q=l[i],cE(g,q.c,q.d,q.b,q.a))}}}a.y||(a.mb?(Y(e,(lz(),qz)),Z(e,c-1,0,c-1,b-1)):(Y(e,zz(gC)),Z(e,c-1,0,c-1,b-1),Y(e,gC),Z(e,c-2,0,c-2,b-1),Y(e,ID),Z(e,c-3,0,c-3,b-1)));a.Ab&&(d=~~((c-48)/2),Y(e,(lz(),vz)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.y&&(a.S=new Mz(Ub,0,13),a.V=new CA(a.S),null!=a.ab&&(d=DA(a.V,a.ab),c=M(L(Math.round((c-d)/2))),b-=13,Y(e,(lz(),rz)),mE(e,a.S),nE(e,a.ab,c,b)));oE(a.Nb,a.bb,a.X,2*a.X+a.R)}} -function kE(a,b,c,d,e){var f,g,i,h,l;f=~~(a.X/4);g=!1;h=v(I,r,-1,9,1);l=v(I,r,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+a*Math.sin(i)),l[f]=J(d+a*Math.cos(i));f=e+1;b.n&&(dE(b,!1),eE(b,rE(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+(a-3)*Math.sin(i)),l[f]=J(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function xE(a){var b,c,d;if(a.lb){d=a.Kb.a;b=a.B.b;c=2*a.X+a.R;Y(d,gC);Zz(d,0,0,b,c);a.mb?(Y(d,(lz(),qz)),c=13*(a.X+a.R),cE(d,c,0,b-c-1,2*a.X+a.R-1)):(Y(d,zz(gC)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,ID),Z(d,0,0,b-1,0));c=a.b;233<=a.b&&262>=a.b&&(a.b=213);for(b=1;13>=b;++b)bE(a,d,b,1),bE(a,d,b,2);a.b=c;oE(a.Nb,a.Kb,0,0)}} -function hE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);gE(a,b,c+m-i,f,d-4-i-1,e,h)} -function yE(a,b){var c,d,e,f,g,i,h;lC(a);if(0==b.indexOf("$RXN")){a.Ab=!0;a.hb=!0;g=zE(b);h=new IB(b,g,!0);d=j;for(c=1;5>=c;++c)d=AE(h,g);c=QC(pB(Hn(d.substr(0,3)),10)).a;f=QC(pB(Hn(d.substr(3,3)),10)).a;AE(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=AE(h,g),null==i||E(i,"$MOL"));)e+=i+g;a.eb[++a.sb]=new BE(a,e)}WD(a,1,c,1);WD(a,c+1,c+f,3)}else{a.Ab=!1;a.Y=new BE(a,b);if(!a.Y||0==a.Y.s)return a.ib=!0,a.I="ERROR - problems in reading/processing MOL input",XB(a),!1;null!=a.f&&a.Y&&cC(a.Y,a.f,!0);null!=a.i&& -a.Y&&cC(a.Y,a.i,!1);g=CE(a.Y,!1);if(1==g)a.eb[++a.sb]=a.Y;else{a.hb=!0;for(d=1;d<=g;++d)a.eb[++a.sb]=new DE(a,a.Y,d)}a.d=1;a.Y=a.eb[a.d];WD(a,1,g,0)}XB(a);return!0} -function EE(a,b){var c,d,e,f,g,i,h,l;lC(a);c=f=0;l=new IB(b,"|>",!0);e=-1<b.indexOf(sb);i=1;g=BB(l);a.sb=0;for(d=1;d<=g;++d)if(h=FB(l),Hn(h),!E(h,Wg))if(E(h,sb))++i,2==i?f=a.sb:3==i&&(c=a.sb+1);else{a.Y=new pC(a,h);if(0==a.Y.s)return rC(a,"ERROR - problems in reading/processing molecule !"),bB(),!1;++a.sb;a.d=a.sb;a.eb[a.sb]=a.Y}if(2==i)return rC(a,"ERROR - strange reaction - fixing !"),bB(),!1;if(3<i)return rC(a,"ERROR - strange reaction !"),bB(),!1;1<a.sb&&!e&&WB(a,rf);e&&!a.Ab&&WB(a,Uf);!e&&a.Ab&& -WB(a,vf);e?(WD(a,1,f,1),WD(a,f+1,c-1,2),WD(a,c,a.sb,3)):WD(a,1,a.sb,0);XB(a);return!0}function gq(a,b){a.ib=!0;a.I=b} -function kq(a,b){var c,d;if(0==b)return!1;UD(a);c=a.b;a.b=b;if(300>=b)switch(a.lb=!0,a.jb=!0,b){case 102:hC(a);d=a.Z;d.a=d.b;d.b.c=null;FE(a.Cb);break;case 110:a.kb=!0;a.b=c;a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b?a.e&&(++a.sb,a.d=a.sb,a.e=!1):(a.ib=!0,a.I="No more undo");if(!(a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b))break;GE(a,DD(a.Z));a.kb=!0;break;case 111:a.b=c;if(a.Z.a.c)a.e&&(++a.sb,a.d=a.sb,a.e=!1);else{a.ib=!0;a.I="No more redo";break}if(!a.Z.a.c)break;d=a.Z;if(!d.a.c)throw new su("Cannot redo. Index is out of range."); -if(!d.a.c)throw new su(Yb);d.a=d.a.c;GE(a,d.a.a);a.kb=!0;break;case 152:a.b=c;d=a.Cb;d.a<d.c-1?(++d.a,d=it(d,d.a)):d=null;null==d?(a.ib=!0,a.I=fc):(gq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=WC(d),dC(a,d,!1),null!=a.qb&&KB(a.qb,null));break;case 151:a.b=c;d=a.Cb;0<d.a?(--d.a,d=it(d,d.a)):d=null;null==d?(a.ib=!0,a.I=fc):(gq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=WC(d),dC(a,d,!1),null!=a.qb&&KB(a.qb,null));break;case 101:a.Fb&&xD(a.Fb);a.Fb=new HE(1,a);a.b=c;break;case 107:!a.yb?a.yb=new IE(a):a.yb._b.c.$?JE(a.yb._b.c): -eC(a.yb);break;case 113:a.a&&xD(a.a);a.a=new HE(0,a);a.b=c;break;case 103:a.kb=!0;a.nb=!0;a.b=c;break;case 105:a.kb=!0;a.p&&a.fb&&(a.fb=!1,YB(a.Y),a.b=c);a.x=1;break;case 112:case 109:a.b=c;d=KE(a.Y);if(2==d){a.ib=!0;a.I="Copying the agent not possible !";break}d=v(XD,k,-1,4,1);YD(a.Y,d);a.kb=!0;a.Y=new ND(a.Y);d=J(~~((a.B.b-a.X)/2)-d[0]);for(c=1;c<=a.Y.s;++c)a.Y.I[c]+=2*d;qC(a.Y);a.eb[++a.sb]=a.Y;a.d=a.sb;break;case 104:0<a.Y.C?(a.kb=!0,LE(a.Y,a.Y.C),a.Y.C=0,VD(a)):0<a.Y.D&&(a.kb=!0,ME(a.Y,a.Y.D), -a.Y.D=0,VD(a));NE(a.Y);break;case 213:a.b=c;if(!a.D){var e,f,g,i;i=new sA;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new kA(c),qA(i,g),g.c=c,Fy(g.d,a);Dx(a,i);a.D=i}rA(a.D,a,a.E.a,a.E.b)}else{a.jb=!0;a.lb=!0;switch(b){case 301:a.c=3;break;case 401:a.c=4;break;case 501:a.c=5;break;case 701:a.c=9;break;case 801:a.c=10;break;case 901:a.c=11;break;case 1001:a.c=12;break;case 601:a.c=8;break;case 1101:a.c=7;break;case 1300:a.c=1;break;case 1201:a.n&&(xD(a.n),a.n=null);0==a.Y.C&&(a.n=new HE(2,a));a.c=18; -break;case 1301:a.c=19;break;case 1302:a.c=20;break;case 1303:a.c=21;break;case 1304:a.c=22}0<a.Y.C&&(a.kb=!0,a.c!=a.Y.b[a.Y.C]&&18!=a.c&&(a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,VD(a)),18==a.c&&(d=Mn((hq(),iq)._b.a.gb,Ng),OE(a.Y,a.Y.C,d),VD(a)),NE(a.Y))}XB(a);return!0} -function dq(a){var b,c,d;d=sC(a);c=j;if(a.Ab){var e,f,g;g=Ar([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)KE(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(PE(g[1][0],3)+PE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+QE(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+QE(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new RE(a,a.eb,a.sb)),c=QE(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function SE(a,b,c,d){var e;e=c;var f=d,g,i;(g=TE(b),i=0!=(b.e&2),g||i)?(a.Ab?rA((!a.v&&(a.v=TB(a,!0)),a.v),a,e,f):rA((!a.u&&(a.u=TB(a,!1)),a.u),a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=UE(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){b=0;for(e=1;13>=e;++e)if(c<e*(a.X+a.R)){b=e;break}c=0;for(e=1;e<=UB+2;++e)if(d<e*(a.X+a.R)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Gb=!0,a.ib=!0,a.I="Next ring will be added as spiro",XB(a), -!0;if(!a.xb&&107==d||!a.Ib&&201==d||!a.hb&&103==d||!a.rb&&!a.p&&105==d||!a.Ab&&109==d)return!1;e=kq(a,d)}else{if(d>a.B.a-a.X-1)return!1;a.gb=!0;c-=a.X;d-=2*a.X+a.R;if(0<a.Y.C)if(104==a.b)LE(a.Y,a.Y.C),a.Y.C=0,VD(a);else{if(106==a.b)return!0;if(108==a.b)VE(a.Y,a.Y.C,0),VD(a);else if(157==a.b)VE(a.Y,a.Y.C,1),VD(a);else if(158==a.b)VE(a.Y,a.Y.C,-1),VD(a);else if(202==a.b||203==a.b||204==a.b||201==a.b||205==a.b)a.N=1,$(a.Y,0),a.Y.E=a.Y.C,205==a.b?(a.Y.u=1,a.Y.i[1]=a.Y.s,a.Y.i[0]=a.Y.C,a.Y.D=0):VD(a); -else if(206<=a.b&&229>=a.b)a.N=2,WE(a.Y),VD(a);else if(230==a.b)a.N=3,VD(a);else if(233<=a.b&&262>a.b)XE(a.Y,!1),VD(a),a.N=3;else if(107==a.b){if(a.yb.b)return!0;OE(a.Y,a.Y.C,Mn(a.yb.e._b.a.gb,Ng));VD(a)}else if(105==a.b)YE(a.Y);else if(300<a.b){if(a.c!=a.Y.b[a.Y.C]||18==a.c)a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,18==a.c&&(d=Mn((hq(),iq)._b.a.gb,Ng),1>d.length&&(d=Lc),OE(a.Y,a.Y.C,d)),VD(a)}else e=!1}else if(0<a.Y.C&&206<=a.b&&229>=a.b)a.N=2,WE(a.Y),VD(a);else if(0<a.Y.D)if(104==a.b)ME(a.Y, -a.Y.D),a.Y.D=0,VD(a);else if(106==a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])gq(d.k,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;LE(d,c);d.a[c]=0}a.Y.D=0;VD(a)}else if(201==a.b)ZE(a.Y,a.Y.D),VD(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),VD(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,VD(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,VD(a); -else if(206<=a.b&&229>=a.b)a.N=2,WE(a.Y),VD(a);else if(107==a.b){if(!a.yb.b)return!0;d=Mn(a.yb.e._b.a.gb,Ng);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;VD(a)}else 105==a.b?(a.ib=!0,a.I="Only atoms may be marked !"):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new aE(a);a.Y=a.eb[a.sb];a.nb=!1;202<=a.b&&204>=a.b||205==a.b?($E(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,a.Y.E=1,a.N=1,$(a.Y,0),205==a.b&&(a.Y.I[2]=c+21.65,a.Y.L[2]=d-12.5,a.Y.i[0]=1,a.Y.i[1]=2,a.Y.u=1)):206<= -a.b&&229>=a.b?(a.Y.K=c,a.Y.N=d,a.N=2,WE(a.Y)):300<a.b?($E(a.Y),a.Y.b[1]=a.c,a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,18==a.c&&(d=Mn((hq(),iq)._b.a.gb,Ng),1>d.length&&(d=Lc),OE(a.Y,1,d))):230==a.b?bC(a,null):233<=a.b&&262>a.b?($E(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,XE(a.Y,!0)):bB();VD(a)}else e=!1;e&&(NE(a.Y),a.jb=!1,a.lb=!1,a.kb=!0,XB(a))}return e} -function aF(a,b,c,d){var e,f;if(a.y||!a.gb||TE(b))return!0;a.ib=!1;c-=a.X;d-=2*a.X;e=c-a.Lb;f=d-a.Mb;if(2==a.N||3==a.N||9==a.N)return!0;if(1==a.N){a:{b=a.Y;e=c;f=d;var g,i,h,l,m,o,n;b.C=0;b.I[0]=e;b.L[0]=f;g=bF(b,0);if(0<g&&205!=b.k.b)b.C=g,g!=b.E?(b.I[b.s]=b.I[g],b.L[b.s]=b.L[g]):(b.I[b.s]=b.K,b.L[b.s]=b.N);else if(205==b.k.b){b.D=0;g=b.i[b.u];l=b.i[b.u-1];i=b.I[g]-b.I[l];h=b.L[g]-b.L[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.I[l];n=f-b.L[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.u)LE(b,b.s),--b.u,b.B=!1;else if(2==b.s)0>b.L[2]-b.L[1]&&0<f-b.L[1]?b.L[2]=b.L[1]+g/2:0<b.L[2]-b.L[1]&&0>f-b.L[1]&&(b.L[2]=b.L[1]-g/2),0>b.I[2]-b.I[1]&&0<e-b.I[1]?b.I[2]=b.I[1]+0.866*g:0<b.I[2]-b.I[1]&&0>e-b.I[1]&&(b.I[2]=b.I[1]-0.866*g);else{if(2==b.y[b.i[0]]&&(m=b.F[b.i[0]][1],m==b.i[1]&&(m=b.F[b.i[0]][2]),i=b.I[b.i[0]]-b.I[m],h=b.L[b.i[0]]-b.L[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.I[m],n=f-b.L[m],e=n*i-o*h,o=b.I[b.i[1]]-b.I[m],n=b.L[b.i[1]]-b.L[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.t,b.C=b.i[0],$(b,0),ME(b,e),0<bF(b,b.s)&&(b.B=!0)}else{if(b.B)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.u;if(100<b.u){gq(b.k,"You are too focused on chains, enough of it for now !");--b.u;break a}b.C=b.s;$(b,M(L(Math.round(h))));b.i[b.u]=b.s;0<bF(b,b.s)&&(b.B=!0)}}b.C=0;e=b.u;gq(b.k,e+j)}else i=e-b.I[b.E],h=f-b.L[b.E],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.I[b.s]=b.I[b.E]+25*(i/g),b.L[b.s]=b.L[b.E]+25*(h/g)}a.q=!0}else if(UE(b)||TE(b))TD(a.Y,e),a.N= -5;else if(0==a.Y.C&&0==a.Y.D){5!=a.N&&(e=f=0);b=a.Y;for(g=1;g<=b.s;++g)b.I[g]+=e,b.L[g]+=f;h=v(XD,k,-1,4,1);YD(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.k.B.b-b.k.X&&0<h&&h<b.k.B.a-3*b.k.X))for(g=1;g<=b.s;++g)b.I[g]-=e,b.L[g]-=f;a.N=5}a.C=!1;UD(a);a.kb=!0;XB(a);a.Lb=c;a.Mb=d;return!0} -function cF(a,b,c,d){var e,f,g;if(!a.y&&!TE(b)){c-=a.X;d-=2*a.X;g=!1;f=0;b=1;a:for(;b<=a.sb;++b){e=a.eb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((GD(),LD)?350:170)+1,n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.s;++n)l=i-e.I[n],m=h-e.L[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.eb[b].C=0<e?e:0;a.eb[b].D=0>e?-e:0;f=b;g=!0;0<a.eb[b].C&&null!=a.pb&&KB(a.pb,G(TC,k,76,[new T(a.d),new T(a.Y.C)]));break a}else if(0<a.eb[b].C||0<a.eb[b].D)a.eb[b].C= -0,a.eb[b].D=0,g=!0}if(g){for(b=a.d+1;b<=a.sb;++b)a.eb[b].C=0,a.eb[b].D=0;a.C=!1;UD(a);a.kb=!0;XB(a)}0!=f&&f!=a.d&&(a.d=f,a.Y=a.eb[a.d])}} -function dF(a){if(a.y)return!0;a.ib=!1;a.O=Yg;if(1==a.N){if(205==a.b){var b=a.Y,c,d;b.B&&(c=bF(b,b.s),6>b.y[c]&&(eF(b),d=b.i[b.u-1],b.G[b.t]=c,b.H[b.t]=d,b.F[c][++b.y[c]]=d,b.F[d][++b.y[d]]=c),LE(b,b.s));b.B=!1;VD(a)}else a:{var b=a.Y,e,f;c=bF(b,b.s);if(0!=c){--b.s;for(f=1;f<b.t;++f)if(d=b.G[f],e=b.H[f],d==c&&e==b.E||d==b.E&&e==c){--b.t;--b.y[b.E];3>b.r[f]?(++b.r[f],b.A[f]=0):gq(b.k,"Maximum allowed bond order is 3 !");break a}6==b.y[c]?(--b.t,--b.y[b.E],gq(b.k,"Not possible connection !")):(b.H[b.t]= -c,b.F[c][++b.y[c]]=b.E,b.F[b.E][b.y[b.E]]=c,b.J[b.t]=M(L(UC((b.I[b.E]+b.I[c])/2))),b.M[b.t]=M(L(UC((b.L[b.E]+b.L[c])/2))))}}$D(a.Y);a.q&&(b=a.Z,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,DD(b),b.a.c=c),VD(a),a.q=!1)}else 5==a.N&&($D(a.Y),VD(a));0<a.N&&(a.C=!1,UD(a),a.kb=!0,NE(a.Y),fF(a.Y),XB(a),a.N=0,a.e=!1);if(LD&&(0!=a.Y.D||0!=a.Y.C))a.Y.D=0,a.Y.C=0,UD(a),a.kb=!0,XB(a);return!0}function UD(a){a.jb=!1;a.lb=!1;a.kb=!1} -function WB(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.zb=!1:-1<b.indexOf("rbutton")&&(a.zb=!0);-1<b.indexOf("nohydrogens")?a.Eb=!1:-1<b.indexOf("hydrogens")&&(a.Eb=!0);-1<b.indexOf("keephs")&&(a.M=!0);-1<b.indexOf("removehs")&&(a.M=!1);-1<b.indexOf("noquery")?a.xb=!1:-1<b.indexOf("query")&&(a.xb=!0);-1<b.indexOf(vf)?a.Ab=!1:-1<b.indexOf(Uf)&&(a.Ab=!0);-1<b.indexOf("noautoez")?a.o=!1:-1<b.indexOf("autoez")&&(a.o=!0);-1<b.indexOf("nostereo")?a.Ib=!1:-1<b.indexOf("stereo")&&(a.Ib=!0); 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tF(a,b,c,d){var e,f,g,i,h,l,m,o,n;h=v(I,r,-1,4,1);f=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(f*f+g*g);0.001>m&&(m=0.001);n=g/m;e=f/m;l=v(I,r,-1,4,1);for(i=0;4>i;++i)d[i]==c||0>=d[i]||(0==l[1]?l[1]=d[i]:0==l[2]?l[2]=d[i]:0==l[3]&&(l[3]=d[i]));o=v(XD,k,-1,4,1);d=v(XD,k,-1,4,1);for(i=1;3>=i;++i)3==i&&0==l[3]||(f=(a.I[l[i]]-a.I[b])*e+(a.L[l[i]]-a.L[b])*n,g=(a.L[l[i]]-a.L[b])*e-(a.I[l[i]]-a.I[b])*n,m=Math.sqrt(f*f+g*g),0.001>m&&(m=0.001),o[i]=g/m,d[i]=f/m);a=uF(o[1],d[1],o[2],d[2]);0<l[3]?(b= -uF(o[2],d[2],o[3],d[3]),d=uF(o[1],d[1],o[3],d[3]),0<a&&0<b?(h[1]=l[1],h[2]=l[2],h[3]=l[3]):0<d&&0>b?(h[1]=l[1],h[2]=l[3],h[3]=l[2]):0>a&&0<d?(h[1]=l[2],h[2]=l[1],h[3]=l[3]):0<b&&0>d?(h[1]=l[2],h[2]=l[3],h[3]=l[1]):0>d&&0<a?(h[1]=l[3],h[2]=l[1],h[3]=l[2]):0>b&&0>a&&(h[1]=l[3],h[2]=l[2],h[3]=l[1])):0<a?(h[1]=l[1],h[2]=l[2]):(h[1]=l[2],h[2]=l[1]);h[0]=c;return h} -function $(a,b){var c,d,e,f,g,i,h,l;$E(a);switch(a.y[a.C]){case 0:a.I[a.s]=a.I[a.C]+21.65*a.k.A;a.L[a.s]=a.L[a.C]+12.5*a.k.A;break;case 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e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function WE(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])yF(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,yF(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){gq(a.k,"ERROR - cannot add aromatic spiro ring 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-b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]);e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(q=-q,m=0);n=a.I[b]+o*e-q*g;q=a.L[b]+q*e+o*g;for(d=1;d<=i;++d)$E(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)$E(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)eF(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&& -(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f=1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[vF(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f], -1<a.r[vF(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2;a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(I,r,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=M(L(UC((a.I[b]+a.I[e])/2))),a.M[c]=M(L(UC((a.L[b]+a.L[e])/ -2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;eF(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=M(L(UC((a.I[a.G[a.t]]+a.I[a.H[a.t]])/ -2)));a.M[a.t]=M(L(UC((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]?(eF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=M(L(UC((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=M(L(UC((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(eF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=M(L(UC((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=M(L(UC((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0< -h[f]&&(LE(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b];for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&xF(a,i);-1<l&&(a.C=l)} -function yF(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)$E(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function xF(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=bF(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)} -function vF(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function zF(a,b,c){var d,e,f,g;e=Yg;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(zs(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)zs(c[d])&&!ns(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)ts(c[d],e)&&(b[d]=g,c[d]=Yg,++f);if(f==a.s)break}return g==a.s} -function ZD(a){var b,c,d;b=v(XD,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{YD(a,b);c=~~(c/2)-M(L(Math.round(b[0])));d=~~(d/2)-M(L(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;$D(a)}} -function YD(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function VE(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=AF(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&gq(a.k,"Charge change not possible on this boron !");0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?gq(a.k,"Charge change not possible on this carbon !"):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?gq(a.k,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break;case 5:case 8:case 13:2<d?gq(a.k,"Charge change not possible on multibonded O or S !"):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:gq(a.k,"Charge change not possible on the halogen !");break;case 18:gq(a.k, -"Use X button to change charge on the X atom !")}} -function CE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(I,r,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(I,r,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&LE(a,c);ZD(a);gq(a.k,"Smaller part(s) removed !");return 1} -function bF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function fF(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];NE(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),NE(a));4==a.r[d]&&(a.r[d]=1)}} -function uF(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 qC(a){var b;BF(a);b=a.r.length;a.J=v(I,r,-1,b,1);a.M=v(I,r,-1,b,1);$D(a);NE(a)} -function $E(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(I,r,-1,c,1),cD(a.b,b,a.b.length),a.b=b,b=v(I,r,-1,c,1),cD(a.z,b,a.z.length),a.z=b,b=v(I,r,-1,c,1),cD(a.w,b,a.w.length),a.w=b,b=v(I,r,-1,c,1),cD(a.d,b,a.d.length),a.d=b,b=v(Lr,k,1,c,0),cD(a.c,b,a.c.length),a.c=b,b=v(Lr,k,1,c,0),cD(a.n,b,a.n.length),a.n=b,b=v(XD,k,-1,c,1),cD(a.I,b,a.I.length),a.I=b,b=v(XD,k,-1,c,1),cD(a.L,b,a.L.length),a.L=b,b=Ar([c,7]),cD(a.F,b,a.F.length),a.F=b,c=v(I,r,-1,c,1),cD(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function vE(a,b,c,d,e,f){var g;g=M(L(UC(a.I[b]-c/2)));f||(g-=d-c);a=M(L(UC(a.L[b]-~~(e/2))));return new my(g-1-2,a-2,d+1+4,e+4)} -function eF(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(I,r,-1,b,1),cD(a.G,c,a.G.length),a.G=c,c=v(I,r,-1,b,1),cD(a.H,c,a.H.length),a.H=c,c=v(I,r,-1,b,1),cD(a.r,c,a.r.length),a.r=c,c=v(I,r,-1,b,1),cD(a.A,c,a.A.length),a.A=c,c=v(I,r,-1,b,1),cD(a.J,c,a.J.length),a.J=c,c=v(I,r,-1,b,1),cD(a.M,c,a.M.length),a.M=c,b=v(Lr,k,1,b,0),cD(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function QE(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(GD(),aa);i+="JME 2013-04-10 "+new qD+"\n \n";i+=PE(a.s,3)+PE(a.t,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=hF(0.055999999999999994*(a.I[e]-c),10,4)+hF(0.055999999999999994*(g-a.L[e]),10,4)+hF(0,10,4);h=uE(a,e);1==h.length?h+=" ":2==h.length?h+=ea:3<h.length&&(h="Q "); -i+=ea+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&&(d=4-a.z[e]);h=" 0"+PE(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=PE(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:CF(a,e)&&(g=2),c=PE(a.G[e],3)+PE(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=PE(a.H[e],3)+PE(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=PE(a.H[e],3)+PE(a.G[e],3)),i+=c+PE(g,3)+PE(d,3)+" 0 0 0\n"; -for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+="M CHG 1"+PE(e,4)+PE(a.z[e],4)+aa);return i+"M END\n"} -function iF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,H,A,K,O,V,ca,N,gc,zc,Nf,vb,Hd,Id,Jd,ib,Ac;o=v(I,r,-1,a.s+10,1);n=v(I,r,-1,a.s+10,1);l=v(I,r,-1,a.s+1,1);m=v(I,r,-1,7,1);vb=v(I,r,-1,a.s+1,1);w=v(DF,k,-1,a.s+1,2);H=v(DF,k,-1,a.t+1,2);gc=0;if(0==a.s)return j;CE(a,!0);Nf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Nf=!1;break}if(a.k.r&&Nf){EF(a);fF(a);FF(a,H);GF(a,w,H);var Bb,kd,Te,Xb,ne,ld,md,db,BG,Ld,t,wa,lm,mm,$r,$e,La,nm,om,Dc,pm;Bb=v(I,r,-1,a.s+1,1);kd=v(I,r,-1,a.s+1,1);db=v(HF,k,-1,a.s+1,3);var as=a.s,qm, -fh,bs,Zf,nj,ue,af;nj=v(HF,k,-1,as+2,3);ue=v(I,r,-1,100,1);af=5;Zf=0;ue[0]=3;nj[1]=$g;nj[2]=ah;bs=2;if(!(3>as))for(;af<ue[Zf]*ue[Zf];){fh=0;for(qm=!0;qm&&fh<=Zf&&af>=ue[fh]*ue[fh];)0==af%ue[fh]?qm=!1:++fh;if(qm){nj[++bs]=ws(af);if(bs>=as)break;Zf<ue.length-1&&(++Zf,ue[Zf]=af)}af+=2}for(t=1;t<=a.s;++t){for(wa=om=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(om*=a.f[wa]);nm=a.b[t];18==nm&&(pm=a.n[t],ld=pm.charCodeAt(0)-65+1,md=0,1<pm.length&&(md=pm.charCodeAt(1)-97),0>ld&&(ld=0),0>md&&(md=0),nm=28*ld+md); -$e=0;-2>a.z[t]?$e=1:-2==a.z[t]?$e=2:-1==a.z[t]?$e=3:1==a.z[t]?$e=4:2==a.z[t]?$e=5:2<a.z[t]&&($e=6);Dc=1;db[t]=ws(om);Dc*=126;db[t]=rs(db[t],ws(a.w[t]*Dc));Dc*=7;db[t]=rs(db[t],ws($e*Dc));Dc*=7;db[t]=rs(db[t],ws(nm*Dc));Dc*=783;db[t]=rs(db[t],ws(a.y[t]*Dc))}for(ne=0;!zF(a,Bb,db);){$r=!1;for(t=1;t<=a.s;++t)Bb[t]!=kd[t]&&(kd[t]=Bb[t],$r=!0);if($r){for(t=1;t<=a.s;++t){db[t]=Zg;for(wa=1;wa<=a.y[t];++wa)db[t]=As(db[t],nj[Bb[a.F[t][wa]]])}ne=0}else if(0<ne){for(t=1;t<=a.s;++t)db[t]=Zg;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Bb[t]==Bb[wa]){db[t]=$g;break a}}else{for(t=1;t<=a.s;++t){db[t]=Zg;for(wa=1;wa<=a.y[t];++wa)Te=a.F[t][wa],db[t]=As(db[t],ws(a.b[Te]*a.f[vF(a,t,Te)]))}ne=1}zF(a,Bb,db);for(t=1;t<=a.s;++t)db[t]=ws(kd[t]*a.s+Bb[t])}for(t=1;t<=a.s;++t)kd[t]=Bb[t];for(La=1;La<=a.s;++La)for(t=1;t<=a.s;++t)if(kd[t]==La){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[La];a.z[t]=a.z[La];a.I[t]=a.I[La];a.L[t]=a.L[La];a.y[t]=a.y[La];a.b[La]=a.b[0];a.z[La]=a.z[0]; -a.I[La]=a.I[0];a.L[La]=a.L[0];a.y[La]=a.y[0];kd[t]=kd[La];kd[La]=La;a.n[0]=a.n[t];a.n[t]=a.n[La];a.n[La]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[La];a.d[La]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[La];a.c[La]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[La];a.w[La]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Bb[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Bb[a.G[t]],a.H[t]=Bb[a.H[t]],a.G[t]>a.H[t]&&(Ld=a.G[t],a.G[t]=a.H[t],a.H[t]=Ld,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){mm=lm= -a.s;Xb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<lm?(lm=a.G[wa],mm=a.H[wa],Xb=wa):a.G[wa]==lm&&a.H[wa]<mm&&(mm=a.H[wa],Xb=wa);Ld=a.G[t];a.G[t]=a.G[Xb];a.G[Xb]=Ld;Ld=a.H[t];a.H[t]=a.H[Xb];a.H[Xb]=Ld;Ld=a.r[t];a.r[t]=a.r[Xb];a.r[Xb]=Ld;Ld=a.A[t];a.A[t]=a.A[Xb];a.A[Xb]=Ld;BG=a.e[t];a.e[t]=a.e[Xb];a.e[Xb]=BG}qC(a);NE(a);FF(a,H);GF(a,w,H)}else{FF(a,H);a.f=v(I,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)a.f[q]=a.r[q]}c=1;a.a=v(I,r,-1,a.s+1,1);Ac=1;a.a[1]=1;for(ca=0;;){N=0;for(q=1;q<=a.y[c];++q)if(g=a.F[c][q],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=vb[c]){zc=!0;for(K=1;K<=gc;++K)if(o[K]==c&&n[K]==g||o[K]==g&&n[K]==c){zc=!1;break}zc&&(++gc,o[gc]=c,n[gc]=g)}}else m[++N]=g;if(0==N){if(Ac==a.s)break;c=l[ca--]}else if(1==N)vb[m[1]]=c,c=m[1],a.a[c]=++Ac;else{l[++ca]=c;e=0;for(q=1;q<=N;++q)if(h=vF(a,m[q],c),!H[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=vF(a,m[q],c),2==a.f[h]||3==a.f[h]){e=m[q];break}0==e&&(e=m[1]);vb[e]=c;c=e;a.a[e]=++Ac}}vb=v(I,r,-1,a.s+1,1);b=v(I,r,-1,a.s+1,1);O=v(DF,k,-1,a.s+1,2);Hd=v(DF,k,-1,a.s+1,2);f=Ac=ca=0; -for(q=1;q<=a.s;++q)if(1==a.a[q]){c=q;break}a:for(;;){0<f&&(vb[c]=f);b[++Ac]=c;for(a.a[c]=0;;){N=e=0;V=a.s+1;q=1;b:for(;q<=a.y[c];++q){g=a.F[c][q];for(A=1;A<=gc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.a[g]&&(++N,a.a[g]<V&&(e=g,V=a.a[g]))}if(0==e){if(0==ca)break a;Hd[c]=!0;c=l[ca--]}else break}f=c;c=e;1<N&&(l[++ca]=f,O[e]=!0)}Id=v(I,r,-1,a.t+1,1);Jd=v(I,r,-1,a.s+1,1);if(a.k.Ib){var DG=vb,DK=gc,cs,EG,gh,ve,ds,es,Ka,oj,fs;gh=v(I,r,-1,a.s+1,1);for(Ka=1;Ka<=a.s;++Ka)gh[b[Ka]]=Ka;ds=v(DF, -k,-1,a.t+1,2);for(Ka=1;Ka<=a.s;++Ka)cs=b[Ka],EG=DG[cs],ve=vF(a,cs,EG),0!=ve&&(IF(a,ve,gh,Id,H),ds[ve]=!0);for(Ka=1;Ka<=a.t;++Ka)ds[Ka]||IF(a,Ka,gh,Id,H);Ka=1;a:for(;Ka<=a.s;++Ka)if(!(2>a.y[Ka]||4<a.y[Ka])){es=fs=0;for(oj=1;oj<=a.y[Ka];++oj){ve=vF(a,Ka,a.F[Ka][oj]);if(5==a.f[ve])continue a;1==a.r[ve]&&0!=JF(a,ve,Ka)&&++fs;2==a.r[ve]&&(es=a.F[Ka][oj])}if(0!=fs)if(0<es){var ga=a,GG=Ka,bf=gh,Pc=Jd,ic=void 0,pj=void 0,Ec=void 0,we=void 0,Fc=void 0,rm=void 0,sm=void 0,tm=void 0,Md=void 0,Qc=void 0,Rc=void 0, -gs=void 0,qj=void 0,Nd=void 0,rj=void 0,xe=void 0,sj=void 0,hs=void 0,tj=void 0,ye=void 0,HG=void 0,cf=void 0,IG=void 0,is=void 0,uj=void 0,df=void 0,Rc=1,pj=GG,ic=v(I,r,-1,ga.s+1,1);for(ic[1]=GG;;){gs=!1;for(Qc=1;Qc<=ga.y[pj];++Qc)if(Ec=ga.F[pj][Qc],!(Ec==ic[1]||Ec==ic[Rc-1]))if(we=vF(ga,pj,Ec),2==ga.r[we]&&5!=ga.f[we]){pj=ic[++Rc]=Ec;gs=!0;break}if(!gs)break}if(!(0==Rc%2||2>ga.y[ic[Rc]]||3<ga.y[ic[Rc]])){df=ic[1];Fc=ic[~~((Rc+1)/2)];Md=ic[Rc];cf=ye=xe=Nd=0;is=hs=!1;for(Qc=1;Qc<=ga.y[df];++Qc)Ec= -ga.F[df][Qc],we=vF(ga,df,Ec),1!=ga.r[we]||5==ga.f[we]||(0==Nd?Nd=Ec:xe=Ec);0<bf[xe]&&bf[Nd]>bf[xe]&&(rm=Nd,Nd=xe,xe=rm);qj=Nd;0==Nd&&(qj=xe,hs=!0);for(Qc=1;Qc<=ga.y[Md];++Qc)Ec=ga.F[Md][Qc],we=vF(ga,Md,Ec),1!=ga.r[we]||5==ga.f[we]||(0==ye?ye=Ec:cf=Ec);0<bf[cf]&&bf[ye]>bf[cf]&&(rm=ye,ye=cf,cf=rm);tj=ye;0==ye&&(tj=cf,is=!0);rj=JF(ga,vF(ga,df,Nd),df);sj=JF(ga,vF(ga,df,xe),df);HG=JF(ga,vF(ga,Md,ye),Md);IG=JF(ga,vF(ga,Md,cf),Md);1<(0>rj+sj?-(rj+sj):rj+sj)||0!=HG||0!=IG?gq(ga.k,"Bad stereoinfo on allene !"): -(sm=ga.I[ic[Rc-1]]-ga.I[Md],tm=ga.L[ic[Rc-1]]-ga.L[Md],uj=Math.sqrt(sm*sm+tm*tm),0.001>uj&&(uj=0.001),0<(ga.L[tj]-ga.L[ic[Rc-1]])*(sm/uj)-(ga.I[tj]-ga.I[ic[Rc-1]])*(tm/uj)?Pc[Fc]=1:Pc[Fc]=-1,hs&&(Pc[Fc]*=-1),is&&(Pc[Fc]*=-1),qj==Nd&&0>rj&&(Pc[Fc]*=-1),qj==xe&&0>sj&&(Pc[Fc]*=-1),bf[qj]>bf[tj]&&(Pc[Fc]*=-1))}}else b:{var qb=a,Xa=Ka,js=DG,JG=gh,KG=o,LG=n,EK=DK,um=Jd,vm=void 0,Sc=void 0,ks=void 0,hh=void 0,ya=void 0,ih=void 0,od=void 0,vj=void 0,Od=void 0,Mb=void 0,da=void 0,ba=void 0,ze=void 0,wm=void 0, -Tc=void 0,F=void 0,xm=void 0,ba=v(I,r,-1,4,1),wm=v(I,r,-1,4,1),wj=void 0,Uc=void 0,ym=void 0,zm=void 0,ls=void 0,xj=void 0,xj=-1;0<js[Xa]&&(ba[++xj]=js[Xa]);for(Uc=1;Uc<=EK;++Uc)KG[Uc]==Xa&&(ba[++xj]=LG[Uc]),LG[Uc]==Xa&&(ba[++xj]=KG[Uc]);for(Uc=xj+1;Uc<qb.y[Xa];++Uc){ls=qb.s+1;ym=1;c:for(;ym<=qb.y[Xa];++ym){wj=qb.F[Xa][ym];for(zm=0;zm<Uc;++zm)if(wj==ba[zm])continue c;JG[wj]<ls&&(ls=JG[wj],ba[Uc]=wj)}}0==js[Xa]&&0<qb.w[Xa]?(ba[3]=ba[2],ba[2]=ba[1],ba[1]=ba[0],ba[0]=-1):0<qb.w[Xa]&&(ba[3]=ba[2],ba[2]= -ba[1],ba[1]=-1);for(ya=vj=ih=hh=xm=od=Mb=0;4>ya;++ya)0>=ba[ya]||(vm=vF(qb,Xa,ba[ya]),wm[ya]=JF(qb,vm,Xa),0<wm[ya]?(++Mb,xm=ba[ya],ih=ba[ya]):0>wm[ya]?(++od,hh=ba[ya],ih=ba[ya]):vj=ba[ya]);Od=Mb+od;F=v(I,r,-1,4,1);Tc=0;if(3==qb.y[Xa]){if(1==Mb&&1==od||3==Od&&0<Mb&&0<od){gq(qb.k,"Error in C3H stereospecification !");break b}ze=ba[0];1==Od?ze=ih:2==Od&&(ze=vj);da=tF(qb,Xa,ze,ba);F[0]=ih;F[1]=-1;F[2]=da[2];F[3]=da[1];0<Mb?Tc=1:Tc=-1}else if(4==qb.y[Xa])if(1==Od)da=tF(qb,Xa,ih,ba),F[0]=da[0],F[1]=da[3], -F[2]=da[2],F[3]=da[1],0<Mb?Tc=1:Tc=-1;else{ze=ba[0];1<vj&&(ze=vj);1==Mb?ze=xm:1==od&&(ze=hh);da=tF(qb,Xa,ze,ba);Sc=v(I,r,-1,4,1);for(ya=0;4>ya;++ya)vm=vF(qb,Xa,da[ya]),Sc[ya]=JF(qb,vm,Xa);if(4==Od){if(0==Mb||0==od){gq(qb.k,"Error in C4 stereospecification !");break b}if(1==Mb||1==od)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],Tc=Sc[0];else{for(ya=0;4>ya;++ya)-1==Sc[ya]&&(Sc[ya]=0);Od=2}}else if(3==Od)if(3==Mb||3==od)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],0<Mb?Tc=-1:Tc=1;else{1==Mb?Mb=ks=1:od= -ks=-1;for(ya=0;4>ya;++ya)Sc[ya]==ks&&(Sc[ya]=0);Od=2}if(2==Od)if(1==Mb&&1==od)da[1]==hh?(da[1]=da[2],da[2]=da[3]):da[2]==hh&&(da[2]=da[3]),F[0]=xm,F[1]=hh,F[2]=da[2],F[3]=da[1],Tc=1;else{if(Sc[0]==Sc[1]||Sc[1]==Sc[2]){gq(qb.k,"Error in C4 stereospecification ! 2/0r");break b}0!=Sc[0]?(F[0]=da[0],F[1]=da[2],F[2]=da[1],F[3]=da[3]):(F[0]=da[1],F[1]=da[3],F[2]=da[2],F[3]=da[0]);1<Mb?Tc=1:Tc=-1}}var kb=void 0;ba[0]==F[1]?(kb=F[0],F[0]=F[1],F[1]=kb,kb=F[2],F[2]=F[3],F[3]=kb):ba[0]==F[2]?(kb=F[2],F[2]=F[0], -F[0]=kb,kb=F[1],F[1]=F[3],F[3]=kb):ba[0]==F[3]&&(kb=F[3],F[3]=F[0],F[0]=kb,kb=F[1],F[1]=F[2],F[2]=kb);ba[1]==F[2]?(kb=F[1],F[1]=F[2],F[2]=kb,kb=F[2],F[2]=F[3],F[3]=kb):ba[1]==F[3]&&(kb=F[1],F[1]=F[3],F[3]=kb,kb=F[2],F[2]=F[3],F[3]=kb);F[2]==ba[2]?um[Xa]=1:F[2]==ba[3]?um[Xa]=-1:gq(qb.k,"Error in stereoprocessing ! - t30");um[Xa]*=Tc}}}ib=new bD;i=v(I,r,-1,a.s+1,1);for(q=1;q<=a.s;++q)i[b[q]]=q;for(q=1;q<=a.s;++q){c=b[q];O[c]&&Wm(ib.a,ua);0<vb[q]&&KF(a,c,vb[c],ib,Id);var jh=w[c],Db=void 0,yj=void 0, -kh=void 0,R=void 0,R=Lc,Db=!1;0!=a.z[c]&&(Db=!0);0!=Jd[c]&&(Db=!0);kh=-1;for(yj=1;yj<=a.x;++yj)if(a.p[yj][0]==c){kh=a.p[yj][1];break}-1<kh&&(Db=!0);a.k.Hb&&0<a.d[c]&&(Db=!0,kh=1);switch(a.b[c]){case 2:R=Ab;break;case 3:jh?R="c":R=Fb;break;case 4:jh?(R=sf,0<a.w[c]&&(Db=!0)):R=cc;break;case 5:jh?R="o":R=lc;break;case 7:jh?(R="p",0<a.w[c]&&(Db=!0)):R=nc;break;case 8:jh?R=dg:R=yc;break;case 13:jh?R=gg:R=Cc;Db=!0;break;case 6:R=Gc;Db=!0;break;case 9:R=Pb;break;case 10:R=Jb;break;case 11:R=Eb;break;case 12:R= -Vb;break;case 1:R=Tb;Db=!0;break;case 19:R=oc;Db=!0;break;case 20:R=pc;Db=!0;break;case 21:R=qc;Db=!0;break;case 22:R=rc;Db=!0;break;case 18:Db=!0,R=a.n[c],(E(R,xa)||E(R,Wc)||E(R,wb))&&(Db=!1)}Db&&(R=Mc+R,1==Jd[c]?R+=ub:-1==Jd[c]&&(R+="@@"),1==a.w[c]?R+=Tb:1<a.w[c]&&(R+=Tb+a.w[c]),0!=a.z[c]&&(0<a.z[c]?R+=za:R+=Ca,1<Ej(a.z[c])&&(R+=Ej(a.z[c]))),-1<kh&&(R+=mb+kh),R+=Oc);Wm(ib.a,R);for(A=1;A<=gc;++A)if(o[A]==c||n[A]==c)d=n[A],d==c&&(d=o[A]),i[c]<i[d]&&KF(a,o[A],n[A],ib,Id),9<A&&Wm(ib.a,"%"),Xm(ib,j+ -(new T(A)).a);Hd[c]&&Wm(ib.a,va)}return Ln(ib.a)} -function LE(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)hC(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function ME(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&LE(a,c);0==a.y[d]&&LE(a,d)} -function EF(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=vF(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&LE(a,c)}}}function BF(a){var b;b=a.b.length;a.F=Ar([b,7]);a.y=v(I,r,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function GF(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(I,r,-1,a.t+1,1);o=v(DF,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[vF(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:CF(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(DF,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function $D(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=M(L(UC((a.I[b]+a.I[c])/2))),a.M[d]=M(L(UC((a.L[b]+a.L[c])/2)))}function FF(a,b){var c;for(c=1;c<=a.t;++c)wE(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function uE(a,b){var c;c=(GD(),$B)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function CF(a,b){return 2==a.r[b]?!0:!1}function wE(a,b,c){var d,e,f,g;g=1;a.a=v(I,r,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function YE(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=Ar([b+5,2]),cD(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function YB(a){var b;a.x=0;a.q=0;iF(a);for(b=1;b<=a.s;++b)a.C=b,YE(a);a.C=0} -function KE(a){var b,c;b=v(XD,k,-1,4,1);YD(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function TD(a,b){var c,d,e,f,g,i,h,l;c=v(XD,k,-1,4,1);YD(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;YD(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function gF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function OE(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Mc)&&VC(c,Oc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Tb);g=Dj(c.indexOf(za),c.indexOf(Ca));if(-1<d){i=nu(c,d+1);try{a.k.x=pB(i,10)}catch(h){if(h=yi(h),y(h,73))a.k.x=0;else throw h;}a.C=b;YE(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=E(d,Fb)?3:E(d,Ab)?2:E(d,cc)?4:E(d,lc)?5:E(d,nc)?7:E(d,yc)?8:E(d,Pb)?9:E(d,Jb)?10:E(d,Eb)?11:E(d,Vb)?12:E(d,Tb)?1:E(d,Cc)?13:E(d,Gc)?6:E(d,oc)?19:E(d,pc)?20:E(d,qc)?21:E(d,rc)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ea;d=0;0<e&&(d=1,e=DC(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=DC(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=DC(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=DC(c,g++);for(;45==e;)--d,e=DC(c,g++)}a.z[b]=d}}} -function cC(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new JB(b);try{for(;b.j=CB(b,b.a),b.j<b.i;)d=QC(pB(FB(b),10)).a,c=e=QC(pB(FB(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=yi(f),y(f,73))Um(f);else throw f;}}function KF(a,b,c,d,e){b=vF(a,b,c);5!=a.f[b]&&CF(a,b)?Wm(d.a,rb):3==a.r[b]?Wm(d.a,ma):9==a.r[b]?(e=tb,a=a.e[b],null!=a&&(e=a),Wm(d.a,e)):1==e[b]?Wm(d.a,Ya):-1==e[b]&&Wm(d.a,Nc)} -function ZE(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,gq(a.k,"Stereomarking meaningless on this bond !");else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:gq(a.k,"Stereomarking allowed only on single and double bonds!")} -function IF(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=vF(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=vF(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=vF(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=vF(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,q=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))gq(a.k,"Not unique E/Z geometry !");else{i=vF(a,b,e);f=vF(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=vF(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function AF(a,b){var c,d,e;e=0;for(d=1;d<=a.y[b];++d)if(c=vF(a,b,a.F[b][d]),1==a.r[c])e+=1;else if(CF(a,c))e+=2;else if(3==a.r[c])e+=3;else if(9==a.r[c])return-1;return e}function JF(a,b,c){var d;d=a.A[b];return 1>d||4<d?0:1==d&&a.G[b]==c?1:2==d&&a.G[b]==c?-1:3==d&&a.H[b]==c?1:4==d&&a.H[b]==c?-1:0} -function NE(a){var b;for(b=1;b<=a.s;++b){var c=a,d=b,e=void 0,e=AF(c,d);if(-1==e)c.w[d]=0;else{switch(c.b[d]){case 1:2==e?c.z[d]=1:c.z[d]=0;c.w[d]=0;break;case 2:3==e||5==e?(c.w[d]=0,c.z[d]=0):3>e?c.w[d]=3-e-c.z[d]:4==e?(c.z[d]=-1,c.w[d]=0):5<e&&(c.z[d]=e-5,c.w[d]=0);break;case 3:case 6:4>e?0<c.z[d]?c.w[d]=2-e+c.z[d]:0>c.z[d]?c.w[d]=2-e-c.z[d]:c.w[d]=4-e:(c.z[d]=e-4,c.w[d]=4-e+c.z[d]);break;case 4:case 7:3>e?c.w[d]=3-e+c.z[d]:3==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:(c.z[d]= -4==e?1:6==e?-1:e-5,c.w[d]=0);break;case 5:2==e&&(0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0);2<e&&(c.z[d]=e-2);c.w[d]=2-e+c.z[d];break;case 8:case 13:2>e?c.w[d]=2-e+c.z[d]:2==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:3==e?2==c.y[d]?(c.z[d]=0,c.w[d]=1):(c.z[d]=1,c.w[d]=0):4==e?(c.z[d]=0,c.w[d]=0):5==e?(c.z[d]=0,c.w[d]=1):(c.z[d]=e-6,c.w[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.z[d]=e-1);c.w[d]=1-e+c.z[d];2<e&&(c.z[d]=0,c.w[d]=0);break;case 19:case 18:c.w[d]= -0}0>c.w[d]&&(c.w[d]=0)}}}function aE(a){sF(this);this.k=a;this.x=this.t=this.s=0} -function 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HB(f);FB(g);FB(g);i=QC(pB(FB(g),10)).a; -for(e=1;e<=i;++e)c=QC(pB(FB(g),10)).a,this.z[c]=QC(pB(FB(g),10)).a}if(0==f.indexOf("M APO")){g=new HB(f);FB(g);FB(g);i=QC(pB(FB(g),10)).a;for(e=1;e<=i;++e)c=QC(pB(FB(g),10)).a,f=QC(pB(FB(g),10)).a,this.C=c,$(this,0),OE(this,this.s,oc+f),this.C=0}}EF(this);qC(this)}} -function pC(a,b){var c,d,e,f,g;aE.call(this,a);0==b.indexOf(ha)&&(b=b.substr(1,b.length-1));VC(b,ha)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.s=0;else{try{f=new HB(b);d=QC(pB(FB(f),10)).a;e=QC(pB(FB(f),10)).a;for(c=1;c<=d;++c)g=FB(f),$E(this),OE(this,this.s,g),this.I[c]=(new PC(MC(FB(f)))).a,this.L[c]=-(new PC(MC(FB(f)))).a;for(c=1;c<=e;++c)if(eF(this),this.G[c]=QC(pB(FB(f),10)).a,this.H[c]=QC(pB(FB(f),10)).a,this.r[c]=QC(pB(FB(f),10)).a,-1==this.r[c])this.r[c]=1,this.A[c]=1;else if(-2==this.r[c])this.r[c]= -1,this.A[c]=2;else if(-5==this.r[c])this.r[c]=2,this.A[c]=10;else 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113:Y(b,Ez);c=a.X-8;e=g+~~((a.X-c)/2);d=f+~~((a.X-c)/2);fA(b,e,d,c,c);Y(b,yz);qE(a, -b,g,f,tz,"i");break;case 201:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2)+2);Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2)-2);Z(b,g+a.X-c,f+~~(a.X/2)+2,g+a.X-c,f+~~(a.X/2)-2);break;case 202:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));break;case 203:Z(b,g+c,f+~~(a.X/2)-2,g+a.X-c,f+~~(a.X/2)-2);Z(b,g+c,f+~~(a.X/2)+2,g+a.X-c,f+~~(a.X/2)+2);break;case 204:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));Z(b,g+c,f+~~(a.X/2)-3,g+a.X-c,f+~~(a.X/2)-3);Z(b,g+c,f+~~(a.X/2)+3,g+a.X-c,f+~~(a.X/2)+3);break;case 205:Z(b,g+~~(c/2),f+ -2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Z(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Z(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:rE(a,b,g,f+2,3);break;case 207:rE(a,b,g,f,4);break;case 208:rE(a,b,g,f,5);break;case 209:rE(a,b,g,f,1);break;case 210:rE(a,b,g,f,6);break;case 211:rE(a,b,g,f,7);break;case 212:rE(a,b,g,f,8);break;case 213:pE(a,b,g,f,"FG"),a.E=new uA(g,f)}else 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b,c,d,e;if(a.kb){e=a.bb.a;c=a.B.b-a.X;b=a.B.a-3*a.X-a.R;Y(e,a.s);fA(e,0,0,c,b);d=a.cb?(CA(),FA):(CA(),HA);if((CA(),DA)==(CA(),DA))d==FA?e.a=pb:e.a=ob;d=new Ry(a.db);(e.n=d)&&d&&(e.b=' strokeweight="'+d.e+'px" ');for(d=1;d<=a.sb;++d){var f=a.eb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,r=void 0,w=void 0,H=w=o=m=void 0,B=n=void 0,N=m=r=o=i=void 0,O=m=i=void 0,V=h=o=h=void 0,ca=w=B=void 0,M=ca=r=n=l=B=m=r=H=N=n=void 0,M=h=n=o=o=N=M=V=i=O=O=H=V=n=n=O=V=void 0,w= -B=1,l=2,ca=3;f.v&&(fE(f),cE(f.k,1,f.k.sb,0),f.v=!1);1!=f.k.A&&(l*=f.k.A,ca*=f.k.A,i=1,0.7>f.k.A&&(i=1.2),i=J(13*f.k.A*i),f.k.j=new Tz(Ub,0,i),f.k.k=new JA((up(),f.k.j)));f.k.z&&(Y(g,(sz(),yz)),jE(g,0,0,f.k.B.b-1,f.k.B.a-1));if(0!=f.s){if(-1==f.j){m=L(K(Math.round(12*l)));for(i=1;i<=f.s;++i)0<f.d[i]&&7>f.d[i]&&(Y(g,(ND(),RD)[f.d[i]]),h=g,o=J(f.I[i]-m/2),O=J(f.L[i]-m/2),V=M=m,kE(h,!0),lE(h,mE(h,o,O,M,V)));for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],0!=f.d[h]&&f.d[h]==f.d[m]&&(Y(g,(ND(),RD)[f.d[h]]),n=f.I[m]- -f.I[h],B=f.L[m]-f.L[h],w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w,r=3*ca*B,n=3*ca*w,O=v(I,q,-1,4,1),o=v(I,q,-1,4,1),O[0]=J(f.I[h]+r),o[0]=J(f.L[h]-n),O[1]=J(f.I[m]+r),o[1]=J(f.L[m]-n),O[2]=J(f.I[m]-r),o[2]=J(f.L[m]+n),O[3]=J(f.I[h]-r),o[3]=J(f.L[h]+n),m=g,h=O,kE(m,!0),lE(m,yE(m,h,o,4,!0)))}for(i=1;i<=f.t;++i){Y(g,(sz(),yz));h=f.G[i];m=f.H[i];1==f.j&&0!=f.d[h]&&f.d[h]==f.d[m]&&Y(g,(ND(),RD)[f.d[h]]);if(3==f.A[i]||4==f.A[i])o=h,h=m,m=o;V=f.I[h];M=f.L[h];O=f.I[m];o=f.L[m];if(1!=f.r[i]||0!=f.A[i])n=O- -V,B=o-M,w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w;switch(f.r[i]){case 2:10<=f.A[i]&&Y(g,Cz);r=l*B;n=l*w;Z(g,L(K(Math.round(V+r))),L(K(Math.round(M-n))),L(K(Math.round(O+r))),L(K(Math.round(o-n))));Z(g,L(K(Math.round(V-r))),L(K(Math.round(M+n))),L(K(Math.round(O-r))),L(K(Math.round(o+n))));Y(g,yz);break;case 3:m=L(K(Math.round(V)));h=L(K(Math.round(M)));O=L(K(Math.round(O)));o=L(K(Math.round(o)));Z(g,m,h,O,o);V=L(K(Math.round(ca*B)));M=L(K(Math.round(ca*w)));Z(g,m+V,h-M,O+V,o-M);Z(g,m-V,h+M,O-V,o+ -M);break;case 9:case 0:for(h=0;10>h;++h)H=V-(V-O)/10*h,N=M-(M-o)/10*h,Z(g,L(K(Math.round(H))),L(K(Math.round(N))),L(K(Math.round(H))),L(K(Math.round(N))));tE(g,f.k.j);m=zE(f.k.k);n=f.e[i];h=tb;null!=n&&(h=n);n=KA(f.k.k,h);V=L(K(Math.round((V+O)/2-n/2)));n=L(K(Math.round((M+o)/2+~~(m/2)-1)));Y(g,Cz);uE(g,h,V,n);Y(g,yz);break;default:if(1==f.A[i]||3==f.A[i])r=ca*B,n=ca*w,N=v(I,q,-1,3,1),H=v(I,q,-1,3,1),N[0]=L(K(Math.round(O+r))),H[0]=L(K(Math.round(o-n))),N[1]=L(K(Math.round(V))),H[1]=L(K(Math.round(M))), -N[2]=L(K(Math.round(O-r))),H[2]=L(K(Math.round(o+n))),m=g,h=N,o=H,kE(m,!0),lE(m,yE(m,h,o,3,!0));else if(2==f.A[i]||4==f.A[i]){r=ca*B;n=ca*w;for(h=0;10>h;++h)H=V-(V-O)/10*h,N=M-(M-o)/10*h,m=h/10,Z(g,L(K(Math.round(H+r*m))),L(K(Math.round(N-n*m))),L(K(Math.round(H-r*m))),L(K(Math.round(N+n*m))))}else Z(g,L(K(Math.round(V))),L(K(Math.round(M))),L(K(Math.round(O))),L(K(Math.round(o))))}}w=v(dE,k,-1,f.s+1,1);B=v(I,q,-1,f.s+1,1);for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],l=f.I[h],o=f.I[m],++B[h],++B[m],w[h]= -w[h]/B[h]+o/B[h],w[m]=w[m]/B[m]+l/B[m];tE(g,f.k.j);m=zE(f.k.k);M=v(js,k,1,f.s+1,0);O=v(I,q,-1,f.s+1,1);o=v(I,q,-1,f.s+1,1);l=v(AE,k,52,f.s+1,0);for(i=1;i<=f.s;++i)h=BE(f,i),(null==h||1>h.length)&&(h=ta),3==f.b[i]&&0<f.y[i]&&0==f.z[i]?(M[i]=h,O[i]=o[i]=KA(f.k.k,h),l[i]=CE(f,i,O[i],O[i],m,!1)):(V=w[i]<f.I[i],H=!0,1<B[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/3&&(H=!1),2<B[i]&&(H=!1),1==B[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/10&&(V=!0),n=h,N=j,f.k.Eb&&0<f.w[i]&&(N+= -Tb,1<f.w[i]&&(N+=f.w[i])),r=j,0!=f.z[i]&&(1<Lj(f.z[i])&&(r+=Lj(f.z[i])),0<f.z[i]?r+=ua:r+=za),V||!H?h=h+N+r+j:h=r+N+j+h,H||(n=h),M[i]=h,n=KA(f.k.k,n),r=KA(f.k.k,h),O[i]=n,o[i]=r,r=l[i]=CE(f,i,n,r,m,V),V=r.c+2+1,n=r.d+m+2,Y(g,f.k.s),-1==f.j&&0!=f.d[i]&&Y(g,(ND(),RD)[f.d[i]]),fA(g,r.c,r.d,r.b,r.a),1==f.j?0!=f.d[i]?Y(g,(ND(),RD)[f.d[i]]):Y(g,(sz(),yz)):Y(g,(ND(),fC)[f.b[i]]),uE(g,h,V,n));for(h=1;h<=f.x;++h)i=f.p[h][0],n=O[i],r=o[i],V=L(K(aD(f.I[i]-n/2))),n=L(K(aD(f.L[i]+~~(m/2)-1))),Y(g,(sz(),Cz)),uE(g, -ea+f.p[h][1],V+r,n);if(0<f.C||0<f.D)if(Y(g,104==f.k.b?(sz(),zz):(sz(),Ez)),0<f.C&&106!=f.k.b&&(r=l[f.C],jE(g,r.c,r.d,r.b,r.a)),0<f.D&&(h=f.G[f.D],m=f.H[f.D],n=f.I[m]-f.I[h],B=f.L[m]-f.L[h],w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w,r=(ca+1)*B,n=(ca+1)*w,N=v(I,q,-1,5,1),H=v(I,q,-1,5,1),N[0]=L(K(aD(f.I[h]+r))),N[1]=L(K(aD(f.I[m]+r))),H[0]=L(K(aD(f.L[h]-n))),H[1]=L(K(aD(f.L[m]-n))),N[3]=L(K(aD(f.I[h]-r))),N[2]=L(K(aD(f.I[m]-r))),H[3]=L(K(aD(f.L[h]+n))),H[2]=L(K(aD(f.L[m]+n))),N[4]=N[0],H[4]=H[0],106!= -f.k.b&&(ca=g,i=N,B=H,ca.n&&(kE(ca,!1),lE(ca,yE(ca,i,B,5,!0)))),106==f.k.b&&DE(f,f.G[f.D],f.H[f.D]))){ca=0;for(i=1;i<=f.s;++i)0<f.a[i]&&++ca;if(ca>~~(f.s/2))for(i=1;i<=f.s;++i)0<f.a[i]?f.a[i]=0:f.a[i]=1;Y(g,(sz(),zz));for(i=1;i<=f.s;++i)0<f.a[i]&&(r=l[i],jE(g,r.c,r.d,r.b,r.a))}}}a.y||(a.mb?(Y(e,(sz(),xz)),Z(e,c-1,0,c-1,b-1)):(Y(e,Gz(nC)),Z(e,c-1,0,c-1,b-1),Y(e,nC),Z(e,c-2,0,c-2,b-1),Y(e,PD),Z(e,c-3,0,c-3,b-1)));a.Ab&&(d=~~((c-48)/2),Y(e,(sz(),Cz)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.y&&(a.S=new Tz(Ub,0,13),a.V=new JA(a.S),null!=a.ab&&(d=KA(a.V,a.ab),c=L(K(Math.round((c-d)/2))),b-=13,Y(e,(sz(),yz)),tE(e,a.S),uE(e,a.ab,c,b)));vE(a.Nb,a.bb,a.X,2*a.X+a.R)}} -function rE(a,b,c,d,e){var f,g,i,h,l;f=~~(a.X/4);g=!1;h=v(I,q,-1,9,1);l=v(I,q,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+a*Math.sin(i)),l[f]=J(d+a*Math.cos(i));f=e+1;b.n&&(kE(b,!1),lE(b,yE(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+(a-3)*Math.sin(i)),l[f]=J(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function EE(a){var b,c,d;if(a.lb){d=a.Kb.a;b=a.B.b;c=2*a.X+a.R;Y(d,nC);fA(d,0,0,b,c);a.mb?(Y(d,(sz(),xz)),c=13*(a.X+a.R),jE(d,c,0,b-c-1,2*a.X+a.R-1)):(Y(d,Gz(nC)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,PD),Z(d,0,0,b-1,0));c=a.b;233<=a.b&&262>=a.b&&(a.b=213);for(b=1;13>=b;++b)iE(a,d,b,1),iE(a,d,b,2);a.b=c;vE(a.Nb,a.Kb,0,0)}} -function oE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);nE(a,b,c+m-i,f,d-4-i-1,e,h)} -function FE(a,b){var c,d,e,f,g,i,h;sC(a);if(0==b.indexOf("$RXN")){a.Ab=!0;a.hb=!0;g=GE(b);h=new PB(b,g,!0);d=j;for(c=1;5>=c;++c)d=HE(h,g);c=XC(wB(On(d.substr(0,3)),10)).a;f=XC(wB(On(d.substr(3,3)),10)).a;HE(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=HE(h,g),null==i||E(i,"$MOL"));)e+=i+g;a.eb[++a.sb]=new IE(a,e)}cE(a,1,c,1);cE(a,c+1,c+f,3)}else{a.Ab=!1;a.Y=new IE(a,b);if(!a.Y||0==a.Y.s)return a.ib=!0,a.I="ERROR - problems in reading/processing MOL input",dC(a),!1;null!=a.f&&a.Y&&jC(a.Y,a.f,!0);null!=a.i&& -a.Y&&jC(a.Y,a.i,!1);g=JE(a.Y,!1);if(1==g)a.eb[++a.sb]=a.Y;else{a.hb=!0;for(d=1;d<=g;++d)a.eb[++a.sb]=new KE(a,a.Y,d)}a.d=1;a.Y=a.eb[a.d];cE(a,1,g,0)}dC(a);return!0} -function LE(a,b){var c,d,e,f,g,i,h,l;sC(a);c=f=0;l=new PB(b,"|>",!0);e=-1<b.indexOf(sb);i=1;g=IB(l);a.sb=0;for(d=1;d<=g;++d)if(h=MB(l),On(h),!E(h,bh))if(E(h,sb))++i,2==i?f=a.sb:3==i&&(c=a.sb+1);else{a.Y=new wC(a,h);if(0==a.Y.s)return yC(a,"ERROR - problems in reading/processing molecule !"),iB(),!1;++a.sb;a.d=a.sb;a.eb[a.sb]=a.Y}if(2==i)return yC(a,"ERROR - strange reaction - fixing !"),iB(),!1;if(3<i)return yC(a,"ERROR - strange reaction !"),iB(),!1;1<a.sb&&!e&&cC(a,pf);e&&!a.Ab&&cC(a,$f);!e&&a.Ab&& -cC(a,tf);e?(cE(a,1,f,1),cE(a,f+1,c-1,2),cE(a,c,a.sb,3)):cE(a,1,a.sb,0);dC(a);return!0}function rq(a,b){a.ib=!0;a.I=b} -function vq(a,b){var c,d;if(0==b)return!1;aE(a);c=a.b;a.b=b;if(300>=b)switch(a.lb=!0,a.jb=!0,b){case 102:oC(a);d=a.Z;d.a=d.b;d.b.c=null;ME(a.Cb);break;case 110:a.kb=!0;a.b=c;a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b?a.e&&(++a.sb,a.d=a.sb,a.e=!1):(a.ib=!0,a.I="No more undo");if(!(a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b))break;NE(a,KD(a.Z));a.kb=!0;break;case 111:a.b=c;if(a.Z.a.c)a.e&&(++a.sb,a.d=a.sb,a.e=!1);else{a.ib=!0;a.I="No more redo";break}if(!a.Z.a.c)break;d=a.Z;if(!d.a.c)throw new zu("Cannot redo. Index is out of range."); -if(!d.a.c)throw new zu(Yb);d.a=d.a.c;NE(a,d.a.a);a.kb=!0;break;case 152:a.b=c;d=a.Cb;d.a<d.c-1?(++d.a,d=ut(d,d.a)):d=null;null==d?(a.ib=!0,a.I=fc):(rq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=cD(d),kC(a,d,!1),null!=a.qb&&RB(a.qb,null));break;case 151:a.b=c;d=a.Cb;0<d.a?(--d.a,d=ut(d,d.a)):d=null;null==d?(a.ib=!0,a.I=fc):(rq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=cD(d),kC(a,d,!1),null!=a.qb&&RB(a.qb,null));break;case 101:a.Fb&&ED(a.Fb);a.Fb=new OE(1,a);a.b=c;break;case 107:!a.yb?a.yb=new PE(a):a.yb._b.c.$?QE(a.yb._b.c): -lC(a.yb);break;case 113:a.a&&ED(a.a);a.a=new OE(0,a);a.b=c;break;case 103:a.kb=!0;a.nb=!0;a.b=c;break;case 105:a.kb=!0;a.p&&a.fb&&(a.fb=!1,eC(a.Y),a.b=c);a.x=1;break;case 112:case 109:a.b=c;d=RE(a.Y);if(2==d){a.ib=!0;a.I="Copying the agent not possible !";break}d=v(dE,k,-1,4,1);eE(a.Y,d);a.kb=!0;a.Y=new UD(a.Y);d=J(~~((a.B.b-a.X)/2)-d[0]);for(c=1;c<=a.Y.s;++c)a.Y.I[c]+=2*d;xC(a.Y);a.eb[++a.sb]=a.Y;a.d=a.sb;break;case 104:0<a.Y.C?(a.kb=!0,SE(a.Y,a.Y.C),a.Y.C=0,bE(a)):0<a.Y.D&&(a.kb=!0,TE(a.Y,a.Y.D), -a.Y.D=0,bE(a));UE(a.Y);break;case 213:a.b=c;if(!a.D){var e,f,g,i;i=new zA;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new rA(c),xA(i,g),g.c=c,My(g.d,a);Kx(a,i);a.D=i}yA(a.D,a,a.E.a,a.E.b)}else{a.jb=!0;a.lb=!0;switch(b){case 301:a.c=3;break;case 401:a.c=4;break;case 501:a.c=5;break;case 701:a.c=9;break;case 801:a.c=10;break;case 901:a.c=11;break;case 1001:a.c=12;break;case 601:a.c=8;break;case 1101:a.c=7;break;case 1300:a.c=1;break;case 1201:a.n&&(ED(a.n),a.n=null);0==a.Y.C&&(a.n=new OE(2,a));a.c=18; -break;case 1301:a.c=19;break;case 1302:a.c=20;break;case 1303:a.c=21;break;case 1304:a.c=22}0<a.Y.C&&(a.kb=!0,a.c!=a.Y.b[a.Y.C]&&18!=a.c&&(a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,bE(a)),18==a.c&&(d=Tn((sq(),tq)._b.a.gb,Sg),VE(a.Y,a.Y.C,d),bE(a)),UE(a.Y))}dC(a);return!0} -function oq(a){var b,c,d;d=zC(a);c=j;if(a.Ab){var e,f,g;g=Mr([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)RE(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(WE(g[1][0],3)+WE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ka+XE(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ka+XE(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new YE(a,a.eb,a.sb)),c=XE(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function ZE(a,b,c,d){var e;e=c;var f=d,g,i;(g=$E(b),i=0!=(b.e&2),g||i)?(a.Ab?yA((!a.v&&(a.v=$B(a,!0)),a.v),a,e,f):yA((!a.u&&(a.u=$B(a,!1)),a.u),a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=aF(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){b=0;for(e=1;13>=e;++e)if(c<e*(a.X+a.R)){b=e;break}c=0;for(e=1;e<=aC+2;++e)if(d<e*(a.X+a.R)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Gb=!0,a.ib=!0,a.I="Next ring will be added as spiro",dC(a), -!0;if(!a.xb&&107==d||!a.Ib&&201==d||!a.hb&&103==d||!a.rb&&!a.p&&105==d||!a.Ab&&109==d)return!1;e=vq(a,d)}else{if(d>a.B.a-a.X-1)return!1;a.gb=!0;c-=a.X;d-=2*a.X+a.R;if(0<a.Y.C)if(104==a.b)SE(a.Y,a.Y.C),a.Y.C=0,bE(a);else{if(106==a.b)return!0;if(108==a.b)bF(a.Y,a.Y.C,0),bE(a);else if(157==a.b)bF(a.Y,a.Y.C,1),bE(a);else if(158==a.b)bF(a.Y,a.Y.C,-1),bE(a);else if(202==a.b||203==a.b||204==a.b||201==a.b||205==a.b)a.N=1,$(a.Y,0),a.Y.E=a.Y.C,205==a.b?(a.Y.u=1,a.Y.i[1]=a.Y.s,a.Y.i[0]=a.Y.C,a.Y.D=0):bE(a); -else if(206<=a.b&&229>=a.b)a.N=2,cF(a.Y),bE(a);else if(230==a.b)a.N=3,bE(a);else if(233<=a.b&&262>a.b)dF(a.Y,!1),bE(a),a.N=3;else if(107==a.b){if(a.yb.b)return!0;VE(a.Y,a.Y.C,Tn(a.yb.e._b.a.gb,Sg));bE(a)}else if(105==a.b)eF(a.Y);else if(300<a.b){if(a.c!=a.Y.b[a.Y.C]||18==a.c)a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,18==a.c&&(d=Tn((sq(),tq)._b.a.gb,Sg),1>d.length&&(d=Nc),VE(a.Y,a.Y.C,d)),bE(a)}else e=!1}else if(0<a.Y.C&&206<=a.b&&229>=a.b)a.N=2,cF(a.Y),bE(a);else if(0<a.Y.D)if(104==a.b)TE(a.Y, -a.Y.D),a.Y.D=0,bE(a);else if(106==a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])rq(d.k,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;SE(d,c);d.a[c]=0}a.Y.D=0;bE(a)}else if(201==a.b)fF(a.Y,a.Y.D),bE(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),bE(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,bE(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,bE(a); -else if(206<=a.b&&229>=a.b)a.N=2,cF(a.Y),bE(a);else if(107==a.b){if(!a.yb.b)return!0;d=Tn(a.yb.e._b.a.gb,Sg);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;bE(a)}else 105==a.b?(a.ib=!0,a.I="Only atoms may be marked !"):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new hE(a);a.Y=a.eb[a.sb];a.nb=!1;202<=a.b&&204>=a.b||205==a.b?(gF(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,a.Y.E=1,a.N=1,$(a.Y,0),205==a.b&&(a.Y.I[2]=c+21.65,a.Y.L[2]=d-12.5,a.Y.i[0]=1,a.Y.i[1]=2,a.Y.u=1)):206<= -a.b&&229>=a.b?(a.Y.K=c,a.Y.N=d,a.N=2,cF(a.Y)):300<a.b?(gF(a.Y),a.Y.b[1]=a.c,a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,18==a.c&&(d=Tn((sq(),tq)._b.a.gb,Sg),1>d.length&&(d=Nc),VE(a.Y,1,d))):230==a.b?iC(a,null):233<=a.b&&262>a.b?(gF(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,dF(a.Y,!0)):iB();bE(a)}else e=!1;e&&(UE(a.Y),a.jb=!1,a.lb=!1,a.kb=!0,dC(a))}return e} -function hF(a,b,c,d){var e,f;if(a.y||!a.gb||$E(b))return!0;a.ib=!1;c-=a.X;d-=2*a.X;e=c-a.Lb;f=d-a.Mb;if(2==a.N||3==a.N||9==a.N)return!0;if(1==a.N){a:{b=a.Y;e=c;f=d;var g,i,h,l,m,o,n;b.C=0;b.I[0]=e;b.L[0]=f;g=iF(b,0);if(0<g&&205!=b.k.b)b.C=g,g!=b.E?(b.I[b.s]=b.I[g],b.L[b.s]=b.L[g]):(b.I[b.s]=b.K,b.L[b.s]=b.N);else if(205==b.k.b){b.D=0;g=b.i[b.u];l=b.i[b.u-1];i=b.I[g]-b.I[l];h=b.L[g]-b.L[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.I[l];n=f-b.L[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.u)SE(b,b.s),--b.u,b.B=!1;else if(2==b.s)0>b.L[2]-b.L[1]&&0<f-b.L[1]?b.L[2]=b.L[1]+g/2:0<b.L[2]-b.L[1]&&0>f-b.L[1]&&(b.L[2]=b.L[1]-g/2),0>b.I[2]-b.I[1]&&0<e-b.I[1]?b.I[2]=b.I[1]+0.866*g:0<b.I[2]-b.I[1]&&0>e-b.I[1]&&(b.I[2]=b.I[1]-0.866*g);else{if(2==b.y[b.i[0]]&&(m=b.F[b.i[0]][1],m==b.i[1]&&(m=b.F[b.i[0]][2]),i=b.I[b.i[0]]-b.I[m],h=b.L[b.i[0]]-b.L[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.I[m],n=f-b.L[m],e=n*i-o*h,o=b.I[b.i[1]]-b.I[m],n=b.L[b.i[1]]-b.L[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.t,b.C=b.i[0],$(b,0),TE(b,e),0<iF(b,b.s)&&(b.B=!0)}else{if(b.B)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.u;if(100<b.u){rq(b.k,"You are too focused on chains, enough of it for now !");--b.u;break a}b.C=b.s;$(b,L(K(Math.round(h))));b.i[b.u]=b.s;0<iF(b,b.s)&&(b.B=!0)}}b.C=0;e=b.u;rq(b.k,e+j)}else i=e-b.I[b.E],h=f-b.L[b.E],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.I[b.s]=b.I[b.E]+25*(i/g),b.L[b.s]=b.L[b.E]+25*(h/g)}a.q=!0}else if(aF(b)||$E(b))$D(a.Y,e),a.N= -5;else if(0==a.Y.C&&0==a.Y.D){5!=a.N&&(e=f=0);b=a.Y;for(g=1;g<=b.s;++g)b.I[g]+=e,b.L[g]+=f;h=v(dE,k,-1,4,1);eE(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.k.B.b-b.k.X&&0<h&&h<b.k.B.a-3*b.k.X))for(g=1;g<=b.s;++g)b.I[g]-=e,b.L[g]-=f;a.N=5}a.C=!1;aE(a);a.kb=!0;dC(a);a.Lb=c;a.Mb=d;return!0} -function jF(a,b,c,d){var e,f,g;if(!a.y&&!$E(b)){c-=a.X;d-=2*a.X;g=!1;f=0;b=1;a:for(;b<=a.sb;++b){e=a.eb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,r=void 0,l=void 0,o=0,r=((ND(),SD)?350:170)+1,n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<r&&(r=l,o=n);o*=-1;for(n=1;n<=e.s;++n)l=i-e.I[n],m=h-e.L[n],l=l*l+m*m,l<r&&(r=l,o=n);e=o;if(0!=e){a.eb[b].C=0<e?e:0;a.eb[b].D=0>e?-e:0;f=b;g=!0;0<a.eb[b].C&&null!=a.pb&&RB(a.pb,F($C,k,76,[new T(a.d),new T(a.Y.C)]));break a}else if(0<a.eb[b].C||0<a.eb[b].D)a.eb[b].C= -0,a.eb[b].D=0,g=!0}if(g){for(b=a.d+1;b<=a.sb;++b)a.eb[b].C=0,a.eb[b].D=0;a.C=!1;aE(a);a.kb=!0;dC(a)}0!=f&&f!=a.d&&(a.d=f,a.Y=a.eb[a.d])}} -function kF(a){if(a.y)return!0;a.ib=!1;a.O=dh;if(1==a.N){if(205==a.b){var b=a.Y,c,d;b.B&&(c=iF(b,b.s),6>b.y[c]&&(lF(b),d=b.i[b.u-1],b.G[b.t]=c,b.H[b.t]=d,b.F[c][++b.y[c]]=d,b.F[d][++b.y[d]]=c),SE(b,b.s));b.B=!1;bE(a)}else a:{var b=a.Y,e,f;c=iF(b,b.s);if(0!=c){--b.s;for(f=1;f<b.t;++f)if(d=b.G[f],e=b.H[f],d==c&&e==b.E||d==b.E&&e==c){--b.t;--b.y[b.E];3>b.r[f]?(++b.r[f],b.A[f]=0):rq(b.k,"Maximum allowed bond order is 3 !");break a}6==b.y[c]?(--b.t,--b.y[b.E],rq(b.k,"Not possible connection !")):(b.H[b.t]= -c,b.F[c][++b.y[c]]=b.E,b.F[b.E][b.y[b.E]]=c,b.J[b.t]=L(K(aD((b.I[b.E]+b.I[c])/2))),b.M[b.t]=L(K(aD((b.L[b.E]+b.L[c])/2))))}}gE(a.Y);a.q&&(b=a.Z,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,KD(b),b.a.c=c),bE(a),a.q=!1)}else 5==a.N&&(gE(a.Y),bE(a));0<a.N&&(a.C=!1,aE(a),a.kb=!0,UE(a.Y),mF(a.Y),dC(a),a.N=0,a.e=!1);if(SD&&(0!=a.Y.D||0!=a.Y.C))a.Y.D=0,a.Y.C=0,aE(a),a.kb=!0,dC(a);return!0}function aE(a){a.jb=!1;a.lb=!1;a.kb=!1} -function cC(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.zb=!1:-1<b.indexOf("rbutton")&&(a.zb=!0);-1<b.indexOf("nohydrogens")?a.Eb=!1:-1<b.indexOf("hydrogens")&&(a.Eb=!0);-1<b.indexOf("keephs")&&(a.M=!0);-1<b.indexOf("removehs")&&(a.M=!1);-1<b.indexOf("noquery")?a.xb=!1:-1<b.indexOf("query")&&(a.xb=!0);-1<b.indexOf(tf)?a.Ab=!1:-1<b.indexOf($f)&&(a.Ab=!0);-1<b.indexOf("noautoez")?a.o=!1:-1<b.indexOf("autoez")&&(a.o=!0);-1<b.indexOf("nostereo")?a.Ib=!1:-1<b.indexOf("stereo")&&(a.Ib=!0); 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if(234==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,a.k.vb&&bF(a,a.C,1),$(a,0),a.b[a.s]=5,a.r[a.t]=2,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.k.vb?(a.r[a.t]=1,bF(a,a.s,-1)):a.r[a.t]=2,c=3;else if(235==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(240==a.k.b)$(a,0),a.C= -a.s,$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s-2,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=4;else if(260==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=4,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(261==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(241==a.k.b)$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=4;else if(243==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),c=3;else if(238==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.r[a.t]= -3,a.o=!1,c=2;else if(249==a.k.b)$(a,0),a.C=a.s,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=2;else if(250==a.k.b)$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=1;else 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e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function cF(a){var b,c,d,e,f,g,i,h,l,m,o,n,r;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])FF(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,FF(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){rq(a.k,"ERROR - cannot add aromatic spiro ring 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-b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]);e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;r=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(r=-r,m=0);n=a.I[b]+o*e-r*g;r=a.L[b]+r*e+o*g;for(d=1;d<=i;++d)gF(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=r+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)gF(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)lF(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&& -(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f=1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[CF(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f], -1<a.r[CF(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2;a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(I,q,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=L(K(aD((a.I[b]+a.I[e])/2))),a.M[c]=L(K(aD((a.L[b]+a.L[e])/ -2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;lF(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=L(K(aD((a.I[a.G[a.t]]+a.I[a.H[a.t]])/ -2)));a.M[a.t]=L(K(aD((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]?(lF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=L(K(aD((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K(aD((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(lF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=L(K(aD((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K(aD((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0< -h[f]&&(SE(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b];for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&EF(a,i);-1<l&&(a.C=l)} -function FF(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)gF(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function EF(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=iF(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)} -function CF(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function GF(a,b,c){var d,e,f,g;e=dh;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(Ls(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)Ls(c[d])&&!zs(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)Fs(c[d],e)&&(b[d]=g,c[d]=dh,++f);if(f==a.s)break}return g==a.s} -function fE(a){var b,c,d;b=v(dE,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{eE(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;gE(a)}} -function eE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function bF(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=HF(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&rq(a.k,"Charge change not possible on this boron !");0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?rq(a.k,"Charge change not possible on this carbon !"):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?rq(a.k,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break;case 5:case 8:case 13:2<d?rq(a.k,"Charge change not possible on multibonded O or S !"):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:rq(a.k,"Charge change not possible on the halogen !");break;case 18:rq(a.k, -"Use X button to change charge on the X atom !")}} -function JE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(I,q,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(I,q,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&SE(a,c);fE(a);rq(a.k,"Smaller part(s) removed !");return 1} -function iF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function mF(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];UE(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),UE(a));4==a.r[d]&&(a.r[d]=1)}} -function BF(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 xC(a){var b;IF(a);b=a.r.length;a.J=v(I,q,-1,b,1);a.M=v(I,q,-1,b,1);gE(a);UE(a)} -function gF(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(I,q,-1,c,1),jD(a.b,b,a.b.length),a.b=b,b=v(I,q,-1,c,1),jD(a.z,b,a.z.length),a.z=b,b=v(I,q,-1,c,1),jD(a.w,b,a.w.length),a.w=b,b=v(I,q,-1,c,1),jD(a.d,b,a.d.length),a.d=b,b=v(js,k,1,c,0),jD(a.c,b,a.c.length),a.c=b,b=v(js,k,1,c,0),jD(a.n,b,a.n.length),a.n=b,b=v(dE,k,-1,c,1),jD(a.I,b,a.I.length),a.I=b,b=v(dE,k,-1,c,1),jD(a.L,b,a.L.length),a.L=b,b=Mr([c,7]),jD(a.F,b,a.F.length),a.F=b,c=v(I,q,-1,c,1),jD(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function CE(a,b,c,d,e,f){var g;g=L(K(aD(a.I[b]-c/2)));f||(g-=d-c);a=L(K(aD(a.L[b]-~~(e/2))));return new ty(g-1-2,a-2,d+1+4,e+4)} -function lF(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(I,q,-1,b,1),jD(a.G,c,a.G.length),a.G=c,c=v(I,q,-1,b,1),jD(a.H,c,a.H.length),a.H=c,c=v(I,q,-1,b,1),jD(a.r,c,a.r.length),a.r=c,c=v(I,q,-1,b,1),jD(a.A,c,a.A.length),a.A=c,c=v(I,q,-1,b,1),jD(a.J,c,a.J.length),a.J=c,c=v(I,q,-1,b,1),jD(a.M,c,a.M.length),a.M=c,b=v(js,k,1,b,0),jD(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function XE(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(ND(),aa);i+="JME 2013-04-10 "+new xD+"\n \n";i+=WE(a.s,3)+WE(a.t,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=oF(0.055999999999999994*(a.I[e]-c),10,4)+oF(0.055999999999999994*(g-a.L[e]),10,4)+oF(0,10,4);h=BE(a,e);1==h.length?h+=" ":2==h.length?h+=ea:3<h.length&&(h="Q "); -i+=ea+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&&(d=4-a.z[e]);h=" 0"+WE(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=WE(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:JF(a,e)&&(g=2),c=WE(a.G[e],3)+WE(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=WE(a.H[e],3)+WE(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=WE(a.H[e],3)+WE(a.G[e],3)),i+=c+WE(g,3)+WE(d,3)+" 0 0 0\n"; -for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+="M CHG 1"+WE(e,4)+WE(a.z[e],4)+aa);return i+"M END\n"} -function pF(a){var b,c,d,e,f,g,i,h,l,m,o,n,r,w,H,B,N,O,V,ca,M,gc,zc,Mf,wb,Id,Jd,Kd,hb,Ac;o=v(I,q,-1,a.s+10,1);n=v(I,q,-1,a.s+10,1);l=v(I,q,-1,a.s+1,1);m=v(I,q,-1,7,1);wb=v(I,q,-1,a.s+1,1);w=v(KF,k,-1,a.s+1,2);H=v(KF,k,-1,a.t+1,2);gc=0;if(0==a.s)return j;JE(a,!0);Mf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Mf=!1;break}if(a.k.r&&Mf){LF(a);mF(a);MF(a,H);NF(a,w,H);var Eb,md,Te,Xb,oe,nd,od,db,LG,Md,t,wa,km,lm,Pr,$e,Na,mm,nm,Dc,om;Eb=v(I,q,-1,a.s+1,1);md=v(I,q,-1,a.s+1,1);db=v(OF,k,-1,a.s+1,3);var Qr=a.s,pm, -fh,Rr,Zf,nj,ue,af;nj=v(OF,k,-1,Qr+2,3);ue=v(I,q,-1,100,1);af=5;Zf=0;ue[0]=3;nj[1]=lh;nj[2]=mh;Rr=2;if(!(3>Qr))for(;af<ue[Zf]*ue[Zf];){fh=0;for(pm=!0;pm&&fh<=Zf&&af>=ue[fh]*ue[fh];)0==af%ue[fh]?pm=!1:++fh;if(pm){nj[++Rr]=Is(af);if(Rr>=Qr)break;Zf<ue.length-1&&(++Zf,ue[Zf]=af)}af+=2}for(t=1;t<=a.s;++t){for(wa=nm=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(nm*=a.f[wa]);mm=a.b[t];18==mm&&(om=a.n[t],nd=om.charCodeAt(0)-65+1,od=0,1<om.length&&(od=om.charCodeAt(1)-97),0>nd&&(nd=0),0>od&&(od=0),mm=28*nd+od); -$e=0;-2>a.z[t]?$e=1:-2==a.z[t]?$e=2:-1==a.z[t]?$e=3:1==a.z[t]?$e=4:2==a.z[t]?$e=5:2<a.z[t]&&($e=6);Dc=1;db[t]=Is(nm);Dc*=126;db[t]=Ds(db[t],Is(a.w[t]*Dc));Dc*=7;db[t]=Ds(db[t],Is($e*Dc));Dc*=7;db[t]=Ds(db[t],Is(mm*Dc));Dc*=783;db[t]=Ds(db[t],Is(a.y[t]*Dc))}for(oe=0;!GF(a,Eb,db);){Pr=!1;for(t=1;t<=a.s;++t)Eb[t]!=md[t]&&(md[t]=Eb[t],Pr=!0);if(Pr){for(t=1;t<=a.s;++t){db[t]=eh;for(wa=1;wa<=a.y[t];++wa)db[t]=Ms(db[t],nj[Eb[a.F[t][wa]]])}oe=0}else if(0<oe){for(t=1;t<=a.s;++t)db[t]=eh;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Eb[t]==Eb[wa]){db[t]=lh;break a}}else{for(t=1;t<=a.s;++t){db[t]=eh;for(wa=1;wa<=a.y[t];++wa)Te=a.F[t][wa],db[t]=Ms(db[t],Is(a.b[Te]*a.f[CF(a,t,Te)]))}oe=1}GF(a,Eb,db);for(t=1;t<=a.s;++t)db[t]=Is(md[t]*a.s+Eb[t])}for(t=1;t<=a.s;++t)md[t]=Eb[t];for(Na=1;Na<=a.s;++Na)for(t=1;t<=a.s;++t)if(md[t]==Na){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[Na];a.z[t]=a.z[Na];a.I[t]=a.I[Na];a.L[t]=a.L[Na];a.y[t]=a.y[Na];a.b[Na]=a.b[0];a.z[Na]=a.z[0]; -a.I[Na]=a.I[0];a.L[Na]=a.L[0];a.y[Na]=a.y[0];md[t]=md[Na];md[Na]=Na;a.n[0]=a.n[t];a.n[t]=a.n[Na];a.n[Na]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[Na];a.c[Na]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[Na];a.w[Na]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Eb[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Eb[a.G[t]],a.H[t]=Eb[a.H[t]],a.G[t]>a.H[t]&&(Md=a.G[t],a.G[t]=a.H[t],a.H[t]=Md,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){lm=km= -a.s;Xb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<km?(km=a.G[wa],lm=a.H[wa],Xb=wa):a.G[wa]==km&&a.H[wa]<lm&&(lm=a.H[wa],Xb=wa);Md=a.G[t];a.G[t]=a.G[Xb];a.G[Xb]=Md;Md=a.H[t];a.H[t]=a.H[Xb];a.H[Xb]=Md;Md=a.r[t];a.r[t]=a.r[Xb];a.r[Xb]=Md;Md=a.A[t];a.A[t]=a.A[Xb];a.A[Xb]=Md;LG=a.e[t];a.e[t]=a.e[Xb];a.e[Xb]=LG}xC(a);UE(a);MF(a,H);NF(a,w,H)}else{MF(a,H);a.f=v(I,q,-1,a.t+1,1);for(r=1;r<=a.t;++r)a.f[r]=a.r[r]}c=1;a.a=v(I,q,-1,a.s+1,1);Ac=1;a.a[1]=1;for(ca=0;;){M=0;for(r=1;r<=a.y[c];++r)if(g=a.F[c][r],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=wb[c]){zc=!0;for(N=1;N<=gc;++N)if(o[N]==c&&n[N]==g||o[N]==g&&n[N]==c){zc=!1;break}zc&&(++gc,o[gc]=c,n[gc]=g)}}else m[++M]=g;if(0==M){if(Ac==a.s)break;c=l[ca--]}else if(1==M)wb[m[1]]=c,c=m[1],a.a[c]=++Ac;else{l[++ca]=c;e=0;for(r=1;r<=M;++r)if(h=CF(a,m[r],c),!H[h]){e=m[r];break}if(0==e)for(r=1;r<=M;++r)if(h=CF(a,m[r],c),2==a.f[h]||3==a.f[h]){e=m[r];break}0==e&&(e=m[1]);wb[e]=c;c=e;a.a[e]=++Ac}}wb=v(I,q,-1,a.s+1,1);b=v(I,q,-1,a.s+1,1);O=v(KF,k,-1,a.s+1,2);Id=v(KF,k,-1,a.s+1,2);f=Ac=ca=0; -for(r=1;r<=a.s;++r)if(1==a.a[r]){c=r;break}a:for(;;){0<f&&(wb[c]=f);b[++Ac]=c;for(a.a[c]=0;;){M=e=0;V=a.s+1;r=1;b:for(;r<=a.y[c];++r){g=a.F[c][r];for(B=1;B<=gc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.a[g]&&(++M,a.a[g]<V&&(e=g,V=a.a[g]))}if(0==e){if(0==ca)break a;Id[c]=!0;c=l[ca--]}else break}f=c;c=e;1<M&&(l[++ca]=f,O[e]=!0)}Jd=v(I,q,-1,a.t+1,1);Kd=v(I,q,-1,a.s+1,1);if(a.k.Ib){var NG=wb,PK=gc,Sr,OG,gh,ve,Tr,Ur,La,oj,Vr;gh=v(I,q,-1,a.s+1,1);for(La=1;La<=a.s;++La)gh[b[La]]=La;Tr=v(KF, -k,-1,a.t+1,2);for(La=1;La<=a.s;++La)Sr=b[La],OG=NG[Sr],ve=CF(a,Sr,OG),0!=ve&&(PF(a,ve,gh,Jd,H),Tr[ve]=!0);for(La=1;La<=a.t;++La)Tr[La]||PF(a,La,gh,Jd,H);La=1;a:for(;La<=a.s;++La)if(!(2>a.y[La]||4<a.y[La])){Ur=Vr=0;for(oj=1;oj<=a.y[La];++oj){ve=CF(a,La,a.F[La][oj]);if(5==a.f[ve])continue a;1==a.r[ve]&&0!=QF(a,ve,La)&&++Vr;2==a.r[ve]&&(Ur=a.F[La][oj])}if(0!=Vr)if(0<Ur){var ga=a,QG=La,bf=gh,Qc=Kd,ic=void 0,pj=void 0,Ec=void 0,we=void 0,Fc=void 0,qm=void 0,rm=void 0,sm=void 0,Nd=void 0,Rc=void 0,Sc=void 0, -Wr=void 0,qj=void 0,Od=void 0,rj=void 0,xe=void 0,sj=void 0,Xr=void 0,tj=void 0,ye=void 0,RG=void 0,cf=void 0,SG=void 0,Yr=void 0,uj=void 0,df=void 0,Sc=1,pj=QG,ic=v(I,q,-1,ga.s+1,1);for(ic[1]=QG;;){Wr=!1;for(Rc=1;Rc<=ga.y[pj];++Rc)if(Ec=ga.F[pj][Rc],!(Ec==ic[1]||Ec==ic[Sc-1]))if(we=CF(ga,pj,Ec),2==ga.r[we]&&5!=ga.f[we]){pj=ic[++Sc]=Ec;Wr=!0;break}if(!Wr)break}if(!(0==Sc%2||2>ga.y[ic[Sc]]||3<ga.y[ic[Sc]])){df=ic[1];Fc=ic[~~((Sc+1)/2)];Nd=ic[Sc];cf=ye=xe=Od=0;Yr=Xr=!1;for(Rc=1;Rc<=ga.y[df];++Rc)Ec= -ga.F[df][Rc],we=CF(ga,df,Ec),1!=ga.r[we]||5==ga.f[we]||(0==Od?Od=Ec:xe=Ec);0<bf[xe]&&bf[Od]>bf[xe]&&(qm=Od,Od=xe,xe=qm);qj=Od;0==Od&&(qj=xe,Xr=!0);for(Rc=1;Rc<=ga.y[Nd];++Rc)Ec=ga.F[Nd][Rc],we=CF(ga,Nd,Ec),1!=ga.r[we]||5==ga.f[we]||(0==ye?ye=Ec:cf=Ec);0<bf[cf]&&bf[ye]>bf[cf]&&(qm=ye,ye=cf,cf=qm);tj=ye;0==ye&&(tj=cf,Yr=!0);rj=QF(ga,CF(ga,df,Od),df);sj=QF(ga,CF(ga,df,xe),df);RG=QF(ga,CF(ga,Nd,ye),Nd);SG=QF(ga,CF(ga,Nd,cf),Nd);1<(0>rj+sj?-(rj+sj):rj+sj)||0!=RG||0!=SG?rq(ga.k,"Bad stereoinfo on allene !"): -(rm=ga.I[ic[Sc-1]]-ga.I[Nd],sm=ga.L[ic[Sc-1]]-ga.L[Nd],uj=Math.sqrt(rm*rm+sm*sm),0.001>uj&&(uj=0.001),0<(ga.L[tj]-ga.L[ic[Sc-1]])*(rm/uj)-(ga.I[tj]-ga.I[ic[Sc-1]])*(sm/uj)?Qc[Fc]=1:Qc[Fc]=-1,Xr&&(Qc[Fc]*=-1),Yr&&(Qc[Fc]*=-1),qj==Od&&0>rj&&(Qc[Fc]*=-1),qj==xe&&0>sj&&(Qc[Fc]*=-1),bf[qj]>bf[tj]&&(Qc[Fc]*=-1))}}else b:{var qb=a,Wa=La,Zr=NG,TG=gh,UG=o,VG=n,QK=PK,tm=Kd,um=void 0,Tc=void 0,$r=void 0,hh=void 0,ya=void 0,ih=void 0,qd=void 0,vj=void 0,Pd=void 0,Pb=void 0,da=void 0,ba=void 0,ze=void 0,vm=void 0, -Uc=void 0,G=void 0,wm=void 0,ba=v(I,q,-1,4,1),vm=v(I,q,-1,4,1),wj=void 0,Vc=void 0,xm=void 0,ym=void 0,as=void 0,xj=void 0,xj=-1;0<Zr[Wa]&&(ba[++xj]=Zr[Wa]);for(Vc=1;Vc<=QK;++Vc)UG[Vc]==Wa&&(ba[++xj]=VG[Vc]),VG[Vc]==Wa&&(ba[++xj]=UG[Vc]);for(Vc=xj+1;Vc<qb.y[Wa];++Vc){as=qb.s+1;xm=1;c:for(;xm<=qb.y[Wa];++xm){wj=qb.F[Wa][xm];for(ym=0;ym<Vc;++ym)if(wj==ba[ym])continue c;TG[wj]<as&&(as=TG[wj],ba[Vc]=wj)}}0==Zr[Wa]&&0<qb.w[Wa]?(ba[3]=ba[2],ba[2]=ba[1],ba[1]=ba[0],ba[0]=-1):0<qb.w[Wa]&&(ba[3]=ba[2],ba[2]= -ba[1],ba[1]=-1);for(ya=vj=ih=hh=wm=qd=Pb=0;4>ya;++ya)0>=ba[ya]||(um=CF(qb,Wa,ba[ya]),vm[ya]=QF(qb,um,Wa),0<vm[ya]?(++Pb,wm=ba[ya],ih=ba[ya]):0>vm[ya]?(++qd,hh=ba[ya],ih=ba[ya]):vj=ba[ya]);Pd=Pb+qd;G=v(I,q,-1,4,1);Uc=0;if(3==qb.y[Wa]){if(1==Pb&&1==qd||3==Pd&&0<Pb&&0<qd){rq(qb.k,"Error in C3H stereospecification !");break b}ze=ba[0];1==Pd?ze=ih:2==Pd&&(ze=vj);da=AF(qb,Wa,ze,ba);G[0]=ih;G[1]=-1;G[2]=da[2];G[3]=da[1];0<Pb?Uc=1:Uc=-1}else if(4==qb.y[Wa])if(1==Pd)da=AF(qb,Wa,ih,ba),G[0]=da[0],G[1]=da[3], -G[2]=da[2],G[3]=da[1],0<Pb?Uc=1:Uc=-1;else{ze=ba[0];1<vj&&(ze=vj);1==Pb?ze=wm:1==qd&&(ze=hh);da=AF(qb,Wa,ze,ba);Tc=v(I,q,-1,4,1);for(ya=0;4>ya;++ya)um=CF(qb,Wa,da[ya]),Tc[ya]=QF(qb,um,Wa);if(4==Pd){if(0==Pb||0==qd){rq(qb.k,"Error in C4 stereospecification !");break b}if(1==Pb||1==qd)G[0]=da[0],G[1]=da[3],G[2]=da[2],G[3]=da[1],Uc=Tc[0];else{for(ya=0;4>ya;++ya)-1==Tc[ya]&&(Tc[ya]=0);Pd=2}}else if(3==Pd)if(3==Pb||3==qd)G[0]=da[0],G[1]=da[3],G[2]=da[2],G[3]=da[1],0<Pb?Uc=-1:Uc=1;else{1==Pb?Pb=$r=1:qd= -$r=-1;for(ya=0;4>ya;++ya)Tc[ya]==$r&&(Tc[ya]=0);Pd=2}if(2==Pd)if(1==Pb&&1==qd)da[1]==hh?(da[1]=da[2],da[2]=da[3]):da[2]==hh&&(da[2]=da[3]),G[0]=wm,G[1]=hh,G[2]=da[2],G[3]=da[1],Uc=1;else{if(Tc[0]==Tc[1]||Tc[1]==Tc[2]){rq(qb.k,"Error in C4 stereospecification ! 2/0r");break b}0!=Tc[0]?(G[0]=da[0],G[1]=da[2],G[2]=da[1],G[3]=da[3]):(G[0]=da[1],G[1]=da[3],G[2]=da[2],G[3]=da[0]);1<Pb?Uc=1:Uc=-1}}var jb=void 0;ba[0]==G[1]?(jb=G[0],G[0]=G[1],G[1]=jb,jb=G[2],G[2]=G[3],G[3]=jb):ba[0]==G[2]?(jb=G[2],G[2]=G[0], -G[0]=jb,jb=G[1],G[1]=G[3],G[3]=jb):ba[0]==G[3]&&(jb=G[3],G[3]=G[0],G[0]=jb,jb=G[1],G[1]=G[2],G[2]=jb);ba[1]==G[2]?(jb=G[1],G[1]=G[2],G[2]=jb,jb=G[2],G[2]=G[3],G[3]=jb):ba[1]==G[3]&&(jb=G[1],G[1]=G[3],G[3]=jb,jb=G[2],G[2]=G[3],G[3]=jb);G[2]==ba[2]?tm[Wa]=1:G[2]==ba[3]?tm[Wa]=-1:rq(qb.k,"Error in stereoprocessing ! - t30");tm[Wa]*=Uc}}}hb=new iD;i=v(I,q,-1,a.s+1,1);for(r=1;r<=a.s;++r)i[b[r]]=r;for(r=1;r<=a.s;++r){c=b[r];O[c]&&cn(hb.a,ra);0<wb[r]&&RF(a,c,wb[c],hb,Jd);var jh=w[c],Gb=void 0,yj=void 0, -kh=void 0,R=void 0,R=Nc,Gb=!1;0!=a.z[c]&&(Gb=!0);0!=Kd[c]&&(Gb=!0);kh=-1;for(yj=1;yj<=a.x;++yj)if(a.p[yj][0]==c){kh=a.p[yj][1];break}-1<kh&&(Gb=!0);a.k.Hb&&0<a.d[c]&&(Gb=!0,kh=1);switch(a.b[c]){case 2:R=Ab;break;case 3:jh?R="c":R=Db;break;case 4:jh?(R=qf,0<a.w[c]&&(Gb=!0)):R=cc;break;case 5:jh?R="o":R=lc;break;case 7:jh?(R="p",0<a.w[c]&&(Gb=!0)):R=nc;break;case 8:jh?R=jg:R=yc;break;case 13:jh?R=mg:R=Cc;Gb=!0;break;case 6:R=Gc;Gb=!0;break;case 9:R=Ob;break;case 10:R=Jb;break;case 11:R=Cb;break;case 12:R= -Vb;break;case 1:R=Tb;Gb=!0;break;case 19:R=oc;Gb=!0;break;case 20:R=pc;Gb=!0;break;case 21:R=qc;Gb=!0;break;case 22:R=rc;Gb=!0;break;case 18:Gb=!0,R=a.n[c],(E(R,ta)||E(R,Zc)||E(R,vb))&&(Gb=!1)}Gb&&(R=Oc+R,1==Kd[c]?R+=ub:-1==Kd[c]&&(R+="@@"),1==a.w[c]?R+=Tb:1<a.w[c]&&(R+=Tb+a.w[c]),0!=a.z[c]&&(0<a.z[c]?R+=ua:R+=za,1<Lj(a.z[c])&&(R+=Lj(a.z[c]))),-1<kh&&(R+=kb+kh),R+=Wc);cn(hb.a,R);for(B=1;B<=gc;++B)if(o[B]==c||n[B]==c)d=n[B],d==c&&(d=o[B]),i[c]<i[d]&&RF(a,o[B],n[B],hb,Jd),9<B&&cn(hb.a,"%"),dn(hb,j+ -(new T(B)).a);Id[c]&&cn(hb.a,sa)}return Sn(hb.a)} -function SE(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)oC(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function TE(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&SE(a,c);0==a.y[d]&&SE(a,d)} -function LF(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=CF(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&SE(a,c)}}}function IF(a){var b;b=a.b.length;a.F=Mr([b,7]);a.y=v(I,q,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function NF(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(I,q,-1,a.t+1,1);o=v(KF,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[CF(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:JF(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(KF,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function gE(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=L(K(aD((a.I[b]+a.I[c])/2))),a.M[d]=L(K(aD((a.L[b]+a.L[c])/2)))}function MF(a,b){var c;for(c=1;c<=a.t;++c)DE(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function BE(a,b){var c;c=(ND(),gC)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function JF(a,b){return 2==a.r[b]?!0:!1}function DE(a,b,c){var d,e,f,g;g=1;a.a=v(I,q,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function eF(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=Mr([b+5,2]),jD(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function eC(a){var b;a.x=0;a.q=0;pF(a);for(b=1;b<=a.s;++b)a.C=b,eF(a);a.C=0} -function RE(a){var b,c;b=v(dE,k,-1,4,1);eE(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function $D(a,b){var c,d,e,f,g,i,h,l;c=v(dE,k,-1,4,1);eE(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;eE(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function nF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function VE(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&bD(c,Wc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(va)&&(f=!0);-1<c.indexOf(mb)&&(f=!0);-1<c.indexOf(ja)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(kb);e=c.indexOf(Tb);g=Kj(c.indexOf(ua),c.indexOf(za));if(-1<d){i=uu(c,d+1);try{a.k.x=wB(i,10)}catch(h){if(h=Ei(h),y(h,73))a.k.x=0;else throw h;}a.C=b;eF(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=E(d,Db)?3:E(d,Ab)?2:E(d,cc)?4:E(d,lc)?5:E(d,nc)?7:E(d,yc)?8:E(d,Ob)?9:E(d,Jb)?10:E(d,Cb)?11:E(d,Vb)?12:E(d,Tb)?1:E(d,Cc)?13:E(d,Gc)?6:E(d,oc)?19:E(d,pc)?20:E(d,qc)?21:E(d,rc)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ea;d=0;0<e&&(d=1,e=KC(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=KC(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=KC(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=KC(c,g++);for(;45==e;)--d,e=KC(c,g++)}a.z[b]=d}}} -function jC(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new QB(b);try{for(;b.j=JB(b,b.a),b.j<b.i;)d=XC(wB(MB(b),10)).a,c=e=XC(wB(MB(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Ei(f),y(f,73))an(f);else throw f;}}function RF(a,b,c,d,e){b=CF(a,b,c);5!=a.f[b]&&JF(a,b)?cn(d.a,rb):3==a.r[b]?cn(d.a,ja):9==a.r[b]?(e=tb,a=a.e[b],null!=a&&(e=a),cn(d.a,e)):1==e[b]?cn(d.a,Va):-1==e[b]&&cn(d.a,Pc)} -function fF(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,rq(a.k,"Stereomarking meaningless on this bond !");else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:rq(a.k,"Stereomarking allowed only on single and double bonds!")} -function PF(a,b,c,d,e){var f,g,i,h,l,m,o,n,r;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=CF(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=CF(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=CF(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=CF(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,r=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=r?0-r:r))rq(a.k,"Not unique E/Z geometry !");else{i=CF(a,b,e);f=CF(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=CF(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<r||0>o&&0>r?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function HF(a,b){var c,d,e;e=0;for(d=1;d<=a.y[b];++d)if(c=CF(a,b,a.F[b][d]),1==a.r[c])e+=1;else if(JF(a,c))e+=2;else if(3==a.r[c])e+=3;else if(9==a.r[c])return-1;return e}function QF(a,b,c){var d;d=a.A[b];return 1>d||4<d?0:1==d&&a.G[b]==c?1:2==d&&a.G[b]==c?-1:3==d&&a.H[b]==c?1:4==d&&a.H[b]==c?-1:0} -function UE(a){var b;for(b=1;b<=a.s;++b){var c=a,d=b,e=void 0,e=HF(c,d);if(-1==e)c.w[d]=0;else{switch(c.b[d]){case 1:2==e?c.z[d]=1:c.z[d]=0;c.w[d]=0;break;case 2:3==e||5==e?(c.w[d]=0,c.z[d]=0):3>e?c.w[d]=3-e-c.z[d]:4==e?(c.z[d]=-1,c.w[d]=0):5<e&&(c.z[d]=e-5,c.w[d]=0);break;case 3:case 6:4>e?0<c.z[d]?c.w[d]=2-e+c.z[d]:0>c.z[d]?c.w[d]=2-e-c.z[d]:c.w[d]=4-e:(c.z[d]=e-4,c.w[d]=4-e+c.z[d]);break;case 4:case 7:3>e?c.w[d]=3-e+c.z[d]:3==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:(c.z[d]= -4==e?1:6==e?-1:e-5,c.w[d]=0);break;case 5:2==e&&(0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0);2<e&&(c.z[d]=e-2);c.w[d]=2-e+c.z[d];break;case 8:case 13:2>e?c.w[d]=2-e+c.z[d]:2==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:3==e?2==c.y[d]?(c.z[d]=0,c.w[d]=1):(c.z[d]=1,c.w[d]=0):4==e?(c.z[d]=0,c.w[d]=0):5==e?(c.z[d]=0,c.w[d]=1):(c.z[d]=e-6,c.w[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.z[d]=e-1);c.w[d]=1-e+c.z[d];2<e&&(c.z[d]=0,c.w[d]=0);break;case 19:case 18:c.w[d]= -0}0>c.w[d]&&(c.w[d]=0)}}}function hE(a){zF(this);this.k=a;this.x=this.t=this.s=0} -function 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OB(f);MB(g);MB(g);i=XC(wB(MB(g),10)).a; -for(e=1;e<=i;++e)c=XC(wB(MB(g),10)).a,this.z[c]=XC(wB(MB(g),10)).a}if(0==f.indexOf("M APO")){g=new OB(f);MB(g);MB(g);i=XC(wB(MB(g),10)).a;for(e=1;e<=i;++e)c=XC(wB(MB(g),10)).a,f=XC(wB(MB(g),10)).a,this.C=c,$(this,0),VE(this,this.s,oc+f),this.C=0}}LF(this);xC(this)}} -function wC(a,b){var c,d,e,f,g;hE.call(this,a);0==b.indexOf(ha)&&(b=b.substr(1,b.length-1));bD(b,ha)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.s=0;else{try{f=new OB(b);d=XC(wB(MB(f),10)).a;e=XC(wB(MB(f),10)).a;for(c=1;c<=d;++c)g=MB(f),gF(this),VE(this,this.s,g),this.I[c]=(new WC(TC(MB(f)))).a,this.L[c]=-(new WC(TC(MB(f)))).a;for(c=1;c<=e;++c)if(lF(this),this.G[c]=XC(wB(MB(f),10)).a,this.H[c]=XC(wB(MB(f),10)).a,this.r[c]=XC(wB(MB(f),10)).a,-1==this.r[c])this.r[c]=1,this.A[c]=1;else if(-2==this.r[c])this.r[c]= -1,this.A[c]=2;else if(-5==this.r[c])this.r[c]=2,this.A[c]=10;else 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if(2==f.A[i]||4==f.A[i]){r=ca*B;n=ca*w;for(h=0;10>h;++h)H=V-(V-O)/10*h,N=M-(M-o)/10*h,m=h/10,Z(g,L(K(Math.round(H+r*m))),L(K(Math.round(N-n*m))),L(K(Math.round(H-r*m))),L(K(Math.round(N+n*m))))}else Z(g,L(K(Math.round(V))),L(K(Math.round(M))),L(K(Math.round(O))),L(K(Math.round(o))))}}w=v(cE,k,-1,f.s+1,1);B=v(I,q,-1,f.s+1,1);for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],l=f.I[h],o=f.I[m],++B[h],++B[m],w[h]= -w[h]/B[h]+o/B[h],w[m]=w[m]/B[m]+l/B[m];sE(g,f.k.j);m=yE(f.k.k);M=v(is,k,1,f.s+1,0);O=v(I,q,-1,f.s+1,1);o=v(I,q,-1,f.s+1,1);l=v(zE,k,52,f.s+1,0);for(i=1;i<=f.s;++i)h=AE(f,i),(null==h||1>h.length)&&(h=ta),3==f.b[i]&&0<f.y[i]&&0==f.z[i]?(M[i]=h,O[i]=o[i]=JA(f.k.k,h),l[i]=BE(f,i,O[i],O[i],m,!1)):(V=w[i]<f.I[i],H=!0,1<B[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/3&&(H=!1),2<B[i]&&(H=!1),1==B[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/10&&(V=!0),n=h,N=j,f.k.Eb&&0<f.w[i]&&(N+= 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-ea+f.p[h][1],V+r,n);if(0<f.C||0<f.D)if(Y(g,104==f.k.b?(rz(),yz):(rz(),Dz)),0<f.C&&106!=f.k.b&&(r=l[f.C],iE(g,r.c,r.d,r.b,r.a)),0<f.D&&(h=f.G[f.D],m=f.H[f.D],n=f.I[m]-f.I[h],B=f.L[m]-f.L[h],w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w,r=(ca+1)*B,n=(ca+1)*w,N=v(I,q,-1,5,1),H=v(I,q,-1,5,1),N[0]=L(K($C(f.I[h]+r))),N[1]=L(K($C(f.I[m]+r))),H[0]=L(K($C(f.L[h]-n))),H[1]=L(K($C(f.L[m]-n))),N[3]=L(K($C(f.I[h]-r))),N[2]=L(K($C(f.I[m]-r))),H[3]=L(K($C(f.L[h]+n))),H[2]=L(K($C(f.L[m]+n))),N[4]=N[0],H[4]=H[0],106!= -f.k.b&&(ca=g,i=N,B=H,ca.n&&(jE(ca,!1),kE(ca,xE(ca,i,B,5,!0)))),106==f.k.b&&CE(f,f.G[f.D],f.H[f.D]))){ca=0;for(i=1;i<=f.s;++i)0<f.a[i]&&++ca;if(ca>~~(f.s/2))for(i=1;i<=f.s;++i)0<f.a[i]?f.a[i]=0:f.a[i]=1;Y(g,(rz(),yz));for(i=1;i<=f.s;++i)0<f.a[i]&&(r=l[i],iE(g,r.c,r.d,r.b,r.a))}}}a.y||(a.mb?(Y(e,(rz(),wz)),Z(e,c-1,0,c-1,b-1)):(Y(e,Fz(mC)),Z(e,c-1,0,c-1,b-1),Y(e,mC),Z(e,c-2,0,c-2,b-1),Y(e,OD),Z(e,c-3,0,c-3,b-1)));a.Ab&&(d=~~((c-48)/2),Y(e,(rz(),Bz)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.y&&(a.S=new Sz(Ub,0,13),a.V=new IA(a.S),null!=a.ab&&(d=JA(a.V,a.ab),c=L(K(Math.round((c-d)/2))),b-=13,Y(e,(rz(),xz)),sE(e,a.S),tE(e,a.ab,c,b)));uE(a.Nb,a.bb,a.X,2*a.X+a.R)}} -function qE(a,b,c,d,e){var f,g,i,h,l;f=~~(a.X/4);g=!1;h=v(I,q,-1,9,1);l=v(I,q,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+a*Math.sin(i)),l[f]=J(d+a*Math.cos(i));f=e+1;b.n&&(jE(b,!1),kE(b,xE(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+(a-3)*Math.sin(i)),l[f]=J(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function DE(a){var b,c,d;if(a.lb){d=a.Kb.a;b=a.B.b;c=2*a.X+a.R;Y(d,mC);eA(d,0,0,b,c);a.mb?(Y(d,(rz(),wz)),c=13*(a.X+a.R),iE(d,c,0,b-c-1,2*a.X+a.R-1)):(Y(d,Fz(mC)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,OD),Z(d,0,0,b-1,0));c=a.b;233<=a.b&&262>=a.b&&(a.b=213);for(b=1;13>=b;++b)hE(a,d,b,1),hE(a,d,b,2);a.b=c;uE(a.Nb,a.Kb,0,0)}} -function nE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);mE(a,b,c+m-i,f,d-4-i-1,e,h)} -function EE(a,b){var c,d,e,f,g,i,h;rC(a);if(0==b.indexOf("$RXN")){a.Ab=!0;a.hb=!0;g=FE(b);h=new OB(b,g,!0);d=j;for(c=1;5>=c;++c)d=GE(h,g);c=WC(vB(Nn(d.substr(0,3)),10)).a;f=WC(vB(Nn(d.substr(3,3)),10)).a;GE(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=GE(h,g),null==i||E(i,"$MOL"));)e+=i+g;a.eb[++a.sb]=new HE(a,e)}bE(a,1,c,1);bE(a,c+1,c+f,3)}else{a.Ab=!1;a.Y=new HE(a,b);if(!a.Y||0==a.Y.s)return a.ib=!0,a.I="ERROR - problems in reading/processing MOL input",cC(a),!1;null!=a.f&&a.Y&&iC(a.Y,a.f,!0);null!=a.i&& -a.Y&&iC(a.Y,a.i,!1);g=IE(a.Y,!1);if(1==g)a.eb[++a.sb]=a.Y;else{a.hb=!0;for(d=1;d<=g;++d)a.eb[++a.sb]=new JE(a,a.Y,d)}a.d=1;a.Y=a.eb[a.d];bE(a,1,g,0)}cC(a);return!0} -function KE(a,b){var c,d,e,f,g,i,h,l;rC(a);c=f=0;l=new OB(b,"|>",!0);e=-1<b.indexOf(sb);i=1;g=HB(l);a.sb=0;for(d=1;d<=g;++d)if(h=LB(l),Nn(h),!E(h,ah))if(E(h,sb))++i,2==i?f=a.sb:3==i&&(c=a.sb+1);else{a.Y=new vC(a,h);if(0==a.Y.s)return xC(a,"ERROR - problems in reading/processing molecule !"),hB(),!1;++a.sb;a.d=a.sb;a.eb[a.sb]=a.Y}if(2==i)return xC(a,"ERROR - strange reaction - fixing !"),hB(),!1;if(3<i)return xC(a,"ERROR - strange reaction !"),hB(),!1;1<a.sb&&!e&&bC(a,of);e&&!a.Ab&&bC(a,Zf);!e&&a.Ab&& -bC(a,sf);e?(bE(a,1,f,1),bE(a,f+1,c-1,2),bE(a,c,a.sb,3)):bE(a,1,a.sb,0);cC(a);return!0}function qq(a,b){a.ib=!0;a.I=b} -function uq(a,b){var c,d;if(0==b)return!1;$D(a);c=a.b;a.b=b;if(300>=b)switch(a.lb=!0,a.jb=!0,b){case 102:nC(a);d=a.Z;d.a=d.b;d.b.c=null;LE(a.Cb);break;case 110:a.kb=!0;a.b=c;a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b?a.e&&(++a.sb,a.d=a.sb,a.e=!1):(a.ib=!0,a.I="No more undo");if(!(a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b))break;ME(a,JD(a.Z));a.kb=!0;break;case 111:a.b=c;if(a.Z.a.c)a.e&&(++a.sb,a.d=a.sb,a.e=!1);else{a.ib=!0;a.I="No more redo";break}if(!a.Z.a.c)break;d=a.Z;if(!d.a.c)throw new yu("Cannot redo. Index is out of range."); -if(!d.a.c)throw new yu(Yb);d.a=d.a.c;ME(a,d.a.a);a.kb=!0;break;case 152:a.b=c;d=a.Cb;d.a<d.c-1?(++d.a,d=tt(d,d.a)):d=null;null==d?(a.ib=!0,a.I=hc):(qq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=bD(d),jC(a,d,!1),null!=a.qb&&QB(a.qb,null));break;case 151:a.b=c;d=a.Cb;0<d.a?(--d.a,d=tt(d,d.a)):d=null;null==d?(a.ib=!0,a.I=hc):(qq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=bD(d),jC(a,d,!1),null!=a.qb&&QB(a.qb,null));break;case 101:a.Fb&&DD(a.Fb);a.Fb=new NE(1,a);a.b=c;break;case 107:!a.yb?a.yb=new OE(a):a.yb._b.c.$?PE(a.yb._b.c): -kC(a.yb);break;case 113:a.a&&DD(a.a);a.a=new NE(0,a);a.b=c;break;case 103:a.kb=!0;a.nb=!0;a.b=c;break;case 105:a.kb=!0;a.p&&a.fb&&(a.fb=!1,dC(a.Y),a.b=c);a.x=1;break;case 112:case 109:a.b=c;d=QE(a.Y);if(2==d){a.ib=!0;a.I="Copying the agent not possible !";break}d=v(cE,k,-1,4,1);dE(a.Y,d);a.kb=!0;a.Y=new TD(a.Y);d=J(~~((a.B.b-a.X)/2)-d[0]);for(c=1;c<=a.Y.s;++c)a.Y.I[c]+=2*d;wC(a.Y);a.eb[++a.sb]=a.Y;a.d=a.sb;break;case 104:0<a.Y.C?(a.kb=!0,RE(a.Y,a.Y.C),a.Y.C=0,aE(a)):0<a.Y.D&&(a.kb=!0,SE(a.Y,a.Y.D), -a.Y.D=0,aE(a));TE(a.Y);break;case 213:a.b=c;if(!a.D){var e,f,g,i;i=new yA;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new qA(c),wA(i,g),g.c=c,Ly(g.d,a);Jx(a,i);a.D=i}xA(a.D,a,a.E.a,a.E.b)}else{a.jb=!0;a.lb=!0;switch(b){case 301:a.c=3;break;case 401:a.c=4;break;case 501:a.c=5;break;case 701:a.c=9;break;case 801:a.c=10;break;case 901:a.c=11;break;case 1001:a.c=12;break;case 601:a.c=8;break;case 1101:a.c=7;break;case 1300:a.c=1;break;case 1201:a.n&&(DD(a.n),a.n=null);0==a.Y.C&&(a.n=new NE(2,a));a.c=18; -break;case 1301:a.c=19;break;case 1302:a.c=20;break;case 1303:a.c=21;break;case 1304:a.c=22}0<a.Y.C&&(a.kb=!0,a.c!=a.Y.b[a.Y.C]&&18!=a.c&&(a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,aE(a)),18==a.c&&(d=Sn((rq(),sq)._b.a.gb,Rg),UE(a.Y,a.Y.C,d),aE(a)),TE(a.Y))}cC(a);return!0} -function nq(a){var b,c,d;d=yC(a);c=j;if(a.Ab){var e,f,g;g=Lr([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)QE(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(VE(g[1][0],3)+VE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ka+WE(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ka+WE(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new XE(a,a.eb,a.sb)),c=WE(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function YE(a,b,c,d){var e;e=c;var f=d,g,i;(g=ZE(b),i=0!=(b.e&2),g||i)?(a.Ab?xA((!a.v&&(a.v=ZB(a,!0)),a.v),a,e,f):xA((!a.u&&(a.u=ZB(a,!1)),a.u),a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=$E(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){b=0;for(e=1;13>=e;++e)if(c<e*(a.X+a.R)){b=e;break}c=0;for(e=1;e<=$B+2;++e)if(d<e*(a.X+a.R)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Gb=!0,a.ib=!0,a.I="Next ring will be added as spiro",cC(a), -!0;if(!a.xb&&107==d||!a.Ib&&201==d||!a.hb&&103==d||!a.rb&&!a.p&&105==d||!a.Ab&&109==d)return!1;e=uq(a,d)}else{if(d>a.B.a-a.X-1)return!1;a.gb=!0;c-=a.X;d-=2*a.X+a.R;if(0<a.Y.C)if(104==a.b)RE(a.Y,a.Y.C),a.Y.C=0,aE(a);else{if(106==a.b)return!0;if(108==a.b)aF(a.Y,a.Y.C,0),aE(a);else if(157==a.b)aF(a.Y,a.Y.C,1),aE(a);else if(158==a.b)aF(a.Y,a.Y.C,-1),aE(a);else if(202==a.b||203==a.b||204==a.b||201==a.b||205==a.b)a.N=1,$(a.Y,0),a.Y.E=a.Y.C,205==a.b?(a.Y.u=1,a.Y.i[1]=a.Y.s,a.Y.i[0]=a.Y.C,a.Y.D=0):aE(a); -else if(206<=a.b&&229>=a.b)a.N=2,bF(a.Y),aE(a);else if(230==a.b)a.N=3,aE(a);else if(233<=a.b&&262>a.b)cF(a.Y,!1),aE(a),a.N=3;else if(107==a.b){if(a.yb.b)return!0;UE(a.Y,a.Y.C,Sn(a.yb.e._b.a.gb,Rg));aE(a)}else if(105==a.b)dF(a.Y);else if(300<a.b){if(a.c!=a.Y.b[a.Y.C]||18==a.c)a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,18==a.c&&(d=Sn((rq(),sq)._b.a.gb,Rg),1>d.length&&(d=Nc),UE(a.Y,a.Y.C,d)),aE(a)}else e=!1}else if(0<a.Y.C&&206<=a.b&&229>=a.b)a.N=2,bF(a.Y),aE(a);else if(0<a.Y.D)if(104==a.b)SE(a.Y, -a.Y.D),a.Y.D=0,aE(a);else if(106==a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])qq(d.k,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;RE(d,c);d.a[c]=0}a.Y.D=0;aE(a)}else if(201==a.b)eF(a.Y,a.Y.D),aE(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),aE(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,aE(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,aE(a); -else if(206<=a.b&&229>=a.b)a.N=2,bF(a.Y),aE(a);else if(107==a.b){if(!a.yb.b)return!0;d=Sn(a.yb.e._b.a.gb,Rg);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;aE(a)}else 105==a.b?(a.ib=!0,a.I="Only atoms may be marked !"):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new gE(a);a.Y=a.eb[a.sb];a.nb=!1;202<=a.b&&204>=a.b||205==a.b?(fF(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,a.Y.E=1,a.N=1,$(a.Y,0),205==a.b&&(a.Y.I[2]=c+21.65,a.Y.L[2]=d-12.5,a.Y.i[0]=1,a.Y.i[1]=2,a.Y.u=1)):206<= -a.b&&229>=a.b?(a.Y.K=c,a.Y.N=d,a.N=2,bF(a.Y)):300<a.b?(fF(a.Y),a.Y.b[1]=a.c,a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,18==a.c&&(d=Sn((rq(),sq)._b.a.gb,Rg),1>d.length&&(d=Nc),UE(a.Y,1,d))):230==a.b?hC(a,null):233<=a.b&&262>a.b?(fF(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,cF(a.Y,!0)):hB();aE(a)}else e=!1;e&&(TE(a.Y),a.jb=!1,a.lb=!1,a.kb=!0,cC(a))}return e} -function gF(a,b,c,d){var e,f;if(a.y||!a.gb||ZE(b))return!0;a.ib=!1;c-=a.X;d-=2*a.X;e=c-a.Lb;f=d-a.Mb;if(2==a.N||3==a.N||9==a.N)return!0;if(1==a.N){a:{b=a.Y;e=c;f=d;var g,i,h,l,m,o,n;b.C=0;b.I[0]=e;b.L[0]=f;g=hF(b,0);if(0<g&&205!=b.k.b)b.C=g,g!=b.E?(b.I[b.s]=b.I[g],b.L[b.s]=b.L[g]):(b.I[b.s]=b.K,b.L[b.s]=b.N);else if(205==b.k.b){b.D=0;g=b.i[b.u];l=b.i[b.u-1];i=b.I[g]-b.I[l];h=b.L[g]-b.L[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.I[l];n=f-b.L[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.u)RE(b,b.s),--b.u,b.B=!1;else if(2==b.s)0>b.L[2]-b.L[1]&&0<f-b.L[1]?b.L[2]=b.L[1]+g/2:0<b.L[2]-b.L[1]&&0>f-b.L[1]&&(b.L[2]=b.L[1]-g/2),0>b.I[2]-b.I[1]&&0<e-b.I[1]?b.I[2]=b.I[1]+0.866*g:0<b.I[2]-b.I[1]&&0>e-b.I[1]&&(b.I[2]=b.I[1]-0.866*g);else{if(2==b.y[b.i[0]]&&(m=b.F[b.i[0]][1],m==b.i[1]&&(m=b.F[b.i[0]][2]),i=b.I[b.i[0]]-b.I[m],h=b.L[b.i[0]]-b.L[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.I[m],n=f-b.L[m],e=n*i-o*h,o=b.I[b.i[1]]-b.I[m],n=b.L[b.i[1]]-b.L[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.t,b.C=b.i[0],$(b,0),SE(b,e),0<hF(b,b.s)&&(b.B=!0)}else{if(b.B)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.u;if(100<b.u){qq(b.k,"You are too focused on chains, enough of it for now !");--b.u;break a}b.C=b.s;$(b,L(K(Math.round(h))));b.i[b.u]=b.s;0<hF(b,b.s)&&(b.B=!0)}}b.C=0;e=b.u;qq(b.k,e+j)}else i=e-b.I[b.E],h=f-b.L[b.E],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.I[b.s]=b.I[b.E]+25*(i/g),b.L[b.s]=b.L[b.E]+25*(h/g)}a.q=!0}else if($E(b)||ZE(b))ZD(a.Y,e),a.N= -5;else if(0==a.Y.C&&0==a.Y.D){5!=a.N&&(e=f=0);b=a.Y;for(g=1;g<=b.s;++g)b.I[g]+=e,b.L[g]+=f;h=v(cE,k,-1,4,1);dE(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.k.B.b-b.k.X&&0<h&&h<b.k.B.a-3*b.k.X))for(g=1;g<=b.s;++g)b.I[g]-=e,b.L[g]-=f;a.N=5}a.C=!1;$D(a);a.kb=!0;cC(a);a.Lb=c;a.Mb=d;return!0} -function iF(a,b,c,d){var e,f,g;if(!a.y&&!ZE(b)){c-=a.X;d-=2*a.X;g=!1;f=0;b=1;a:for(;b<=a.sb;++b){e=a.eb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,r=void 0,l=void 0,o=0,r=((MD(),RD)?350:170)+1,n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<r&&(r=l,o=n);o*=-1;for(n=1;n<=e.s;++n)l=i-e.I[n],m=h-e.L[n],l=l*l+m*m,l<r&&(r=l,o=n);e=o;if(0!=e){a.eb[b].C=0<e?e:0;a.eb[b].D=0>e?-e:0;f=b;g=!0;0<a.eb[b].C&&null!=a.pb&&QB(a.pb,F(ZC,k,76,[new T(a.d),new T(a.Y.C)]));break a}else if(0<a.eb[b].C||0<a.eb[b].D)a.eb[b].C= -0,a.eb[b].D=0,g=!0}if(g){for(b=a.d+1;b<=a.sb;++b)a.eb[b].C=0,a.eb[b].D=0;a.C=!1;$D(a);a.kb=!0;cC(a)}0!=f&&f!=a.d&&(a.d=f,a.Y=a.eb[a.d])}} -function jF(a){if(a.y)return!0;a.ib=!1;a.O=ch;if(1==a.N){if(205==a.b){var b=a.Y,c,d;b.B&&(c=hF(b,b.s),6>b.y[c]&&(kF(b),d=b.i[b.u-1],b.G[b.t]=c,b.H[b.t]=d,b.F[c][++b.y[c]]=d,b.F[d][++b.y[d]]=c),RE(b,b.s));b.B=!1;aE(a)}else a:{var b=a.Y,e,f;c=hF(b,b.s);if(0!=c){--b.s;for(f=1;f<b.t;++f)if(d=b.G[f],e=b.H[f],d==c&&e==b.E||d==b.E&&e==c){--b.t;--b.y[b.E];3>b.r[f]?(++b.r[f],b.A[f]=0):qq(b.k,"Maximum allowed bond order is 3 !");break a}6==b.y[c]?(--b.t,--b.y[b.E],qq(b.k,"Not possible connection !")):(b.H[b.t]= -c,b.F[c][++b.y[c]]=b.E,b.F[b.E][b.y[b.E]]=c,b.J[b.t]=L(K($C((b.I[b.E]+b.I[c])/2))),b.M[b.t]=L(K($C((b.L[b.E]+b.L[c])/2))))}}fE(a.Y);a.q&&(b=a.Z,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,JD(b),b.a.c=c),aE(a),a.q=!1)}else 5==a.N&&(fE(a.Y),aE(a));0<a.N&&(a.C=!1,$D(a),a.kb=!0,TE(a.Y),lF(a.Y),cC(a),a.N=0,a.e=!1);if(RD&&(0!=a.Y.D||0!=a.Y.C))a.Y.D=0,a.Y.C=0,$D(a),a.kb=!0,cC(a);return!0}function $D(a){a.jb=!1;a.lb=!1;a.kb=!1} -function bC(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.zb=!1:-1<b.indexOf("rbutton")&&(a.zb=!0);-1<b.indexOf("nohydrogens")?a.Eb=!1:-1<b.indexOf("hydrogens")&&(a.Eb=!0);-1<b.indexOf("keephs")&&(a.M=!0);-1<b.indexOf("removehs")&&(a.M=!1);-1<b.indexOf("noquery")?a.xb=!1:-1<b.indexOf("query")&&(a.xb=!0);-1<b.indexOf(sf)?a.Ab=!1:-1<b.indexOf(Zf)&&(a.Ab=!0);-1<b.indexOf("noautoez")?a.o=!1:-1<b.indexOf("autoez")&&(a.o=!0);-1<b.indexOf("nostereo")?a.Ib=!1:-1<b.indexOf("stereo")&&(a.Ib=!0); 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e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function bF(a){var b,c,d,e,f,g,i,h,l,m,o,n,r;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])EF(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,EF(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){qq(a.k,"ERROR - cannot add aromatic spiro ring 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-b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]);e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;r=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(r=-r,m=0);n=a.I[b]+o*e-r*g;r=a.L[b]+r*e+o*g;for(d=1;d<=i;++d)fF(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=r+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)fF(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)kF(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&& -(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f=1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[BF(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f], -1<a.r[BF(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2;a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(I,q,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=L(K($C((a.I[b]+a.I[e])/2))),a.M[c]=L(K($C((a.L[b]+a.L[e])/ -2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;kF(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=L(K($C((a.I[a.G[a.t]]+a.I[a.H[a.t]])/ -2)));a.M[a.t]=L(K($C((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]?(kF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=L(K($C((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K($C((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(kF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=L(K($C((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K($C((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0< -h[f]&&(RE(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b];for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&DF(a,i);-1<l&&(a.C=l)} -function EF(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)fF(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function DF(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=hF(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)} -function BF(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function FF(a,b,c){var d,e,f,g;e=ch;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(Ks(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)Ks(c[d])&&!ys(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)Es(c[d],e)&&(b[d]=g,c[d]=ch,++f);if(f==a.s)break}return g==a.s} -function eE(a){var b,c,d;b=v(cE,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{dE(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;fE(a)}} -function dE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function aF(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=GF(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&qq(a.k,"Charge change not possible on this boron !");0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?qq(a.k,"Charge change not possible on this carbon !"):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?qq(a.k,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break;case 5:case 8:case 13:2<d?qq(a.k,"Charge change not possible on multibonded O or S !"):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:qq(a.k,"Charge change not possible on the halogen !");break;case 18:qq(a.k, -"Use X button to change charge on the X atom !")}} -function IE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(I,q,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(I,q,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&RE(a,c);eE(a);qq(a.k,"Smaller part(s) removed !");return 1} -function hF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function lF(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];TE(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),TE(a));4==a.r[d]&&(a.r[d]=1)}} -function AF(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 wC(a){var b;HF(a);b=a.r.length;a.J=v(I,q,-1,b,1);a.M=v(I,q,-1,b,1);fE(a);TE(a)} -function fF(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(I,q,-1,c,1),iD(a.b,b,a.b.length),a.b=b,b=v(I,q,-1,c,1),iD(a.z,b,a.z.length),a.z=b,b=v(I,q,-1,c,1),iD(a.w,b,a.w.length),a.w=b,b=v(I,q,-1,c,1),iD(a.d,b,a.d.length),a.d=b,b=v(is,k,1,c,0),iD(a.c,b,a.c.length),a.c=b,b=v(is,k,1,c,0),iD(a.n,b,a.n.length),a.n=b,b=v(cE,k,-1,c,1),iD(a.I,b,a.I.length),a.I=b,b=v(cE,k,-1,c,1),iD(a.L,b,a.L.length),a.L=b,b=Lr([c,7]),iD(a.F,b,a.F.length),a.F=b,c=v(I,q,-1,c,1),iD(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function BE(a,b,c,d,e,f){var g;g=L(K($C(a.I[b]-c/2)));f||(g-=d-c);a=L(K($C(a.L[b]-~~(e/2))));return new sy(g-1-2,a-2,d+1+4,e+4)} -function kF(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(I,q,-1,b,1),iD(a.G,c,a.G.length),a.G=c,c=v(I,q,-1,b,1),iD(a.H,c,a.H.length),a.H=c,c=v(I,q,-1,b,1),iD(a.r,c,a.r.length),a.r=c,c=v(I,q,-1,b,1),iD(a.A,c,a.A.length),a.A=c,c=v(I,q,-1,b,1),iD(a.J,c,a.J.length),a.J=c,c=v(I,q,-1,b,1),iD(a.M,c,a.M.length),a.M=c,b=v(is,k,1,b,0),iD(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function WE(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(MD(),aa);i+="JME 2013-04-10 "+new wD+"\n \n";i+=VE(a.s,3)+VE(a.t,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=nF(0.055999999999999994*(a.I[e]-c),10,4)+nF(0.055999999999999994*(g-a.L[e]),10,4)+nF(0,10,4);h=AE(a,e);1==h.length?h+=" ":2==h.length?h+=ea:3<h.length&&(h="Q "); -i+=ea+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&&(d=4-a.z[e]);h=" 0"+VE(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=VE(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:IF(a,e)&&(g=2),c=VE(a.G[e],3)+VE(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=VE(a.H[e],3)+VE(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=VE(a.H[e],3)+VE(a.G[e],3)),i+=c+VE(g,3)+VE(d,3)+" 0 0 0\n"; -for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+="M CHG 1"+VE(e,4)+VE(a.z[e],4)+aa);return i+"M END\n"} -function oF(a){var b,c,d,e,f,g,i,h,l,m,o,n,r,w,H,B,N,O,V,ca,M,ec,xc,Lf,wb,Hd,Id,Jd,hb,yc;o=v(I,q,-1,a.s+10,1);n=v(I,q,-1,a.s+10,1);l=v(I,q,-1,a.s+1,1);m=v(I,q,-1,7,1);wb=v(I,q,-1,a.s+1,1);w=v(JF,k,-1,a.s+1,2);H=v(JF,k,-1,a.t+1,2);ec=0;if(0==a.s)return j;IE(a,!0);Lf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Lf=!1;break}if(a.k.r&&Lf){KF(a);lF(a);LF(a,H);MF(a,w,H);var Db,ld,Se,Xb,ne,md,nd,db,JG,Ld,t,wa,jm,km,Nr,Ze,Ma,lm,mm,Bc,nm;Db=v(I,q,-1,a.s+1,1);ld=v(I,q,-1,a.s+1,1);db=v(NF,k,-1,a.s+1,3);var Or=a.s,om, -eh,Pr,Yf,mj,te,$e;mj=v(NF,k,-1,Or+2,3);te=v(I,q,-1,100,1);$e=5;Yf=0;te[0]=3;mj[1]=kh;mj[2]=lh;Pr=2;if(!(3>Or))for(;$e<te[Yf]*te[Yf];){eh=0;for(om=!0;om&&eh<=Yf&&$e>=te[eh]*te[eh];)0==$e%te[eh]?om=!1:++eh;if(om){mj[++Pr]=Hs($e);if(Pr>=Or)break;Yf<te.length-1&&(++Yf,te[Yf]=$e)}$e+=2}for(t=1;t<=a.s;++t){for(wa=mm=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(mm*=a.f[wa]);lm=a.b[t];18==lm&&(nm=a.n[t],md=nm.charCodeAt(0)-65+1,nd=0,1<nm.length&&(nd=nm.charCodeAt(1)-97),0>md&&(md=0),0>nd&&(nd=0),lm=28*md+nd); -Ze=0;-2>a.z[t]?Ze=1:-2==a.z[t]?Ze=2:-1==a.z[t]?Ze=3:1==a.z[t]?Ze=4:2==a.z[t]?Ze=5:2<a.z[t]&&(Ze=6);Bc=1;db[t]=Hs(mm);Bc*=126;db[t]=Cs(db[t],Hs(a.w[t]*Bc));Bc*=7;db[t]=Cs(db[t],Hs(Ze*Bc));Bc*=7;db[t]=Cs(db[t],Hs(lm*Bc));Bc*=783;db[t]=Cs(db[t],Hs(a.y[t]*Bc))}for(ne=0;!FF(a,Db,db);){Nr=!1;for(t=1;t<=a.s;++t)Db[t]!=ld[t]&&(ld[t]=Db[t],Nr=!0);if(Nr){for(t=1;t<=a.s;++t){db[t]=dh;for(wa=1;wa<=a.y[t];++wa)db[t]=Ls(db[t],mj[Db[a.F[t][wa]]])}ne=0}else if(0<ne){for(t=1;t<=a.s;++t)db[t]=dh;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Db[t]==Db[wa]){db[t]=kh;break a}}else{for(t=1;t<=a.s;++t){db[t]=dh;for(wa=1;wa<=a.y[t];++wa)Se=a.F[t][wa],db[t]=Ls(db[t],Hs(a.b[Se]*a.f[BF(a,t,Se)]))}ne=1}FF(a,Db,db);for(t=1;t<=a.s;++t)db[t]=Hs(ld[t]*a.s+Db[t])}for(t=1;t<=a.s;++t)ld[t]=Db[t];for(Ma=1;Ma<=a.s;++Ma)for(t=1;t<=a.s;++t)if(ld[t]==Ma){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[Ma];a.z[t]=a.z[Ma];a.I[t]=a.I[Ma];a.L[t]=a.L[Ma];a.y[t]=a.y[Ma];a.b[Ma]=a.b[0];a.z[Ma]=a.z[0]; -a.I[Ma]=a.I[0];a.L[Ma]=a.L[0];a.y[Ma]=a.y[0];ld[t]=ld[Ma];ld[Ma]=Ma;a.n[0]=a.n[t];a.n[t]=a.n[Ma];a.n[Ma]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[Ma];a.c[Ma]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[Ma];a.w[Ma]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Db[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Db[a.G[t]],a.H[t]=Db[a.H[t]],a.G[t]>a.H[t]&&(Ld=a.G[t],a.G[t]=a.H[t],a.H[t]=Ld,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){km=jm= -a.s;Xb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<jm?(jm=a.G[wa],km=a.H[wa],Xb=wa):a.G[wa]==jm&&a.H[wa]<km&&(km=a.H[wa],Xb=wa);Ld=a.G[t];a.G[t]=a.G[Xb];a.G[Xb]=Ld;Ld=a.H[t];a.H[t]=a.H[Xb];a.H[Xb]=Ld;Ld=a.r[t];a.r[t]=a.r[Xb];a.r[Xb]=Ld;Ld=a.A[t];a.A[t]=a.A[Xb];a.A[Xb]=Ld;JG=a.e[t];a.e[t]=a.e[Xb];a.e[Xb]=JG}wC(a);TE(a);LF(a,H);MF(a,w,H)}else{LF(a,H);a.f=v(I,q,-1,a.t+1,1);for(r=1;r<=a.t;++r)a.f[r]=a.r[r]}c=1;a.a=v(I,q,-1,a.s+1,1);yc=1;a.a[1]=1;for(ca=0;;){M=0;for(r=1;r<=a.y[c];++r)if(g=a.F[c][r],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=wb[c]){xc=!0;for(N=1;N<=ec;++N)if(o[N]==c&&n[N]==g||o[N]==g&&n[N]==c){xc=!1;break}xc&&(++ec,o[ec]=c,n[ec]=g)}}else m[++M]=g;if(0==M){if(yc==a.s)break;c=l[ca--]}else if(1==M)wb[m[1]]=c,c=m[1],a.a[c]=++yc;else{l[++ca]=c;e=0;for(r=1;r<=M;++r)if(h=BF(a,m[r],c),!H[h]){e=m[r];break}if(0==e)for(r=1;r<=M;++r)if(h=BF(a,m[r],c),2==a.f[h]||3==a.f[h]){e=m[r];break}0==e&&(e=m[1]);wb[e]=c;c=e;a.a[e]=++yc}}wb=v(I,q,-1,a.s+1,1);b=v(I,q,-1,a.s+1,1);O=v(JF,k,-1,a.s+1,2);Hd=v(JF,k,-1,a.s+1,2);f=yc=ca=0; -for(r=1;r<=a.s;++r)if(1==a.a[r]){c=r;break}a:for(;;){0<f&&(wb[c]=f);b[++yc]=c;for(a.a[c]=0;;){M=e=0;V=a.s+1;r=1;b:for(;r<=a.y[c];++r){g=a.F[c][r];for(B=1;B<=ec;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.a[g]&&(++M,a.a[g]<V&&(e=g,V=a.a[g]))}if(0==e){if(0==ca)break a;Hd[c]=!0;c=l[ca--]}else break}f=c;c=e;1<M&&(l[++ca]=f,O[e]=!0)}Id=v(I,q,-1,a.t+1,1);Jd=v(I,q,-1,a.s+1,1);if(a.k.Ib){var LG=wb,NK=ec,Qr,MG,fh,ue,Rr,Sr,Ka,nj,Tr;fh=v(I,q,-1,a.s+1,1);for(Ka=1;Ka<=a.s;++Ka)fh[b[Ka]]=Ka;Rr=v(JF, -k,-1,a.t+1,2);for(Ka=1;Ka<=a.s;++Ka)Qr=b[Ka],MG=LG[Qr],ue=BF(a,Qr,MG),0!=ue&&(OF(a,ue,fh,Id,H),Rr[ue]=!0);for(Ka=1;Ka<=a.t;++Ka)Rr[Ka]||OF(a,Ka,fh,Id,H);Ka=1;a:for(;Ka<=a.s;++Ka)if(!(2>a.y[Ka]||4<a.y[Ka])){Sr=Tr=0;for(nj=1;nj<=a.y[Ka];++nj){ue=BF(a,Ka,a.F[Ka][nj]);if(5==a.f[ue])continue a;1==a.r[ue]&&0!=PF(a,ue,Ka)&&++Tr;2==a.r[ue]&&(Sr=a.F[Ka][nj])}if(0!=Tr)if(0<Sr){var ga=a,OG=Ka,af=fh,Pc=Jd,gc=void 0,oj=void 0,Cc=void 0,ve=void 0,Dc=void 0,pm=void 0,qm=void 0,rm=void 0,Md=void 0,Qc=void 0,Rc=void 0, -Ur=void 0,pj=void 0,Nd=void 0,qj=void 0,we=void 0,rj=void 0,Vr=void 0,sj=void 0,xe=void 0,PG=void 0,bf=void 0,QG=void 0,Wr=void 0,tj=void 0,cf=void 0,Rc=1,oj=OG,gc=v(I,q,-1,ga.s+1,1);for(gc[1]=OG;;){Ur=!1;for(Qc=1;Qc<=ga.y[oj];++Qc)if(Cc=ga.F[oj][Qc],!(Cc==gc[1]||Cc==gc[Rc-1]))if(ve=BF(ga,oj,Cc),2==ga.r[ve]&&5!=ga.f[ve]){oj=gc[++Rc]=Cc;Ur=!0;break}if(!Ur)break}if(!(0==Rc%2||2>ga.y[gc[Rc]]||3<ga.y[gc[Rc]])){cf=gc[1];Dc=gc[~~((Rc+1)/2)];Md=gc[Rc];bf=xe=we=Nd=0;Wr=Vr=!1;for(Qc=1;Qc<=ga.y[cf];++Qc)Cc= -ga.F[cf][Qc],ve=BF(ga,cf,Cc),1!=ga.r[ve]||5==ga.f[ve]||(0==Nd?Nd=Cc:we=Cc);0<af[we]&&af[Nd]>af[we]&&(pm=Nd,Nd=we,we=pm);pj=Nd;0==Nd&&(pj=we,Vr=!0);for(Qc=1;Qc<=ga.y[Md];++Qc)Cc=ga.F[Md][Qc],ve=BF(ga,Md,Cc),1!=ga.r[ve]||5==ga.f[ve]||(0==xe?xe=Cc:bf=Cc);0<af[bf]&&af[xe]>af[bf]&&(pm=xe,xe=bf,bf=pm);sj=xe;0==xe&&(sj=bf,Wr=!0);qj=PF(ga,BF(ga,cf,Nd),cf);rj=PF(ga,BF(ga,cf,we),cf);PG=PF(ga,BF(ga,Md,xe),Md);QG=PF(ga,BF(ga,Md,bf),Md);1<(0>qj+rj?-(qj+rj):qj+rj)||0!=PG||0!=QG?qq(ga.k,"Bad stereoinfo on allene !"): -(qm=ga.I[gc[Rc-1]]-ga.I[Md],rm=ga.L[gc[Rc-1]]-ga.L[Md],tj=Math.sqrt(qm*qm+rm*rm),0.001>tj&&(tj=0.001),0<(ga.L[sj]-ga.L[gc[Rc-1]])*(qm/tj)-(ga.I[sj]-ga.I[gc[Rc-1]])*(rm/tj)?Pc[Dc]=1:Pc[Dc]=-1,Vr&&(Pc[Dc]*=-1),Wr&&(Pc[Dc]*=-1),pj==Nd&&0>qj&&(Pc[Dc]*=-1),pj==we&&0>rj&&(Pc[Dc]*=-1),af[pj]>af[sj]&&(Pc[Dc]*=-1))}}else b:{var qb=a,Wa=Ka,Xr=LG,RG=fh,SG=o,TG=n,OK=NK,sm=Jd,tm=void 0,Sc=void 0,Yr=void 0,gh=void 0,ya=void 0,hh=void 0,pd=void 0,uj=void 0,Od=void 0,Ob=void 0,da=void 0,ba=void 0,ye=void 0,um=void 0, -Tc=void 0,G=void 0,vm=void 0,ba=v(I,q,-1,4,1),um=v(I,q,-1,4,1),vj=void 0,Uc=void 0,wm=void 0,xm=void 0,Zr=void 0,wj=void 0,wj=-1;0<Xr[Wa]&&(ba[++wj]=Xr[Wa]);for(Uc=1;Uc<=OK;++Uc)SG[Uc]==Wa&&(ba[++wj]=TG[Uc]),TG[Uc]==Wa&&(ba[++wj]=SG[Uc]);for(Uc=wj+1;Uc<qb.y[Wa];++Uc){Zr=qb.s+1;wm=1;c:for(;wm<=qb.y[Wa];++wm){vj=qb.F[Wa][wm];for(xm=0;xm<Uc;++xm)if(vj==ba[xm])continue c;RG[vj]<Zr&&(Zr=RG[vj],ba[Uc]=vj)}}0==Xr[Wa]&&0<qb.w[Wa]?(ba[3]=ba[2],ba[2]=ba[1],ba[1]=ba[0],ba[0]=-1):0<qb.w[Wa]&&(ba[3]=ba[2],ba[2]= -ba[1],ba[1]=-1);for(ya=uj=hh=gh=vm=pd=Ob=0;4>ya;++ya)0>=ba[ya]||(tm=BF(qb,Wa,ba[ya]),um[ya]=PF(qb,tm,Wa),0<um[ya]?(++Ob,vm=ba[ya],hh=ba[ya]):0>um[ya]?(++pd,gh=ba[ya],hh=ba[ya]):uj=ba[ya]);Od=Ob+pd;G=v(I,q,-1,4,1);Tc=0;if(3==qb.y[Wa]){if(1==Ob&&1==pd||3==Od&&0<Ob&&0<pd){qq(qb.k,"Error in C3H stereospecification !");break b}ye=ba[0];1==Od?ye=hh:2==Od&&(ye=uj);da=zF(qb,Wa,ye,ba);G[0]=hh;G[1]=-1;G[2]=da[2];G[3]=da[1];0<Ob?Tc=1:Tc=-1}else if(4==qb.y[Wa])if(1==Od)da=zF(qb,Wa,hh,ba),G[0]=da[0],G[1]=da[3], -G[2]=da[2],G[3]=da[1],0<Ob?Tc=1:Tc=-1;else{ye=ba[0];1<uj&&(ye=uj);1==Ob?ye=vm:1==pd&&(ye=gh);da=zF(qb,Wa,ye,ba);Sc=v(I,q,-1,4,1);for(ya=0;4>ya;++ya)tm=BF(qb,Wa,da[ya]),Sc[ya]=PF(qb,tm,Wa);if(4==Od){if(0==Ob||0==pd){qq(qb.k,"Error in C4 stereospecification !");break b}if(1==Ob||1==pd)G[0]=da[0],G[1]=da[3],G[2]=da[2],G[3]=da[1],Tc=Sc[0];else{for(ya=0;4>ya;++ya)-1==Sc[ya]&&(Sc[ya]=0);Od=2}}else if(3==Od)if(3==Ob||3==pd)G[0]=da[0],G[1]=da[3],G[2]=da[2],G[3]=da[1],0<Ob?Tc=-1:Tc=1;else{1==Ob?Ob=Yr=1:pd= -Yr=-1;for(ya=0;4>ya;++ya)Sc[ya]==Yr&&(Sc[ya]=0);Od=2}if(2==Od)if(1==Ob&&1==pd)da[1]==gh?(da[1]=da[2],da[2]=da[3]):da[2]==gh&&(da[2]=da[3]),G[0]=vm,G[1]=gh,G[2]=da[2],G[3]=da[1],Tc=1;else{if(Sc[0]==Sc[1]||Sc[1]==Sc[2]){qq(qb.k,"Error in C4 stereospecification ! 2/0r");break b}0!=Sc[0]?(G[0]=da[0],G[1]=da[2],G[2]=da[1],G[3]=da[3]):(G[0]=da[1],G[1]=da[3],G[2]=da[2],G[3]=da[0]);1<Ob?Tc=1:Tc=-1}}var jb=void 0;ba[0]==G[1]?(jb=G[0],G[0]=G[1],G[1]=jb,jb=G[2],G[2]=G[3],G[3]=jb):ba[0]==G[2]?(jb=G[2],G[2]=G[0], -G[0]=jb,jb=G[1],G[1]=G[3],G[3]=jb):ba[0]==G[3]&&(jb=G[3],G[3]=G[0],G[0]=jb,jb=G[1],G[1]=G[2],G[2]=jb);ba[1]==G[2]?(jb=G[1],G[1]=G[2],G[2]=jb,jb=G[2],G[2]=G[3],G[3]=jb):ba[1]==G[3]&&(jb=G[1],G[1]=G[3],G[3]=jb,jb=G[2],G[2]=G[3],G[3]=jb);G[2]==ba[2]?sm[Wa]=1:G[2]==ba[3]?sm[Wa]=-1:qq(qb.k,"Error in stereoprocessing ! - t30");sm[Wa]*=Tc}}}hb=new hD;i=v(I,q,-1,a.s+1,1);for(r=1;r<=a.s;++r)i[b[r]]=r;for(r=1;r<=a.s;++r){c=b[r];O[c]&&bn(hb.a,ra);0<wb[r]&&QF(a,c,wb[c],hb,Id);var ih=w[c],Fb=void 0,xj=void 0, -jh=void 0,R=void 0,R=Nc,Fb=!1;0!=a.z[c]&&(Fb=!0);0!=Jd[c]&&(Fb=!0);jh=-1;for(xj=1;xj<=a.x;++xj)if(a.p[xj][0]==c){jh=a.p[xj][1];break}-1<jh&&(Fb=!0);a.k.Hb&&0<a.d[c]&&(Fb=!0,jh=1);switch(a.b[c]){case 2:R=Ab;break;case 3:ih?R="c":R=Eb;break;case 4:ih?(R=pf,0<a.w[c]&&(Fb=!0)):R=cc;break;case 5:ih?R="o":R=lc;break;case 7:ih?(R="p",0<a.w[c]&&(Fb=!0)):R=nc;break;case 8:ih?R=ig:R=Ac;break;case 13:ih?R=lg:R=Fc;Fb=!0;break;case 6:R=Gc;Fb=!0;break;case 9:R=Pb;break;case 10:R=Jb;break;case 11:R=Cb;break;case 12:R= -Vb;break;case 1:R=Tb;Fb=!0;break;case 19:R=oc;Fb=!0;break;case 20:R=pc;Fb=!0;break;case 21:R=qc;Fb=!0;break;case 22:R=rc;Fb=!0;break;case 18:Fb=!0,R=a.n[c],(E(R,ta)||E(R,Zc)||E(R,vb))&&(Fb=!1)}Fb&&(R=Oc+R,1==Jd[c]?R+=ub:-1==Jd[c]&&(R+="@@"),1==a.w[c]?R+=Tb:1<a.w[c]&&(R+=Tb+a.w[c]),0!=a.z[c]&&(0<a.z[c]?R+=ua:R+=za,1<Kj(a.z[c])&&(R+=Kj(a.z[c]))),-1<jh&&(R+=kb+jh),R+=Wc);bn(hb.a,R);for(B=1;B<=ec;++B)if(o[B]==c||n[B]==c)d=n[B],d==c&&(d=o[B]),i[c]<i[d]&&QF(a,o[B],n[B],hb,Id),9<B&&bn(hb.a,"%"),cn(hb,j+ -(new T(B)).a);Hd[c]&&bn(hb.a,sa)}return Rn(hb.a)} -function RE(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)nC(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function SE(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&RE(a,c);0==a.y[d]&&RE(a,d)} -function KF(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=BF(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&RE(a,c)}}}function HF(a){var b;b=a.b.length;a.F=Lr([b,7]);a.y=v(I,q,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function MF(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(I,q,-1,a.t+1,1);o=v(JF,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[BF(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:IF(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(JF,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function fE(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=L(K($C((a.I[b]+a.I[c])/2))),a.M[d]=L(K($C((a.L[b]+a.L[c])/2)))}function LF(a,b){var c;for(c=1;c<=a.t;++c)CE(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function AE(a,b){var c;c=(MD(),fC)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function IF(a,b){return 2==a.r[b]?!0:!1}function CE(a,b,c){var d,e,f,g;g=1;a.a=v(I,q,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function dF(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=Lr([b+5,2]),iD(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function dC(a){var b;a.x=0;a.q=0;oF(a);for(b=1;b<=a.s;++b)a.C=b,dF(a);a.C=0} -function QE(a){var b,c;b=v(cE,k,-1,4,1);dE(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function ZD(a,b){var c,d,e,f,g,i,h,l;c=v(cE,k,-1,4,1);dE(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;dE(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function mF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function UE(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&aD(c,Wc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(va)&&(f=!0);-1<c.indexOf(mb)&&(f=!0);-1<c.indexOf(ja)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(kb);e=c.indexOf(Tb);g=Jj(c.indexOf(ua),c.indexOf(za));if(-1<d){i=tu(c,d+1);try{a.k.x=vB(i,10)}catch(h){if(h=Di(h),y(h,73))a.k.x=0;else throw h;}a.C=b;dF(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=E(d,Eb)?3:E(d,Ab)?2:E(d,cc)?4:E(d,lc)?5:E(d,nc)?7:E(d,Ac)?8:E(d,Pb)?9:E(d,Jb)?10:E(d,Cb)?11:E(d,Vb)?12:E(d,Tb)?1:E(d,Fc)?13:E(d,Gc)?6:E(d,oc)?19:E(d,pc)?20:E(d,qc)?21:E(d,rc)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ea;d=0;0<e&&(d=1,e=JC(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=JC(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=JC(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=JC(c,g++);for(;45==e;)--d,e=JC(c,g++)}a.z[b]=d}}} -function iC(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new PB(b);try{for(;b.j=IB(b,b.a),b.j<b.i;)d=WC(vB(LB(b),10)).a,c=e=WC(vB(LB(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Di(f),y(f,73))$m(f);else throw f;}}function QF(a,b,c,d,e){b=BF(a,b,c);5!=a.f[b]&&IF(a,b)?bn(d.a,rb):3==a.r[b]?bn(d.a,ja):9==a.r[b]?(e=tb,a=a.e[b],null!=a&&(e=a),bn(d.a,e)):1==e[b]?bn(d.a,Va):-1==e[b]&&bn(d.a,Vc)} -function eF(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,qq(a.k,"Stereomarking meaningless on this bond !");else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:qq(a.k,"Stereomarking allowed only on single and double bonds!")} -function OF(a,b,c,d,e){var f,g,i,h,l,m,o,n,r;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=BF(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=BF(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=BF(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=BF(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,r=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=r?0-r:r))qq(a.k,"Not unique E/Z geometry !");else{i=BF(a,b,e);f=BF(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=BF(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<r||0>o&&0>r?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function GF(a,b){var c,d,e;e=0;for(d=1;d<=a.y[b];++d)if(c=BF(a,b,a.F[b][d]),1==a.r[c])e+=1;else if(IF(a,c))e+=2;else if(3==a.r[c])e+=3;else if(9==a.r[c])return-1;return e}function PF(a,b,c){var d;d=a.A[b];return 1>d||4<d?0:1==d&&a.G[b]==c?1:2==d&&a.G[b]==c?-1:3==d&&a.H[b]==c?1:4==d&&a.H[b]==c?-1:0} -function TE(a){var b;for(b=1;b<=a.s;++b){var c=a,d=b,e=void 0,e=GF(c,d);if(-1==e)c.w[d]=0;else{switch(c.b[d]){case 1:2==e?c.z[d]=1:c.z[d]=0;c.w[d]=0;break;case 2:3==e||5==e?(c.w[d]=0,c.z[d]=0):3>e?c.w[d]=3-e-c.z[d]:4==e?(c.z[d]=-1,c.w[d]=0):5<e&&(c.z[d]=e-5,c.w[d]=0);break;case 3:case 6:4>e?0<c.z[d]?c.w[d]=2-e+c.z[d]:0>c.z[d]?c.w[d]=2-e-c.z[d]:c.w[d]=4-e:(c.z[d]=e-4,c.w[d]=4-e+c.z[d]);break;case 4:case 7:3>e?c.w[d]=3-e+c.z[d]:3==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:(c.z[d]= -4==e?1:6==e?-1:e-5,c.w[d]=0);break;case 5:2==e&&(0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0);2<e&&(c.z[d]=e-2);c.w[d]=2-e+c.z[d];break;case 8:case 13:2>e?c.w[d]=2-e+c.z[d]:2==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:3==e?2==c.y[d]?(c.z[d]=0,c.w[d]=1):(c.z[d]=1,c.w[d]=0):4==e?(c.z[d]=0,c.w[d]=0):5==e?(c.z[d]=0,c.w[d]=1):(c.z[d]=e-6,c.w[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.z[d]=e-1);c.w[d]=1-e+c.z[d];2<e&&(c.z[d]=0,c.w[d]=0);break;case 19:case 18:c.w[d]= -0}0>c.w[d]&&(c.w[d]=0)}}}function gE(a){yF(this);this.k=a;this.x=this.t=this.s=0} -function 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f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,k,-1,9,1);l=v(H,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(mG(b,!1),nG(b,AG(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function GG(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,qE);XB(d,0,0,b,c);a.nb?(X(d,(jB(),oB)),c=13*(a.Y+a.S),lG(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,xB(qE)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,RF),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)kG(a,d,b,1),kG(a,d,b,2);a.c=c;xG(a.Ob,a.Lb,0,0)}} -function qG(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);pG(a,b,c+m-i,f,d-4-i-1,e,h)} -function HG(a,b){var c,d,e,f,g,i,h;vE(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=IG(b);h=new FD(b,g,!0);d=j;for(c=1;5>=c;++c)d=JG(h,g);c=ZE(mD(ko(d.substr(0,3)),10)).b;f=ZE(mD(ko(d.substr(3,3)),10)).b;JG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=JG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new KG(a,e)}eG(a,1,c,1);eG(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new KG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",QD(a),!1;null!=a.i&&a.Z&&kE(a.Z,a.i,!0);null!=a.j&& -a.Z&&kE(a.Z,a.j,!1);g=LG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new MG(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];eG(a,1,g,0)}QD(a);return!0} -function NG(a,b){var c,d,e,f,g,i,h,l;vE(a);c=f=0;l=new 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redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new bw("Cannot redo. Index is out of range."); -if(!d.b.d)throw new bw(ac);d.b=d.b.d;PG(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=Uu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(Tr(a,fc+(a.Db.b+1)+ca+a.Db.d),d=fF(d),lE(a,d,!1),null!=a.rb&&HD(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=Uu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(Tr(a,fc+(a.Db.b+1)+ca+a.Db.d),d=fF(d),lE(a,d,!1),null!=a.rb&&HD(a.rb,null));break;case 101:a.Gb&&GF(a.Gb);a.Gb=new QG(1,a);a.c=c;break;case 107:!a.zb?a.zb=new RG(a):a.zb.ac.d.hb?SG(a.zb.ac.d): -oE(a.zb);break;case 113:a.b&&GF(a.b);a.b=new QG(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,fE(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=TG(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(fG,r,-1,4,1);gG(a.Z,d);a.lb=!0;a.Z=new WF(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;AE(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,UG(a.Z,a.Z.D),a.Z.D=0,dG(a)):0<a.Z.E&&(a.lb=!0,VG(a.Z,a.Z.E), -a.Z.E=0,dG(a));WG(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new qC;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new iC(c),oC(i,g),g.d=c,DA(g.e,a);Cz(a,i);a.E=i}pC(a.E,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(GF(a.o),a.o=null);0==a.Z.D&&(a.o=new QG(2,a));a.d=18; -break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,dG(a)),18==a.d&&(d=xo((Ur(),Vr).ac.b.pb,dh),XG(a.Z,a.Z.D,d),dG(a)),WG(a.Z))}QD(a);return!0} -function qr(a){var b,c,d;d=CE(a);c=j;if(a.Bb){var e,f,g;g=At([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)TG(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(YG(g[1][0],3)+YG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+ZG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+ZG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new $G(a,a.fb,a.tb)),c=ZG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function aH(a,b,c,d){var e;e=c;var f=d,g,i;(g=bH(b),i=0!=(b.f&2),g||i)?(a.Bb?pC((!a.w&&(a.w=bE(a,!0)),a.w),a,e,f):pC((!a.v&&(a.v=bE(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=cH(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=cE+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",QD(a), -!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Xr(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)UG(a.Z,a.Z.D),a.Z.D=0,dG(a);else{if(106==a.c)return!0;if(108==a.c)dH(a.Z,a.Z.D,0),dG(a);else if(157==a.c)dH(a.Z,a.Z.D,1),dG(a);else if(158==a.c)dH(a.Z,a.Z.D,-1),dG(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):dG(a); -else if(206<=a.c&&229>=a.c)a.O=2,eH(a.Z),dG(a);else if(230==a.c)a.O=3,dG(a);else if(233<=a.c&&262>a.c)fH(a.Z,!1),dG(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;XG(a.Z,a.Z.D,xo(a.zb.f.ac.b.pb,dh));dG(a)}else if(105==a.c)gH(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=xo((Ur(),Vr).ac.b.pb,dh),1>d.length&&(d=Rc),XG(a.Z,a.Z.D,d)),dG(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,eH(a.Z),dG(a);else if(0<a.Z.E)if(104==a.c)VG(a.Z, -a.Z.E),a.Z.E=0,dG(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Tr(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;UG(d,c);d.b[c]=0}a.Z.E=0;dG(a)}else if(201==a.c)hH(a.Z,a.Z.E),dG(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),dG(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,dG(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,dG(a); -else if(206<=a.c&&229>=a.c)a.O=2,eH(a.Z),dG(a);else if(107==a.c){if(!a.zb.c)return!0;d=xo(a.zb.f.ac.b.pb,dh);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;dG(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new jG(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(iH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<= -a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,eH(a.Z)):300<a.c?(iH(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=xo((Ur(),Vr).ac.b.pb,dh),1>d.length&&(d=Rc),XG(a.Z,1,d))):230==a.c?jE(a,null):233<=a.c&&262>a.c?(iH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,fH(a.Z,!0)):ZC();dG(a)}else e=!1;e&&(WG(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,QD(a))}return e} -function jH(a,b,c,d){var e,f;if(a.z||!a.hb||bH(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=kH(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.j[b.v];l=b.j[b.v-1];i=b.J[g]-b.J[l];h=b.M[g]-b.M[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.J[l];n=f-b.M[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.v)UG(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.j[0]]&&(m=b.G[b.j[0]][1],m==b.j[1]&&(m=b.G[b.j[0]][2]),i=b.J[b.j[0]]-b.J[m],h=b.M[b.j[0]]-b.M[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.J[m],n=f-b.M[m],e=n*i-o*h,o=b.J[b.j[1]]-b.J[m],n=b.M[b.j[1]]-b.M[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.j[0],$(b,0),VG(b,e),0<kH(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){Tr(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;$(b,L(K(Math.round(h))));b.j[b.v]=b.t;0<kH(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;Tr(b.n,e+j)}else i=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(i/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(cH(b)||bH(b))bG(a.Z,e),a.O= -5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=v(fG,r,-1,4,1);gG(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.c-b.n.Y&&0<h&&h<b.n.C.b-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;cG(a);a.lb=!0;QD(a);a.Mb=c;a.Nb=d;return!0} -function lH(a,b,c,d){var e,f,g;if(!a.z&&!bH(b)){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.tb;++b){e=a.fb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((PF(),UF)?350:170)+1,n=1;n<=e.u;++n)l=i-e.K[n],m=h-e.N[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;0<a.fb[b].D&&null!=a.qb&&HD(a.qb,F(bF,r,122,[new R(a.e),new R(a.Z.D)]));break a}else if(0<a.fb[b].D||0< -a.fb[b].E)a.fb[b].D=0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.tb;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;cG(a);a.lb=!0;QD(a)}0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}} -function mH(a){if(a.z)return!0;a.jb=!1;a.P=nh;if(1==a.O){if(205==a.c){var b=a.Z,c,d;b.C&&(c=kH(b,b.t),6>b.z[c]&&(nH(b),d=b.j[b.v-1],b.H[b.u]=c,b.I[b.u]=d,b.G[c][++b.z[c]]=d,b.G[d][++b.z[d]]=c),UG(b,b.t));b.C=!1;dG(a)}else a:{var b=a.Z,e,f;c=kH(b,b.t);if(0!=c){--b.t;for(f=1;f<b.u;++f)if(d=b.H[f],e=b.I[f],d==c&&e==b.F||d==b.F&&e==c){--b.u;--b.z[b.F];3>b.s[f]?(++b.s[f],b.B[f]=0):Tr(b.n,"Maximum allowed bond order is 3 !");break a}6==b.z[c]?(--b.u,--b.z[b.F],Tr(b.n,"Not possible connection !")):(b.I[b.u]= -c,b.G[c][++b.z[c]]=b.F,b.G[b.F][b.z[b.F]]=c,b.K[b.u]=L(K(cF((b.J[b.F]+b.J[c])/2))),b.N[b.u]=L(K(cF((b.M[b.F]+b.M[c])/2))))}}iG(a.Z);a.r&&(b=a.$,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,MF(b),b.b.d=c),dG(a),a.r=!1)}else 5==a.O&&(iG(a.Z),dG(a));0<a.O&&(a.D=!1,cG(a),a.lb=!0,WG(a.Z),oH(a.Z),QD(a),a.O=0,a.f=!1);if(UF&&(0!=a.Z.E||0!=a.Z.D))a.Z.E=0,a.Z.D=0,cG(a),a.lb=!0,QD(a);return!0}function cG(a){a.kb=!1;a.mb=!1;a.lb=!1} -function eE(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Ab=!1:-1<b.indexOf("rbutton")&&(a.Ab=!0);-1<b.indexOf("nohydrogens")?a.Fb=!1:-1<b.indexOf("hydrogens")&&(a.Fb=!0);-1<b.indexOf("keephs")&&(a.N=!0);-1<b.indexOf("removehs")&&(a.N=!1);-1<b.indexOf("noquery")?a.yb=!1:-1<b.indexOf("query")&&(a.yb=!0);-1<b.indexOf(Kf)?a.Bb=!1:-1<b.indexOf(gg)&&(a.Bb=!0);-1<b.indexOf("noautoez")?a.p=!1:-1<b.indexOf("autoez")&&(a.p=!0);-1<b.indexOf("nostereo")?a.Jb=!1:-1<b.indexOf("stereo")&&(a.Jb=!0); 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-1;++a.z[a.D];nH(a);a.s[a.u]=1;203==a.n.c&&(a.s[a.u]=2);204==a.n.c&&(a.s[a.u]=3);a.H[a.u]=a.D;a.I[a.u]=a.t;201==a.n.c&&hH(a,a.u);a.G[a.t][1]=a.D;a.G[a.D][a.z[a.D]]=a.t;a.K[a.u]=L(K(cF((a.J[a.D]+a.J[a.t])/2)));a.N[a.u]=L(K(cF((a.M[a.D]+a.M[a.t])/2)));a.L=a.J[a.t];a.O=a.M[a.t]} -function fH(a,b){var c;a.F=a.D;c=0;if(233==a.n.c||237==a.n.c||236==a.n.c||239==a.n.c||251==a.n.c||252==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.p=!1,a.D=a.t-1,$(a,0),a.D=a.t-2,$(a,0),237==a.n.c&&(a.c[a.t]=10,a.c[a.t-1]=10,a.c[a.t-2]=10),236==a.n.c&&(a.c[a.t]=9,a.c[a.t-1]=9,a.c[a.t-2]=9),239==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=5,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),252==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=4,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),251==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t- -2]=5,a.c[a.t-3]=7,a.s[a.u]=2),c=4;else if(244==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.c[a.t]=8,a.D=a.t,a.p=!0,$(a,0),a.p=!1,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-2,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=5;else if(234==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,a.n.wb&&dH(a,a.D,1),$(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.n.wb?(a.s[a.u]=1,dH(a,a.t,-1)):a.s[a.u]=2,c=3;else if(235==a.n.c)$(a,0),a.D=a.t,$(a,0),a.c[a.t]=5,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(240==a.n.c)$(a,0),a.D= -a.t,$(a,0),a.c[a.t]=5,a.D=a.t,$(a,0),a.D=a.t-2,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)$(a,0),a.D=a.t,$(a,0),a.c[a.t]=4,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)$(a,0),a.c[a.t]=5,a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.D=a.t-1,$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=4;else if(243==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.D=a.t-1,$(a,0),c=3;else if(238==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.s[a.u]= -3,a.p=!1,c=2;else if(249==a.n.c)$(a,0),a.D=a.t,$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=2;else if(250==a.n.c)$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=1;else if(245==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.D=a.t,a.s[a.u]=3,$(a,0),a.p=!1,c=3;else if(242==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.s[a.u]=3,a.c[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)$(a,0),a.c[a.t]=9,c=1;else if(255==a.n.c)$(a,0),a.c[a.t]=10,c=1;else if(256==a.n.c)$(a,0),a.c[a.t]=11,c=1;else if(257==a.n.c)$(a,0),a.c[a.t]=12,c=1;else if(258==a.n.c)$(a,0),a.c[a.t]=4, -c=1;else if(259==a.n.c)$(a,0),a.c[a.t]=5,c=1;else if(246==a.n.c)$(a,0),a.D=a.t,$(a,0),c=2;else if(247==a.n.c)$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),c=3;else if(248==a.n.c)$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),c=4;else if(253==a.n.c){var d,e,f,g,i,h,l,m,o,n,q;if(a.n.Kb){c=0;m=a.n.Kb;for(l=1;l<=m.y;++l)d=m.q[l][0],1==m.q[l][1]&&(c=d);d=a.t;l=a.D;$(a,0);e=a.J[a.t];g=a.M[a.t];UG(a,a.t);e=a.J[l]-e;g=a.M[l]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=m.t;++h)iH(a),a.c[a.t]=m.c[h],a.A[a.t]=m.A[h], -a.x[a.t]=m.x[h],a.J[a.t]=m.J[h],a.M[a.t]=m.M[h];for(h=1;h<=m.u;++h)nH(a),a.H[a.u]=m.H[h]+d,a.I[a.u]=m.I[h]+d,a.s[a.u]=m.s[h];AE(a);a.D=c+d;$(a,0);m=a.J[a.t];n=a.M[a.t];UG(a,a.t);f=a.J[c+d]-m;i=a.M[c+d]-n;h=Math.sqrt(f*f+i*i);i/=h;f/=h;for(h=d+1;h<=a.t;++h)a.J[h]-=m,a.M[h]-=n,o=a.J[h]*f+a.M[h]*i,q=a.M[h]*f-a.J[h]*i,a.J[h]=o,a.M[h]=q,o=-a.J[h]*e+a.M[h]*g,q=-a.M[h]*e-a.J[h]*g,a.J[h]=o,a.M[h]=q,a.J[h]+=a.J[l],a.M[h]+=a.M[l];nH(a);a.H[a.u]=l;a.I[a.u]=c+d;AE(a);b&&(UG(a,l),hG(a))}c=4}FH(a,c);a.D=a.F;b&& -(a.D=0)} -function EH(a,b,c,d){var e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+ -c*g/h,d[1]=a.M[b]+c*i/h)} -function eH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])GH(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,$(a,0),a.D=a.t,GH(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Tr(a.n,"ERROR - cannot add aromatic spiro ring !");a.n.O=9; -return}for(d=1;d<=a.z[a.D];++d)if(b=a.s[DH(a,a.D,a.G[a.D][d])],2<d||1!=b){Tr(a.n,"ERROR - spiro ring not possible here !");a.n.O=9;return}b=v(fG,r,-1,2,1);EH(a,a.D,h,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)iH(a),o=f*d+1.5707963267948966,a.J[a.t]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*g)}else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!= -b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)iH(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)iH(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)nH(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[DH(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[DH(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(H,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(cF((a.J[b]+a.J[e])/2))),a.N[c]=L(K(cF((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;nH(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(K(cF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(K(cF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(nH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(K(cF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(cF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(nH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(K(cF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(cF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(UG(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&FH(a,i);-1<l&&(a.D=l)} -function GH(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)iH(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function FH(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=kH(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function DH(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function HH(a,b,c){var d,e,f,g;e=nh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(mu(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)mu(c[d])&&!au(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)gu(c[d],e)&&(b[d]=g,c[d]=nh,++f);if(f==a.t)break}return g==a.t} -function hG(a){var b,c,d;b=v(fG,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{gG(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;iG(a)}} -function gG(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function dH(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=IH(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&Tr(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Tr(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Tr(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Tr(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Tr(a.n,"Charge change not possible on the halogen !");break;case 18:Tr(a.n, -"Use X button to change charge on the X atom !")}} -function LG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&UG(a,c);hG(a);Tr(a.n,"Smaller part(s) removed !");return 1} -function kH(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function oH(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];WG(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),WG(a));4==a.s[d]&&(a.s[d]=1)}} -function CH(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 AE(a){var b;JH(a);b=a.s.length;a.K=v(H,k,-1,b,1);a.N=v(H,k,-1,b,1);iG(a);WG(a)} -function iH(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,k,-1,c,1),lF(a.c,b,a.c.length),a.c=b,b=v(H,k,-1,c,1),lF(a.A,b,a.A.length),a.A=b,b=v(H,k,-1,c,1),lF(a.x,b,a.x.length),a.x=b,b=v(H,k,-1,c,1),lF(a.e,b,a.e.length),a.e=b,b=v(Lt,r,1,c,0),lF(a.d,b,a.d.length),a.d=b,b=v(Lt,r,1,c,0),lF(a.o,b,a.o.length),a.o=b,b=v(fG,r,-1,c,1),lF(a.J,b,a.J.length),a.J=b,b=v(fG,r,-1,c,1),lF(a.M,b,a.M.length),a.M=b,b=At([c,7]),lF(a.G,b,a.G.length),a.G=b,c=v(H,k,-1,c,1),lF(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function EG(a,b,c,d,e,f){var g;g=L(K(cF(a.J[b]-c/2)));f||(g-=d-c);a=L(K(cF(a.M[b]-~~(e/2))));return new kA(g-1-2,a-2,d+1+4,e+4)} -function nH(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,k,-1,b,1),lF(a.H,c,a.H.length),a.H=c,c=v(H,k,-1,b,1),lF(a.I,c,a.I.length),a.I=c,c=v(H,k,-1,b,1),lF(a.s,c,a.s.length),a.s=c,c=v(H,k,-1,b,1),lF(a.B,c,a.B.length),a.B=c,c=v(H,k,-1,b,1),lF(a.K,c,a.K.length),a.K=c,c=v(H,k,-1,b,1),lF(a.N,c,a.N.length),a.N=c,b=v(Lt,r,1,b,0),lF(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function ZG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(PF(),aa);i+="JME 2013-04-10 "+new zF+"\n \n";i+=YG(a.t,3)+YG(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=qH(0.055999999999999994*(a.J[e]-c),10,4)+qH(0.055999999999999994*(g-a.M[e]),10,4)+qH(0,10,4);h=DG(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+YG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=YG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:KH(a,e)&&(g=2),c=YG(a.H[e],3)+YG(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=YG(a.I[e],3)+YG(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=YG(a.I[e],3)+YG(a.H[e],3)),i+=c+YG(g,3)+YG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+YG(e,4)+YG(a.A[e],4)+aa);return i+"M END\n"} -function rH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,O,Y,da,M,pc,Hc,kg,tb,Sd,Td,Ud,Va,Ic;o=v(H,k,-1,a.t+10,1);n=v(H,k,-1,a.t+10,1);l=v(H,k,-1,a.t+1,1);m=v(H,k,-1,7,1);tb=v(H,k,-1,a.t+1,1);w=v(LH,r,-1,a.t+1,2);G=v(LH,r,-1,a.u+1,2);pc=0;if(0==a.t)return j;LG(a,!0);kg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){kg=!1;break}if(a.n.s&&kg){MH(a);oH(a);NH(a,G);OH(a,w,G);var Eb,wd,lf,cc,De,xd,yd,db,QI,Xd,t,xa,Ym,Zm,Ys,sf,Na,$m,an,Lc,bn;Eb=v(H,k,-1,a.t+1,1);wd=v(H,k,-1,a.t+1,1);db=v(PH,r,-1,a.t+1,3);var Zs=a.t,cn, -Ch,$s,wg,Lj,Je,tf;Lj=v(PH,r,-1,Zs+2,3);Je=v(H,k,-1,100,1);tf=5;wg=0;Je[0]=3;Lj[1]=ph;Lj[2]=qh;$s=2;if(!(3>Zs))for(;tf<Je[wg]*Je[wg];){Ch=0;for(cn=!0;cn&&Ch<=wg&&tf>=Je[Ch]*Je[Ch];)0==tf%Je[Ch]?cn=!1:++Ch;if(cn){Lj[++$s]=ju(tf);if($s>=Zs)break;wg<Je.length-1&&(++wg,Je[wg]=tf)}tf+=2}for(t=1;t<=a.t;++t){for(xa=an=1;xa<=a.u;++xa)(a.H[xa]==t||a.I[xa]==t)&&(an*=a.i[xa]);$m=a.c[t];18==$m&&(bn=a.o[t],xd=bn.charCodeAt(0)-65+1,yd=0,1<bn.length&&(yd=bn.charCodeAt(1)-97),0>xd&&(xd=0),0>yd&&(yd=0),$m=28*xd+yd); -sf=0;-2>a.A[t]?sf=1:-2==a.A[t]?sf=2:-1==a.A[t]?sf=3:1==a.A[t]?sf=4:2==a.A[t]?sf=5:2<a.A[t]&&(sf=6);Lc=1;db[t]=ju(an);Lc*=126;db[t]=eu(db[t],ju(a.x[t]*Lc));Lc*=7;db[t]=eu(db[t],ju(sf*Lc));Lc*=7;db[t]=eu(db[t],ju($m*Lc));Lc*=783;db[t]=eu(db[t],ju(a.z[t]*Lc))}for(De=0;!HH(a,Eb,db);){Ys=!1;for(t=1;t<=a.t;++t)Eb[t]!=wd[t]&&(wd[t]=Eb[t],Ys=!0);if(Ys){for(t=1;t<=a.t;++t){db[t]=oh;for(xa=1;xa<=a.z[t];++xa)db[t]=nu(db[t],Lj[Eb[a.G[t][xa]]])}De=0}else if(0<De){for(t=1;t<=a.t;++t)db[t]=oh;t=1;a:for(;t<=a.t- -1;++t)for(xa=t+1;xa<=a.t;++xa)if(Eb[t]==Eb[xa]){db[t]=ph;break a}}else{for(t=1;t<=a.t;++t){db[t]=oh;for(xa=1;xa<=a.z[t];++xa)lf=a.G[t][xa],db[t]=nu(db[t],ju(a.c[lf]*a.i[DH(a,t,lf)]))}De=1}HH(a,Eb,db);for(t=1;t<=a.t;++t)db[t]=ju(wd[t]*a.t+Eb[t])}for(t=1;t<=a.t;++t)wd[t]=Eb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(wd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];wd[t]=wd[Na];wd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Eb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Eb[a.H[t]],a.I[t]=Eb[a.I[t]],a.H[t]>a.I[t]&&(Xd=a.H[t],a.H[t]=a.I[t],a.I[t]=Xd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Zm=Ym= -a.t;cc=0;for(xa=t;xa<=a.u;++xa)a.H[xa]<Ym?(Ym=a.H[xa],Zm=a.I[xa],cc=xa):a.H[xa]==Ym&&a.I[xa]<Zm&&(Zm=a.I[xa],cc=xa);Xd=a.H[t];a.H[t]=a.H[cc];a.H[cc]=Xd;Xd=a.I[t];a.I[t]=a.I[cc];a.I[cc]=Xd;Xd=a.s[t];a.s[t]=a.s[cc];a.s[cc]=Xd;Xd=a.B[t];a.B[t]=a.B[cc];a.B[cc]=Xd;QI=a.f[t];a.f[t]=a.f[cc];a.f[cc]=QI}AE(a);WG(a);NH(a,G);OH(a,w,G)}else{NH(a,G);a.i=v(H,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,k,-1,a.t+1,1);Ic=1;a.b[1]=1;for(da=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=tb[c]){Hc=!0;for(J=1;J<=pc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Hc=!1;break}Hc&&(++pc,o[pc]=c,n[pc]=g)}}else m[++M]=g;if(0==M){if(Ic==a.t)break;c=l[da--]}else if(1==M)tb[m[1]]=c,c=m[1],a.b[c]=++Ic;else{l[++da]=c;e=0;for(q=1;q<=M;++q)if(h=DH(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=DH(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);tb[e]=c;c=e;a.b[e]=++Ic}}tb=v(H,k,-1,a.t+1,1);b=v(H,k,-1,a.t+1,1);O=v(LH,r,-1,a.t+1,2);Sd=v(LH,r,-1,a.t+1,2);f=Ic=da=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(tb[c]=f);b[++Ic]=c;for(a.b[c]=0;;){M=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=pc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++M,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Sd[c]=!0;c=l[da--]}else break}f=c;c=e;1<M&&(l[++da]=f,O[e]=!0)}Td=v(H,k,-1,a.u+1,1);Ud=v(H,k,-1,a.t+1,1);if(a.n.Jb){var SI=tb,$M=pc,at,TI,Dh,Ke,bt,ct,Ma,Mj,dt;Dh=v(H,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)Dh[b[Ma]]=Ma;bt=v(LH, -r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)at=b[Ma],TI=SI[at],Ke=DH(a,at,TI),0!=Ke&&(QH(a,Ke,Dh,Td,G),bt[Ke]=!0);for(Ma=1;Ma<=a.u;++Ma)bt[Ma]||QH(a,Ma,Dh,Td,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){ct=dt=0;for(Mj=1;Mj<=a.z[Ma];++Mj){Ke=DH(a,Ma,a.G[Ma][Mj]);if(5==a.i[Ke])continue a;1==a.s[Ke]&&0!=RH(a,Ke,Ma)&&++dt;2==a.s[Ke]&&(ct=a.G[Ma][Mj])}if(0!=dt)if(0<ct){var ia=a,VI=Ma,uf=Dh,Yc=Ud,rc=void 0,Nj=void 0,Mc=void 0,Le=void 0,Nc=void 0,dn=void 0,en=void 0,fn=void 0,Yd=void 0,Zc=void 0,$c=void 0, -et=void 0,Oj=void 0,Zd=void 0,Pj=void 0,Me=void 0,Qj=void 0,ft=void 0,Rj=void 0,Ne=void 0,WI=void 0,vf=void 0,XI=void 0,gt=void 0,Sj=void 0,wf=void 0,$c=1,Nj=VI,rc=v(H,k,-1,ia.t+1,1);for(rc[1]=VI;;){et=!1;for(Zc=1;Zc<=ia.z[Nj];++Zc)if(Mc=ia.G[Nj][Zc],!(Mc==rc[1]||Mc==rc[$c-1]))if(Le=DH(ia,Nj,Mc),2==ia.s[Le]&&5!=ia.i[Le]){Nj=rc[++$c]=Mc;et=!0;break}if(!et)break}if(!(0==$c%2||2>ia.z[rc[$c]]||3<ia.z[rc[$c]])){wf=rc[1];Nc=rc[~~(($c+1)/2)];Yd=rc[$c];vf=Ne=Me=Zd=0;gt=ft=!1;for(Zc=1;Zc<=ia.z[wf];++Zc)Mc= -ia.G[wf][Zc],Le=DH(ia,wf,Mc),1!=ia.s[Le]||5==ia.i[Le]||(0==Zd?Zd=Mc:Me=Mc);0<uf[Me]&&uf[Zd]>uf[Me]&&(dn=Zd,Zd=Me,Me=dn);Oj=Zd;0==Zd&&(Oj=Me,ft=!0);for(Zc=1;Zc<=ia.z[Yd];++Zc)Mc=ia.G[Yd][Zc],Le=DH(ia,Yd,Mc),1!=ia.s[Le]||5==ia.i[Le]||(0==Ne?Ne=Mc:vf=Mc);0<uf[vf]&&uf[Ne]>uf[vf]&&(dn=Ne,Ne=vf,vf=dn);Rj=Ne;0==Ne&&(Rj=vf,gt=!0);Pj=RH(ia,DH(ia,wf,Zd),wf);Qj=RH(ia,DH(ia,wf,Me),wf);WI=RH(ia,DH(ia,Yd,Ne),Yd);XI=RH(ia,DH(ia,Yd,vf),Yd);1<(0>Pj+Qj?-(Pj+Qj):Pj+Qj)||0!=WI||0!=XI?Tr(ia.n,"Bad stereoinfo on allene !"): -(en=ia.J[rc[$c-1]]-ia.J[Yd],fn=ia.M[rc[$c-1]]-ia.M[Yd],Sj=Math.sqrt(en*en+fn*fn),0.001>Sj&&(Sj=0.001),0<(ia.M[Rj]-ia.M[rc[$c-1]])*(en/Sj)-(ia.J[Rj]-ia.J[rc[$c-1]])*(fn/Sj)?Yc[Nc]=1:Yc[Nc]=-1,ft&&(Yc[Nc]*=-1),gt&&(Yc[Nc]*=-1),Oj==Zd&&0>Pj&&(Yc[Nc]*=-1),Oj==Me&&0>Qj&&(Yc[Nc]*=-1),uf[Oj]>uf[Rj]&&(Yc[Nc]*=-1))}}else b:{var sc=a,tc=Ma,aN=SI,bN=Dh,cN=o,dN=n,eN=$M,gn=Ud,hn=void 0,ad=void 0,ht=void 0,Eh=void 0,Ba=void 0,Fh=void 0,Ad=void 0,Tj=void 0,$d=void 0,Pb=void 0,ea=void 0,Gb=void 0,Oe=void 0,jn=void 0, -bd=void 0,ma=void 0,kn=void 0,Gb=v(H,k,-1,4,1),jn=v(H,k,-1,4,1),Gh=sc,ae=tc,YI=bN,it=aN,ZI=cN,$I=dN,fN=eN,Hb=Gb,Uj=void 0,cd=void 0,ln=void 0,mn=void 0,jt=void 0,Vj=void 0,Vj=-1;0<it[ae]&&(Hb[++Vj]=it[ae]);for(cd=1;cd<=fN;++cd)ZI[cd]==ae&&(Hb[++Vj]=$I[cd]),$I[cd]==ae&&(Hb[++Vj]=ZI[cd]);for(cd=Vj+1;cd<Gh.z[ae];++cd){jt=Gh.t+1;ln=1;c:for(;ln<=Gh.z[ae];++ln){Uj=Gh.G[ae][ln];for(mn=0;mn<cd;++mn)if(Uj==Hb[mn])continue c;YI[Uj]<jt&&(jt=YI[Uj],Hb[cd]=Uj)}}0==it[ae]&&0<Gh.x[ae]?(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]= -Hb[0],Hb[0]=-1):0<Gh.x[ae]&&(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=-1);for(Ba=Tj=Fh=Eh=kn=Ad=Pb=0;4>Ba;++Ba)0>=Gb[Ba]||(hn=DH(sc,tc,Gb[Ba]),jn[Ba]=RH(sc,hn,tc),0<jn[Ba]?(++Pb,kn=Gb[Ba],Fh=Gb[Ba]):0>jn[Ba]?(++Ad,Eh=Gb[Ba],Fh=Gb[Ba]):Tj=Gb[Ba]);$d=Pb+Ad;ma=v(H,k,-1,4,1);bd=0;if(3==sc.z[tc]){if(1==Pb&&1==Ad||3==$d&&0<Pb&&0<Ad){Tr(sc.n,"Error in C3H stereospecification !");break b}Oe=Gb[0];1==$d?Oe=Fh:2==$d&&(Oe=Tj);ea=BH(sc,tc,Oe,Gb);ma[0]=Fh;ma[1]=-1;ma[2]=ea[2];ma[3]=ea[1];0<Pb?bd=1:bd=-1}else if(4==sc.z[tc])if(1== -$d)ea=BH(sc,tc,Fh,Gb),ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],0<Pb?bd=1:bd=-1;else{Oe=Gb[0];1<Tj&&(Oe=Tj);1==Pb?Oe=kn:1==Ad&&(Oe=Eh);ea=BH(sc,tc,Oe,Gb);ad=v(H,k,-1,4,1);for(Ba=0;4>Ba;++Ba)hn=DH(sc,tc,ea[Ba]),ad[Ba]=RH(sc,hn,tc);if(4==$d){if(0==Pb||0==Ad){Tr(sc.n,"Error in C4 stereospecification !");break b}if(1==Pb||1==Ad)ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],bd=ad[0];else{for(Ba=0;4>Ba;++Ba)-1==ad[Ba]&&(ad[Ba]=0);$d=2}}else if(3==$d)if(3==Pb||3==Ad)ma[0]=ea[0],ma[1]=ea[3],ma[2]= -ea[2],ma[3]=ea[1],0<Pb?bd=-1:bd=1;else{1==Pb?Pb=ht=1:Ad=ht=-1;for(Ba=0;4>Ba;++Ba)ad[Ba]==ht&&(ad[Ba]=0);$d=2}if(2==$d)if(1==Pb&&1==Ad)ea[1]==Eh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==Eh&&(ea[2]=ea[3]),ma[0]=kn,ma[1]=Eh,ma[2]=ea[2],ma[3]=ea[1],bd=1;else{if(ad[0]==ad[1]||ad[1]==ad[2]){Tr(sc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=ad[0]?(ma[0]=ea[0],ma[1]=ea[2],ma[2]=ea[1],ma[3]=ea[3]):(ma[0]=ea[1],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[0]);1<Pb?bd=1:bd=-1}}var W=ma,Wj=Gb,kb=void 0;Wj[0]==W[1]?(kb= -W[0],W[0]=W[1],W[1]=kb,kb=W[2],W[2]=W[3],W[3]=kb):Wj[0]==W[2]?(kb=W[2],W[2]=W[0],W[0]=kb,kb=W[1],W[1]=W[3],W[3]=kb):Wj[0]==W[3]&&(kb=W[3],W[3]=W[0],W[0]=kb,kb=W[1],W[1]=W[2],W[2]=kb);Wj[1]==W[2]?(kb=W[1],W[1]=W[2],W[2]=kb,kb=W[2],W[2]=W[3],W[3]=kb):Wj[1]==W[3]&&(kb=W[1],W[1]=W[3],W[3]=kb,kb=W[2],W[2]=W[3],W[3]=kb);ma[2]==Gb[2]?gn[tc]=1:ma[2]==Gb[3]?gn[tc]=-1:Tr(sc.n,"Error in stereoprocessing ! - t30");gn[tc]*=bd}}}Va=new kF;i=v(H,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -O[c]&&(Va.b.b+=ua);0<tb[q]&&SH(a,c,tb[c],Va,Td);var Hh=w[c],Ib=void 0,Xj=void 0,Ih=void 0,T=void 0,T=Rc,Ib=!1;0!=a.A[c]&&(Ib=!0);0!=Ud[c]&&(Ib=!0);Ih=-1;for(Xj=1;Xj<=a.y;++Xj)if(a.q[Xj][0]==c){Ih=a.q[Xj][1];break}-1<Ih&&(Ib=!0);a.n.Ib&&0<a.e[c]&&(Ib=!0,Ih=1);switch(a.c[c]){case 2:T=Ab;break;case 3:Hh?T="c":T=Fb;break;case 4:Hh?(T=Hf,0<a.x[c]&&(Ib=!0)):T=gc;break;case 5:Hh?T="o":T=nc;break;case 7:Hh?(T="p",0<a.x[c]&&(Ib=!0)):T=qc;break;case 8:Hh?T=sg:T=Ec;break;case 13:Hh?T=xg:T=Gc;Ib=!0;break;case 6:T= -Jc;Ib=!0;break;case 9:T=Tb;break;case 10:T=Mb;break;case 11:T=Db;break;case 12:T=Zb;break;case 1:T=Xb;Ib=!0;break;case 19:T=uc;Ib=!0;break;case 20:T=vc;Ib=!0;break;case 21:T=wc;Ib=!0;break;case 22:T=xc;Ib=!0;break;case 18:Ib=!0,T=a.o[c],(D(T,wa)||D(T,Wc)||D(T,wb))&&(Ib=!1)}Ib&&(T=Sc+T,1==Ud[c]?T+=ub:-1==Ud[c]&&(T+=vb),1==a.x[c]?T+=Xb:1<a.x[c]&&(T+=Xb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=ya:T+=Ca,1<$j(a.A[c])&&(T+=$j(a.A[c]))),-1<Ih&&(T+=mb+Ih),T+=Uc);zn(Va.b,T);for(A=1;A<=pc;++A)if(o[A]==c||n[A]==c)d= -n[A],d==c&&(d=o[A]),i[c]<i[d]&&SH(a,o[A],n[A],Va,Td),9<A&&(Va.b.b+="%"),yn(Va,j+(new R(A)).b);Sd[c]&&(Va.b.b+=va)}return Va.b.b} -function UG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)rE(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function VG(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&UG(a,c);0==a.z[d]&&UG(a,d)} -function MH(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=DH(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&UG(a,c)}}}function JH(a){var b;b=a.c.length;a.G=At([b,7]);a.z=v(H,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function OH(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,k,-1,a.u+1,1);o=v(LH,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[DH(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:KH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(LH,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function iG(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(cF((a.J[b]+a.J[c])/2))),a.N[d]=L(K(cF((a.M[b]+a.M[c])/2)))}function NH(a,b){var c;for(c=1;c<=a.u;++c)FG(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function DG(a,b){var c;c=(PF(),hE)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function KH(a,b){return 2==a.s[b]?!0:!1}function FG(a,b,c){var d,e,f,g;g=1;a.b=v(H,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function gH(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=At([b+5,2]),lF(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function fE(a){var b;a.y=0;a.r=0;rH(a);for(b=1;b<=a.t;++b)a.D=b,gH(a);a.D=0} -function TG(a){var b,c;b=v(fG,r,-1,4,1);gG(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function bG(a,b){var c,d,e,f,g,i,h,l;c=v(fG,r,-1,4,1);gG(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;gG(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function pH(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function XG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Sc)&&eF(c,Uc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Xb);g=Zj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=so(c,d+1);try{a.n.y=mD(i,10)}catch(h){if(h=Ti(h),y(h,119))a.n.y=0;else throw h;}a.D=b;gH(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Fb)?3:D(d,Ab)?2:D(d,gc)?4:D(d,nc)?5:D(d,qc)?7:D(d,Ec)?8:D(d,Tb)?9:D(d,Mb)?10:D(d,Db)?11:D(d,Zb)?12:D(d,Xb)?1:D(d,Gc)?13:D(d,Jc)?6:D(d,uc)?19:D(d,vc)?20:D(d,wc)?21:D(d,xc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=dF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=dF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=dF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=dF(c,g++);for(;45==e;)--d,e=dF(c,g++)}a.A[b]=d}}} -function kE(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new GD(b);try{for(;b.k=zD(b,b.b),b.k<b.j;)d=ZE(mD(CD(b),10)).b,c=e=ZE(mD(CD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Ti(f),y(f,119))wn(f);else throw f;}}function SH(a,b,c,d,e){b=DH(a,b,c);5!=a.i[b]&&KH(a,b)?d.b.b+=qb:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=sb,a=a.f[b],null!=a&&(e=a),zn(d.b,e)):1==e[b]?d.b.b+=Ya:-1==e[b]&&(d.b.b+=Tc)} -function hH(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Tr(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Tr(a.n,"Stereomarking allowed only on single and double bonds!")} -function QH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=DH(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=DH(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=DH(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=DH(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Tr(a.n,"Not unique E/Z geometry !");else{i=DH(a,b,e);f=DH(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=DH(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function IH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=DH(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(KH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function RH(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function WG(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=IH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function jG(a){AH(this);this.n=a;this.y=this.u=this.t=0} -function KG(a,b){var c,d,e,f,g,i,h;jG.call(this,a);f=j;i=IG(b);if(null!=i){h=new FD(b,i,!0);for(e=1;4>=e;++e)f=JG(h,i);g=ZE(mD(ko(f.substr(0,3)),10)).b;c=ZE(mD(ko(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)iH(this),f=JG(h,i),this.J[e]=(new YE(VE(ko(f.substr(0,10))))).b,this.M[e]=-(new YE(VE(ko(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=ko(f.substr(31,d-31)),XG(this,e,d),62<=f.length&&(f=ko(f.substr(60,3)),0<f.length&&(f=ZE(mD(f,10)).b,0<f&&(this.D=e,a.y=f,gH(this),this.D=0)));for(e=1;e<=c;++e)nH(this), -f=JG(h,i),this.H[e]=ZE(mD(ko(f.substr(0,3)),10)).b,this.I[e]=ZE(mD(ko(f.substr(3,3)),10)).b,g=ZE(mD(ko(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=ZE(mD(ko(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);JH(this);pH(this);hG(this);for(AE(this);(h.k=zD(h,h.b),h.k<h.j)&&!(null==(f=CD(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new ED(f);CD(g);CD(g);i=ZE(mD(CD(g),10)).b; -for(e=1;e<=i;++e)c=ZE(mD(CD(g),10)).b,this.A[c]=ZE(mD(CD(g),10)).b}if(0==f.indexOf("M APO")){g=new ED(f);CD(g);CD(g);i=ZE(mD(CD(g),10)).b;for(e=1;e<=i;++e)c=ZE(mD(CD(g),10)).b,f=ZE(mD(CD(g),10)).b,this.D=c,$(this,0),XG(this,this.t,uc+f),this.D=0}}MH(this);AE(this)}} -function zE(a,b){var c,d,e,f,g;jG.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));eF(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new ED(b);d=ZE(mD(CD(f),10)).b;e=ZE(mD(CD(f),10)).b;for(c=1;c<=d;++c)g=CD(f),iH(this),XG(this,this.t,g),this.J[c]=(new YE(VE(CD(f)))).b,this.M[c]=-(new YE(VE(CD(f)))).b;for(c=1;c<=e;++c)if(nH(this),this.H[c]=ZE(mD(CD(f),10)).b,this.I[c]=ZE(mD(CD(f),10)).b,this.s[c]=ZE(mD(CD(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else if(11==this.s[c]||12==this.s[c]||13==this.s[c]||14==this.s[c])this.B[c]=this.s[c],this.s[c]=9;JH(this);pH(this);hG(this)}catch(i){i=Ti(i);if(y(i,119)){i.Bc();this.t=0;return}throw i;}MH(this);AE(this)}} -function MG(a,b,c){var d,e,f;jG.call(this,a);f=v(H,k,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.b[a]==c&&(iH(this),this.c[this.t]=b.c[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.e[this.t]=b.e[a],this.d[this.t]=b.d[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))nH(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.f[this.u]=b.f[a];for(a= -1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.k=b.k;AE(this);hG(this)} -function $G(a,b,c){var d,e,f,g,i;jG.call(this,a);for(a=1;a<=c;++a)this.t+=b[a].t,this.u+=b[a].u,this.y+=b[a].y;this.c=v(H,k,-1,this.t+1,1);this.A=v(H,k,-1,this.t+1,1);this.x=v(H,k,-1,this.t+1,1);this.e=v(H,k,-1,this.t+1,1);this.d=v(Lt,r,1,this.t+1,0);this.J=v(fG,r,-1,this.t+1,1);this.M=v(fG,r,-1,this.t+1,1);this.o=v(Lt,r,1,this.t+1,0);this.H=v(H,k,-1,this.u+1,1);this.I=v(H,k,-1,this.u+1,1);this.s=v(H,k,-1,this.u+1,1);this.f=v(Lt,r,1,this.u+1,0);this.B=v(H,k,-1,this.u+1,1);this.q=At([this.y+1,2]); -f=i=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].t;++d)++e,this.c[e]=b[a].c[d],this.J[e]=b[a].J[d],this.M[e]=b[a].M[d],this.A[e]=b[a].A[d],this.x[e]=b[a].x[d],this.e[e]=b[a].e[d],this.d[e]=b[a].d[d],this.o[e]=b[a].o[d];for(d=1;d<=b[a].u;++d)++g,this.s[g]=b[a].s[d],this.B[g]=b[a].B[d],this.H[g]=b[a].H[d]+f,this.I[g]=b[a].I[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].y;++d)++i,this.q[i][0]=b[a].q[d][0]+f,this.q[i][1]=b[a].q[d][1];f=e}AE(this);hG(this)} -function WF(a){var 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f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(G,k,-1,9,1);l=v(G,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(WE(b,!1),XE(b,jF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Y(b,h[0],l[0],h[1],l[1]);Y(b,h[2],l[2],h[3],l[3]);Y(b,h[4],l[4],h[5],l[5])}} -function pF(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,$C);VA(d,0,0,b,c);a.nb?(X(d,(hA(),mA)),c=13*(a.Y+a.S),VE(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,vA($C)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,AE),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)UE(a,d,b,1),UE(a,d,b,2);a.c=c;gF(a.Ob,a.Lb,0,0)}} -function $E(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Y(a,i,n,f,h);Y(a,g,n,f,h);i=~~(l/3);Y(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);ZE(a,b,c+m-i,f,d-4-i-1,e,h)} -function qF(a,b){var c,d,e,f,g,i,h;eD(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=rF(b);h=new BC(b,g,!0);d=j;for(c=1;5>=c;++c)d=sF(h,g);c=ID(iC(Yn(d.substr(0,3)),10)).b;f=ID(iC(Yn(d.substr(3,3)),10)).b;sF(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=sF(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new tF(a,e)}OE(a,1,c,1);OE(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new tF(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",QC(a),!1;null!=a.i&&a.Z&&WC(a.Z,a.i,!0);null!=a.j&& -a.Z&&WC(a.Z,a.j,!1);g=uF(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new vF(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];OE(a,1,g,0)}QC(a);return!0} -function wF(a,b){var c,d,e,f,g,i,h,l;eD(a);c=f=0;l=new 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104:0<a.Z.D?(a.lb=!0,DF(a.Z,a.Z.D),a.Z.D=0,NE(a)):0<a.Z.E&&(a.lb=!0,EF(a.Z,a.Z.E), -a.Z.E=0,NE(a));FF(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new nB;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new gB(c),mB(i,g),g.d=c,Bz(g.e,a);Ay(a,i);a.E=i}GF(a.E.b,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(pE(a.o),a.o=null);0==a.Z.D&&(a.o=new zF(2,a));a.d= -18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,NE(a)),18==a.d&&(d=lo((Uq(),Vq).ac.b.pb,Vg),HF(a.Z,a.Z.D,d),NE(a)),FF(a.Z))}QC(a);return!0} -function Pq(a){var b,c,d;d=lD(a);c=j;if(a.Bb){var e,f,g;g=ns([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)CF(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(IF(g[1][0],3)+IF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+JF(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+JF(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new KF(a,a.fb,a.tb)),c=JF(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function LF(a,b,c,d){var e;e=c;var f=d,g,i;(g=MF(b),i=0!=(b.f&2),g||i)?(g=a.Bb?(!a.w&&(a.w=MC(a,!0)),a.w):(!a.v&&(a.v=MC(a,!1)),a.v),GF(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=NF(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;13>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=NC+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",QC(a),!0; -if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Xq(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)DF(a.Z,a.Z.D),a.Z.D=0,NE(a);else{if(106==a.c)return!0;if(108==a.c)OF(a.Z,a.Z.D,0),NE(a);else if(157==a.c)OF(a.Z,a.Z.D,1),NE(a);else if(158==a.c)OF(a.Z,a.Z.D,-1),NE(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,Z(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):NE(a);else if(206<= -a.c&&229>=a.c)a.O=2,PF(a.Z),NE(a);else if(230==a.c)a.O=3,NE(a);else if(233<=a.c&&262>a.c)QF(a.Z,!1),NE(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;HF(a.Z,a.Z.D,lo(a.zb.f.ac.b.pb,Vg));NE(a)}else if(105==a.c)RF(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=lo((Uq(),Vq).ac.b.pb,Vg),1>d.length&&(d=Nc),HF(a.Z,a.Z.D,d)),NE(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,PF(a.Z),NE(a);else if(0<a.Z.E)if(104==a.c)EF(a.Z,a.Z.E),a.Z.E= -0,NE(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Tq(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;DF(d,c);d.b[c]=0}a.Z.E=0;NE(a)}else if(201==a.c)SF(a.Z,a.Z.E),NE(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),NE(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,NE(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,NE(a);else if(206<= -a.c&&229>=a.c)a.O=2,PF(a.Z),NE(a);else if(107==a.c){if(!a.zb.c)return!0;d=lo(a.zb.f.ac.b.pb,Vg);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;NE(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new TE(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(TF(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,Z(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c? -(a.Z.L=c,a.Z.O=d,a.O=2,PF(a.Z)):300<a.c?(TF(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=lo((Uq(),Vq).ac.b.pb,Vg),1>d.length&&(d=Nc),HF(a.Z,1,d))):230==a.c?VC(a,null):233<=a.c&&262>a.c?(TF(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,QF(a.Z,!0)):VB();NE(a)}else e=!1;e&&(FF(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,QC(a))}return e} -function UF(a,b,c,d){var e,f;if(a.z||!a.hb||MF(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=VF(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.j[b.v];l=b.j[b.v-1];i=b.J[g]-b.J[l];h=b.M[g]-b.M[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.J[l];n=f-b.M[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.v)DF(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.j[0]]&&(m=b.G[b.j[0]][1],m==b.j[1]&&(m=b.G[b.j[0]][2]),i=b.J[b.j[0]]-b.J[m],h=b.M[b.j[0]]-b.M[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.J[m],n=f-b.M[m],e=n*i-o*h,o=b.J[b.j[1]]-b.J[m],n=b.M[b.j[1]]-b.M[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.j[0],Z(b,0),EF(b,e),0<VF(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){Tq(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;Z(b,L(J(Math.round(h))));b.j[b.v]=b.t;0<VF(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;Tq(b.n,e+j)}else i=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(i/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(NF(b)||MF(b))LE(a.Z,e),a.O= -5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=v(PE,r,-1,4,1);QE(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.c-b.n.Y&&0<h&&h<b.n.C.b-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;ME(a);a.lb=!0;QC(a);a.Mb=c;a.Nb=d;return!0} -function WF(a,b,c,d){var e,f,g;if(!a.z&&!MF(b)){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.tb;++b){e=a.fb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((yE(),DE)?350:170)+1,n=1;n<=e.u;++n)l=i-e.K[n],m=h-e.N[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;0<a.fb[b].D&&null!=a.qb&&DC(a.qb,E(LD,r,121,[new R(a.e),new R(a.Z.D)]));break a}else if(0<a.fb[b].D||0< -a.fb[b].E)a.fb[b].D=0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.tb;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;ME(a);a.lb=!0;QC(a)}0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}} -function XF(a){if(a.z)return!0;a.jb=!1;a.P=eh;if(1==a.O){if(205==a.c){var b=a.Z,c,d;b.C&&(c=VF(b,b.t),6>b.z[c]&&(YF(b),d=b.j[b.v-1],b.H[b.u]=c,b.I[b.u]=d,b.G[c][++b.z[c]]=d,b.G[d][++b.z[d]]=c),DF(b,b.t));b.C=!1;NE(a)}else a:{var b=a.Z,e,f;c=VF(b,b.t);if(0!=c){--b.t;for(f=1;f<b.u;++f)if(d=b.H[f],e=b.I[f],d==c&&e==b.F||d==b.F&&e==c){--b.u;--b.z[b.F];3>b.s[f]?(++b.s[f],b.B[f]=0):Tq(b.n,"Maximum allowed bond order is 3 !");break a}6==b.z[c]?(--b.u,--b.z[b.F],Tq(b.n,"Not possible connection !")):(b.I[b.u]= -c,b.G[c][++b.z[c]]=b.F,b.G[b.F][b.z[b.F]]=c,b.K[b.u]=L(J(MD((b.J[b.F]+b.J[c])/2))),b.N[b.u]=L(J(MD((b.M[b.F]+b.M[c])/2))))}}SE(a.Z);a.r&&(b=a.$,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,vE(b),b.b.d=c),NE(a),a.r=!1)}else 5==a.O&&(SE(a.Z),NE(a));0<a.O&&(a.D=!1,ME(a),a.lb=!0,FF(a.Z),ZF(a.Z),QC(a),a.O=0,a.f=!1);if(DE&&(0!=a.Z.E||0!=a.Z.D))a.Z.E=0,a.Z.D=0,ME(a),a.lb=!0,QC(a);return!0}function ME(a){a.kb=!1;a.mb=!1;a.lb=!1} -function PC(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Ab=!1:-1<b.indexOf("rbutton")&&(a.Ab=!0);-1<b.indexOf("nohydrogens")?a.Fb=!1:-1<b.indexOf("hydrogens")&&(a.Fb=!0);-1<b.indexOf("keephs")&&(a.N=!0);-1<b.indexOf("removehs")&&(a.N=!1);-1<b.indexOf("noquery")?a.yb=!1:-1<b.indexOf("query")&&(a.yb=!0);-1<b.indexOf(Cf)?a.Bb=!1:-1<b.indexOf($f)&&(a.Bb=!0);-1<b.indexOf("noautoez")?a.p=!1:-1<b.indexOf("autoez")&&(a.p=!0);-1<b.indexOf("nostereo")?a.Jb=!1:-1<b.indexOf("stereo")&&(a.Jb=!0); 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b,c,d;b=wz(a);!a.C||b.c!=a.C.c||b.b!=a.C.b||!a.cb||!a.I?(a.C=b,d=b.c-a.Y,c=b.b-3*a.Y-a.S,1>d&&(d=1),1>c&&(c=1),a.cb=sz(a,d,c),iF(a),a.z||(a.Lb=sz(a,b.c,2*a.Y+a.S),pF(a),c=b.b-2*a.Y+a.S,1>c&&(c=1),a.Q=sz(a,a.Y,c),hF(a),a.I=sz(a,d,a.Y),dF(a))):(iF(a),a.z||(dF(a),a.D&&(pF(a),hF(a)),a.D=!0));a.kb=!0;a.mb=!0;a.lb=!0;a.jb=!0} -function cD(a,b){var c,d,e;e=j;for(d=1;d<=a.tb;++d){if(0<b&&(c=CF(a.fb[d]),c!=b))continue;c=a.fb[d];for(var f=void 0,g=void 0,i=void 0,h=void 0,l=g=f=void 0,m=void 0,i=void 0,m=j+c.t+ca+c.u,h=1;h<=c.t;++h){i=mF(c,h);c.n.M&&0<c.x[h]&&(i+=Vb,1<c.x[h]&&(i+=c.x[h]));0!=c.A[h]&&(0<c.A[h]?i+=wa:i+=Aa,1<Oj(c.A[h])&&(i+=Oj(c.A[h])));g=-1;for(f=1;f<=c.y;++f)if(c.q[f][0]==h){g=c.q[f][1];break}c.n.Ib&&0<c.e[h]&&(g=1);-1<g&&(i+=mb+g);m+=ca+i+ca+aG(0.055999999999999994*c.J[h],0,2)+ca+aG(0.055999999999999994*-c.M[h], 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-1;++a.z[a.D];YF(a);a.s[a.u]=1;203==a.n.c&&(a.s[a.u]=2);204==a.n.c&&(a.s[a.u]=3);a.H[a.u]=a.D;a.I[a.u]=a.t;201==a.n.c&&SF(a,a.u);a.G[a.t][1]=a.D;a.G[a.D][a.z[a.D]]=a.t;a.K[a.u]=L(J(MD((a.J[a.D]+a.J[a.t])/2)));a.N[a.u]=L(J(MD((a.M[a.D]+a.M[a.t])/2)));a.L=a.J[a.t];a.O=a.M[a.t]} -function QF(a,b){var c;a.F=a.D;c=0;if(233==a.n.c||237==a.n.c||236==a.n.c||239==a.n.c||251==a.n.c||252==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.p=!1,a.D=a.t-1,Z(a,0),a.D=a.t-2,Z(a,0),237==a.n.c&&(a.c[a.t]=10,a.c[a.t-1]=10,a.c[a.t-2]=10),236==a.n.c&&(a.c[a.t]=9,a.c[a.t-1]=9,a.c[a.t-2]=9),239==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=5,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),252==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=4,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),251==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t- -2]=5,a.c[a.t-3]=7,a.s[a.u]=2),c=4;else if(244==a.n.c)Z(a,0),a.c[a.t]=4,a.D=a.t,Z(a,0),a.c[a.t]=8,a.D=a.t,a.p=!0,Z(a,0),a.p=!1,a.D=a.t-1,Z(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-2,Z(a,0),a.c[a.t]=5,a.s[a.u]=2,c=5;else if(234==a.n.c)Z(a,0),a.c[a.t]=4,a.D=a.t,a.n.wb&&OF(a,a.D,1),Z(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-1,Z(a,0),a.c[a.t]=5,a.n.wb?(a.s[a.u]=1,OF(a,a.t,-1)):a.s[a.u]=2,c=3;else if(235==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.c[a.t]=5,a.D=a.t-1,Z(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(240==a.n.c)Z(a,0),a.D= -a.t,Z(a,0),a.c[a.t]=5,a.D=a.t,Z(a,0),a.D=a.t-2,Z(a,0),a.c[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.c[a.t]=4,a.D=a.t-1,Z(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)Z(a,0),a.c[a.t]=4,a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)Z(a,0),a.c[a.t]=5,a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.D=a.t-1,Z(a,0),a.s[a.u]=2,a.c[a.t]=5,c=4;else if(243==a.n.c)Z(a,0),a.c[a.t]=4,a.D=a.t,Z(a,0),a.D=a.t-1,Z(a,0),c=3;else if(238==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.s[a.u]= -3,a.p=!1,c=2;else if(249==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.s[a.u]=2,a.c[a.t]=5,c=2;else if(250==a.n.c)Z(a,0),a.s[a.u]=2,a.c[a.t]=5,c=1;else if(245==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.D=a.t,a.s[a.u]=3,Z(a,0),a.p=!1,c=3;else if(242==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.s[a.u]=3,a.c[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)Z(a,0),a.c[a.t]=9,c=1;else if(255==a.n.c)Z(a,0),a.c[a.t]=10,c=1;else if(256==a.n.c)Z(a,0),a.c[a.t]=11,c=1;else if(257==a.n.c)Z(a,0),a.c[a.t]=12,c=1;else if(258==a.n.c)Z(a,0),a.c[a.t]=4, -c=1;else if(259==a.n.c)Z(a,0),a.c[a.t]=5,c=1;else if(246==a.n.c)Z(a,0),a.D=a.t,Z(a,0),c=2;else if(247==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),c=3;else if(248==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),c=4;else if(253==a.n.c){var d,e,f,g,i,h,l,m,o,n,q;if(a.n.Kb){c=0;m=a.n.Kb;for(l=1;l<=m.y;++l)d=m.q[l][0],1==m.q[l][1]&&(c=d);d=a.t;l=a.D;Z(a,0);e=a.J[a.t];g=a.M[a.t];DF(a,a.t);e=a.J[l]-e;g=a.M[l]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=m.t;++h)TF(a),a.c[a.t]=m.c[h],a.A[a.t]=m.A[h], -a.x[a.t]=m.x[h],a.J[a.t]=m.J[h],a.M[a.t]=m.M[h];for(h=1;h<=m.u;++h)YF(a),a.H[a.u]=m.H[h]+d,a.I[a.u]=m.I[h]+d,a.s[a.u]=m.s[h];jD(a);a.D=c+d;Z(a,0);m=a.J[a.t];n=a.M[a.t];DF(a,a.t);f=a.J[c+d]-m;i=a.M[c+d]-n;h=Math.sqrt(f*f+i*i);i/=h;f/=h;for(h=d+1;h<=a.t;++h)a.J[h]-=m,a.M[h]-=n,o=a.J[h]*f+a.M[h]*i,q=a.M[h]*f-a.J[h]*i,a.J[h]=o,a.M[h]=q,o=-a.J[h]*e+a.M[h]*g,q=-a.M[h]*e-a.J[h]*g,a.J[h]=o,a.M[h]=q,a.J[h]+=a.J[l],a.M[h]+=a.M[l];YF(a);a.H[a.u]=l;a.I[a.u]=c+d;jD(a);b&&(DF(a,l),RE(a))}c=4}qG(a,c);a.D=a.F;b&& -(a.D=0)} -function pG(a,b,c,d){var e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+ -c*g/h,d[1]=a.M[b]+c*i/h)} -function PF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])rG(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,Z(a,0),a.D=a.t,rG(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Tq(a.n,"ERROR - cannot add aromatic spiro ring !");a.n.O=9; -return}for(d=1;d<=a.z[a.D];++d)if(b=a.s[oG(a,a.D,a.G[a.D][d])],2<d||1!=b){Tq(a.n,"ERROR - spiro ring not possible here !");a.n.O=9;return}b=v(PE,r,-1,2,1);pG(a,a.D,h,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)TF(a),o=f*d+1.5707963267948966,a.J[a.t]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*g)}else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!= -b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)TF(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)TF(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)YF(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[oG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[oG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(G,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(J(MD((a.J[b]+a.J[e])/2))),a.N[c]=L(J(MD((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;YF(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(J(MD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(J(MD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(YF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(J(MD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(J(MD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(YF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(J(MD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(J(MD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(DF(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&qG(a,i);-1<l&&(a.D=l)} -function rG(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)TF(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function qG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=VF(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function oG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function sG(a,b,c){var d,e,f,g;e=eh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(mt(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)mt(c[d])&&!at(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)gt(c[d],e)&&(b[d]=g,c[d]=eh,++f);if(f==a.t)break}return g==a.t} -function RE(a){var b,c,d;b=v(PE,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{QE(a,b);c=~~(c/2)-L(J(Math.round(b[0])));d=~~(d/2)-L(J(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;SE(a)}} -function QE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function OF(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=tG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&Tq(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Tq(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Tq(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Tq(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Tq(a.n,"Charge change not possible on the halogen !");break;case 18:Tq(a.n, -"Use X button to change charge on the X atom !")}} -function uF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(G,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(G,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&DF(a,c);RE(a);Tq(a.n,"Smaller part(s) removed !");return 1} -function VF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function ZF(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];FF(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),FF(a));4==a.s[d]&&(a.s[d]=1)}} -function nG(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 jD(a){var b;uG(a);b=a.s.length;a.K=v(G,k,-1,b,1);a.N=v(G,k,-1,b,1);SE(a);FF(a)} -function TF(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(G,k,-1,c,1),VD(a.c,b,a.c.length),a.c=b,b=v(G,k,-1,c,1),VD(a.A,b,a.A.length),a.A=b,b=v(G,k,-1,c,1),VD(a.x,b,a.x.length),a.x=b,b=v(G,k,-1,c,1),VD(a.e,b,a.e.length),a.e=b,b=v(ys,r,1,c,0),VD(a.d,b,a.d.length),a.d=b,b=v(ys,r,1,c,0),VD(a.o,b,a.o.length),a.o=b,b=v(PE,r,-1,c,1),VD(a.J,b,a.J.length),a.J=b,b=v(PE,r,-1,c,1),VD(a.M,b,a.M.length),a.M=b,b=ns([c,7]),VD(a.G,b,a.G.length),a.G=b,c=v(G,k,-1,c,1),VD(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function nF(a,b,c,d,e,f){var g;g=L(J(MD(a.J[b]-c/2)));f||(g-=d-c);a=L(J(MD(a.M[b]-~~(e/2))));return new iz(g-1-2,a-2,d+1+4,e+4)} -function YF(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(G,k,-1,b,1),VD(a.H,c,a.H.length),a.H=c,c=v(G,k,-1,b,1),VD(a.I,c,a.I.length),a.I=c,c=v(G,k,-1,b,1),VD(a.s,c,a.s.length),a.s=c,c=v(G,k,-1,b,1),VD(a.B,c,a.B.length),a.B=c,c=v(G,k,-1,b,1),VD(a.K,c,a.K.length),a.K=c,c=v(G,k,-1,b,1),VD(a.N,c,a.N.length),a.N=c,b=v(ys,r,1,b,0),VD(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function JF(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(yE(),aa);i+="JME 2013-04-10 "+new iE+"\n \n";i+=IF(a.t,3)+IF(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=aG(0.055999999999999994*(a.J[e]-c),10,4)+aG(0.055999999999999994*(g-a.M[e]),10,4)+aG(0,10,4);h=mF(a,e);1==h.length?h+=" ":2==h.length?h+=ca:3<h.length&&(h="Q "); -i+=ca+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+IF(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=IF(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:vG(a,e)&&(g=2),c=IF(a.H[e],3)+IF(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=IF(a.I[e],3)+IF(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=IF(a.I[e],3)+IF(a.H[e],3)),i+=c+IF(g,3)+IF(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+IF(e,4)+IF(a.A[e],4)+aa);return i+"M END\n"} -function bG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,H,A,K,O,W,ba,N,nc,Dc,Wf,sb,Kd,Ld,Md,Va,Ec;o=v(G,k,-1,a.t+10,1);n=v(G,k,-1,a.t+10,1);l=v(G,k,-1,a.t+1,1);m=v(G,k,-1,7,1);sb=v(G,k,-1,a.t+1,1);w=v(wG,r,-1,a.t+1,2);H=v(wG,r,-1,a.u+1,2);nc=0;if(0==a.t)return j;uF(a,!0);Wf=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){Wf=!1;break}if(a.n.s&&Wf){xG(a);ZF(a);yG(a,H);zG(a,w,H);var Db,od,$e,ac,se,pd,qd,db,DH,Pd,t,xa,Dm,Em,Ls,gf,Na,Fm,Gm,Hc,Hm;Db=v(G,k,-1,a.t+1,1);od=v(G,k,-1,a.t+1,1);db=v(AG,r,-1,a.t+1,3);var Ms=a.t,Im, -oh,Ns,hg,uj,ye,hf;uj=v(AG,r,-1,Ms+2,3);ye=v(G,k,-1,100,1);hf=5;hg=0;ye[0]=3;uj[1]=gh;uj[2]=hh;Ns=2;if(!(3>Ms))for(;hf<ye[hg]*ye[hg];){oh=0;for(Im=!0;Im&&oh<=hg&&hf>=ye[oh]*ye[oh];)0==hf%ye[oh]?Im=!1:++oh;if(Im){uj[++Ns]=jt(hf);if(Ns>=Ms)break;hg<ye.length-1&&(++hg,ye[hg]=hf)}hf+=2}for(t=1;t<=a.t;++t){for(xa=Gm=1;xa<=a.u;++xa)(a.H[xa]==t||a.I[xa]==t)&&(Gm*=a.i[xa]);Fm=a.c[t];18==Fm&&(Hm=a.o[t],pd=Hm.charCodeAt(0)-65+1,qd=0,1<Hm.length&&(qd=Hm.charCodeAt(1)-97),0>pd&&(pd=0),0>qd&&(qd=0),Fm=28*pd+qd); -gf=0;-2>a.A[t]?gf=1:-2==a.A[t]?gf=2:-1==a.A[t]?gf=3:1==a.A[t]?gf=4:2==a.A[t]?gf=5:2<a.A[t]&&(gf=6);Hc=1;db[t]=jt(Gm);Hc*=126;db[t]=et(db[t],jt(a.x[t]*Hc));Hc*=7;db[t]=et(db[t],jt(gf*Hc));Hc*=7;db[t]=et(db[t],jt(Fm*Hc));Hc*=783;db[t]=et(db[t],jt(a.z[t]*Hc))}for(se=0;!sG(a,Db,db);){Ls=!1;for(t=1;t<=a.t;++t)Db[t]!=od[t]&&(od[t]=Db[t],Ls=!0);if(Ls){for(t=1;t<=a.t;++t){db[t]=fh;for(xa=1;xa<=a.z[t];++xa)db[t]=nt(db[t],uj[Db[a.G[t][xa]]])}se=0}else if(0<se){for(t=1;t<=a.t;++t)db[t]=fh;t=1;a:for(;t<=a.t- -1;++t)for(xa=t+1;xa<=a.t;++xa)if(Db[t]==Db[xa]){db[t]=gh;break a}}else{for(t=1;t<=a.t;++t){db[t]=fh;for(xa=1;xa<=a.z[t];++xa)$e=a.G[t][xa],db[t]=nt(db[t],jt(a.c[$e]*a.i[oG(a,t,$e)]))}se=1}sG(a,Db,db);for(t=1;t<=a.t;++t)db[t]=jt(od[t]*a.t+Db[t])}for(t=1;t<=a.t;++t)od[t]=Db[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(od[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];od[t]=od[Na];od[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Db[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Db[a.H[t]],a.I[t]=Db[a.I[t]],a.H[t]>a.I[t]&&(Pd=a.H[t],a.H[t]=a.I[t],a.I[t]=Pd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Em=Dm= -a.t;ac=0;for(xa=t;xa<=a.u;++xa)a.H[xa]<Dm?(Dm=a.H[xa],Em=a.I[xa],ac=xa):a.H[xa]==Dm&&a.I[xa]<Em&&(Em=a.I[xa],ac=xa);Pd=a.H[t];a.H[t]=a.H[ac];a.H[ac]=Pd;Pd=a.I[t];a.I[t]=a.I[ac];a.I[ac]=Pd;Pd=a.s[t];a.s[t]=a.s[ac];a.s[ac]=Pd;Pd=a.B[t];a.B[t]=a.B[ac];a.B[ac]=Pd;DH=a.f[t];a.f[t]=a.f[ac];a.f[ac]=DH}jD(a);FF(a);yG(a,H);zG(a,w,H)}else{yG(a,H);a.i=v(G,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(G,k,-1,a.t+1,1);Ec=1;a.b[1]=1;for(ba=0;;){N=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=sb[c]){Dc=!0;for(K=1;K<=nc;++K)if(o[K]==c&&n[K]==g||o[K]==g&&n[K]==c){Dc=!1;break}Dc&&(++nc,o[nc]=c,n[nc]=g)}}else m[++N]=g;if(0==N){if(Ec==a.t)break;c=l[ba--]}else if(1==N)sb[m[1]]=c,c=m[1],a.b[c]=++Ec;else{l[++ba]=c;e=0;for(q=1;q<=N;++q)if(h=oG(a,m[q],c),!H[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=oG(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);sb[e]=c;c=e;a.b[e]=++Ec}}sb=v(G,k,-1,a.t+1,1);b=v(G,k,-1,a.t+1,1);O=v(wG,r,-1,a.t+1,2);Kd=v(wG,r,-1,a.t+1,2);f=Ec=ba=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(sb[c]=f);b[++Ec]=c;for(a.b[c]=0;;){N=e=0;W=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=nc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++N,a.b[g]<W&&(e=g,W=a.b[g]))}if(0==e){if(0==ba)break a;Kd[c]=!0;c=l[ba--]}else break}f=c;c=e;1<N&&(l[++ba]=f,O[e]=!0)}Ld=v(G,k,-1,a.u+1,1);Md=v(G,k,-1,a.t+1,1);if(a.n.Jb){var FH=sb,QL=nc,Os,GH,ph,ze,Ps,Qs,Ma,vj,Rs;ph=v(G,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)ph[b[Ma]]=Ma;Ps=v(wG, -r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)Os=b[Ma],GH=FH[Os],ze=oG(a,Os,GH),0!=ze&&(BG(a,ze,ph,Ld,H),Ps[ze]=!0);for(Ma=1;Ma<=a.u;++Ma)Ps[Ma]||BG(a,Ma,ph,Ld,H);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){Qs=Rs=0;for(vj=1;vj<=a.z[Ma];++vj){ze=oG(a,Ma,a.G[Ma][vj]);if(5==a.i[ze])continue a;1==a.s[ze]&&0!=CG(a,ze,Ma)&&++Rs;2==a.s[ze]&&(Qs=a.G[Ma][vj])}if(0!=Rs)if(0<Qs){var ha=a,IH=Ma,jf=ph,Uc=Md,pc=void 0,wj=void 0,Ic=void 0,Ae=void 0,Jc=void 0,Jm=void 0,Km=void 0,Lm=void 0,Qd=void 0,Vc=void 0,Wc=void 0, -Ss=void 0,xj=void 0,Rd=void 0,yj=void 0,Be=void 0,zj=void 0,Ts=void 0,Aj=void 0,Ce=void 0,JH=void 0,kf=void 0,KH=void 0,Us=void 0,Bj=void 0,lf=void 0,Wc=1,wj=IH,pc=v(G,k,-1,ha.t+1,1);for(pc[1]=IH;;){Ss=!1;for(Vc=1;Vc<=ha.z[wj];++Vc)if(Ic=ha.G[wj][Vc],!(Ic==pc[1]||Ic==pc[Wc-1]))if(Ae=oG(ha,wj,Ic),2==ha.s[Ae]&&5!=ha.i[Ae]){wj=pc[++Wc]=Ic;Ss=!0;break}if(!Ss)break}if(!(0==Wc%2||2>ha.z[pc[Wc]]||3<ha.z[pc[Wc]])){lf=pc[1];Jc=pc[~~((Wc+1)/2)];Qd=pc[Wc];kf=Ce=Be=Rd=0;Us=Ts=!1;for(Vc=1;Vc<=ha.z[lf];++Vc)Ic= -ha.G[lf][Vc],Ae=oG(ha,lf,Ic),1!=ha.s[Ae]||5==ha.i[Ae]||(0==Rd?Rd=Ic:Be=Ic);0<jf[Be]&&jf[Rd]>jf[Be]&&(Jm=Rd,Rd=Be,Be=Jm);xj=Rd;0==Rd&&(xj=Be,Ts=!0);for(Vc=1;Vc<=ha.z[Qd];++Vc)Ic=ha.G[Qd][Vc],Ae=oG(ha,Qd,Ic),1!=ha.s[Ae]||5==ha.i[Ae]||(0==Ce?Ce=Ic:kf=Ic);0<jf[kf]&&jf[Ce]>jf[kf]&&(Jm=Ce,Ce=kf,kf=Jm);Aj=Ce;0==Ce&&(Aj=kf,Us=!0);yj=CG(ha,oG(ha,lf,Rd),lf);zj=CG(ha,oG(ha,lf,Be),lf);JH=CG(ha,oG(ha,Qd,Ce),Qd);KH=CG(ha,oG(ha,Qd,kf),Qd);1<(0>yj+zj?-(yj+zj):yj+zj)||0!=JH||0!=KH?Tq(ha.n,"Bad stereoinfo on allene !"): -(Km=ha.J[pc[Wc-1]]-ha.J[Qd],Lm=ha.M[pc[Wc-1]]-ha.M[Qd],Bj=Math.sqrt(Km*Km+Lm*Lm),0.001>Bj&&(Bj=0.001),0<(ha.M[Aj]-ha.M[pc[Wc-1]])*(Km/Bj)-(ha.J[Aj]-ha.J[pc[Wc-1]])*(Lm/Bj)?Uc[Jc]=1:Uc[Jc]=-1,Ts&&(Uc[Jc]*=-1),Us&&(Uc[Jc]*=-1),xj==Rd&&0>yj&&(Uc[Jc]*=-1),xj==Be&&0>zj&&(Uc[Jc]*=-1),jf[xj]>jf[Aj]&&(Uc[Jc]*=-1))}}else b:{var ob=a,Ya=Ma,Vs=FH,LH=ph,MH=o,NH=n,RL=QL,Mm=Md,Nm=void 0,Xc=void 0,Ws=void 0,qh=void 0,Ba=void 0,rh=void 0,sd=void 0,Cj=void 0,Sd=void 0,Nb=void 0,da=void 0,$=void 0,De=void 0,Om=void 0, -Yc=void 0,F=void 0,Pm=void 0,$=v(G,k,-1,4,1),Om=v(G,k,-1,4,1),Dj=void 0,Zc=void 0,Qm=void 0,Rm=void 0,Xs=void 0,Ej=void 0,Ej=-1;0<Vs[Ya]&&($[++Ej]=Vs[Ya]);for(Zc=1;Zc<=RL;++Zc)MH[Zc]==Ya&&($[++Ej]=NH[Zc]),NH[Zc]==Ya&&($[++Ej]=MH[Zc]);for(Zc=Ej+1;Zc<ob.z[Ya];++Zc){Xs=ob.t+1;Qm=1;c:for(;Qm<=ob.z[Ya];++Qm){Dj=ob.G[Ya][Qm];for(Rm=0;Rm<Zc;++Rm)if(Dj==$[Rm])continue c;LH[Dj]<Xs&&(Xs=LH[Dj],$[Zc]=Dj)}}0==Vs[Ya]&&0<ob.x[Ya]?($[3]=$[2],$[2]=$[1],$[1]=$[0],$[0]=-1):0<ob.x[Ya]&&($[3]=$[2],$[2]=$[1],$[1]=-1); -for(Ba=Cj=rh=qh=Pm=sd=Nb=0;4>Ba;++Ba)0>=$[Ba]||(Nm=oG(ob,Ya,$[Ba]),Om[Ba]=CG(ob,Nm,Ya),0<Om[Ba]?(++Nb,Pm=$[Ba],rh=$[Ba]):0>Om[Ba]?(++sd,qh=$[Ba],rh=$[Ba]):Cj=$[Ba]);Sd=Nb+sd;F=v(G,k,-1,4,1);Yc=0;if(3==ob.z[Ya]){if(1==Nb&&1==sd||3==Sd&&0<Nb&&0<sd){Tq(ob.n,"Error in C3H stereospecification !");break b}De=$[0];1==Sd?De=rh:2==Sd&&(De=Cj);da=mG(ob,Ya,De,$);F[0]=rh;F[1]=-1;F[2]=da[2];F[3]=da[1];0<Nb?Yc=1:Yc=-1}else if(4==ob.z[Ya])if(1==Sd)da=mG(ob,Ya,rh,$),F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],0< -Nb?Yc=1:Yc=-1;else{De=$[0];1<Cj&&(De=Cj);1==Nb?De=Pm:1==sd&&(De=qh);da=mG(ob,Ya,De,$);Xc=v(G,k,-1,4,1);for(Ba=0;4>Ba;++Ba)Nm=oG(ob,Ya,da[Ba]),Xc[Ba]=CG(ob,Nm,Ya);if(4==Sd){if(0==Nb||0==sd){Tq(ob.n,"Error in C4 stereospecification !");break b}if(1==Nb||1==sd)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],Yc=Xc[0];else{for(Ba=0;4>Ba;++Ba)-1==Xc[Ba]&&(Xc[Ba]=0);Sd=2}}else if(3==Sd)if(3==Nb||3==sd)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],0<Nb?Yc=-1:Yc=1;else{1==Nb?Nb=Ws=1:sd=Ws=-1;for(Ba=0;4>Ba;++Ba)Xc[Ba]== -Ws&&(Xc[Ba]=0);Sd=2}if(2==Sd)if(1==Nb&&1==sd)da[1]==qh?(da[1]=da[2],da[2]=da[3]):da[2]==qh&&(da[2]=da[3]),F[0]=Pm,F[1]=qh,F[2]=da[2],F[3]=da[1],Yc=1;else{if(Xc[0]==Xc[1]||Xc[1]==Xc[2]){Tq(ob.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Xc[0]?(F[0]=da[0],F[1]=da[2],F[2]=da[1],F[3]=da[3]):(F[0]=da[1],F[1]=da[3],F[2]=da[2],F[3]=da[0]);1<Nb?Yc=1:Yc=-1}}var jb=void 0;$[0]==F[1]?(jb=F[0],F[0]=F[1],F[1]=jb,jb=F[2],F[2]=F[3],F[3]=jb):$[0]==F[2]?(jb=F[2],F[2]=F[0],F[0]=jb,jb=F[1],F[1]=F[3],F[3]= -jb):$[0]==F[3]&&(jb=F[3],F[3]=F[0],F[0]=jb,jb=F[1],F[1]=F[2],F[2]=jb);$[1]==F[2]?(jb=F[1],F[1]=F[2],F[2]=jb,jb=F[2],F[2]=F[3],F[3]=jb):$[1]==F[3]&&(jb=F[1],F[1]=F[3],F[3]=jb,jb=F[2],F[2]=F[3],F[3]=jb);F[2]==$[2]?Mm[Ya]=1:F[2]==$[3]?Mm[Ya]=-1:Tq(ob.n,"Error in stereoprocessing ! - t30");Mm[Ya]*=Yc}}}Va=new UD;i=v(G,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];O[c]&&(Va.b.b+=ta);0<sb[q]&&DG(a,c,sb[c],Va,Ld);var sh=w[c],Fb=void 0,Fj=void 0,th=void 0,S=void 0,S=Nc,Fb=!1;0!=a.A[c]&& -(Fb=!0);0!=Md[c]&&(Fb=!0);th=-1;for(Fj=1;Fj<=a.y;++Fj)if(a.q[Fj][0]==c){th=a.q[Fj][1];break}-1<th&&(Fb=!0);a.n.Ib&&0<a.e[c]&&(Fb=!0,th=1);switch(a.c[c]){case 2:S=Bb;break;case 3:sh?S="c":S=Hb;break;case 4:sh?(S=zf,0<a.x[c]&&(Fb=!0)):S=ec;break;case 5:sh?S="o":S=lc;break;case 7:sh?(S="p",0<a.x[c]&&(Fb=!0)):S=oc;break;case 8:sh?S=lg:S=Ac;break;case 13:sh?S=pg:S=Cc;Fb=!0;break;case 6:S=Fc;Fb=!0;break;case 9:S=Rb;break;case 10:S=Lb;break;case 11:S=Gb;break;case 12:S=Xb;break;case 1:S=Vb;Fb=!0;break;case 19:S= -qc;Fb=!0;break;case 20:S=rc;Fb=!0;break;case 21:S=sc;Fb=!0;break;case 22:S=tc;Fb=!0;break;case 18:Fb=!0,S=a.o[c],(D(S,va)||D(S,Sc)||D(S,xb))&&(Fb=!1)}Fb&&(S=Oc+S,1==Md[c]?S+=vb:-1==Md[c]&&(S+=wb),1==a.x[c]?S+=Vb:1<a.x[c]&&(S+=Vb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?S+=wa:S+=Aa,1<Oj(a.A[c])&&(S+=Oj(a.A[c]))),-1<th&&(S+=mb+th),S+=Qc);nn(Va.b,S);for(A=1;A<=nc;++A)if(o[A]==c||n[A]==c)d=n[A],d==c&&(d=o[A]),i[c]<i[d]&&DG(a,o[A],n[A],Va,Ld),9<A&&(Va.b.b+="%"),mn(Va,j+(new R(A)).b);Kd[c]&&(Va.b.b+=ua)}return Va.b.b} -function DF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)aD(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function EF(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&DF(a,c);0==a.z[d]&&DF(a,d)} -function xG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=oG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&DF(a,c)}}}function uG(a){var b;b=a.c.length;a.G=ns([b,7]);a.z=v(G,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function zG(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(G,k,-1,a.u+1,1);o=v(wG,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[oG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:vG(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(wG,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function SE(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(J(MD((a.J[b]+a.J[c])/2))),a.N[d]=L(J(MD((a.M[b]+a.M[c])/2)))}function yG(a,b){var c;for(c=1;c<=a.u;++c)oF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function mF(a,b){var c;c=(yE(),TC)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function vG(a,b){return 2==a.s[b]?!0:!1}function oF(a,b,c){var d,e,f,g;g=1;a.b=v(G,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function RF(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=ns([b+5,2]),VD(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function RC(a){var b;a.y=0;a.r=0;bG(a);for(b=1;b<=a.t;++b)a.D=b,RF(a);a.D=0} -function CF(a){var b,c;b=v(PE,r,-1,4,1);QE(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function LE(a,b){var c,d,e,f,g,i,h,l;c=v(PE,r,-1,4,1);QE(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;QE(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function $F(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function HF(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&OD(c,Qc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(ya)&&(f=!0);-1<c.indexOf(pb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Vb);g=Nj(c.indexOf(wa),c.indexOf(Aa));if(-1<d){i=go(c,d+1);try{a.n.y=iC(i,10)}catch(h){if(h=Ii(h),y(h,118))a.n.y=0;else throw h;}a.D=b;RF(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Hb)?3:D(d,Bb)?2:D(d,ec)?4:D(d,lc)?5:D(d,oc)?7:D(d,Ac)?8:D(d,Rb)?9:D(d,Lb)?10:D(d,Gb)?11:D(d,Xb)?12:D(d,Vb)?1:D(d,Cc)?13:D(d,Fc)?6:D(d,qc)?19:D(d,rc)?20:D(d,sc)?21:D(d,tc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ca;d=0;0<e&&(d=1,e=ND(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=ND(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=ND(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=ND(c,g++);for(;45==e;)--d,e=ND(c,g++)}a.A[b]=d}}} -function WC(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new CC(b);try{for(;b.k=vC(b,b.b),b.k<b.j;)d=ID(iC(yC(b),10)).b,c=e=ID(iC(yC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Ii(f),y(f,118))kn(f);else throw f;}}function DG(a,b,c,d,e){b=oG(a,b,c);5!=a.i[b]&&vG(a,b)?d.b.b+=rb:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=ub,a=a.f[b],null!=a&&(e=a),nn(d.b,e)):1==e[b]?d.b.b+=Xa:-1==e[b]&&(d.b.b+=Pc)} -function SF(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Tq(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Tq(a.n,"Stereomarking allowed only on single and double bonds!")} -function BG(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=oG(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=oG(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=oG(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=oG(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Tq(a.n,"Not unique E/Z geometry !");else{i=oG(a,b,e);f=oG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=oG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function tG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=oG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(vG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function CG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function FF(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=tG(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function TE(a){lG(this);this.n=a;this.y=this.u=this.t=0} -function tF(a,b){var c,d,e,f,g,i,h;TE.call(this,a);f=j;i=rF(b);if(null!=i){h=new BC(b,i,!0);for(e=1;4>=e;++e)f=sF(h,i);g=ID(iC(Yn(f.substr(0,3)),10)).b;c=ID(iC(Yn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)TF(this),f=sF(h,i),this.J[e]=(new HD(ED(Yn(f.substr(0,10))))).b,this.M[e]=-(new HD(ED(Yn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Yn(f.substr(31,d-31)),HF(this,e,d),62<=f.length&&(f=Yn(f.substr(60,3)),0<f.length&&(f=ID(iC(f,10)).b,0<f&&(this.D=e,a.y=f,RF(this),this.D=0)));for(e=1;e<=c;++e)YF(this), -f=sF(h,i),this.H[e]=ID(iC(Yn(f.substr(0,3)),10)).b,this.I[e]=ID(iC(Yn(f.substr(3,3)),10)).b,g=ID(iC(Yn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=ID(iC(Yn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);uG(this);$F(this);RE(this);for(jD(this);(h.k=vC(h,h.b),h.k<h.j)&&!(null==(f=yC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new AC(f);yC(g);yC(g);i=ID(iC(yC(g),10)).b; -for(e=1;e<=i;++e)c=ID(iC(yC(g),10)).b,this.A[c]=ID(iC(yC(g),10)).b}if(0==f.indexOf("M APO")){g=new AC(f);yC(g);yC(g);i=ID(iC(yC(g),10)).b;for(e=1;e<=i;++e)c=ID(iC(yC(g),10)).b,f=ID(iC(yC(g),10)).b,this.D=c,Z(this,0),HF(this,this.t,qc+f),this.D=0}}xG(this);jD(this)}} -function iD(a,b){var c,d,e,f,g;TE.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));OD(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new AC(b);d=ID(iC(yC(f),10)).b;e=ID(iC(yC(f),10)).b;for(c=1;c<=d;++c)g=yC(f),TF(this),HF(this,this.t,g),this.J[c]=(new HD(ED(yC(f)))).b,this.M[c]=-(new HD(ED(yC(f)))).b;for(c=1;c<=e;++c)if(YF(this),this.H[c]=ID(iC(yC(f),10)).b,this.I[c]=ID(iC(yC(f),10)).b,this.s[c]=ID(iC(yC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else if(11==this.s[c]||12==this.s[c]||13==this.s[c]||14==this.s[c])this.B[c]=this.s[c],this.s[c]=9;uG(this);$F(this);RE(this)}catch(i){i=Ii(i);if(y(i,118)){i.Bc();this.t=0;return}throw i;}xG(this);jD(this)}} -function vF(a,b,c){var d,e,f;TE.call(this,a);f=v(G,k,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.b[a]==c&&(TF(this),this.c[this.t]=b.c[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.e[this.t]=b.e[a],this.d[this.t]=b.d[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))YF(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.f[this.u]=b.f[a];for(a= -1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.k=b.k;jD(this);RE(this)} -function KF(a,b,c){var d,e,f,g,i;TE.call(this,a);for(a=1;a<=c;++a)this.t+=b[a].t,this.u+=b[a].u,this.y+=b[a].y;this.c=v(G,k,-1,this.t+1,1);this.A=v(G,k,-1,this.t+1,1);this.x=v(G,k,-1,this.t+1,1);this.e=v(G,k,-1,this.t+1,1);this.d=v(ys,r,1,this.t+1,0);this.J=v(PE,r,-1,this.t+1,1);this.M=v(PE,r,-1,this.t+1,1);this.o=v(ys,r,1,this.t+1,0);this.H=v(G,k,-1,this.u+1,1);this.I=v(G,k,-1,this.u+1,1);this.s=v(G,k,-1,this.u+1,1);this.f=v(ys,r,1,this.u+1,0);this.B=v(G,k,-1,this.u+1,1);this.q=ns([this.y+1,2]); -f=i=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].t;++d)++e,this.c[e]=b[a].c[d],this.J[e]=b[a].J[d],this.M[e]=b[a].M[d],this.A[e]=b[a].A[d],this.x[e]=b[a].x[d],this.e[e]=b[a].e[d],this.d[e]=b[a].d[d],this.o[e]=b[a].o[d];for(d=1;d<=b[a].u;++d)++g,this.s[g]=b[a].s[d],this.B[g]=b[a].B[d],this.H[g]=b[a].H[d]+f,this.I[g]=b[a].I[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].y;++d)++i,this.q[i][0]=b[a].q[d][0]+f,this.q[i][1]=b[a].q[d][1];f=e}jD(this);RE(this)} -function FE(a){var 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-f.k.b&&(ca=g,i=K,A=H,ca.n&&(cE(ca,!1),dE(ca,qE(ca,i,A,5,!0)))),106==f.k.b&&vE(f,f.G[f.D],f.H[f.D]))){ca=0;for(i=1;i<=f.s;++i)0<f.a[i]&&++ca;if(ca>~~(f.s/2))for(i=1;i<=f.s;++i)0<f.a[i]?f.a[i]=0:f.a[i]=1;Y(g,(kz(),rz));for(i=1;i<=f.s;++i)0<f.a[i]&&(q=l[i],bE(g,q.c,q.d,q.b,q.a))}}}a.y||(a.mb?(Y(e,(kz(),pz)),Z(e,c-1,0,c-1,b-1)):(Y(e,yz(fC)),Z(e,c-1,0,c-1,b-1),Y(e,fC),Z(e,c-2,0,c-2,b-1),Y(e,HD),Z(e,c-3,0,c-3,b-1)));a.Ab&&(d=~~((c-48)/2),Y(e,(kz(),uz)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.y&&(a.S=new Lz(Ub,0,13),a.V=new BA(a.S),null!=a.ab&&(d=CA(a.V,a.ab),c=M(L(Math.round((c-d)/2))),b-=13,Y(e,(kz(),qz)),lE(e,a.S),mE(e,a.ab,c,b)));nE(a.Nb,a.bb,a.X,2*a.X+a.R)}} -function jE(a,b,c,d,e){var f,g,i,h,l;f=~~(a.X/4);g=!1;h=v(I,r,-1,9,1);l=v(I,r,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+a*Math.sin(i)),l[f]=J(d+a*Math.cos(i));f=e+1;b.n&&(cE(b,!1),dE(b,qE(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+(a-3)*Math.sin(i)),l[f]=J(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function wE(a){var b,c,d;if(a.lb){d=a.Kb.a;b=a.B.b;c=2*a.X+a.R;Y(d,fC);Yz(d,0,0,b,c);a.mb?(Y(d,(kz(),pz)),c=13*(a.X+a.R),bE(d,c,0,b-c-1,2*a.X+a.R-1)):(Y(d,yz(fC)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,HD),Z(d,0,0,b-1,0));c=a.b;233<=a.b&&262>=a.b&&(a.b=213);for(b=1;13>=b;++b)aE(a,d,b,1),aE(a,d,b,2);a.b=c;nE(a.Nb,a.Kb,0,0)}} -function gE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);fE(a,b,c+m-i,f,d-4-i-1,e,h)} -function xE(a,b){var c,d,e,f,g,i,h;kC(a);if(0==b.indexOf("$RXN")){a.Ab=!0;a.hb=!0;g=yE(b);h=new HB(b,g,!0);d=j;for(c=1;5>=c;++c)d=zE(h,g);c=PC(oB(Gn(d.substr(0,3)),10)).a;f=PC(oB(Gn(d.substr(3,3)),10)).a;zE(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=zE(h,g),null==i||E(i,"$MOL"));)e+=i+g;a.eb[++a.sb]=new AE(a,e)}VD(a,1,c,1);VD(a,c+1,c+f,3)}else{a.Ab=!1;a.Y=new AE(a,b);if(!a.Y||0==a.Y.s)return a.ib=!0,a.I="ERROR - problems in reading/processing MOL input",WB(a),!1;null!=a.f&&a.Y&&bC(a.Y,a.f,!0);null!=a.i&& -a.Y&&bC(a.Y,a.i,!1);g=BE(a.Y,!1);if(1==g)a.eb[++a.sb]=a.Y;else{a.hb=!0;for(d=1;d<=g;++d)a.eb[++a.sb]=new CE(a,a.Y,d)}a.d=1;a.Y=a.eb[a.d];VD(a,1,g,0)}WB(a);return!0} -function DE(a,b){var c,d,e,f,g,i,h,l;kC(a);c=f=0;l=new HB(b,"|>",!0);e=-1<b.indexOf(sb);i=1;g=AB(l);a.sb=0;for(d=1;d<=g;++d)if(h=EB(l),Gn(h),!E(h,Vg))if(E(h,sb))++i,2==i?f=a.sb:3==i&&(c=a.sb+1);else{a.Y=new oC(a,h);if(0==a.Y.s)return qC(a,"ERROR - problems in reading/processing molecule !"),aB(),!1;++a.sb;a.d=a.sb;a.eb[a.sb]=a.Y}if(2==i)return qC(a,"ERROR - strange reaction - fixing !"),aB(),!1;if(3<i)return qC(a,"ERROR - strange reaction !"),aB(),!1;1<a.sb&&!e&&VB(a,qf);e&&!a.Ab&&VB(a,Tf);!e&&a.Ab&& -VB(a,uf);e?(VD(a,1,f,1),VD(a,f+1,c-1,2),VD(a,c,a.sb,3)):VD(a,1,a.sb,0);WB(a);return!0}function fq(a,b){a.ib=!0;a.I=b} -function jq(a,b){var c,d;if(0==b)return!1;TD(a);c=a.b;a.b=b;if(300>=b)switch(a.lb=!0,a.jb=!0,b){case 102:gC(a);d=a.Z;d.a=d.b;d.b.c=null;EE(a.Cb);break;case 110:a.kb=!0;a.b=c;a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b?a.e&&(++a.sb,a.d=a.sb,a.e=!1):(a.ib=!0,a.I="No more undo");if(!(a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b))break;FE(a,CD(a.Z));a.kb=!0;break;case 111:a.b=c;if(a.Z.a.c)a.e&&(++a.sb,a.d=a.sb,a.e=!1);else{a.ib=!0;a.I="No more redo";break}if(!a.Z.a.c)break;d=a.Z;if(!d.a.c)throw new ru("Cannot redo. Index is out of range."); -if(!d.a.c)throw new ru(Yb);d.a=d.a.c;FE(a,d.a.a);a.kb=!0;break;case 152:a.b=c;d=a.Cb;d.a<d.c-1?(++d.a,d=ht(d,d.a)):d=null;null==d?(a.ib=!0,a.I=hc):(fq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=VC(d),cC(a,d,!1),null!=a.qb&&JB(a.qb,null));break;case 151:a.b=c;d=a.Cb;0<d.a?(--d.a,d=ht(d,d.a)):d=null;null==d?(a.ib=!0,a.I=hc):(fq(a,bc+(a.Cb.a+1)+fa+a.Cb.c),d=VC(d),cC(a,d,!1),null!=a.qb&&JB(a.qb,null));break;case 101:a.Fb&&wD(a.Fb);a.Fb=new GE(1,a);a.b=c;break;case 107:!a.yb?a.yb=new HE(a):a.yb._b.c.$?IE(a.yb._b.c): -dC(a.yb);break;case 113:a.a&&wD(a.a);a.a=new GE(0,a);a.b=c;break;case 103:a.kb=!0;a.nb=!0;a.b=c;break;case 105:a.kb=!0;a.p&&a.fb&&(a.fb=!1,XB(a.Y),a.b=c);a.x=1;break;case 112:case 109:a.b=c;d=JE(a.Y);if(2==d){a.ib=!0;a.I="Copying the agent not possible !";break}d=v(WD,k,-1,4,1);XD(a.Y,d);a.kb=!0;a.Y=new MD(a.Y);d=J(~~((a.B.b-a.X)/2)-d[0]);for(c=1;c<=a.Y.s;++c)a.Y.I[c]+=2*d;pC(a.Y);a.eb[++a.sb]=a.Y;a.d=a.sb;break;case 104:0<a.Y.C?(a.kb=!0,KE(a.Y,a.Y.C),a.Y.C=0,UD(a)):0<a.Y.D&&(a.kb=!0,LE(a.Y,a.Y.D), -a.Y.D=0,UD(a));ME(a.Y);break;case 213:a.b=c;if(!a.D){var e,f,g,i;i=new rA;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new jA(c),pA(i,g),g.c=c,Ey(g.d,a);Cx(a,i);a.D=i}qA(a.D,a,a.E.a,a.E.b)}else{a.jb=!0;a.lb=!0;switch(b){case 301:a.c=3;break;case 401:a.c=4;break;case 501:a.c=5;break;case 701:a.c=9;break;case 801:a.c=10;break;case 901:a.c=11;break;case 1001:a.c=12;break;case 601:a.c=8;break;case 1101:a.c=7;break;case 1300:a.c=1;break;case 1201:a.n&&(wD(a.n),a.n=null);0==a.Y.C&&(a.n=new GE(2,a));a.c=18; -break;case 1301:a.c=19;break;case 1302:a.c=20;break;case 1303:a.c=21;break;case 1304:a.c=22}0<a.Y.C&&(a.kb=!0,a.c!=a.Y.b[a.Y.C]&&18!=a.c&&(a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,UD(a)),18==a.c&&(d=Ln((gq(),hq)._b.a.gb,Mg),NE(a.Y,a.Y.C,d),UD(a)),ME(a.Y))}WB(a);return!0} -function cq(a){var b,c,d;d=rC(a);c=j;if(a.Ab){var e,f,g;g=zr([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)JE(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(OE(g[1][0],3)+OE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+PE(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+PE(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new QE(a,a.eb,a.sb)),c=PE(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function RE(a,b,c,d){var e;e=c;var f=d,g,i;(g=SE(b),i=0!=(b.e&2),g||i)?(a.Ab?qA((!a.v&&(a.v=SB(a,!0)),a.v),a,e,f):qA((!a.u&&(a.u=SB(a,!1)),a.u),a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=TE(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){b=0;for(e=1;13>=e;++e)if(c<e*(a.X+a.R)){b=e;break}c=0;for(e=1;e<=TB+2;++e)if(d<e*(a.X+a.R)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Gb=!0,a.ib=!0,a.I="Next ring will be added as spiro",WB(a), -!0;if(!a.xb&&107==d||!a.Ib&&201==d||!a.hb&&103==d||!a.rb&&!a.p&&105==d||!a.Ab&&109==d)return!1;e=jq(a,d)}else{if(d>a.B.a-a.X-1)return!1;a.gb=!0;c-=a.X;d-=2*a.X+a.R;if(0<a.Y.C)if(104==a.b)KE(a.Y,a.Y.C),a.Y.C=0,UD(a);else{if(106==a.b)return!0;if(108==a.b)UE(a.Y,a.Y.C,0),UD(a);else if(157==a.b)UE(a.Y,a.Y.C,1),UD(a);else if(158==a.b)UE(a.Y,a.Y.C,-1),UD(a);else if(202==a.b||203==a.b||204==a.b||201==a.b||205==a.b)a.N=1,$(a.Y,0),a.Y.E=a.Y.C,205==a.b?(a.Y.u=1,a.Y.i[1]=a.Y.s,a.Y.i[0]=a.Y.C,a.Y.D=0):UD(a); -else if(206<=a.b&&229>=a.b)a.N=2,VE(a.Y),UD(a);else if(230==a.b)a.N=3,UD(a);else if(233<=a.b&&262>a.b)WE(a.Y,!1),UD(a),a.N=3;else if(107==a.b){if(a.yb.b)return!0;NE(a.Y,a.Y.C,Ln(a.yb.e._b.a.gb,Mg));UD(a)}else if(105==a.b)XE(a.Y);else if(300<a.b){if(a.c!=a.Y.b[a.Y.C]||18==a.c)a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,18==a.c&&(d=Ln((gq(),hq)._b.a.gb,Mg),1>d.length&&(d=Lc),NE(a.Y,a.Y.C,d)),UD(a)}else e=!1}else if(0<a.Y.C&&206<=a.b&&229>=a.b)a.N=2,VE(a.Y),UD(a);else if(0<a.Y.D)if(104==a.b)LE(a.Y, -a.Y.D),a.Y.D=0,UD(a);else if(106==a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])fq(d.k,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;KE(d,c);d.a[c]=0}a.Y.D=0;UD(a)}else if(201==a.b)YE(a.Y,a.Y.D),UD(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),UD(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,UD(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,UD(a); -else if(206<=a.b&&229>=a.b)a.N=2,VE(a.Y),UD(a);else if(107==a.b){if(!a.yb.b)return!0;d=Ln(a.yb.e._b.a.gb,Mg);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;UD(a)}else 105==a.b?(a.ib=!0,a.I="Only atoms may be marked !"):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new $D(a);a.Y=a.eb[a.sb];a.nb=!1;202<=a.b&&204>=a.b||205==a.b?(ZE(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,a.Y.E=1,a.N=1,$(a.Y,0),205==a.b&&(a.Y.I[2]=c+21.65,a.Y.L[2]=d-12.5,a.Y.i[0]=1,a.Y.i[1]=2,a.Y.u=1)):206<= -a.b&&229>=a.b?(a.Y.K=c,a.Y.N=d,a.N=2,VE(a.Y)):300<a.b?(ZE(a.Y),a.Y.b[1]=a.c,a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,18==a.c&&(d=Ln((gq(),hq)._b.a.gb,Mg),1>d.length&&(d=Lc),NE(a.Y,1,d))):230==a.b?aC(a,null):233<=a.b&&262>a.b?(ZE(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,WE(a.Y,!0)):aB();UD(a)}else e=!1;e&&(ME(a.Y),a.jb=!1,a.lb=!1,a.kb=!0,WB(a))}return e} -function $E(a,b,c,d){var e,f;if(a.y||!a.gb||SE(b))return!0;a.ib=!1;c-=a.X;d-=2*a.X;e=c-a.Lb;f=d-a.Mb;if(2==a.N||3==a.N||9==a.N)return!0;if(1==a.N){a:{b=a.Y;e=c;f=d;var g,i,h,l,m,o,n;b.C=0;b.I[0]=e;b.L[0]=f;g=aF(b,0);if(0<g&&205!=b.k.b)b.C=g,g!=b.E?(b.I[b.s]=b.I[g],b.L[b.s]=b.L[g]):(b.I[b.s]=b.K,b.L[b.s]=b.N);else if(205==b.k.b){b.D=0;g=b.i[b.u];l=b.i[b.u-1];i=b.I[g]-b.I[l];h=b.L[g]-b.L[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.I[l];n=f-b.L[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.u)KE(b,b.s),--b.u,b.B=!1;else if(2==b.s)0>b.L[2]-b.L[1]&&0<f-b.L[1]?b.L[2]=b.L[1]+g/2:0<b.L[2]-b.L[1]&&0>f-b.L[1]&&(b.L[2]=b.L[1]-g/2),0>b.I[2]-b.I[1]&&0<e-b.I[1]?b.I[2]=b.I[1]+0.866*g:0<b.I[2]-b.I[1]&&0>e-b.I[1]&&(b.I[2]=b.I[1]-0.866*g);else{if(2==b.y[b.i[0]]&&(m=b.F[b.i[0]][1],m==b.i[1]&&(m=b.F[b.i[0]][2]),i=b.I[b.i[0]]-b.I[m],h=b.L[b.i[0]]-b.L[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.I[m],n=f-b.L[m],e=n*i-o*h,o=b.I[b.i[1]]-b.I[m],n=b.L[b.i[1]]-b.L[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.t,b.C=b.i[0],$(b,0),LE(b,e),0<aF(b,b.s)&&(b.B=!0)}else{if(b.B)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.u;if(100<b.u){fq(b.k,"You are too focused on chains, enough of it for now !");--b.u;break a}b.C=b.s;$(b,M(L(Math.round(h))));b.i[b.u]=b.s;0<aF(b,b.s)&&(b.B=!0)}}b.C=0;e=b.u;fq(b.k,e+j)}else i=e-b.I[b.E],h=f-b.L[b.E],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.I[b.s]=b.I[b.E]+25*(i/g),b.L[b.s]=b.L[b.E]+25*(h/g)}a.q=!0}else if(TE(b)||SE(b))SD(a.Y,e),a.N= -5;else if(0==a.Y.C&&0==a.Y.D){5!=a.N&&(e=f=0);b=a.Y;for(g=1;g<=b.s;++g)b.I[g]+=e,b.L[g]+=f;h=v(WD,k,-1,4,1);XD(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.k.B.b-b.k.X&&0<h&&h<b.k.B.a-3*b.k.X))for(g=1;g<=b.s;++g)b.I[g]-=e,b.L[g]-=f;a.N=5}a.C=!1;TD(a);a.kb=!0;WB(a);a.Lb=c;a.Mb=d;return!0} -function bF(a,b,c,d){var e,f,g;if(!a.y&&!SE(b)){c-=a.X;d-=2*a.X;g=!1;f=0;b=1;a:for(;b<=a.sb;++b){e=a.eb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((FD(),KD)?350:170)+1,n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.s;++n)l=i-e.I[n],m=h-e.L[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.eb[b].C=0<e?e:0;a.eb[b].D=0>e?-e:0;f=b;g=!0;0<a.eb[b].C&&null!=a.pb&&JB(a.pb,G(SC,k,76,[new T(a.d),new T(a.Y.C)]));break a}else if(0<a.eb[b].C||0<a.eb[b].D)a.eb[b].C= -0,a.eb[b].D=0,g=!0}if(g){for(b=a.d+1;b<=a.sb;++b)a.eb[b].C=0,a.eb[b].D=0;a.C=!1;TD(a);a.kb=!0;WB(a)}0!=f&&f!=a.d&&(a.d=f,a.Y=a.eb[a.d])}} -function cF(a){if(a.y)return!0;a.ib=!1;a.O=Xg;if(1==a.N){if(205==a.b){var b=a.Y,c,d;b.B&&(c=aF(b,b.s),6>b.y[c]&&(dF(b),d=b.i[b.u-1],b.G[b.t]=c,b.H[b.t]=d,b.F[c][++b.y[c]]=d,b.F[d][++b.y[d]]=c),KE(b,b.s));b.B=!1;UD(a)}else a:{var b=a.Y,e,f;c=aF(b,b.s);if(0!=c){--b.s;for(f=1;f<b.t;++f)if(d=b.G[f],e=b.H[f],d==c&&e==b.E||d==b.E&&e==c){--b.t;--b.y[b.E];3>b.r[f]?(++b.r[f],b.A[f]=0):fq(b.k,"Maximum allowed bond order is 3 !");break a}6==b.y[c]?(--b.t,--b.y[b.E],fq(b.k,"Not possible connection !")):(b.H[b.t]= -c,b.F[c][++b.y[c]]=b.E,b.F[b.E][b.y[b.E]]=c,b.J[b.t]=M(L(TC((b.I[b.E]+b.I[c])/2))),b.M[b.t]=M(L(TC((b.L[b.E]+b.L[c])/2))))}}ZD(a.Y);a.q&&(b=a.Z,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,CD(b),b.a.c=c),UD(a),a.q=!1)}else 5==a.N&&(ZD(a.Y),UD(a));0<a.N&&(a.C=!1,TD(a),a.kb=!0,ME(a.Y),eF(a.Y),WB(a),a.N=0,a.e=!1);if(KD&&(0!=a.Y.D||0!=a.Y.C))a.Y.D=0,a.Y.C=0,TD(a),a.kb=!0,WB(a);return!0}function TD(a){a.jb=!1;a.lb=!1;a.kb=!1} -function VB(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.zb=!1:-1<b.indexOf("rbutton")&&(a.zb=!0);-1<b.indexOf("nohydrogens")?a.Eb=!1:-1<b.indexOf("hydrogens")&&(a.Eb=!0);-1<b.indexOf("keephs")&&(a.M=!0);-1<b.indexOf("removehs")&&(a.M=!1);-1<b.indexOf("noquery")?a.xb=!1:-1<b.indexOf("query")&&(a.xb=!0);-1<b.indexOf(uf)?a.Ab=!1:-1<b.indexOf(Tf)&&(a.Ab=!0);-1<b.indexOf("noautoez")?a.o=!1:-1<b.indexOf("autoez")&&(a.o=!0);-1<b.indexOf("nostereo")?a.Ib=!1:-1<b.indexOf("stereo")&&(a.Ib=!0); 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if(234==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,a.k.vb&&UE(a,a.C,1),$(a,0),a.b[a.s]=5,a.r[a.t]=2,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.k.vb?(a.r[a.t]=1,UE(a,a.s,-1)):a.r[a.t]=2,c=3;else if(235==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(240==a.k.b)$(a,0),a.C= -a.s,$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s-2,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=4;else if(260==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=4,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(261==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(241==a.k.b)$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=4;else if(243==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),c=3;else if(238==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.r[a.t]= -3,a.o=!1,c=2;else if(249==a.k.b)$(a,0),a.C=a.s,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=2;else if(250==a.k.b)$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=1;else 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e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function VE(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])xF(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,xF(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){fq(a.k,"ERROR - cannot add aromatic spiro ring 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-b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]);e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(q=-q,m=0);n=a.I[b]+o*e-q*g;q=a.L[b]+q*e+o*g;for(d=1;d<=i;++d)ZE(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)ZE(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)dF(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&& -(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f=1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[uF(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f], -1<a.r[uF(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2;a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(I,r,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=M(L(TC((a.I[b]+a.I[e])/2))),a.M[c]=M(L(TC((a.L[b]+a.L[e])/ -2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;dF(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=M(L(TC((a.I[a.G[a.t]]+a.I[a.H[a.t]])/ -2)));a.M[a.t]=M(L(TC((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]?(dF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=M(L(TC((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=M(L(TC((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(dF(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=M(L(TC((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=M(L(TC((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0< -h[f]&&(KE(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b];for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&wF(a,i);-1<l&&(a.C=l)} -function xF(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)ZE(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function wF(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=aF(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)} -function uF(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function yF(a,b,c){var d,e,f,g;e=Xg;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(ys(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)ys(c[d])&&!ms(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)ss(c[d],e)&&(b[d]=g,c[d]=Xg,++f);if(f==a.s)break}return g==a.s} -function YD(a){var b,c,d;b=v(WD,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{XD(a,b);c=~~(c/2)-M(L(Math.round(b[0])));d=~~(d/2)-M(L(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;ZD(a)}} -function XD(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function UE(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=zF(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&fq(a.k,"Charge change not possible on this boron !");0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?fq(a.k,"Charge change not possible on this carbon !"):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?fq(a.k,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break;case 5:case 8:case 13:2<d?fq(a.k,"Charge change not possible on multibonded O or S !"):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:fq(a.k,"Charge change not possible on the halogen !");break;case 18:fq(a.k, -"Use X button to change charge on the X atom !")}} -function BE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(I,r,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(I,r,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&KE(a,c);YD(a);fq(a.k,"Smaller part(s) removed !");return 1} -function aF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function eF(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];ME(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),ME(a));4==a.r[d]&&(a.r[d]=1)}} -function tF(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 pC(a){var b;AF(a);b=a.r.length;a.J=v(I,r,-1,b,1);a.M=v(I,r,-1,b,1);ZD(a);ME(a)} -function ZE(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(I,r,-1,c,1),bD(a.b,b,a.b.length),a.b=b,b=v(I,r,-1,c,1),bD(a.z,b,a.z.length),a.z=b,b=v(I,r,-1,c,1),bD(a.w,b,a.w.length),a.w=b,b=v(I,r,-1,c,1),bD(a.d,b,a.d.length),a.d=b,b=v(Kr,k,1,c,0),bD(a.c,b,a.c.length),a.c=b,b=v(Kr,k,1,c,0),bD(a.n,b,a.n.length),a.n=b,b=v(WD,k,-1,c,1),bD(a.I,b,a.I.length),a.I=b,b=v(WD,k,-1,c,1),bD(a.L,b,a.L.length),a.L=b,b=zr([c,7]),bD(a.F,b,a.F.length),a.F=b,c=v(I,r,-1,c,1),bD(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function uE(a,b,c,d,e,f){var g;g=M(L(TC(a.I[b]-c/2)));f||(g-=d-c);a=M(L(TC(a.L[b]-~~(e/2))));return new ly(g-1-2,a-2,d+1+4,e+4)} -function dF(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(I,r,-1,b,1),bD(a.G,c,a.G.length),a.G=c,c=v(I,r,-1,b,1),bD(a.H,c,a.H.length),a.H=c,c=v(I,r,-1,b,1),bD(a.r,c,a.r.length),a.r=c,c=v(I,r,-1,b,1),bD(a.A,c,a.A.length),a.A=c,c=v(I,r,-1,b,1),bD(a.J,c,a.J.length),a.J=c,c=v(I,r,-1,b,1),bD(a.M,c,a.M.length),a.M=c,b=v(Kr,k,1,b,0),bD(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function PE(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(FD(),aa);i+="JME 2013-04-10 "+new pD+"\n \n";i+=OE(a.s,3)+OE(a.t,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=gF(0.055999999999999994*(a.I[e]-c),10,4)+gF(0.055999999999999994*(g-a.L[e]),10,4)+gF(0,10,4);h=tE(a,e);1==h.length?h+=" ":2==h.length?h+=ea:3<h.length&&(h="Q "); -i+=ea+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&&(d=4-a.z[e]);h=" 0"+OE(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=OE(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:BF(a,e)&&(g=2),c=OE(a.G[e],3)+OE(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=OE(a.H[e],3)+OE(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=OE(a.H[e],3)+OE(a.G[e],3)),i+=c+OE(g,3)+OE(d,3)+" 0 0 0\n"; -for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+="M CHG 1"+OE(e,4)+OE(a.z[e],4)+aa);return i+"M END\n"} -function hF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,H,A,K,O,V,ca,N,ec,xc,Mf,vb,Gd,Hd,Id,ib,yc;o=v(I,r,-1,a.s+10,1);n=v(I,r,-1,a.s+10,1);l=v(I,r,-1,a.s+1,1);m=v(I,r,-1,7,1);vb=v(I,r,-1,a.s+1,1);w=v(CF,k,-1,a.s+1,2);H=v(CF,k,-1,a.t+1,2);ec=0;if(0==a.s)return j;BE(a,!0);Mf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Mf=!1;break}if(a.k.r&&Mf){DF(a);eF(a);EF(a,H);FF(a,w,H);var Ab,jd,Se,Xb,me,kd,ld,db,zG,Kd,t,wa,km,lm,Zr,Ze,La,mm,nm,Bc,om;Ab=v(I,r,-1,a.s+1,1);jd=v(I,r,-1,a.s+1,1);db=v(GF,k,-1,a.s+1,3);var $r=a.s,pm, -eh,as,Yf,mj,te,$e;mj=v(GF,k,-1,$r+2,3);te=v(I,r,-1,100,1);$e=5;Yf=0;te[0]=3;mj[1]=Zg;mj[2]=$g;as=2;if(!(3>$r))for(;$e<te[Yf]*te[Yf];){eh=0;for(pm=!0;pm&&eh<=Yf&&$e>=te[eh]*te[eh];)0==$e%te[eh]?pm=!1:++eh;if(pm){mj[++as]=vs($e);if(as>=$r)break;Yf<te.length-1&&(++Yf,te[Yf]=$e)}$e+=2}for(t=1;t<=a.s;++t){for(wa=nm=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(nm*=a.f[wa]);mm=a.b[t];18==mm&&(om=a.n[t],kd=om.charCodeAt(0)-65+1,ld=0,1<om.length&&(ld=om.charCodeAt(1)-97),0>kd&&(kd=0),0>ld&&(ld=0),mm=28*kd+ld); -Ze=0;-2>a.z[t]?Ze=1:-2==a.z[t]?Ze=2:-1==a.z[t]?Ze=3:1==a.z[t]?Ze=4:2==a.z[t]?Ze=5:2<a.z[t]&&(Ze=6);Bc=1;db[t]=vs(nm);Bc*=126;db[t]=qs(db[t],vs(a.w[t]*Bc));Bc*=7;db[t]=qs(db[t],vs(Ze*Bc));Bc*=7;db[t]=qs(db[t],vs(mm*Bc));Bc*=783;db[t]=qs(db[t],vs(a.y[t]*Bc))}for(me=0;!yF(a,Ab,db);){Zr=!1;for(t=1;t<=a.s;++t)Ab[t]!=jd[t]&&(jd[t]=Ab[t],Zr=!0);if(Zr){for(t=1;t<=a.s;++t){db[t]=Yg;for(wa=1;wa<=a.y[t];++wa)db[t]=zs(db[t],mj[Ab[a.F[t][wa]]])}me=0}else if(0<me){for(t=1;t<=a.s;++t)db[t]=Yg;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Ab[t]==Ab[wa]){db[t]=Zg;break a}}else{for(t=1;t<=a.s;++t){db[t]=Yg;for(wa=1;wa<=a.y[t];++wa)Se=a.F[t][wa],db[t]=zs(db[t],vs(a.b[Se]*a.f[uF(a,t,Se)]))}me=1}yF(a,Ab,db);for(t=1;t<=a.s;++t)db[t]=vs(jd[t]*a.s+Ab[t])}for(t=1;t<=a.s;++t)jd[t]=Ab[t];for(La=1;La<=a.s;++La)for(t=1;t<=a.s;++t)if(jd[t]==La){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[La];a.z[t]=a.z[La];a.I[t]=a.I[La];a.L[t]=a.L[La];a.y[t]=a.y[La];a.b[La]=a.b[0];a.z[La]=a.z[0]; -a.I[La]=a.I[0];a.L[La]=a.L[0];a.y[La]=a.y[0];jd[t]=jd[La];jd[La]=La;a.n[0]=a.n[t];a.n[t]=a.n[La];a.n[La]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[La];a.d[La]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[La];a.c[La]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[La];a.w[La]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Ab[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Ab[a.G[t]],a.H[t]=Ab[a.H[t]],a.G[t]>a.H[t]&&(Kd=a.G[t],a.G[t]=a.H[t],a.H[t]=Kd,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){lm=km= -a.s;Xb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<km?(km=a.G[wa],lm=a.H[wa],Xb=wa):a.G[wa]==km&&a.H[wa]<lm&&(lm=a.H[wa],Xb=wa);Kd=a.G[t];a.G[t]=a.G[Xb];a.G[Xb]=Kd;Kd=a.H[t];a.H[t]=a.H[Xb];a.H[Xb]=Kd;Kd=a.r[t];a.r[t]=a.r[Xb];a.r[Xb]=Kd;Kd=a.A[t];a.A[t]=a.A[Xb];a.A[Xb]=Kd;zG=a.e[t];a.e[t]=a.e[Xb];a.e[Xb]=zG}pC(a);ME(a);EF(a,H);FF(a,w,H)}else{EF(a,H);a.f=v(I,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)a.f[q]=a.r[q]}c=1;a.a=v(I,r,-1,a.s+1,1);yc=1;a.a[1]=1;for(ca=0;;){N=0;for(q=1;q<=a.y[c];++q)if(g=a.F[c][q],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=vb[c]){xc=!0;for(K=1;K<=ec;++K)if(o[K]==c&&n[K]==g||o[K]==g&&n[K]==c){xc=!1;break}xc&&(++ec,o[ec]=c,n[ec]=g)}}else m[++N]=g;if(0==N){if(yc==a.s)break;c=l[ca--]}else if(1==N)vb[m[1]]=c,c=m[1],a.a[c]=++yc;else{l[++ca]=c;e=0;for(q=1;q<=N;++q)if(h=uF(a,m[q],c),!H[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=uF(a,m[q],c),2==a.f[h]||3==a.f[h]){e=m[q];break}0==e&&(e=m[1]);vb[e]=c;c=e;a.a[e]=++yc}}vb=v(I,r,-1,a.s+1,1);b=v(I,r,-1,a.s+1,1);O=v(CF,k,-1,a.s+1,2);Gd=v(CF,k,-1,a.s+1,2);f=yc=ca=0; -for(q=1;q<=a.s;++q)if(1==a.a[q]){c=q;break}a:for(;;){0<f&&(vb[c]=f);b[++yc]=c;for(a.a[c]=0;;){N=e=0;V=a.s+1;q=1;b:for(;q<=a.y[c];++q){g=a.F[c][q];for(A=1;A<=ec;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.a[g]&&(++N,a.a[g]<V&&(e=g,V=a.a[g]))}if(0==e){if(0==ca)break a;Gd[c]=!0;c=l[ca--]}else break}f=c;c=e;1<N&&(l[++ca]=f,O[e]=!0)}Hd=v(I,r,-1,a.t+1,1);Id=v(I,r,-1,a.s+1,1);if(a.k.Ib){var BG=vb,BK=ec,bs,CG,fh,ue,cs,ds,Ka,nj,es;fh=v(I,r,-1,a.s+1,1);for(Ka=1;Ka<=a.s;++Ka)fh[b[Ka]]=Ka;cs=v(CF, -k,-1,a.t+1,2);for(Ka=1;Ka<=a.s;++Ka)bs=b[Ka],CG=BG[bs],ue=uF(a,bs,CG),0!=ue&&(HF(a,ue,fh,Hd,H),cs[ue]=!0);for(Ka=1;Ka<=a.t;++Ka)cs[Ka]||HF(a,Ka,fh,Hd,H);Ka=1;a:for(;Ka<=a.s;++Ka)if(!(2>a.y[Ka]||4<a.y[Ka])){ds=es=0;for(nj=1;nj<=a.y[Ka];++nj){ue=uF(a,Ka,a.F[Ka][nj]);if(5==a.f[ue])continue a;1==a.r[ue]&&0!=IF(a,ue,Ka)&&++es;2==a.r[ue]&&(ds=a.F[Ka][nj])}if(0!=es)if(0<ds){var ga=a,EG=Ka,af=fh,Oc=Id,gc=void 0,oj=void 0,Cc=void 0,ve=void 0,Dc=void 0,qm=void 0,rm=void 0,sm=void 0,Ld=void 0,Pc=void 0,Qc=void 0, -fs=void 0,pj=void 0,Md=void 0,qj=void 0,we=void 0,rj=void 0,gs=void 0,sj=void 0,xe=void 0,FG=void 0,bf=void 0,GG=void 0,hs=void 0,tj=void 0,cf=void 0,Qc=1,oj=EG,gc=v(I,r,-1,ga.s+1,1);for(gc[1]=EG;;){fs=!1;for(Pc=1;Pc<=ga.y[oj];++Pc)if(Cc=ga.F[oj][Pc],!(Cc==gc[1]||Cc==gc[Qc-1]))if(ve=uF(ga,oj,Cc),2==ga.r[ve]&&5!=ga.f[ve]){oj=gc[++Qc]=Cc;fs=!0;break}if(!fs)break}if(!(0==Qc%2||2>ga.y[gc[Qc]]||3<ga.y[gc[Qc]])){cf=gc[1];Dc=gc[~~((Qc+1)/2)];Ld=gc[Qc];bf=xe=we=Md=0;hs=gs=!1;for(Pc=1;Pc<=ga.y[cf];++Pc)Cc= -ga.F[cf][Pc],ve=uF(ga,cf,Cc),1!=ga.r[ve]||5==ga.f[ve]||(0==Md?Md=Cc:we=Cc);0<af[we]&&af[Md]>af[we]&&(qm=Md,Md=we,we=qm);pj=Md;0==Md&&(pj=we,gs=!0);for(Pc=1;Pc<=ga.y[Ld];++Pc)Cc=ga.F[Ld][Pc],ve=uF(ga,Ld,Cc),1!=ga.r[ve]||5==ga.f[ve]||(0==xe?xe=Cc:bf=Cc);0<af[bf]&&af[xe]>af[bf]&&(qm=xe,xe=bf,bf=qm);sj=xe;0==xe&&(sj=bf,hs=!0);qj=IF(ga,uF(ga,cf,Md),cf);rj=IF(ga,uF(ga,cf,we),cf);FG=IF(ga,uF(ga,Ld,xe),Ld);GG=IF(ga,uF(ga,Ld,bf),Ld);1<(0>qj+rj?-(qj+rj):qj+rj)||0!=FG||0!=GG?fq(ga.k,"Bad stereoinfo on allene !"): -(rm=ga.I[gc[Qc-1]]-ga.I[Ld],sm=ga.L[gc[Qc-1]]-ga.L[Ld],tj=Math.sqrt(rm*rm+sm*sm),0.001>tj&&(tj=0.001),0<(ga.L[sj]-ga.L[gc[Qc-1]])*(rm/tj)-(ga.I[sj]-ga.I[gc[Qc-1]])*(sm/tj)?Oc[Dc]=1:Oc[Dc]=-1,gs&&(Oc[Dc]*=-1),hs&&(Oc[Dc]*=-1),pj==Md&&0>qj&&(Oc[Dc]*=-1),pj==we&&0>rj&&(Oc[Dc]*=-1),af[pj]>af[sj]&&(Oc[Dc]*=-1))}}else b:{var qb=a,Wa=Ka,is=BG,HG=fh,IG=o,JG=n,CK=BK,tm=Id,um=void 0,Rc=void 0,js=void 0,gh=void 0,ya=void 0,hh=void 0,nd=void 0,uj=void 0,Nd=void 0,Lb=void 0,da=void 0,ba=void 0,ye=void 0,vm=void 0, -Sc=void 0,F=void 0,wm=void 0,ba=v(I,r,-1,4,1),vm=v(I,r,-1,4,1),vj=void 0,Tc=void 0,xm=void 0,ym=void 0,ks=void 0,wj=void 0,wj=-1;0<is[Wa]&&(ba[++wj]=is[Wa]);for(Tc=1;Tc<=CK;++Tc)IG[Tc]==Wa&&(ba[++wj]=JG[Tc]),JG[Tc]==Wa&&(ba[++wj]=IG[Tc]);for(Tc=wj+1;Tc<qb.y[Wa];++Tc){ks=qb.s+1;xm=1;c:for(;xm<=qb.y[Wa];++xm){vj=qb.F[Wa][xm];for(ym=0;ym<Tc;++ym)if(vj==ba[ym])continue c;HG[vj]<ks&&(ks=HG[vj],ba[Tc]=vj)}}0==is[Wa]&&0<qb.w[Wa]?(ba[3]=ba[2],ba[2]=ba[1],ba[1]=ba[0],ba[0]=-1):0<qb.w[Wa]&&(ba[3]=ba[2],ba[2]= -ba[1],ba[1]=-1);for(ya=uj=hh=gh=wm=nd=Lb=0;4>ya;++ya)0>=ba[ya]||(um=uF(qb,Wa,ba[ya]),vm[ya]=IF(qb,um,Wa),0<vm[ya]?(++Lb,wm=ba[ya],hh=ba[ya]):0>vm[ya]?(++nd,gh=ba[ya],hh=ba[ya]):uj=ba[ya]);Nd=Lb+nd;F=v(I,r,-1,4,1);Sc=0;if(3==qb.y[Wa]){if(1==Lb&&1==nd||3==Nd&&0<Lb&&0<nd){fq(qb.k,"Error in C3H stereospecification !");break b}ye=ba[0];1==Nd?ye=hh:2==Nd&&(ye=uj);da=sF(qb,Wa,ye,ba);F[0]=hh;F[1]=-1;F[2]=da[2];F[3]=da[1];0<Lb?Sc=1:Sc=-1}else if(4==qb.y[Wa])if(1==Nd)da=sF(qb,Wa,hh,ba),F[0]=da[0],F[1]=da[3], -F[2]=da[2],F[3]=da[1],0<Lb?Sc=1:Sc=-1;else{ye=ba[0];1<uj&&(ye=uj);1==Lb?ye=wm:1==nd&&(ye=gh);da=sF(qb,Wa,ye,ba);Rc=v(I,r,-1,4,1);for(ya=0;4>ya;++ya)um=uF(qb,Wa,da[ya]),Rc[ya]=IF(qb,um,Wa);if(4==Nd){if(0==Lb||0==nd){fq(qb.k,"Error in C4 stereospecification !");break b}if(1==Lb||1==nd)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],Sc=Rc[0];else{for(ya=0;4>ya;++ya)-1==Rc[ya]&&(Rc[ya]=0);Nd=2}}else if(3==Nd)if(3==Lb||3==nd)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],0<Lb?Sc=-1:Sc=1;else{1==Lb?Lb=js=1:nd= -js=-1;for(ya=0;4>ya;++ya)Rc[ya]==js&&(Rc[ya]=0);Nd=2}if(2==Nd)if(1==Lb&&1==nd)da[1]==gh?(da[1]=da[2],da[2]=da[3]):da[2]==gh&&(da[2]=da[3]),F[0]=wm,F[1]=gh,F[2]=da[2],F[3]=da[1],Sc=1;else{if(Rc[0]==Rc[1]||Rc[1]==Rc[2]){fq(qb.k,"Error in C4 stereospecification ! 2/0r");break b}0!=Rc[0]?(F[0]=da[0],F[1]=da[2],F[2]=da[1],F[3]=da[3]):(F[0]=da[1],F[1]=da[3],F[2]=da[2],F[3]=da[0]);1<Lb?Sc=1:Sc=-1}}var kb=void 0;ba[0]==F[1]?(kb=F[0],F[0]=F[1],F[1]=kb,kb=F[2],F[2]=F[3],F[3]=kb):ba[0]==F[2]?(kb=F[2],F[2]=F[0], -F[0]=kb,kb=F[1],F[1]=F[3],F[3]=kb):ba[0]==F[3]&&(kb=F[3],F[3]=F[0],F[0]=kb,kb=F[1],F[1]=F[2],F[2]=kb);ba[1]==F[2]?(kb=F[1],F[1]=F[2],F[2]=kb,kb=F[2],F[2]=F[3],F[3]=kb):ba[1]==F[3]&&(kb=F[1],F[1]=F[3],F[3]=kb,kb=F[2],F[2]=F[3],F[3]=kb);F[2]==ba[2]?tm[Wa]=1:F[2]==ba[3]?tm[Wa]=-1:fq(qb.k,"Error in stereoprocessing ! - t30");tm[Wa]*=Sc}}}ib=new aD;i=v(I,r,-1,a.s+1,1);for(q=1;q<=a.s;++q)i[b[q]]=q;for(q=1;q<=a.s;++q){c=b[q];O[c]&&Vm(ib.a,ua);0<vb[q]&&JF(a,c,vb[c],ib,Hd);var ih=w[c],Cb=void 0,xj=void 0, -jh=void 0,R=void 0,R=Lc,Cb=!1;0!=a.z[c]&&(Cb=!0);0!=Id[c]&&(Cb=!0);jh=-1;for(xj=1;xj<=a.x;++xj)if(a.p[xj][0]==c){jh=a.p[xj][1];break}-1<jh&&(Cb=!0);a.k.Hb&&0<a.d[c]&&(Cb=!0,jh=1);switch(a.b[c]){case 2:R=Bb;break;case 3:ih?R="c":R=Fb;break;case 4:ih?(R=rf,0<a.w[c]&&(Cb=!0)):R=cc;break;case 5:ih?R="o":R=lc;break;case 7:ih?(R="p",0<a.w[c]&&(Cb=!0)):R=nc;break;case 8:ih?R=cg:R=Ac;break;case 13:ih?R=fg:R=Fc;Cb=!0;break;case 6:R=Gc;Cb=!0;break;case 9:R=Pb;break;case 10:R=Jb;break;case 11:R=Eb;break;case 12:R= -Vb;break;case 1:R=Tb;Cb=!0;break;case 19:R=oc;Cb=!0;break;case 20:R=pc;Cb=!0;break;case 21:R=qc;Cb=!0;break;case 22:R=rc;Cb=!0;break;case 18:Cb=!0,R=a.n[c],(E(R,xa)||E(R,Wc)||E(R,wb))&&(Cb=!1)}Cb&&(R=Mc+R,1==Id[c]?R+=ub:-1==Id[c]&&(R+="@@"),1==a.w[c]?R+=Tb:1<a.w[c]&&(R+=Tb+a.w[c]),0!=a.z[c]&&(0<a.z[c]?R+=za:R+=Ca,1<Dj(a.z[c])&&(R+=Dj(a.z[c]))),-1<jh&&(R+=mb+jh),R+=Uc);Vm(ib.a,R);for(A=1;A<=ec;++A)if(o[A]==c||n[A]==c)d=n[A],d==c&&(d=o[A]),i[c]<i[d]&&JF(a,o[A],n[A],ib,Hd),9<A&&Vm(ib.a,"%"),Wm(ib,j+ -(new T(A)).a);Gd[c]&&Vm(ib.a,va)}return Kn(ib.a)} -function KE(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)gC(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function LE(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&KE(a,c);0==a.y[d]&&KE(a,d)} -function DF(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=uF(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&KE(a,c)}}}function AF(a){var b;b=a.b.length;a.F=zr([b,7]);a.y=v(I,r,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function FF(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(I,r,-1,a.t+1,1);o=v(CF,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[uF(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:BF(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(CF,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function ZD(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=M(L(TC((a.I[b]+a.I[c])/2))),a.M[d]=M(L(TC((a.L[b]+a.L[c])/2)))}function EF(a,b){var c;for(c=1;c<=a.t;++c)vE(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function tE(a,b){var c;c=(FD(),ZB)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function BF(a,b){return 2==a.r[b]?!0:!1}function vE(a,b,c){var d,e,f,g;g=1;a.a=v(I,r,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function XE(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=zr([b+5,2]),bD(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function XB(a){var b;a.x=0;a.q=0;hF(a);for(b=1;b<=a.s;++b)a.C=b,XE(a);a.C=0} -function JE(a){var b,c;b=v(WD,k,-1,4,1);XD(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function SD(a,b){var c,d,e,f,g,i,h,l;c=v(WD,k,-1,4,1);XD(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;XD(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function fF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function NE(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Mc)&&UC(c,Uc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Tb);g=Cj(c.indexOf(za),c.indexOf(Ca));if(-1<d){i=mu(c,d+1);try{a.k.x=oB(i,10)}catch(h){if(h=xi(h),y(h,73))a.k.x=0;else throw h;}a.C=b;XE(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=E(d,Fb)?3:E(d,Bb)?2:E(d,cc)?4:E(d,lc)?5:E(d,nc)?7:E(d,Ac)?8:E(d,Pb)?9:E(d,Jb)?10:E(d,Eb)?11:E(d,Vb)?12:E(d,Tb)?1:E(d,Fc)?13:E(d,Gc)?6:E(d,oc)?19:E(d,pc)?20:E(d,qc)?21:E(d,rc)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ea;d=0;0<e&&(d=1,e=CC(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=CC(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=CC(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=CC(c,g++);for(;45==e;)--d,e=CC(c,g++)}a.z[b]=d}}} -function bC(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new IB(b);try{for(;b.j=BB(b,b.a),b.j<b.i;)d=PC(oB(EB(b),10)).a,c=e=PC(oB(EB(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=xi(f),y(f,73))Tm(f);else throw f;}}function JF(a,b,c,d,e){b=uF(a,b,c);5!=a.f[b]&&BF(a,b)?Vm(d.a,rb):3==a.r[b]?Vm(d.a,ma):9==a.r[b]?(e=tb,a=a.e[b],null!=a&&(e=a),Vm(d.a,e)):1==e[b]?Vm(d.a,Ya):-1==e[b]&&Vm(d.a,Nc)} -function YE(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,fq(a.k,"Stereomarking meaningless on this bond !");else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:fq(a.k,"Stereomarking allowed only on single and double bonds!")} -function HF(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=uF(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=uF(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=uF(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=uF(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,q=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))fq(a.k,"Not unique E/Z geometry !");else{i=uF(a,b,e);f=uF(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=uF(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function zF(a,b){var c,d,e;e=0;for(d=1;d<=a.y[b];++d)if(c=uF(a,b,a.F[b][d]),1==a.r[c])e+=1;else if(BF(a,c))e+=2;else if(3==a.r[c])e+=3;else if(9==a.r[c])return-1;return e}function IF(a,b,c){var d;d=a.A[b];return 1>d||4<d?0:1==d&&a.G[b]==c?1:2==d&&a.G[b]==c?-1:3==d&&a.H[b]==c?1:4==d&&a.H[b]==c?-1:0} -function ME(a){var b;for(b=1;b<=a.s;++b){var c=a,d=b,e=void 0,e=zF(c,d);if(-1==e)c.w[d]=0;else{switch(c.b[d]){case 1:2==e?c.z[d]=1:c.z[d]=0;c.w[d]=0;break;case 2:3==e||5==e?(c.w[d]=0,c.z[d]=0):3>e?c.w[d]=3-e-c.z[d]:4==e?(c.z[d]=-1,c.w[d]=0):5<e&&(c.z[d]=e-5,c.w[d]=0);break;case 3:case 6:4>e?0<c.z[d]?c.w[d]=2-e+c.z[d]:0>c.z[d]?c.w[d]=2-e-c.z[d]:c.w[d]=4-e:(c.z[d]=e-4,c.w[d]=4-e+c.z[d]);break;case 4:case 7:3>e?c.w[d]=3-e+c.z[d]:3==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:(c.z[d]= -4==e?1:6==e?-1:e-5,c.w[d]=0);break;case 5:2==e&&(0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0);2<e&&(c.z[d]=e-2);c.w[d]=2-e+c.z[d];break;case 8:case 13:2>e?c.w[d]=2-e+c.z[d]:2==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:3==e?2==c.y[d]?(c.z[d]=0,c.w[d]=1):(c.z[d]=1,c.w[d]=0):4==e?(c.z[d]=0,c.w[d]=0):5==e?(c.z[d]=0,c.w[d]=1):(c.z[d]=e-6,c.w[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.z[d]=e-1);c.w[d]=1-e+c.z[d];2<e&&(c.z[d]=0,c.w[d]=0);break;case 19:case 18:c.w[d]= -0}0>c.w[d]&&(c.w[d]=0)}}}function $D(a){rF(this);this.k=a;this.x=this.t=this.s=0} -function AE(a,b){var c,d,e,f,g,i,h;$D.call(this,a);f=j;i=yE(b);if(null!=i){h=new HB(b,i,!0);for(e=1;4>=e;++e)f=zE(h,i);g=PC(oB(Gn(f.substr(0,3)),10)).a;c=PC(oB(Gn(f.substr(3,3)),10)).a;for(e=1;e<=g;++e)ZE(this),f=zE(h,i),this.I[e]=(new OC(LC(Gn(f.substr(0,10))))).a,this.L[e]=-(new OC(LC(Gn(f.substr(10,10))))).a,d=34,34>f.length&&(d=f.length),d=Gn(f.substr(31,d-31)),NE(this,e,d),62<=f.length&&(f=Gn(f.substr(60,3)),0<f.length&&(f=PC(oB(f,10)).a,0<f&&(this.C=e,a.x=f,XE(this),this.C=0)));for(e=1;e<=c;++e)dF(this), -f=zE(h,i),this.G[e]=PC(oB(Gn(f.substr(0,3)),10)).a,this.H[e]=PC(oB(Gn(f.substr(3,3)),10)).a,g=PC(oB(Gn(f.substr(6,3)),10)).a,1==g?this.r[e]=1:2==g?this.r[e]=2:3==g?this.r[e]=3:this.r[e]=9,d=0,11<f.length&&(d=PC(oB(Gn(f.substr(9,3)),10)).a),1==g&&1==d&&(this.r[e]=1,this.A[e]=1),1==g&&6==d&&(this.r[e]=1,this.A[e]=2);AF(this);fF(this);YD(this);for(pC(this);(h.j=BB(h,h.a),h.j<h.i)&&!(null==(f=EB(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new GB(f);EB(g);EB(g);i=PC(oB(EB(g),10)).a; -for(e=1;e<=i;++e)c=PC(oB(EB(g),10)).a,this.z[c]=PC(oB(EB(g),10)).a}if(0==f.indexOf("M APO")){g=new GB(f);EB(g);EB(g);i=PC(oB(EB(g),10)).a;for(e=1;e<=i;++e)c=PC(oB(EB(g),10)).a,f=PC(oB(EB(g),10)).a,this.C=c,$(this,0),NE(this,this.s,oc+f),this.C=0}}DF(this);pC(this)}} -function oC(a,b){var c,d,e,f,g;$D.call(this,a);0==b.indexOf(ha)&&(b=b.substr(1,b.length-1));UC(b,ha)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.s=0;else{try{f=new GB(b);d=PC(oB(EB(f),10)).a;e=PC(oB(EB(f),10)).a;for(c=1;c<=d;++c)g=EB(f),ZE(this),NE(this,this.s,g),this.I[c]=(new OC(LC(EB(f)))).a,this.L[c]=-(new OC(LC(EB(f)))).a;for(c=1;c<=e;++c)if(dF(this),this.G[c]=PC(oB(EB(f),10)).a,this.H[c]=PC(oB(EB(f),10)).a,this.r[c]=PC(oB(EB(f),10)).a,-1==this.r[c])this.r[c]=1,this.A[c]=1;else if(-2==this.r[c])this.r[c]= -1,this.A[c]=2;else if(-5==this.r[c])this.r[c]=2,this.A[c]=10;else 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f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,r,-1,9,1);l=v(H,r,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(zG(b,!1),AG(b,NG(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function TG(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,CE);iC(d,0,0,b,c);a.nb?(X(d,(vB(),AB)),c=13*(a.Y+a.S),yG(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,JB(CE)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,dG),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)xG(a,d,b,1),xG(a,d,b,2);a.c=c;KG(a.Ob,a.Lb,0,0)}} -function DG(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);CG(a,b,c+m-i,f,d-4-i-1,e,h)} -function UG(a,b){var c,d,e,f,g,i,h;HE(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=VG(b);h=new RD(b,g,!0);d=j;for(c=1;5>=c;++c)d=WG(h,g);c=kF(yD(jo(d.substr(0,3)),10)).b;f=kF(yD(jo(d.substr(3,3)),10)).b;WG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=WG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new XG(a,e)}rG(a,1,c,1);rG(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new XG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",bE(a),!1;null!=a.i&&a.Z&&wE(a.Z,a.i,!0);null!=a.j&& -a.Z&&wE(a.Z,a.j,!1);g=YG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new ZG(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];rG(a,1,g,0)}bE(a);return!0} -function $G(a,b){var c,d,e,f,g,i,h,l;HE(a);c=f=0;l=new RD(b,"|>",!0);e=-1<b.indexOf(sb);i=1;g=KD(l);a.tb=0;for(d=1;d<=g;++d)if(h=OD(l),jo(h),!D(h,jh))if(D(h,sb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new LE(a,h);if(0==a.Z.t)return NE(a,"ERROR - problems in reading/processing molecule !"),kD(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return NE(a,"ERROR - strange reaction - fixing !"),kD(),!1;if(3<i)return NE(a,"ERROR - strange reaction !"),kD(),!1;1<a.tb&&!e&&qE(a,Ff);e&&!a.Bb&&qE(a,fg);!e&&a.Bb&& -qE(a,Jf);e?(rG(a,1,f,1),rG(a,f+1,c-1,2),rG(a,c,a.tb,3)):rG(a,1,a.tb,0);bE(a);return!0}function es(a,b){a.jb=!0;a.J=b} -function is(a,b){var c,d;if(0==b)return!1;pG(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:DE(a);d=a.$;d.b=d.c;d.c.d=null;aH(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;bH(a,ZF(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new qw("Cannot redo. Index is out of range."); -if(!d.b.d)throw new qw(dc);d.b=d.b.d;bH(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=gv(d,d.b)):d=null;null==d?(a.jb=!0,a.J=lc):(es(a,hc+(a.Db.b+1)+ca+a.Db.d),d=rF(d),xE(a,d,!1),null!=a.rb&&TD(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=gv(d,d.b)):d=null;null==d?(a.jb=!0,a.J=lc):(es(a,hc+(a.Db.b+1)+ca+a.Db.d),d=rF(d),xE(a,d,!1),null!=a.rb&&TD(a.rb,null));break;case 101:a.Gb&&TF(a.Gb);a.Gb=new cH(1,a);a.c=c;break;case 107:!a.zb?a.zb=new dH(a):a.zb.ac.d.hb?eH(a.zb.ac.d): -AE(a.zb);break;case 113:a.b&&TF(a.b);a.b=new cH(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,rE(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=fH(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(sG,k,-1,4,1);tG(a.Z,d);a.lb=!0;a.Z=new iG(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;ME(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,gH(a.Z,a.Z.D),a.Z.D=0,qG(a)):0<a.Z.E&&(a.lb=!0,hH(a.Z,a.Z.E), -a.Z.E=0,qG(a));iH(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new CC;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new uC(c),AC(i,g),g.d=c,PA(g.e,a);Nz(a,i);a.E=i}BC(a.E,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(TF(a.o),a.o=null);0==a.Z.D&&(a.o=new cH(2,a));a.d=18; -break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,qG(a)),18==a.d&&(d=ro((fs(),gs).ac.b.pb,bh),jH(a.Z,a.Z.D,d),qG(a)),iH(a.Z))}bE(a);return!0} -function Cr(a){var b,c,d;d=OE(a);c=j;if(a.Bb){var e,f,g;g=Mt([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)fH(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(kH(g[1][0],3)+kH(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+lH(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+lH(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new mH(a,a.fb,a.tb)),c=lH(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function nH(a,b,c,d){var e;e=c;var f=d,g,i;(g=oH(b),i=0!=(b.f&2),g||i)?(a.Bb?BC((!a.w&&(a.w=nE(a,!0)),a.w),a,e,f):BC((!a.v&&(a.v=nE(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=pH(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=oE+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",bE(a), -!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=is(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)gH(a.Z,a.Z.D),a.Z.D=0,qG(a);else{if(106==a.c)return!0;if(108==a.c)qH(a.Z,a.Z.D,0),qG(a);else if(157==a.c)qH(a.Z,a.Z.D,1),qG(a);else if(158==a.c)qH(a.Z,a.Z.D,-1),qG(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):qG(a); -else if(206<=a.c&&229>=a.c)a.O=2,rH(a.Z),qG(a);else if(230==a.c)a.O=3,qG(a);else if(233<=a.c&&262>a.c)sH(a.Z,!1),qG(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;jH(a.Z,a.Z.D,ro(a.zb.f.ac.b.pb,bh));qG(a)}else if(105==a.c)tH(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=ro((fs(),gs).ac.b.pb,bh),1>d.length&&(d=Sc),jH(a.Z,a.Z.D,d)),qG(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,rH(a.Z),qG(a);else if(0<a.Z.E)if(104==a.c)hH(a.Z, -a.Z.E),a.Z.E=0,qG(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])es(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;gH(d,c);d.b[c]=0}a.Z.E=0;qG(a)}else if(201==a.c)uH(a.Z,a.Z.E),qG(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),qG(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,qG(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,qG(a); -else if(206<=a.c&&229>=a.c)a.O=2,rH(a.Z),qG(a);else if(107==a.c){if(!a.zb.c)return!0;d=ro(a.zb.f.ac.b.pb,bh);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;qG(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new wG(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(vH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<= -a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,rH(a.Z)):300<a.c?(vH(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=ro((fs(),gs).ac.b.pb,bh),1>d.length&&(d=Sc),jH(a.Z,1,d))):230==a.c?vE(a,null):233<=a.c&&262>a.c?(vH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,sH(a.Z,!0)):kD();qG(a)}else e=!1;e&&(iH(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,bE(a))}return e} -function wH(a,b,c,d){var e,f;if(a.z||!a.hb||oH(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=xH(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.j[b.v];l=b.j[b.v-1];i=b.J[g]-b.J[l];h=b.M[g]-b.M[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.J[l];n=f-b.M[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.v)gH(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.j[0]]&&(m=b.G[b.j[0]][1],m==b.j[1]&&(m=b.G[b.j[0]][2]),i=b.J[b.j[0]]-b.J[m],h=b.M[b.j[0]]-b.M[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.J[m],n=f-b.M[m],e=n*i-o*h,o=b.J[b.j[1]]-b.J[m],n=b.M[b.j[1]]-b.M[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.j[0],$(b,0),hH(b,e),0<xH(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){es(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;$(b,L(K(Math.round(h))));b.j[b.v]=b.t;0<xH(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;es(b.n,e+j)}else i=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(i/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(pH(b)||oH(b))oG(a.Z,e),a.O= -5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=v(sG,k,-1,4,1);tG(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.c-b.n.Y&&0<h&&h<b.n.C.b-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;pG(a);a.lb=!0;bE(a);a.Mb=c;a.Nb=d;return!0} -function yH(a,b,c,d){var e,f,g;if(!a.z&&!oH(b)){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.tb;++b){e=a.fb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((bG(),gG)?350:170)+1,n=1;n<=e.u;++n)l=i-e.K[n],m=h-e.N[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;0<a.fb[b].D&&null!=a.qb&&TD(a.qb,F(nF,k,123,[new R(a.e),new R(a.Z.D)]));break a}else if(0<a.fb[b].D||0< -a.fb[b].E)a.fb[b].D=0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.tb;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;pG(a);a.lb=!0;bE(a)}0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}} -function zH(a){if(a.z)return!0;a.jb=!1;a.P=lh;if(1==a.O){if(205==a.c){var b=a.Z,c,d;b.C&&(c=xH(b,b.t),6>b.z[c]&&(AH(b),d=b.j[b.v-1],b.H[b.u]=c,b.I[b.u]=d,b.G[c][++b.z[c]]=d,b.G[d][++b.z[d]]=c),gH(b,b.t));b.C=!1;qG(a)}else a:{var b=a.Z,e,f;c=xH(b,b.t);if(0!=c){--b.t;for(f=1;f<b.u;++f)if(d=b.H[f],e=b.I[f],d==c&&e==b.F||d==b.F&&e==c){--b.u;--b.z[b.F];3>b.s[f]?(++b.s[f],b.B[f]=0):es(b.n,"Maximum allowed bond order is 3 !");break a}6==b.z[c]?(--b.u,--b.z[b.F],es(b.n,"Not possible connection !")):(b.I[b.u]= -c,b.G[c][++b.z[c]]=b.F,b.G[b.F][b.z[b.F]]=c,b.K[b.u]=L(K(oF((b.J[b.F]+b.J[c])/2))),b.N[b.u]=L(K(oF((b.M[b.F]+b.M[c])/2))))}}vG(a.Z);a.r&&(b=a.$,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,ZF(b),b.b.d=c),qG(a),a.r=!1)}else 5==a.O&&(vG(a.Z),qG(a));0<a.O&&(a.D=!1,pG(a),a.lb=!0,iH(a.Z),BH(a.Z),bE(a),a.O=0,a.f=!1);if(gG&&(0!=a.Z.E||0!=a.Z.D))a.Z.E=0,a.Z.D=0,pG(a),a.lb=!0,bE(a);return!0}function pG(a){a.kb=!1;a.mb=!1;a.lb=!1} -function qE(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Ab=!1:-1<b.indexOf("rbutton")&&(a.Ab=!0);-1<b.indexOf("nohydrogens")?a.Fb=!1:-1<b.indexOf("hydrogens")&&(a.Fb=!0);-1<b.indexOf("keephs")&&(a.N=!0);-1<b.indexOf("removehs")&&(a.N=!1);-1<b.indexOf("noquery")?a.yb=!1:-1<b.indexOf("query")&&(a.yb=!0);-1<b.indexOf(Jf)?a.Bb=!1:-1<b.indexOf(fg)&&(a.Bb=!0);-1<b.indexOf("noautoez")?a.p=!1:-1<b.indexOf("autoez")&&(a.p=!0);-1<b.indexOf("nostereo")?a.Jb=!1:-1<b.indexOf("stereo")&&(a.Jb=!0); 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)vH(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)vH(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)AH(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[QH(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[QH(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(H,r,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(oF((a.J[b]+a.J[e])/2))),a.N[c]=L(K(oF((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;AH(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(K(oF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(K(oF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(AH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(K(oF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(oF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(AH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(K(oF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(oF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(gH(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&SH(a,i);-1<l&&(a.D=l)} -function TH(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)vH(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function SH(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=xH(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function QH(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function UH(a,b,c){var d,e,f,g;e=lh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(yu(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)yu(c[d])&&!mu(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)su(c[d],e)&&(b[d]=g,c[d]=lh,++f);if(f==a.t)break}return g==a.t} -function uG(a){var b,c,d;b=v(sG,k,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{tG(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;vG(a)}} -function tG(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function qH(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=VH(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&es(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?es(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?es(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?es(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:es(a.n,"Charge change not possible on the halogen !");break;case 18:es(a.n, -"Use X button to change charge on the X atom !")}} -function YG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,r,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,r,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&gH(a,c);uG(a);es(a.n,"Smaller part(s) removed !");return 1} -function xH(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function BH(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];iH(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),iH(a));4==a.s[d]&&(a.s[d]=1)}} -function PH(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 ME(a){var b;WH(a);b=a.s.length;a.K=v(H,r,-1,b,1);a.N=v(H,r,-1,b,1);vG(a);iH(a)} -function vH(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,r,-1,c,1),yF(a.c,b,a.c.length),a.c=b,b=v(H,r,-1,c,1),yF(a.A,b,a.A.length),a.A=b,b=v(H,r,-1,c,1),yF(a.x,b,a.x.length),a.x=b,b=v(H,r,-1,c,1),yF(a.e,b,a.e.length),a.e=b,b=v(Xt,k,1,c,0),yF(a.d,b,a.d.length),a.d=b,b=v(Xt,k,1,c,0),yF(a.o,b,a.o.length),a.o=b,b=v(sG,k,-1,c,1),yF(a.J,b,a.J.length),a.J=b,b=v(sG,k,-1,c,1),yF(a.M,b,a.M.length),a.M=b,b=Mt([c,7]),yF(a.G,b,a.G.length),a.G=b,c=v(H,r,-1,c,1),yF(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function RG(a,b,c,d,e,f){var g;g=L(K(oF(a.J[b]-c/2)));f||(g-=d-c);a=L(K(oF(a.M[b]-~~(e/2))));return new wA(g-1-2,a-2,d+1+4,e+4)} -function AH(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,r,-1,b,1),yF(a.H,c,a.H.length),a.H=c,c=v(H,r,-1,b,1),yF(a.I,c,a.I.length),a.I=c,c=v(H,r,-1,b,1),yF(a.s,c,a.s.length),a.s=c,c=v(H,r,-1,b,1),yF(a.B,c,a.B.length),a.B=c,c=v(H,r,-1,b,1),yF(a.K,c,a.K.length),a.K=c,c=v(H,r,-1,b,1),yF(a.N,c,a.N.length),a.N=c,b=v(Xt,k,1,b,0),yF(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function lH(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(bG(),aa);i+="JME 2013-04-10 "+new MF+"\n \n";i+=kH(a.t,3)+kH(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=DH(0.055999999999999994*(a.J[e]-c),10,4)+DH(0.055999999999999994*(g-a.M[e]),10,4)+DH(0,10,4);h=QG(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+kH(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=kH(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:XH(a,e)&&(g=2),c=kH(a.H[e],3)+kH(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=kH(a.I[e],3)+kH(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=kH(a.I[e],3)+kH(a.H[e],3)),i+=c+kH(g,3)+kH(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+kH(e,4)+kH(a.A[e],4)+aa);return i+"M END\n"} -function EH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,B,J,P,Y,da,N,nc,Fc,ig,tb,Td,Ud,Vd,Va,Gc;o=v(H,r,-1,a.t+10,1);n=v(H,r,-1,a.t+10,1);l=v(H,r,-1,a.t+1,1);m=v(H,r,-1,7,1);tb=v(H,r,-1,a.t+1,1);w=v(YH,k,-1,a.t+1,2);G=v(YH,k,-1,a.u+1,2);nc=0;if(0==a.t)return j;YG(a,!0);ig=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){ig=!1;break}if(a.n.s&&ig){ZH(a);BH(a);$H(a,G);aI(a,w,G);var Eb,yd,hf,bc,De,zd,Ad,db,aJ,Yd,t,wa,dn,en,at,pf,Na,fn,gn,Jc,hn;Eb=v(H,r,-1,a.t+1,1);yd=v(H,r,-1,a.t+1,1);db=v(bI,k,-1,a.t+1,3);var bt=a.t,jn, -Bh,ct,ug,Oj,Je,qf;Oj=v(bI,k,-1,bt+2,3);Je=v(H,r,-1,100,1);qf=5;ug=0;Je[0]=3;Oj[1]=nh;Oj[2]=oh;ct=2;if(!(3>bt))for(;qf<Je[ug]*Je[ug];){Bh=0;for(jn=!0;jn&&Bh<=ug&&qf>=Je[Bh]*Je[Bh];)0==qf%Je[Bh]?jn=!1:++Bh;if(jn){Oj[++ct]=vu(qf);if(ct>=bt)break;ug<Je.length-1&&(++ug,Je[ug]=qf)}qf+=2}for(t=1;t<=a.t;++t){for(wa=gn=1;wa<=a.u;++wa)(a.H[wa]==t||a.I[wa]==t)&&(gn*=a.i[wa]);fn=a.c[t];18==fn&&(hn=a.o[t],zd=hn.charCodeAt(0)-65+1,Ad=0,1<hn.length&&(Ad=hn.charCodeAt(1)-97),0>zd&&(zd=0),0>Ad&&(Ad=0),fn=28*zd+Ad); -pf=0;-2>a.A[t]?pf=1:-2==a.A[t]?pf=2:-1==a.A[t]?pf=3:1==a.A[t]?pf=4:2==a.A[t]?pf=5:2<a.A[t]&&(pf=6);Jc=1;db[t]=vu(gn);Jc*=126;db[t]=qu(db[t],vu(a.x[t]*Jc));Jc*=7;db[t]=qu(db[t],vu(pf*Jc));Jc*=7;db[t]=qu(db[t],vu(fn*Jc));Jc*=783;db[t]=qu(db[t],vu(a.z[t]*Jc))}for(De=0;!UH(a,Eb,db);){at=!1;for(t=1;t<=a.t;++t)Eb[t]!=yd[t]&&(yd[t]=Eb[t],at=!0);if(at){for(t=1;t<=a.t;++t){db[t]=mh;for(wa=1;wa<=a.z[t];++wa)db[t]=zu(db[t],Oj[Eb[a.G[t][wa]]])}De=0}else if(0<De){for(t=1;t<=a.t;++t)db[t]=mh;t=1;a:for(;t<=a.t- -1;++t)for(wa=t+1;wa<=a.t;++wa)if(Eb[t]==Eb[wa]){db[t]=nh;break a}}else{for(t=1;t<=a.t;++t){db[t]=mh;for(wa=1;wa<=a.z[t];++wa)hf=a.G[t][wa],db[t]=zu(db[t],vu(a.c[hf]*a.i[QH(a,t,hf)]))}De=1}UH(a,Eb,db);for(t=1;t<=a.t;++t)db[t]=vu(yd[t]*a.t+Eb[t])}for(t=1;t<=a.t;++t)yd[t]=Eb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(yd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];yd[t]=yd[Na];yd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Eb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Eb[a.H[t]],a.I[t]=Eb[a.I[t]],a.H[t]>a.I[t]&&(Yd=a.H[t],a.H[t]=a.I[t],a.I[t]=Yd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){en=dn= -a.t;bc=0;for(wa=t;wa<=a.u;++wa)a.H[wa]<dn?(dn=a.H[wa],en=a.I[wa],bc=wa):a.H[wa]==dn&&a.I[wa]<en&&(en=a.I[wa],bc=wa);Yd=a.H[t];a.H[t]=a.H[bc];a.H[bc]=Yd;Yd=a.I[t];a.I[t]=a.I[bc];a.I[bc]=Yd;Yd=a.s[t];a.s[t]=a.s[bc];a.s[bc]=Yd;Yd=a.B[t];a.B[t]=a.B[bc];a.B[bc]=Yd;aJ=a.f[t];a.f[t]=a.f[bc];a.f[bc]=aJ}ME(a);iH(a);$H(a,G);aI(a,w,G)}else{$H(a,G);a.i=v(H,r,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,r,-1,a.t+1,1);Gc=1;a.b[1]=1;for(da=0;;){N=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=tb[c]){Fc=!0;for(J=1;J<=nc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Fc=!1;break}Fc&&(++nc,o[nc]=c,n[nc]=g)}}else m[++N]=g;if(0==N){if(Gc==a.t)break;c=l[da--]}else if(1==N)tb[m[1]]=c,c=m[1],a.b[c]=++Gc;else{l[++da]=c;e=0;for(q=1;q<=N;++q)if(h=QH(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=QH(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);tb[e]=c;c=e;a.b[e]=++Gc}}tb=v(H,r,-1,a.t+1,1);b=v(H,r,-1,a.t+1,1);P=v(YH,k,-1,a.t+1,2);Td=v(YH,k,-1,a.t+1,2);f=Gc=da=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(tb[c]=f);b[++Gc]=c;for(a.b[c]=0;;){N=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(B=1;B<=nc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.b[g]&&(++N,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Td[c]=!0;c=l[da--]}else break}f=c;c=e;1<N&&(l[++da]=f,P[e]=!0)}Ud=v(H,r,-1,a.u+1,1);Vd=v(H,r,-1,a.t+1,1);if(a.n.Jb){var cJ=tb,mN=nc,dt,dJ,Ch,Ke,et,ft,Ma,Pj,gt;Ch=v(H,r,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)Ch[b[Ma]]=Ma;et=v(YH, -k,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)dt=b[Ma],dJ=cJ[dt],Ke=QH(a,dt,dJ),0!=Ke&&(cI(a,Ke,Ch,Ud,G),et[Ke]=!0);for(Ma=1;Ma<=a.u;++Ma)et[Ma]||cI(a,Ma,Ch,Ud,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){ft=gt=0;for(Pj=1;Pj<=a.z[Ma];++Pj){Ke=QH(a,Ma,a.G[Ma][Pj]);if(5==a.i[Ke])continue a;1==a.s[Ke]&&0!=dI(a,Ke,Ma)&&++gt;2==a.s[Ke]&&(ft=a.G[Ma][Pj])}if(0!=gt)if(0<ft){var ia=a,fJ=Ma,rf=Ch,Xc=Vd,pc=void 0,Qj=void 0,Kc=void 0,Le=void 0,Lc=void 0,kn=void 0,ln=void 0,mn=void 0,Zd=void 0,Yc=void 0,Zc=void 0, -ht=void 0,Rj=void 0,$d=void 0,Sj=void 0,Me=void 0,Tj=void 0,it=void 0,Uj=void 0,Ne=void 0,gJ=void 0,sf=void 0,hJ=void 0,jt=void 0,Vj=void 0,tf=void 0,Zc=1,Qj=fJ,pc=v(H,r,-1,ia.t+1,1);for(pc[1]=fJ;;){ht=!1;for(Yc=1;Yc<=ia.z[Qj];++Yc)if(Kc=ia.G[Qj][Yc],!(Kc==pc[1]||Kc==pc[Zc-1]))if(Le=QH(ia,Qj,Kc),2==ia.s[Le]&&5!=ia.i[Le]){Qj=pc[++Zc]=Kc;ht=!0;break}if(!ht)break}if(!(0==Zc%2||2>ia.z[pc[Zc]]||3<ia.z[pc[Zc]])){tf=pc[1];Lc=pc[~~((Zc+1)/2)];Zd=pc[Zc];sf=Ne=Me=$d=0;jt=it=!1;for(Yc=1;Yc<=ia.z[tf];++Yc)Kc= -ia.G[tf][Yc],Le=QH(ia,tf,Kc),1!=ia.s[Le]||5==ia.i[Le]||(0==$d?$d=Kc:Me=Kc);0<rf[Me]&&rf[$d]>rf[Me]&&(kn=$d,$d=Me,Me=kn);Rj=$d;0==$d&&(Rj=Me,it=!0);for(Yc=1;Yc<=ia.z[Zd];++Yc)Kc=ia.G[Zd][Yc],Le=QH(ia,Zd,Kc),1!=ia.s[Le]||5==ia.i[Le]||(0==Ne?Ne=Kc:sf=Kc);0<rf[sf]&&rf[Ne]>rf[sf]&&(kn=Ne,Ne=sf,sf=kn);Uj=Ne;0==Ne&&(Uj=sf,jt=!0);Sj=dI(ia,QH(ia,tf,$d),tf);Tj=dI(ia,QH(ia,tf,Me),tf);gJ=dI(ia,QH(ia,Zd,Ne),Zd);hJ=dI(ia,QH(ia,Zd,sf),Zd);1<(0>Sj+Tj?-(Sj+Tj):Sj+Tj)||0!=gJ||0!=hJ?es(ia.n,"Bad stereoinfo on allene !"): -(ln=ia.J[pc[Zc-1]]-ia.J[Zd],mn=ia.M[pc[Zc-1]]-ia.M[Zd],Vj=Math.sqrt(ln*ln+mn*mn),0.001>Vj&&(Vj=0.001),0<(ia.M[Uj]-ia.M[pc[Zc-1]])*(ln/Vj)-(ia.J[Uj]-ia.J[pc[Zc-1]])*(mn/Vj)?Xc[Lc]=1:Xc[Lc]=-1,it&&(Xc[Lc]*=-1),jt&&(Xc[Lc]*=-1),Rj==$d&&0>Sj&&(Xc[Lc]*=-1),Rj==Me&&0>Tj&&(Xc[Lc]*=-1),rf[Rj]>rf[Uj]&&(Xc[Lc]*=-1))}}else b:{var qc=a,rc=Ma,nN=cJ,oN=Ch,pN=o,qN=n,rN=mN,nn=Vd,on=void 0,$c=void 0,kt=void 0,Dh=void 0,za=void 0,Eh=void 0,Cd=void 0,Wj=void 0,ae=void 0,Ob=void 0,ea=void 0,Gb=void 0,Oe=void 0,pn=void 0, -ad=void 0,la=void 0,qn=void 0,Gb=v(H,r,-1,4,1),pn=v(H,r,-1,4,1),Fh=qc,be=rc,iJ=oN,lt=nN,jJ=pN,kJ=qN,sN=rN,Hb=Gb,Xj=void 0,bd=void 0,rn=void 0,sn=void 0,mt=void 0,Yj=void 0,Yj=-1;0<lt[be]&&(Hb[++Yj]=lt[be]);for(bd=1;bd<=sN;++bd)jJ[bd]==be&&(Hb[++Yj]=kJ[bd]),kJ[bd]==be&&(Hb[++Yj]=jJ[bd]);for(bd=Yj+1;bd<Fh.z[be];++bd){mt=Fh.t+1;rn=1;c:for(;rn<=Fh.z[be];++rn){Xj=Fh.G[be][rn];for(sn=0;sn<bd;++sn)if(Xj==Hb[sn])continue c;iJ[Xj]<mt&&(mt=iJ[Xj],Hb[bd]=Xj)}}0==lt[be]&&0<Fh.x[be]?(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]= -Hb[0],Hb[0]=-1):0<Fh.x[be]&&(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=-1);for(za=Wj=Eh=Dh=qn=Cd=Ob=0;4>za;++za)0>=Gb[za]||(on=QH(qc,rc,Gb[za]),pn[za]=dI(qc,on,rc),0<pn[za]?(++Ob,qn=Gb[za],Eh=Gb[za]):0>pn[za]?(++Cd,Dh=Gb[za],Eh=Gb[za]):Wj=Gb[za]);ae=Ob+Cd;la=v(H,r,-1,4,1);ad=0;if(3==qc.z[rc]){if(1==Ob&&1==Cd||3==ae&&0<Ob&&0<Cd){es(qc.n,"Error in C3H stereospecification !");break b}Oe=Gb[0];1==ae?Oe=Eh:2==ae&&(Oe=Wj);ea=OH(qc,rc,Oe,Gb);la[0]=Eh;la[1]=-1;la[2]=ea[2];la[3]=ea[1];0<Ob?ad=1:ad=-1}else if(4==qc.z[rc])if(1== -ae)ea=OH(qc,rc,Eh,Gb),la[0]=ea[0],la[1]=ea[3],la[2]=ea[2],la[3]=ea[1],0<Ob?ad=1:ad=-1;else{Oe=Gb[0];1<Wj&&(Oe=Wj);1==Ob?Oe=qn:1==Cd&&(Oe=Dh);ea=OH(qc,rc,Oe,Gb);$c=v(H,r,-1,4,1);for(za=0;4>za;++za)on=QH(qc,rc,ea[za]),$c[za]=dI(qc,on,rc);if(4==ae){if(0==Ob||0==Cd){es(qc.n,"Error in C4 stereospecification !");break b}if(1==Ob||1==Cd)la[0]=ea[0],la[1]=ea[3],la[2]=ea[2],la[3]=ea[1],ad=$c[0];else{for(za=0;4>za;++za)-1==$c[za]&&($c[za]=0);ae=2}}else if(3==ae)if(3==Ob||3==Cd)la[0]=ea[0],la[1]=ea[3],la[2]= -ea[2],la[3]=ea[1],0<Ob?ad=-1:ad=1;else{1==Ob?Ob=kt=1:Cd=kt=-1;for(za=0;4>za;++za)$c[za]==kt&&($c[za]=0);ae=2}if(2==ae)if(1==Ob&&1==Cd)ea[1]==Dh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==Dh&&(ea[2]=ea[3]),la[0]=qn,la[1]=Dh,la[2]=ea[2],la[3]=ea[1],ad=1;else{if($c[0]==$c[1]||$c[1]==$c[2]){es(qc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=$c[0]?(la[0]=ea[0],la[1]=ea[2],la[2]=ea[1],la[3]=ea[3]):(la[0]=ea[1],la[1]=ea[3],la[2]=ea[2],la[3]=ea[0]);1<Ob?ad=1:ad=-1}}var W=la,Zj=Gb,jb=void 0;Zj[0]==W[1]?(jb= -W[0],W[0]=W[1],W[1]=jb,jb=W[2],W[2]=W[3],W[3]=jb):Zj[0]==W[2]?(jb=W[2],W[2]=W[0],W[0]=jb,jb=W[1],W[1]=W[3],W[3]=jb):Zj[0]==W[3]&&(jb=W[3],W[3]=W[0],W[0]=jb,jb=W[1],W[1]=W[2],W[2]=jb);Zj[1]==W[2]?(jb=W[1],W[1]=W[2],W[2]=jb,jb=W[2],W[2]=W[3],W[3]=jb):Zj[1]==W[3]&&(jb=W[1],W[1]=W[3],W[3]=jb,jb=W[2],W[2]=W[3],W[3]=jb);la[2]==Gb[2]?nn[rc]=1:la[2]==Gb[3]?nn[rc]=-1:es(qc.n,"Error in stereoprocessing ! - t30");nn[rc]*=ad}}}Va=new xF;i=v(H,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -P[c]&&(Va.b.b+=ua);0<tb[q]&&eI(a,c,tb[c],Va,Ud);var Gh=w[c],Ib=void 0,$j=void 0,Hh=void 0,T=void 0,T=Sc,Ib=!1;0!=a.A[c]&&(Ib=!0);0!=Vd[c]&&(Ib=!0);Hh=-1;for($j=1;$j<=a.y;++$j)if(a.q[$j][0]==c){Hh=a.q[$j][1];break}-1<Hh&&(Ib=!0);a.n.Ib&&0<a.e[c]&&(Ib=!0,Hh=1);switch(a.c[c]){case 2:T=Bb;break;case 3:Gh?T="c":T=Fb;break;case 4:Gh?(T=Gf,0<a.x[c]&&(Ib=!0)):T=ic;break;case 5:Gh?T="o":T=tc;break;case 7:Gh?(T="p",0<a.x[c]&&(Ib=!0)):T=vc;break;case 8:Gh?T=rg:T=Ic;break;case 13:Gh?T=vg:T=Nc;Ib=!0;break;case 6:T= -Oc;Ib=!0;break;case 9:T=Ub;break;case 10:T=Mb;break;case 11:T=Db;break;case 12:T=ac;break;case 1:T=Yb;Ib=!0;break;case 19:T=wc;Ib=!0;break;case 20:T=xc;Ib=!0;break;case 21:T=yc;Ib=!0;break;case 22:T=zc;Ib=!0;break;case 18:Ib=!0,T=a.o[c],(D(T,xa)||D(T,cd)||D(T,wb))&&(Ib=!1)}Ib&&(T=Tc+T,1==Vd[c]?T+=vb:-1==Vd[c]&&(T+="@@"),1==a.x[c]?T+=Yb:1<a.x[c]&&(T+=Yb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=ya:T+=Ca,1<Mj(a.A[c])&&(T+=Mj(a.A[c]))),-1<Hh&&(T+=nb+Hh),T+=Vc);An(Va.b,T);for(B=1;B<=nc;++B)if(o[B]==c||n[B]==c)d= -n[B],d==c&&(d=o[B]),i[c]<i[d]&&eI(a,o[B],n[B],Va,Ud),9<B&&(Va.b.b+="%"),zn(Va,j+(new R(B)).b);Td[c]&&(Va.b.b+=va)}return Va.b.b} -function gH(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)DE(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function hH(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&gH(a,c);0==a.z[d]&&gH(a,d)} -function ZH(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=QH(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&gH(a,c)}}}function WH(a){var b;b=a.c.length;a.G=Mt([b,7]);a.z=v(H,r,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function aI(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,r,-1,a.u+1,1);o=v(YH,k,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[QH(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:XH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(YH,k,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function vG(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(oF((a.J[b]+a.J[c])/2))),a.N[d]=L(K(oF((a.M[b]+a.M[c])/2)))}function $H(a,b){var c;for(c=1;c<=a.u;++c)SG(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function QG(a,b){var c;c=(bG(),tE)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function XH(a,b){return 2==a.s[b]?!0:!1}function SG(a,b,c){var d,e,f,g;g=1;a.b=v(H,r,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function tH(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Mt([b+5,2]),yF(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function rE(a){var b;a.y=0;a.r=0;EH(a);for(b=1;b<=a.t;++b)a.D=b,tH(a);a.D=0} -function fH(a){var b,c;b=v(sG,k,-1,4,1);tG(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function oG(a,b){var c,d,e,f,g,i,h,l;c=v(sG,k,-1,4,1);tG(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;tG(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function CH(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function jH(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Tc)&&qF(c,Vc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(pb)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(nb);e=c.indexOf(Yb);g=Lj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=kw(c,d+1);try{a.n.y=yD(i,10)}catch(h){if(h=Si(h),y(h,120))a.n.y=0;else throw h;}a.D=b;tH(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Fb)?3:D(d,Bb)?2:D(d,ic)?4:D(d,tc)?5:D(d,vc)?7:D(d,Ic)?8:D(d,Ub)?9:D(d,Mb)?10:D(d,Db)?11:D(d,ac)?12:D(d,Yb)?1:D(d,Nc)?13:D(d,Oc)?6:D(d,wc)?19:D(d,xc)?20:D(d,yc)?21:D(d,zc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=pF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=pF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=pF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=pF(c,g++);for(;45==e;)--d,e=pF(c,g++)}a.A[b]=d}}} -function wE(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new SD(b);try{for(;b.k=LD(b,b.b),b.k<b.j;)d=kF(yD(OD(b),10)).b,c=e=kF(yD(OD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Si(f),y(f,120))xn(f);else throw f;}}function eI(a,b,c,d,e){b=QH(a,b,c);5!=a.i[b]&&XH(a,b)?d.b.b+=rb:3==a.s[b]?d.b.b+=ma:9==a.s[b]?(e=ub,a=a.f[b],null!=a&&(e=a),An(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Uc)} -function uH(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,es(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:es(a.n,"Stereomarking allowed only on single and double bonds!")} -function cI(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=QH(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=QH(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=QH(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=QH(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))es(a.n,"Not unique E/Z geometry !");else{i=QH(a,b,e);f=QH(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=QH(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function VH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=QH(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(XH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function dI(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function iH(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=VH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function wG(a){NH(this);this.n=a;this.y=this.u=this.t=0} -function 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QD(f);OD(g);OD(g);i=kF(yD(OD(g),10)).b; -for(e=1;e<=i;++e)c=kF(yD(OD(g),10)).b,this.A[c]=kF(yD(OD(g),10)).b}if(0==f.indexOf("M APO")){g=new QD(f);OD(g);OD(g);i=kF(yD(OD(g),10)).b;for(e=1;e<=i;++e)c=kF(yD(OD(g),10)).b,f=kF(yD(OD(g),10)).b,this.D=c,$(this,0),jH(this,this.t,wc+f),this.D=0}}ZH(this);ME(this)}} -function LE(a,b){var c,d,e,f,g;wG.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));qF(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new QD(b);d=kF(yD(OD(f),10)).b;e=kF(yD(OD(f),10)).b;for(c=1;c<=d;++c)g=OD(f),vH(this),jH(this,this.t,g),this.J[c]=(new jF(gF(OD(f)))).b,this.M[c]=-(new jF(gF(OD(f)))).b;for(c=1;c<=e;++c)if(AH(this),this.H[c]=kF(yD(OD(f),10)).b,this.I[c]=kF(yD(OD(f),10)).b,this.s[c]=kF(yD(OD(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,r,-1,9,1);l=v(H,r,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(AG(b,!1),BG(b,OG(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function UG(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,DE);jC(d,0,0,b,c);a.nb?(X(d,(wB(),BB)),c=13*(a.Y+a.S),zG(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,KB(DE)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,eG),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)yG(a,d,b,1),yG(a,d,b,2);a.c=c;LG(a.Ob,a.Lb,0,0)}} -function EG(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);DG(a,b,c+m-i,f,d-4-i-1,e,h)} -function VG(a,b){var c,d,e,f,g,i,h;IE(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=WG(b);h=new SD(b,g,!0);d=j;for(c=1;5>=c;++c)d=XG(h,g);c=lF(zD(ko(d.substr(0,3)),10)).b;f=lF(zD(ko(d.substr(3,3)),10)).b;XG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=XG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new YG(a,e)}sG(a,1,c,1);sG(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new YG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",cE(a),!1;null!=a.i&&a.Z&&xE(a.Z,a.i,!0);null!=a.j&& -a.Z&&xE(a.Z,a.j,!1);g=ZG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new $G(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];sG(a,1,g,0)}cE(a);return!0} -function aH(a,b){var c,d,e,f,g,i,h,l;IE(a);c=f=0;l=new SD(b,"|>",!0);e=-1<b.indexOf(sb);i=1;g=LD(l);a.tb=0;for(d=1;d<=g;++d)if(h=PD(l),ko(h),!D(h,kh))if(D(h,sb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new ME(a,h);if(0==a.Z.t)return OE(a,"ERROR - problems in reading/processing molecule !"),lD(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return OE(a,"ERROR - strange reaction - fixing !"),lD(),!1;if(3<i)return OE(a,"ERROR - strange reaction !"),lD(),!1;1<a.tb&&!e&&rE(a,Gf);e&&!a.Bb&&rE(a,gg);!e&&a.Bb&& -rE(a,Kf);e?(sG(a,1,f,1),sG(a,f+1,c-1,2),sG(a,c,a.tb,3)):sG(a,1,a.tb,0);cE(a);return!0}function fs(a,b){a.jb=!0;a.J=b} -function js(a,b){var c,d;if(0==b)return!1;qG(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:EE(a);d=a.$;d.b=d.c;d.c.d=null;bH(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;cH(a,$F(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more 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-break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,rG(a)),18==a.d&&(d=so((gs(),hs).ac.b.pb,ch),kH(a.Z,a.Z.D,d),rG(a)),jH(a.Z))}cE(a);return!0} -function Dr(a){var b,c,d;d=PE(a);c=j;if(a.Bb){var e,f,g;g=Nt([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)gH(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(lH(g[1][0],3)+lH(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+mH(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+mH(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new nH(a,a.fb,a.tb)),c=mH(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function oH(a,b,c,d){var e;e=c;var f=d,g,i;(g=pH(b),i=0!=(b.f&2),g||i)?(a.Bb?CC((!a.w&&(a.w=oE(a,!0)),a.w),a,e,f):CC((!a.v&&(a.v=oE(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=qH(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=pE+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",cE(a), -!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=js(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)hH(a.Z,a.Z.D),a.Z.D=0,rG(a);else{if(106==a.c)return!0;if(108==a.c)rH(a.Z,a.Z.D,0),rG(a);else if(157==a.c)rH(a.Z,a.Z.D,1),rG(a);else if(158==a.c)rH(a.Z,a.Z.D,-1),rG(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):rG(a); -else if(206<=a.c&&229>=a.c)a.O=2,sH(a.Z),rG(a);else if(230==a.c)a.O=3,rG(a);else if(233<=a.c&&262>a.c)tH(a.Z,!1),rG(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;kH(a.Z,a.Z.D,so(a.zb.f.ac.b.pb,ch));rG(a)}else if(105==a.c)uH(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=so((gs(),hs).ac.b.pb,ch),1>d.length&&(d=Sc),kH(a.Z,a.Z.D,d)),rG(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,sH(a.Z),rG(a);else if(0<a.Z.E)if(104==a.c)iH(a.Z, -a.Z.E),a.Z.E=0,rG(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])fs(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;hH(d,c);d.b[c]=0}a.Z.E=0;rG(a)}else if(201==a.c)vH(a.Z,a.Z.E),rG(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),rG(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,rG(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,rG(a); 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)wH(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)wH(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)BH(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[RH(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[RH(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(H,r,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(pF((a.J[b]+a.J[e])/2))),a.N[c]=L(K(pF((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;BH(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(K(pF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(K(pF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(BH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(K(pF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(pF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(BH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(K(pF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(pF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(hH(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&TH(a,i);-1<l&&(a.D=l)} -function UH(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)wH(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function TH(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=yH(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function RH(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function VH(a,b,c){var d,e,f,g;e=mh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(zu(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)zu(c[d])&&!nu(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)tu(c[d],e)&&(b[d]=g,c[d]=mh,++f);if(f==a.t)break}return g==a.t} -function vG(a){var b,c,d;b=v(tG,k,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{uG(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;wG(a)}} -function uG(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function rH(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=WH(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&fs(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?fs(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?fs(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?fs(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:fs(a.n,"Charge change not possible on the halogen !");break;case 18:fs(a.n, -"Use X button to change charge on the X atom !")}} -function ZG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,r,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,r,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&hH(a,c);vG(a);fs(a.n,"Smaller part(s) removed !");return 1} -function yH(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function CH(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];jH(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),jH(a));4==a.s[d]&&(a.s[d]=1)}} -function QH(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 NE(a){var b;XH(a);b=a.s.length;a.K=v(H,r,-1,b,1);a.N=v(H,r,-1,b,1);wG(a);jH(a)} -function wH(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,r,-1,c,1),zF(a.c,b,a.c.length),a.c=b,b=v(H,r,-1,c,1),zF(a.A,b,a.A.length),a.A=b,b=v(H,r,-1,c,1),zF(a.x,b,a.x.length),a.x=b,b=v(H,r,-1,c,1),zF(a.e,b,a.e.length),a.e=b,b=v(Yt,k,1,c,0),zF(a.d,b,a.d.length),a.d=b,b=v(Yt,k,1,c,0),zF(a.o,b,a.o.length),a.o=b,b=v(tG,k,-1,c,1),zF(a.J,b,a.J.length),a.J=b,b=v(tG,k,-1,c,1),zF(a.M,b,a.M.length),a.M=b,b=Nt([c,7]),zF(a.G,b,a.G.length),a.G=b,c=v(H,r,-1,c,1),zF(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function SG(a,b,c,d,e,f){var g;g=L(K(pF(a.J[b]-c/2)));f||(g-=d-c);a=L(K(pF(a.M[b]-~~(e/2))));return new xA(g-1-2,a-2,d+1+4,e+4)} -function BH(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,r,-1,b,1),zF(a.H,c,a.H.length),a.H=c,c=v(H,r,-1,b,1),zF(a.I,c,a.I.length),a.I=c,c=v(H,r,-1,b,1),zF(a.s,c,a.s.length),a.s=c,c=v(H,r,-1,b,1),zF(a.B,c,a.B.length),a.B=c,c=v(H,r,-1,b,1),zF(a.K,c,a.K.length),a.K=c,c=v(H,r,-1,b,1),zF(a.N,c,a.N.length),a.N=c,b=v(Yt,k,1,b,0),zF(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function mH(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(cG(),aa);i+="JME 2013-04-10 "+new NF+"\n \n";i+=lH(a.t,3)+lH(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=EH(0.055999999999999994*(a.J[e]-c),10,4)+EH(0.055999999999999994*(g-a.M[e]),10,4)+EH(0,10,4);h=RG(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+lH(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=lH(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:YH(a,e)&&(g=2),c=lH(a.H[e],3)+lH(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=lH(a.I[e],3)+lH(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=lH(a.I[e],3)+lH(a.H[e],3)),i+=c+lH(g,3)+lH(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+lH(e,4)+lH(a.A[e],4)+aa);return i+"M END\n"} -function FH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,B,J,P,Y,da,N,oc,Gc,jg,ub,Ud,Vd,Wd,Va,Hc;o=v(H,r,-1,a.t+10,1);n=v(H,r,-1,a.t+10,1);l=v(H,r,-1,a.t+1,1);m=v(H,r,-1,7,1);ub=v(H,r,-1,a.t+1,1);w=v(ZH,k,-1,a.t+1,2);G=v(ZH,k,-1,a.u+1,2);oc=0;if(0==a.t)return j;ZG(a,!0);jg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){jg=!1;break}if(a.n.s&&jg){$H(a);CH(a);aI(a,G);bI(a,w,G);var Gb,zd,jf,bc,Ee,Ad,Bd,db,cJ,Zd,t,wa,en,fn,ct,qf,Na,gn,hn,Kc,jn;Gb=v(H,r,-1,a.t+1,1);zd=v(H,r,-1,a.t+1,1);db=v(cI,k,-1,a.t+1,3);var dt=a.t,kn, -Ch,et,vg,Pj,Ke,rf;Pj=v(cI,k,-1,dt+2,3);Ke=v(H,r,-1,100,1);rf=5;vg=0;Ke[0]=3;Pj[1]=oh;Pj[2]=ph;et=2;if(!(3>dt))for(;rf<Ke[vg]*Ke[vg];){Ch=0;for(kn=!0;kn&&Ch<=vg&&rf>=Ke[Ch]*Ke[Ch];)0==rf%Ke[Ch]?kn=!1:++Ch;if(kn){Pj[++et]=wu(rf);if(et>=dt)break;vg<Ke.length-1&&(++vg,Ke[vg]=rf)}rf+=2}for(t=1;t<=a.t;++t){for(wa=hn=1;wa<=a.u;++wa)(a.H[wa]==t||a.I[wa]==t)&&(hn*=a.i[wa]);gn=a.c[t];18==gn&&(jn=a.o[t],Ad=jn.charCodeAt(0)-65+1,Bd=0,1<jn.length&&(Bd=jn.charCodeAt(1)-97),0>Ad&&(Ad=0),0>Bd&&(Bd=0),gn=28*Ad+Bd); -qf=0;-2>a.A[t]?qf=1:-2==a.A[t]?qf=2:-1==a.A[t]?qf=3:1==a.A[t]?qf=4:2==a.A[t]?qf=5:2<a.A[t]&&(qf=6);Kc=1;db[t]=wu(hn);Kc*=126;db[t]=ru(db[t],wu(a.x[t]*Kc));Kc*=7;db[t]=ru(db[t],wu(qf*Kc));Kc*=7;db[t]=ru(db[t],wu(gn*Kc));Kc*=783;db[t]=ru(db[t],wu(a.z[t]*Kc))}for(Ee=0;!VH(a,Gb,db);){ct=!1;for(t=1;t<=a.t;++t)Gb[t]!=zd[t]&&(zd[t]=Gb[t],ct=!0);if(ct){for(t=1;t<=a.t;++t){db[t]=nh;for(wa=1;wa<=a.z[t];++wa)db[t]=Au(db[t],Pj[Gb[a.G[t][wa]]])}Ee=0}else if(0<Ee){for(t=1;t<=a.t;++t)db[t]=nh;t=1;a:for(;t<=a.t- -1;++t)for(wa=t+1;wa<=a.t;++wa)if(Gb[t]==Gb[wa]){db[t]=oh;break a}}else{for(t=1;t<=a.t;++t){db[t]=nh;for(wa=1;wa<=a.z[t];++wa)jf=a.G[t][wa],db[t]=Au(db[t],wu(a.c[jf]*a.i[RH(a,t,jf)]))}Ee=1}VH(a,Gb,db);for(t=1;t<=a.t;++t)db[t]=wu(zd[t]*a.t+Gb[t])}for(t=1;t<=a.t;++t)zd[t]=Gb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(zd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];zd[t]=zd[Na];zd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Gb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Gb[a.H[t]],a.I[t]=Gb[a.I[t]],a.H[t]>a.I[t]&&(Zd=a.H[t],a.H[t]=a.I[t],a.I[t]=Zd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){fn=en= -a.t;bc=0;for(wa=t;wa<=a.u;++wa)a.H[wa]<en?(en=a.H[wa],fn=a.I[wa],bc=wa):a.H[wa]==en&&a.I[wa]<fn&&(fn=a.I[wa],bc=wa);Zd=a.H[t];a.H[t]=a.H[bc];a.H[bc]=Zd;Zd=a.I[t];a.I[t]=a.I[bc];a.I[bc]=Zd;Zd=a.s[t];a.s[t]=a.s[bc];a.s[bc]=Zd;Zd=a.B[t];a.B[t]=a.B[bc];a.B[bc]=Zd;cJ=a.f[t];a.f[t]=a.f[bc];a.f[bc]=cJ}NE(a);jH(a);aI(a,G);bI(a,w,G)}else{aI(a,G);a.i=v(H,r,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,r,-1,a.t+1,1);Hc=1;a.b[1]=1;for(da=0;;){N=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=ub[c]){Gc=!0;for(J=1;J<=oc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Gc=!1;break}Gc&&(++oc,o[oc]=c,n[oc]=g)}}else m[++N]=g;if(0==N){if(Hc==a.t)break;c=l[da--]}else if(1==N)ub[m[1]]=c,c=m[1],a.b[c]=++Hc;else{l[++da]=c;e=0;for(q=1;q<=N;++q)if(h=RH(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=RH(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);ub[e]=c;c=e;a.b[e]=++Hc}}ub=v(H,r,-1,a.t+1,1);b=v(H,r,-1,a.t+1,1);P=v(ZH,k,-1,a.t+1,2);Ud=v(ZH,k,-1,a.t+1,2);f=Hc=da=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(ub[c]=f);b[++Hc]=c;for(a.b[c]=0;;){N=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(B=1;B<=oc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.b[g]&&(++N,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Ud[c]=!0;c=l[da--]}else break}f=c;c=e;1<N&&(l[++da]=f,P[e]=!0)}Vd=v(H,r,-1,a.u+1,1);Wd=v(H,r,-1,a.t+1,1);if(a.n.Jb){var eJ=ub,oN=oc,ft,fJ,Dh,Le,gt,ht,Ma,Qj,it;Dh=v(H,r,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)Dh[b[Ma]]=Ma;gt=v(ZH, -k,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)ft=b[Ma],fJ=eJ[ft],Le=RH(a,ft,fJ),0!=Le&&(dI(a,Le,Dh,Vd,G),gt[Le]=!0);for(Ma=1;Ma<=a.u;++Ma)gt[Ma]||dI(a,Ma,Dh,Vd,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){ht=it=0;for(Qj=1;Qj<=a.z[Ma];++Qj){Le=RH(a,Ma,a.G[Ma][Qj]);if(5==a.i[Le])continue a;1==a.s[Le]&&0!=eI(a,Le,Ma)&&++it;2==a.s[Le]&&(ht=a.G[Ma][Qj])}if(0!=it)if(0<ht){var ia=a,hJ=Ma,sf=Dh,Yc=Wd,qc=void 0,Rj=void 0,Lc=void 0,Me=void 0,Mc=void 0,ln=void 0,mn=void 0,nn=void 0,$d=void 0,Zc=void 0,$c=void 0, -jt=void 0,Sj=void 0,ae=void 0,Tj=void 0,Ne=void 0,Uj=void 0,kt=void 0,Vj=void 0,Oe=void 0,iJ=void 0,tf=void 0,jJ=void 0,lt=void 0,Wj=void 0,uf=void 0,$c=1,Rj=hJ,qc=v(H,r,-1,ia.t+1,1);for(qc[1]=hJ;;){jt=!1;for(Zc=1;Zc<=ia.z[Rj];++Zc)if(Lc=ia.G[Rj][Zc],!(Lc==qc[1]||Lc==qc[$c-1]))if(Me=RH(ia,Rj,Lc),2==ia.s[Me]&&5!=ia.i[Me]){Rj=qc[++$c]=Lc;jt=!0;break}if(!jt)break}if(!(0==$c%2||2>ia.z[qc[$c]]||3<ia.z[qc[$c]])){uf=qc[1];Mc=qc[~~(($c+1)/2)];$d=qc[$c];tf=Oe=Ne=ae=0;lt=kt=!1;for(Zc=1;Zc<=ia.z[uf];++Zc)Lc= -ia.G[uf][Zc],Me=RH(ia,uf,Lc),1!=ia.s[Me]||5==ia.i[Me]||(0==ae?ae=Lc:Ne=Lc);0<sf[Ne]&&sf[ae]>sf[Ne]&&(ln=ae,ae=Ne,Ne=ln);Sj=ae;0==ae&&(Sj=Ne,kt=!0);for(Zc=1;Zc<=ia.z[$d];++Zc)Lc=ia.G[$d][Zc],Me=RH(ia,$d,Lc),1!=ia.s[Me]||5==ia.i[Me]||(0==Oe?Oe=Lc:tf=Lc);0<sf[tf]&&sf[Oe]>sf[tf]&&(ln=Oe,Oe=tf,tf=ln);Vj=Oe;0==Oe&&(Vj=tf,lt=!0);Tj=eI(ia,RH(ia,uf,ae),uf);Uj=eI(ia,RH(ia,uf,Ne),uf);iJ=eI(ia,RH(ia,$d,Oe),$d);jJ=eI(ia,RH(ia,$d,tf),$d);1<(0>Tj+Uj?-(Tj+Uj):Tj+Uj)||0!=iJ||0!=jJ?fs(ia.n,"Bad stereoinfo on allene !"): -(mn=ia.J[qc[$c-1]]-ia.J[$d],nn=ia.M[qc[$c-1]]-ia.M[$d],Wj=Math.sqrt(mn*mn+nn*nn),0.001>Wj&&(Wj=0.001),0<(ia.M[Vj]-ia.M[qc[$c-1]])*(mn/Wj)-(ia.J[Vj]-ia.J[qc[$c-1]])*(nn/Wj)?Yc[Mc]=1:Yc[Mc]=-1,kt&&(Yc[Mc]*=-1),lt&&(Yc[Mc]*=-1),Sj==ae&&0>Tj&&(Yc[Mc]*=-1),Sj==Ne&&0>Uj&&(Yc[Mc]*=-1),sf[Sj]>sf[Vj]&&(Yc[Mc]*=-1))}}else b:{var rc=a,sc=Ma,pN=eJ,qN=Dh,rN=o,sN=n,tN=oN,on=Wd,pn=void 0,ad=void 0,mt=void 0,Eh=void 0,za=void 0,Fh=void 0,Dd=void 0,Xj=void 0,be=void 0,Pb=void 0,ea=void 0,Ib=void 0,Pe=void 0,qn=void 0, -bd=void 0,la=void 0,rn=void 0,Ib=v(H,r,-1,4,1),qn=v(H,r,-1,4,1),Gh=rc,ce=sc,kJ=qN,nt=pN,lJ=rN,mJ=sN,uN=tN,Jb=Ib,Yj=void 0,cd=void 0,sn=void 0,tn=void 0,ot=void 0,Zj=void 0,Zj=-1;0<nt[ce]&&(Jb[++Zj]=nt[ce]);for(cd=1;cd<=uN;++cd)lJ[cd]==ce&&(Jb[++Zj]=mJ[cd]),mJ[cd]==ce&&(Jb[++Zj]=lJ[cd]);for(cd=Zj+1;cd<Gh.z[ce];++cd){ot=Gh.t+1;sn=1;c:for(;sn<=Gh.z[ce];++sn){Yj=Gh.G[ce][sn];for(tn=0;tn<cd;++tn)if(Yj==Jb[tn])continue c;kJ[Yj]<ot&&(ot=kJ[Yj],Jb[cd]=Yj)}}0==nt[ce]&&0<Gh.x[ce]?(Jb[3]=Jb[2],Jb[2]=Jb[1],Jb[1]= -Jb[0],Jb[0]=-1):0<Gh.x[ce]&&(Jb[3]=Jb[2],Jb[2]=Jb[1],Jb[1]=-1);for(za=Xj=Fh=Eh=rn=Dd=Pb=0;4>za;++za)0>=Ib[za]||(pn=RH(rc,sc,Ib[za]),qn[za]=eI(rc,pn,sc),0<qn[za]?(++Pb,rn=Ib[za],Fh=Ib[za]):0>qn[za]?(++Dd,Eh=Ib[za],Fh=Ib[za]):Xj=Ib[za]);be=Pb+Dd;la=v(H,r,-1,4,1);bd=0;if(3==rc.z[sc]){if(1==Pb&&1==Dd||3==be&&0<Pb&&0<Dd){fs(rc.n,"Error in C3H stereospecification !");break b}Pe=Ib[0];1==be?Pe=Fh:2==be&&(Pe=Xj);ea=PH(rc,sc,Pe,Ib);la[0]=Fh;la[1]=-1;la[2]=ea[2];la[3]=ea[1];0<Pb?bd=1:bd=-1}else if(4==rc.z[sc])if(1== -be)ea=PH(rc,sc,Fh,Ib),la[0]=ea[0],la[1]=ea[3],la[2]=ea[2],la[3]=ea[1],0<Pb?bd=1:bd=-1;else{Pe=Ib[0];1<Xj&&(Pe=Xj);1==Pb?Pe=rn:1==Dd&&(Pe=Eh);ea=PH(rc,sc,Pe,Ib);ad=v(H,r,-1,4,1);for(za=0;4>za;++za)pn=RH(rc,sc,ea[za]),ad[za]=eI(rc,pn,sc);if(4==be){if(0==Pb||0==Dd){fs(rc.n,"Error in C4 stereospecification !");break b}if(1==Pb||1==Dd)la[0]=ea[0],la[1]=ea[3],la[2]=ea[2],la[3]=ea[1],bd=ad[0];else{for(za=0;4>za;++za)-1==ad[za]&&(ad[za]=0);be=2}}else if(3==be)if(3==Pb||3==Dd)la[0]=ea[0],la[1]=ea[3],la[2]= -ea[2],la[3]=ea[1],0<Pb?bd=-1:bd=1;else{1==Pb?Pb=mt=1:Dd=mt=-1;for(za=0;4>za;++za)ad[za]==mt&&(ad[za]=0);be=2}if(2==be)if(1==Pb&&1==Dd)ea[1]==Eh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==Eh&&(ea[2]=ea[3]),la[0]=rn,la[1]=Eh,la[2]=ea[2],la[3]=ea[1],bd=1;else{if(ad[0]==ad[1]||ad[1]==ad[2]){fs(rc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=ad[0]?(la[0]=ea[0],la[1]=ea[2],la[2]=ea[1],la[3]=ea[3]):(la[0]=ea[1],la[1]=ea[3],la[2]=ea[2],la[3]=ea[0]);1<Pb?bd=1:bd=-1}}var W=la,$j=Ib,jb=void 0;$j[0]==W[1]?(jb= -W[0],W[0]=W[1],W[1]=jb,jb=W[2],W[2]=W[3],W[3]=jb):$j[0]==W[2]?(jb=W[2],W[2]=W[0],W[0]=jb,jb=W[1],W[1]=W[3],W[3]=jb):$j[0]==W[3]&&(jb=W[3],W[3]=W[0],W[0]=jb,jb=W[1],W[1]=W[2],W[2]=jb);$j[1]==W[2]?(jb=W[1],W[1]=W[2],W[2]=jb,jb=W[2],W[2]=W[3],W[3]=jb):$j[1]==W[3]&&(jb=W[1],W[1]=W[3],W[3]=jb,jb=W[2],W[2]=W[3],W[3]=jb);la[2]==Ib[2]?on[sc]=1:la[2]==Ib[3]?on[sc]=-1:fs(rc.n,"Error in stereoprocessing ! - t30");on[sc]*=bd}}}Va=new yF;i=v(H,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -P[c]&&(Va.b.b+=ua);0<ub[q]&&fI(a,c,ub[c],Va,Vd);var Hh=w[c],Kb=void 0,ak=void 0,Ih=void 0,T=void 0,T=Sc,Kb=!1;0!=a.A[c]&&(Kb=!0);0!=Wd[c]&&(Kb=!0);Ih=-1;for(ak=1;ak<=a.y;++ak)if(a.q[ak][0]==c){Ih=a.q[ak][1];break}-1<Ih&&(Kb=!0);a.n.Ib&&0<a.e[c]&&(Kb=!0,Ih=1);switch(a.c[c]){case 2:T=Bb;break;case 3:Hh?T="c":T=Eb;break;case 4:Hh?(T=Hf,0<a.x[c]&&(Kb=!0)):T=ic;break;case 5:Hh?T="o":T=tc;break;case 7:Hh?(T="p",0<a.x[c]&&(Kb=!0)):T=vc;break;case 8:Hh?T=sg:T=Ic;break;case 13:Hh?T=wg:T=Nc;Kb=!0;break;case 6:T= -Oc;Kb=!0;break;case 9:T=Ub;break;case 10:T=Mb;break;case 11:T=Db;break;case 12:T=ac;break;case 1:T=Yb;Kb=!0;break;case 19:T=wc;Kb=!0;break;case 20:T=xc;Kb=!0;break;case 21:T=yc;Kb=!0;break;case 22:T=zc;Kb=!0;break;case 18:Kb=!0,T=a.o[c],(D(T,xa)||D(T,Xc)||D(T,wb))&&(Kb=!1)}Kb&&(T=Tc+T,1==Wd[c]?T+=vb:-1==Wd[c]&&(T+="@@"),1==a.x[c]?T+=Yb:1<a.x[c]&&(T+=Yb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=ya:T+=Ca,1<Nj(a.A[c])&&(T+=Nj(a.A[c]))),-1<Ih&&(T+=nb+Ih),T+=Vc);Bn(Va.b,T);for(B=1;B<=oc;++B)if(o[B]==c||n[B]==c)d= -n[B],d==c&&(d=o[B]),i[c]<i[d]&&fI(a,o[B],n[B],Va,Vd),9<B&&(Va.b.b+="%"),An(Va,j+(new R(B)).b);Ud[c]&&(Va.b.b+=va)}return Va.b.b} -function hH(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)EE(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function iH(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&hH(a,c);0==a.z[d]&&hH(a,d)} -function $H(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=RH(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&hH(a,c)}}}function XH(a){var b;b=a.c.length;a.G=Nt([b,7]);a.z=v(H,r,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function bI(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,r,-1,a.u+1,1);o=v(ZH,k,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[RH(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:YH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(ZH,k,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function wG(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(pF((a.J[b]+a.J[c])/2))),a.N[d]=L(K(pF((a.M[b]+a.M[c])/2)))}function aI(a,b){var c;for(c=1;c<=a.u;++c)TG(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function RG(a,b){var c;c=(cG(),uE)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function YH(a,b){return 2==a.s[b]?!0:!1}function TG(a,b,c){var d,e,f,g;g=1;a.b=v(H,r,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function uH(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Nt([b+5,2]),zF(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function sE(a){var b;a.y=0;a.r=0;FH(a);for(b=1;b<=a.t;++b)a.D=b,uH(a);a.D=0} -function gH(a){var b,c;b=v(tG,k,-1,4,1);uG(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function pG(a,b){var c,d,e,f,g,i,h,l;c=v(tG,k,-1,4,1);uG(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;uG(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function DH(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function kH(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Tc)&&rF(c,Vc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(pb)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(nb);e=c.indexOf(Yb);g=Mj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=lw(c,d+1);try{a.n.y=zD(i,10)}catch(h){if(h=Ti(h),y(h,120))a.n.y=0;else throw h;}a.D=b;uH(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Eb)?3:D(d,Bb)?2:D(d,ic)?4:D(d,tc)?5:D(d,vc)?7:D(d,Ic)?8:D(d,Ub)?9:D(d,Mb)?10:D(d,Db)?11:D(d,ac)?12:D(d,Yb)?1:D(d,Nc)?13:D(d,Oc)?6:D(d,wc)?19:D(d,xc)?20:D(d,yc)?21:D(d,zc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=qF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=qF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=qF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=qF(c,g++);for(;45==e;)--d,e=qF(c,g++)}a.A[b]=d}}} -function xE(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new TD(b);try{for(;b.k=MD(b,b.b),b.k<b.j;)d=lF(zD(PD(b),10)).b,c=e=lF(zD(PD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Ti(f),y(f,120))yn(f);else throw f;}}function fI(a,b,c,d,e){b=RH(a,b,c);5!=a.i[b]&&YH(a,b)?d.b.b+=rb:3==a.s[b]?d.b.b+=ma:9==a.s[b]?(e=tb,a=a.f[b],null!=a&&(e=a),Bn(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Uc)} -function vH(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,fs(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:fs(a.n,"Stereomarking allowed only on single and double bonds!")} -function dI(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=RH(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=RH(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=RH(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=RH(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))fs(a.n,"Not unique E/Z geometry !");else{i=RH(a,b,e);f=RH(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=RH(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function WH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=RH(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(YH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function eI(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function jH(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=WH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function xG(a){OH(this);this.n=a;this.y=this.u=this.t=0} -function 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RD(f);PD(g);PD(g);i=lF(zD(PD(g),10)).b; -for(e=1;e<=i;++e)c=lF(zD(PD(g),10)).b,this.A[c]=lF(zD(PD(g),10)).b}if(0==f.indexOf("M APO")){g=new RD(f);PD(g);PD(g);i=lF(zD(PD(g),10)).b;for(e=1;e<=i;++e)c=lF(zD(PD(g),10)).b,f=lF(zD(PD(g),10)).b,this.D=c,$(this,0),kH(this,this.t,wc+f),this.D=0}}$H(this);NE(this)}} -function ME(a,b){var c,d,e,f,g;xG.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));rF(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new RD(b);d=lF(zD(PD(f),10)).b;e=lF(zD(PD(f),10)).b;for(c=1;c<=d;++c)g=PD(f),wH(this),kH(this,this.t,g),this.J[c]=(new kF(hF(PD(f)))).b,this.M[c]=-(new kF(hF(PD(f)))).b;for(c=1;c<=e;++c)if(BH(this),this.H[c]=lF(zD(PD(f),10)).b,this.I[c]=lF(zD(PD(f),10)).b,this.s[c]=lF(zD(PD(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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113:X(b,Wz);c=a.Y-8;e=g+~~((a.Y-c)/2);d=f+~~((a.Y-c)/2);xA(b,e,d,c,c);X(b,Qz);GE(a, -b,g,f,Lz,"i");break;case 201:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)+2);Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)-2);Y(b,g+a.Y-c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)-2);break;case 202:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));break;case 203:Y(b,g+c,f+~~(a.Y/2)-2,g+a.Y-c,f+~~(a.Y/2)-2);Y(b,g+c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)+2);break;case 204:Y(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Y(b,g+c,f+~~(a.Y/2)-3,g+a.Y-c,f+~~(a.Y/2)-3);Y(b,g+c,f+~~(a.Y/2)+3,g+a.Y-c,f+~~(a.Y/2)+3);break;case 205:Y(b,g+~~(c/2),f+ -2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Y(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Y(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:HE(a,b,g,f+2,3);break;case 207:HE(a,b,g,f,4);break;case 208:HE(a,b,g,f,5);break;case 209:HE(a,b,g,f,1);break;case 210:HE(a,b,g,f,6);break;case 211:HE(a,b,g,f,7);break;case 212:HE(a,b,g,f,8);break;case 213:FE(a,b,g,f,"FG"),a.F=new MA(g,f)}else c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e? -c=12:1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=wC[c]&&GE(a,b,g,f,vC[c],wC[c])}function IE(a){var b,c,d;a.jb&&(null==a.J&&(a.J=j),d=a.I.b,c=a.C.c-a.Y,b=a.Y,X(d,DC),xA(d,0,0,c,b),a.nb?(X(d,(Kz(),Pz)),zE(d,-1,0,c,b-1)):(X(d,eE),Y(d,0,0,c-1-2,0),X(d,Yz(DC)),Y(d,0,b-1,c-1,b-1),Y(d,c-1,0,c-1,b-1)),JE(d,a.X),X(d,(Kz(),Qz)),-1!=a.J.toLowerCase().indexOf(ee)&&X(d,Rz),KE(d,a.J,10,15),LE(a.Ob,a.I,a.Y,a.C.b-a.Y))} -function ME(a){var b,c,d,e;if(a.kb){d=a.Q.b;c=a.Y;b=a.C.b-2*a.Y-a.S;X(d,DC);xA(d,0,0,c,b);a.nb?(X(d,(Kz(),Pz)),Y(d,0,b-1,c,b-1),e=qC*(a.Y+a.S)+2,Y(d,0,e,c,e),Y(d,0,e,0,b),Y(d,a.Y-1,e,a.Y-1,b-a.Y)):(X(d,eE),Y(d,0,0,0,b-1),Y(d,0,qC*a.Y,b-1,qC*a.Y),X(d,Yz(DC)),Y(d,c-1,0,c-1,b-1-a.Y),Y(d,0,b-1,c-1,b-1));for(b=3;b<=qC+2;++b)yE(a,d,1,b);LE(a.Ob,a.Q,0,2*a.Y+a.S)}} -function NE(a){var b,c,d,e;if(a.lb){e=a.cb.b;c=a.C.c-a.Y;b=a.C.b-3*a.Y-a.S;X(e,a.t);xA(e,0,0,c,b);d=a.db?(UA(),XA):(UA(),ZA);if((UA(),VA)==(UA(),VA))d==XA?e.b=j:e.b=og;d=new iz(a.eb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ga);for(d=1;d<=a.tb;++d){var f=a.fb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,G=w=o=m=void 0,A=n=void 0,J=m=q=o=i=void 0,N=m=i=void 0,W=h=o=h=void 0,$=w=A=void 0,M=$=q=n=l=A=m=q=G=J=n=void 0,M=h=n=o=o=J=M=W=i=N=N=G=W=n=n=N=W=void 0,w=A=1,l=2, -$=3;f.w&&(vE(f),sE(f.n,1,f.n.tb,0),f.w=!1);1!=f.n.B&&(l*=f.n.B,$*=f.n.B,i=1,0.7>f.n.B&&(i=1.2),i=H(13*f.n.B*i),f.n.k=new kA(Tb,0,i),f.n.n=new aB((sp(),f.n.k)));f.n.A&&(X(g,(Kz(),Qz)),zE(g,0,0,f.n.C.c-1,f.n.C.b-1));if(0!=f.t){if(-1==f.k){m=K(I(Math.round(12*l)));for(i=1;i<=f.t;++i)0<f.e[i]&&7>f.e[i]&&(X(g,(cE(),gE)[f.e[i]]),h=g,o=H(f.J[i]-m/2),N=H(f.M[i]-m/2),W=M=m,AE(h,!0),BE(h,CE(h,o,N,M,W)));for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],0!=f.e[h]&&f.e[h]==f.e[m]&&(X(g,(cE(),gE)[f.e[h]]),n=f.J[m]-f.J[h], 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3:m=K(I(Math.round(W)));h=K(I(Math.round(M)));N=K(I(Math.round(N)));o=K(I(Math.round(o)));Y(g,m,h,N,o);W=K(I(Math.round($*A)));M=K(I(Math.round($*w)));Y(g,m+W,h-M,N+W,o-M);Y(g,m-W,h+M,N-W,o+M);break; -case 9:case 0:for(h=0;10>h;++h)G=W-(W-N)/10*h,J=M-(M-o)/10*h,Y(g,K(I(Math.round(G))),K(I(Math.round(J))),K(I(Math.round(G))),K(I(Math.round(J))));JE(g,f.n.k);m=PE(f.n.n);n=f.f[i];h=rb;null!=n&&(h=n);n=bB(f.n.n,h);W=K(I(Math.round((W+N)/2-n/2)));n=K(I(Math.round((M+o)/2+~~(m/2)-1)));X(g,Uz);KE(g,h,W,n);X(g,Qz);break;default:if(1==f.B[i]||3==f.B[i])q=$*A,n=$*w,J=v(F,k,-1,3,1),G=v(F,k,-1,3,1),J[0]=K(I(Math.round(N+q))),G[0]=K(I(Math.round(o-n))),J[1]=K(I(Math.round(W))),G[1]=K(I(Math.round(M))),J[2]= -K(I(Math.round(N-q))),G[2]=K(I(Math.round(o+n))),m=g,h=J,o=G,AE(m,!0),BE(m,OE(m,h,o,3,!0));else if(2==f.B[i]||4==f.B[i]){q=$*A;n=$*w;for(h=0;10>h;++h)G=W-(W-N)/10*h,J=M-(M-o)/10*h,m=h/10,Y(g,K(I(Math.round(G+q*m))),K(I(Math.round(J-n*m))),K(I(Math.round(G-q*m))),K(I(Math.round(J+n*m))))}else Y(g,K(I(Math.round(W))),K(I(Math.round(M))),K(I(Math.round(N))),K(I(Math.round(o))))}}w=v(tE,r,-1,f.t+1,1);A=v(F,k,-1,f.t+1,1);for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],l=f.J[h],o=f.J[m],++A[h],++A[m],w[h]=w[h]/A[h]+ -o/A[h],w[m]=w[m]/A[m]+l/A[m];JE(g,f.n.k);m=PE(f.n.n);M=v(is,r,1,f.t+1,0);N=v(F,k,-1,f.t+1,1);o=v(F,k,-1,f.t+1,1);l=v(QE,r,97,f.t+1,0);for(i=1;i<=f.t;++i)h=RE(f,i),(null==h||1>h.length)&&(h=wa),3==f.c[i]&&0<f.z[i]&&0==f.A[i]?(M[i]=h,N[i]=o[i]=bB(f.n.n,h),l[i]=SE(f,i,N[i],N[i],m,!1)):(W=w[i]<f.J[i],G=!0,1<A[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/3&&(G=!1),2<A[i]&&(G=!1),1==A[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/10&&(W=!0),n=h,J=j,f.n.Fb&&0<f.x[i]&&(J+=Sb,1<f.x[i]&& 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-J,A=G,$.o&&(AE($,!1),BE($,OE($,i,A,5,!0)))),106==f.n.c&&TE(f,f.H[f.E],f.I[f.E]))){$=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++$;if($>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;X(g,(Kz(),Rz));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],zE(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(X(e,(Kz(),Pz)),Y(e,c-1,0,c-1,b-1)):(X(e,Yz(DC)),Y(e,c-1,0,c-1,b-1),X(e,DC),Y(e,c-2,0,c-2,b-1),X(e,eE),Y(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),X(e,(Kz(),Uz)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),Y(e,d+48, -~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new kA(Tb,0,13),a.W=new aB(a.T),null!=a.bb&&(d=bB(a.W,a.bb),c=K(I(Math.round((c-d)/2))),b-=13,X(e,(Kz(),Qz)),JE(e,a.T),KE(e,a.bb,c,b)));LE(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function HE(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(F,k,-1,9,1);l=v(F,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=H(c+a*Math.sin(i)),l[f]=H(d+a*Math.cos(i));f=e+1;b.o&&(AE(b,!1),BE(b,OE(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=H(c+(a-3)*Math.sin(i)),l[f]=H(d+(a-3)*Math.cos(i));Y(b,h[0],l[0],h[1],l[1]);Y(b,h[2],l[2],h[3],l[3]);Y(b,h[4],l[4],h[5],l[5])}} -function UE(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,DC);xA(d,0,0,b,c);a.nb?(X(d,(Kz(),Pz)),c=13*(a.Y+a.S),zE(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,Yz(DC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,eE),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)yE(a,d,b,1),yE(a,d,b,2);a.c=c;LE(a.Ob,a.Lb,0,0)}} -function EE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Y(a,i,n,f,h);Y(a,g,n,f,h);i=~~(l/3);Y(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);DE(a,b,c+m-i,f,d-4-i-1,e,h)} -function VE(a,b){var c,d,e,f,g,i,h;IC(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=WE(b);h=new eC(b,g,!0);d=j;for(c=1;5>=c;++c)d=XE(h,g);c=mD(MB(Qn(d.substr(0,3)),10)).b;f=mD(MB(Qn(d.substr(3,3)),10)).b;XE(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=XE(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new YE(a,e)}sE(a,1,c,1);sE(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new YE(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",tC(a),!1;null!=a.i&&a.Z&&zC(a.Z,a.i,!0);null!=a.j&& -a.Z&&zC(a.Z,a.j,!1);g=ZE(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new $E(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];sE(a,1,g,0)}tC(a);return!0} -function aF(a,b){var c,d,e,f,g,i,h,l;IC(a);c=f=0;l=new eC(b,"|>",!0);e=-1<b.indexOf(pb);i=1;g=YB(l);a.tb=0;for(d=1;d<=g;++d)if(h=bC(l),Qn(h),!D(h,Yg))if(D(h,pb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new MC(a,h);if(0==a.Z.t)return OC(a,"ERROR - problems in reading/processing molecule !"),yB(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return OC(a,"ERROR - strange reaction - fixing !"),yB(),!1;if(3<i)return OC(a,"ERROR - strange reaction !"),yB(),!1;1<a.tb&&!e&&sC(a,vf);e&&!a.Bb&&sC(a,Xf);!e&&a.Bb&& -sC(a,zf);e?(sE(a,1,f,1),sE(a,f+1,c-1,2),sE(a,c,a.tb,3)):sE(a,1,a.tb,0);tC(a);return!0}function Dq(a,b){a.jb=!0;a.J=b} -function Hq(a,b){var c,d;if(0==b)return!1;qE(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:EC(a);d=a.$;d.b=d.c;d.c.d=null;bF(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;cF(a,$D(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new Nu("Cannot redo. 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104:0<a.Z.D?(a.lb=!0,hF(a.Z,a.Z.D),a.Z.D=0,rE(a)):0<a.Z.E&&(a.lb=!0,iF(a.Z,a.Z.E), -a.Z.E=0,rE(a));jF(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new RA;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new JA(c),PA(i,g),g.d=c,dz(g.e,a);by(a,i);a.E=i}QA(a.E,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(UD(a.o),a.o=null);0==a.Z.D&&(a.o=new dF(2,a));a.d=18; -break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,rE(a)),18==a.d&&(d=Un((Eq(),Fq).ac.b.pb,Qg),kF(a.Z,a.Z.D,d),rE(a)),jF(a.Z))}tC(a);return!0} -function zq(a){var b,c,d;d=PC(a);c=j;if(a.Bb){var e,f,g;g=Yr([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)gF(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(lF(g[1][0],3)+lF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+mF(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+mF(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new nF(a,a.fb,a.tb)),c=mF(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function oF(a,b,c,d){var e;e=c;var f=d,g,i;(g=pF(b),i=0!=(b.f&2),g||i)?(a.Bb?QA((!a.w&&(a.w=pC(a,!0)),a.w),a,e,f):QA((!a.v&&(a.v=pC(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=qF(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=qC+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",tC(a), -!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Hq(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)hF(a.Z,a.Z.D),a.Z.D=0,rE(a);else{if(106==a.c)return!0;if(108==a.c)rF(a.Z,a.Z.D,0),rE(a);else if(157==a.c)rF(a.Z,a.Z.D,1),rE(a);else if(158==a.c)rF(a.Z,a.Z.D,-1),rE(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,Z(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):rE(a); -else if(206<=a.c&&229>=a.c)a.O=2,sF(a.Z),rE(a);else if(230==a.c)a.O=3,rE(a);else if(233<=a.c&&262>a.c)tF(a.Z,!1),rE(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;kF(a.Z,a.Z.D,Un(a.zb.f.ac.b.pb,Qg));rE(a)}else if(105==a.c)uF(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=Un((Eq(),Fq).ac.b.pb,Qg),1>d.length&&(d=Nc),kF(a.Z,a.Z.D,d)),rE(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,sF(a.Z),rE(a);else if(0<a.Z.E)if(104==a.c)iF(a.Z, -a.Z.E),a.Z.E=0,rE(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Dq(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;hF(d,c);d.b[c]=0}a.Z.E=0;rE(a)}else if(201==a.c)vF(a.Z,a.Z.E),rE(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),rE(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,rE(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,rE(a); -else if(206<=a.c&&229>=a.c)a.O=2,sF(a.Z),rE(a);else if(107==a.c){if(!a.zb.c)return!0;d=Un(a.zb.f.ac.b.pb,Qg);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;rE(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new 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e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+ -c*g/h,d[1]=a.M[b]+c*i/h)} -function sF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])UF(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,Z(a,0),a.D=a.t,UF(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Dq(a.n,"ERROR - cannot add aromatic spiro ring 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-a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)wF(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)BF(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[RF(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[RF(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(F,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=K(I(qD((a.J[b]+a.J[e])/2))),a.N[c]=K(I(qD((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;BF(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=K(I(qD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=K(I(qD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(BF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=K(I(qD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=K(I(qD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(BF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=K(I(qD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=K(I(qD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(hF(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&TF(a,i);-1<l&&(a.D=l)} -function UF(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)wF(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function TF(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=yF(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function RF(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function VF(a,b,c){var d,e,f,g;e=$g;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Xs(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Xs(c[d])&&!ys(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)Rs(c[d],e)&&(b[d]=g,c[d]=$g,++f);if(f==a.t)break}return g==a.t} -function vE(a){var b,c,d;b=v(tE,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{uE(a,b);c=~~(c/2)-K(I(Math.round(b[0])));d=~~(d/2)-K(I(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;wE(a)}} -function uE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function rF(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=WF(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&Dq(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Dq(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Dq(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Dq(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Dq(a.n,"Charge change not possible on the halogen !");break;case 18:Dq(a.n, -"Use X button to change charge on the X atom !")}} -function ZE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(F,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(F,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&hF(a,c);vE(a);Dq(a.n,"Smaller part(s) removed !");return 1} -function yF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function CF(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];jF(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),jF(a));4==a.s[d]&&(a.s[d]=1)}} -function QF(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 NC(a){var b;XF(a);b=a.s.length;a.K=v(F,k,-1,b,1);a.N=v(F,k,-1,b,1);wE(a);jF(a)} -function wF(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(F,k,-1,c,1),zD(a.c,b,a.c.length),a.c=b,b=v(F,k,-1,c,1),zD(a.A,b,a.A.length),a.A=b,b=v(F,k,-1,c,1),zD(a.x,b,a.x.length),a.x=b,b=v(F,k,-1,c,1),zD(a.e,b,a.e.length),a.e=b,b=v(is,r,1,c,0),zD(a.d,b,a.d.length),a.d=b,b=v(is,r,1,c,0),zD(a.o,b,a.o.length),a.o=b,b=v(tE,r,-1,c,1),zD(a.J,b,a.J.length),a.J=b,b=v(tE,r,-1,c,1),zD(a.M,b,a.M.length),a.M=b,b=Yr([c,7]),zD(a.G,b,a.G.length),a.G=b,c=v(F,k,-1,c,1),zD(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function SE(a,b,c,d,e,f){var g;g=K(I(qD(a.J[b]-c/2)));f||(g-=d-c);a=K(I(qD(a.M[b]-~~(e/2))));return new Ly(g-1-2,a-2,d+1+4,e+4)} -function BF(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(F,k,-1,b,1),zD(a.H,c,a.H.length),a.H=c,c=v(F,k,-1,b,1),zD(a.I,c,a.I.length),a.I=c,c=v(F,k,-1,b,1),zD(a.s,c,a.s.length),a.s=c,c=v(F,k,-1,b,1),zD(a.B,c,a.B.length),a.B=c,c=v(F,k,-1,b,1),zD(a.K,c,a.K.length),a.K=c,c=v(F,k,-1,b,1),zD(a.N,c,a.N.length),a.N=c,b=v(is,r,1,b,0),zD(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function mF(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(cE(),aa);i+="JME 2013-04-10 "+new ND+"\n \n";i+=lF(a.t,3)+lF(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=EF(0.055999999999999994*(a.J[e]-c),10,4)+EF(0.055999999999999994*(g-a.M[e]),10,4)+EF(0,10,4);h=RE(a,e);1==h.length?h+=" ":2==h.length?h+=ca:3<h.length&&(h="Q "); -i+=ca+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+lF(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=lF(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:YF(a,e)&&(g=2),c=lF(a.H[e],3)+lF(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=lF(a.I[e],3)+lF(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=lF(a.I[e],3)+lF(a.H[e],3)),i+=c+lF(g,3)+lF(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+lF(e,4)+lF(a.A[e],4)+aa);return i+"M END\n"} -function FF(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,N,W,$,M,lc,Cc,Sf,qb,Jd,Kd,Ld,Va,Dc;o=v(F,k,-1,a.t+10,1);n=v(F,k,-1,a.t+10,1);l=v(F,k,-1,a.t+1,1);m=v(F,k,-1,7,1);qb=v(F,k,-1,a.t+1,1);w=v(ZF,r,-1,a.t+1,2);G=v(ZF,r,-1,a.u+1,2);lc=0;if(0==a.t)return j;ZE(a,!0);Sf=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){Sf=!1;break}if(a.n.s&&Sf){$F(a);CF(a);aG(a,G);bG(a,w,G);var Bb,od,$e,$b,ue,pd,qd,cb,fH,Od,t,va,um,vm,Cs,gf,Ma,wm,xm,Gc,ym;Bb=v(F,k,-1,a.t+1,1);od=v(F,k,-1,a.t+1,1);cb=v(cG,r,-1,a.t+1,3);var Ds=a.t,zm, -lh,Es,dg,tj,Ae,hf;tj=v(cG,r,-1,Ds+2,3);Ae=v(F,k,-1,100,1);hf=5;dg=0;Ae[0]=3;tj[1]=bh;tj[2]=ch;Es=2;if(!(3>Ds))for(;hf<Ae[dg]*Ae[dg];){lh=0;for(zm=!0;zm&&lh<=dg&&hf>=Ae[lh]*Ae[lh];)0==hf%Ae[lh]?zm=!1:++lh;if(zm){tj[++Es]=Us(hf);if(Es>=Ds)break;dg<Ae.length-1&&(++dg,Ae[dg]=hf)}hf+=2}for(t=1;t<=a.t;++t){for(va=xm=1;va<=a.u;++va)(a.H[va]==t||a.I[va]==t)&&(xm*=a.i[va]);wm=a.c[t];18==wm&&(ym=a.o[t],pd=ym.charCodeAt(0)-65+1,qd=0,1<ym.length&&(qd=ym.charCodeAt(1)-97),0>pd&&(pd=0),0>qd&&(qd=0),wm=28*pd+qd); -gf=0;-2>a.A[t]?gf=1:-2==a.A[t]?gf=2:-1==a.A[t]?gf=3:1==a.A[t]?gf=4:2==a.A[t]?gf=5:2<a.A[t]&&(gf=6);Gc=1;cb[t]=Us(xm);Gc*=126;cb[t]=Ps(cb[t],Us(a.x[t]*Gc));Gc*=7;cb[t]=Ps(cb[t],Us(gf*Gc));Gc*=7;cb[t]=Ps(cb[t],Us(wm*Gc));Gc*=783;cb[t]=Ps(cb[t],Us(a.z[t]*Gc))}for(ue=0;!VF(a,Bb,cb);){Cs=!1;for(t=1;t<=a.t;++t)Bb[t]!=od[t]&&(od[t]=Bb[t],Cs=!0);if(Cs){for(t=1;t<=a.t;++t){cb[t]=ah;for(va=1;va<=a.z[t];++va)cb[t]=Ys(cb[t],tj[Bb[a.G[t][va]]])}ue=0}else if(0<ue){for(t=1;t<=a.t;++t)cb[t]=ah;t=1;a:for(;t<=a.t- -1;++t)for(va=t+1;va<=a.t;++va)if(Bb[t]==Bb[va]){cb[t]=bh;break a}}else{for(t=1;t<=a.t;++t){cb[t]=ah;for(va=1;va<=a.z[t];++va)$e=a.G[t][va],cb[t]=Ys(cb[t],Us(a.c[$e]*a.i[RF(a,t,$e)]))}ue=1}VF(a,Bb,cb);for(t=1;t<=a.t;++t)cb[t]=Us(od[t]*a.t+Bb[t])}for(t=1;t<=a.t;++t)od[t]=Bb[t];for(Ma=1;Ma<=a.t;++Ma)for(t=1;t<=a.t;++t)if(od[t]==Ma){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Ma];a.A[t]=a.A[Ma];a.J[t]=a.J[Ma];a.M[t]=a.M[Ma];a.z[t]=a.z[Ma];a.c[Ma]=a.c[0];a.A[Ma]=a.A[0]; -a.J[Ma]=a.J[0];a.M[Ma]=a.M[0];a.z[Ma]=a.z[0];od[t]=od[Ma];od[Ma]=Ma;a.o[0]=a.o[t];a.o[t]=a.o[Ma];a.o[Ma]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Ma];a.e[Ma]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Ma];a.x[Ma]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Bb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Bb[a.H[t]],a.I[t]=Bb[a.I[t]],a.H[t]>a.I[t]&&(Od=a.H[t],a.H[t]=a.I[t],a.I[t]=Od,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){vm=um= -a.t;$b=0;for(va=t;va<=a.u;++va)a.H[va]<um?(um=a.H[va],vm=a.I[va],$b=va):a.H[va]==um&&a.I[va]<vm&&(vm=a.I[va],$b=va);Od=a.H[t];a.H[t]=a.H[$b];a.H[$b]=Od;Od=a.I[t];a.I[t]=a.I[$b];a.I[$b]=Od;Od=a.s[t];a.s[t]=a.s[$b];a.s[$b]=Od;Od=a.B[t];a.B[t]=a.B[$b];a.B[$b]=Od;fH=a.f[t];a.f[t]=a.f[$b];a.f[$b]=fH}NC(a);jF(a);aG(a,G);bG(a,w,G)}else{aG(a,G);a.i=v(F,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(F,k,-1,a.t+1,1);Dc=1;a.b[1]=1;for($=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=qb[c]){Cc=!0;for(J=1;J<=lc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Cc=!1;break}Cc&&(++lc,o[lc]=c,n[lc]=g)}}else m[++M]=g;if(0==M){if(Dc==a.t)break;c=l[$--]}else if(1==M)qb[m[1]]=c,c=m[1],a.b[c]=++Dc;else{l[++$]=c;e=0;for(q=1;q<=M;++q)if(h=RF(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=RF(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);qb[e]=c;c=e;a.b[e]=++Dc}}qb=v(F,k,-1,a.t+1,1);b=v(F,k,-1,a.t+1,1);N=v(ZF,r,-1,a.t+1,2);Jd=v(ZF,r,-1,a.t+1,2);f=Dc=$=0;for(q= -1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(qb[c]=f);b[++Dc]=c;for(a.b[c]=0;;){M=e=0;W=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=lc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++M,a.b[g]<W&&(e=g,W=a.b[g]))}if(0==e){if(0==$)break a;Jd[c]=!0;c=l[$--]}else break}f=c;c=e;1<M&&(l[++$]=f,N[e]=!0)}Kd=v(F,k,-1,a.u+1,1);Ld=v(F,k,-1,a.t+1,1);if(a.n.Jb){var hH=qb,rL=lc,Fs,iH,mh,Be,Gs,Hs,Ka,uj,Is;mh=v(F,k,-1,a.t+1,1);for(Ka=1;Ka<=a.t;++Ka)mh[b[Ka]]=Ka;Gs=v(ZF,r,-1,a.u+ -1,2);for(Ka=1;Ka<=a.t;++Ka)Fs=b[Ka],iH=hH[Fs],Be=RF(a,Fs,iH),0!=Be&&(dG(a,Be,mh,Kd,G),Gs[Be]=!0);for(Ka=1;Ka<=a.u;++Ka)Gs[Ka]||dG(a,Ka,mh,Kd,G);Ka=1;a:for(;Ka<=a.t;++Ka)if(!(2>a.z[Ka]||4<a.z[Ka])){Hs=Is=0;for(uj=1;uj<=a.z[Ka];++uj){Be=RF(a,Ka,a.G[Ka][uj]);if(5==a.i[Be])continue a;1==a.s[Be]&&0!=eG(a,Be,Ka)&&++Is;2==a.s[Be]&&(Hs=a.G[Ka][uj])}if(0!=Is)if(0<Hs){var fa=a,kH=Ka,jf=mh,Sc=Ld,nc=void 0,vj=void 0,Hc=void 0,Ce=void 0,Ic=void 0,Am=void 0,Bm=void 0,Cm=void 0,Pd=void 0,Tc=void 0,Uc=void 0,Js= -void 0,wj=void 0,Qd=void 0,xj=void 0,De=void 0,yj=void 0,Ks=void 0,zj=void 0,Ee=void 0,lH=void 0,kf=void 0,mH=void 0,Ls=void 0,Aj=void 0,lf=void 0,Uc=1,vj=kH,nc=v(F,k,-1,fa.t+1,1);for(nc[1]=kH;;){Js=!1;for(Tc=1;Tc<=fa.z[vj];++Tc)if(Hc=fa.G[vj][Tc],!(Hc==nc[1]||Hc==nc[Uc-1]))if(Ce=RF(fa,vj,Hc),2==fa.s[Ce]&&5!=fa.i[Ce]){vj=nc[++Uc]=Hc;Js=!0;break}if(!Js)break}if(!(0==Uc%2||2>fa.z[nc[Uc]]||3<fa.z[nc[Uc]])){lf=nc[1];Ic=nc[~~((Uc+1)/2)];Pd=nc[Uc];kf=Ee=De=Qd=0;Ls=Ks=!1;for(Tc=1;Tc<=fa.z[lf];++Tc)Hc=fa.G[lf][Tc], -Ce=RF(fa,lf,Hc),1!=fa.s[Ce]||5==fa.i[Ce]||(0==Qd?Qd=Hc:De=Hc);0<jf[De]&&jf[Qd]>jf[De]&&(Am=Qd,Qd=De,De=Am);wj=Qd;0==Qd&&(wj=De,Ks=!0);for(Tc=1;Tc<=fa.z[Pd];++Tc)Hc=fa.G[Pd][Tc],Ce=RF(fa,Pd,Hc),1!=fa.s[Ce]||5==fa.i[Ce]||(0==Ee?Ee=Hc:kf=Hc);0<jf[kf]&&jf[Ee]>jf[kf]&&(Am=Ee,Ee=kf,kf=Am);zj=Ee;0==Ee&&(zj=kf,Ls=!0);xj=eG(fa,RF(fa,lf,Qd),lf);yj=eG(fa,RF(fa,lf,De),lf);lH=eG(fa,RF(fa,Pd,Ee),Pd);mH=eG(fa,RF(fa,Pd,kf),Pd);1<(0>xj+yj?-(xj+yj):xj+yj)||0!=lH||0!=mH?Dq(fa.n,"Bad stereoinfo on allene !"):(Bm=fa.J[nc[Uc- -1]]-fa.J[Pd],Cm=fa.M[nc[Uc-1]]-fa.M[Pd],Aj=Math.sqrt(Bm*Bm+Cm*Cm),0.001>Aj&&(Aj=0.001),0<(fa.M[zj]-fa.M[nc[Uc-1]])*(Bm/Aj)-(fa.J[zj]-fa.J[nc[Uc-1]])*(Cm/Aj)?Sc[Ic]=1:Sc[Ic]=-1,Ks&&(Sc[Ic]*=-1),Ls&&(Sc[Ic]*=-1),wj==Qd&&0>xj&&(Sc[Ic]*=-1),wj==De&&0>yj&&(Sc[Ic]*=-1),jf[wj]>jf[zj]&&(Sc[Ic]*=-1))}}else b:{var oc=a,pc=Ka,sL=hH,tL=mh,uL=o,vL=n,wL=rL,Dm=Ld,Em=void 0,Vc=void 0,Ms=void 0,nh=void 0,za=void 0,oh=void 0,sd=void 0,Bj=void 0,Rd=void 0,Kb=void 0,ba=void 0,Db=void 0,Fe=void 0,Fm=void 0,Wc=void 0, -ka=void 0,Gm=void 0,Db=v(F,k,-1,4,1),Fm=v(F,k,-1,4,1),ph=oc,Sd=pc,nH=tL,Ns=sL,oH=uL,pH=vL,xL=wL,Eb=Db,Cj=void 0,Xc=void 0,Hm=void 0,Im=void 0,Os=void 0,Dj=void 0,Dj=-1;0<Ns[Sd]&&(Eb[++Dj]=Ns[Sd]);for(Xc=1;Xc<=xL;++Xc)oH[Xc]==Sd&&(Eb[++Dj]=pH[Xc]),pH[Xc]==Sd&&(Eb[++Dj]=oH[Xc]);for(Xc=Dj+1;Xc<ph.z[Sd];++Xc){Os=ph.t+1;Hm=1;c:for(;Hm<=ph.z[Sd];++Hm){Cj=ph.G[Sd][Hm];for(Im=0;Im<Xc;++Im)if(Cj==Eb[Im])continue c;nH[Cj]<Os&&(Os=nH[Cj],Eb[Xc]=Cj)}}0==Ns[Sd]&&0<ph.x[Sd]?(Eb[3]=Eb[2],Eb[2]=Eb[1],Eb[1]=Eb[0], -Eb[0]=-1):0<ph.x[Sd]&&(Eb[3]=Eb[2],Eb[2]=Eb[1],Eb[1]=-1);for(za=Bj=oh=nh=Gm=sd=Kb=0;4>za;++za)0>=Db[za]||(Em=RF(oc,pc,Db[za]),Fm[za]=eG(oc,Em,pc),0<Fm[za]?(++Kb,Gm=Db[za],oh=Db[za]):0>Fm[za]?(++sd,nh=Db[za],oh=Db[za]):Bj=Db[za]);Rd=Kb+sd;ka=v(F,k,-1,4,1);Wc=0;if(3==oc.z[pc]){if(1==Kb&&1==sd||3==Rd&&0<Kb&&0<sd){Dq(oc.n,"Error in C3H stereospecification !");break b}Fe=Db[0];1==Rd?Fe=oh:2==Rd&&(Fe=Bj);ba=PF(oc,pc,Fe,Db);ka[0]=oh;ka[1]=-1;ka[2]=ba[2];ka[3]=ba[1];0<Kb?Wc=1:Wc=-1}else if(4==oc.z[pc])if(1== -Rd)ba=PF(oc,pc,oh,Db),ka[0]=ba[0],ka[1]=ba[3],ka[2]=ba[2],ka[3]=ba[1],0<Kb?Wc=1:Wc=-1;else{Fe=Db[0];1<Bj&&(Fe=Bj);1==Kb?Fe=Gm:1==sd&&(Fe=nh);ba=PF(oc,pc,Fe,Db);Vc=v(F,k,-1,4,1);for(za=0;4>za;++za)Em=RF(oc,pc,ba[za]),Vc[za]=eG(oc,Em,pc);if(4==Rd){if(0==Kb||0==sd){Dq(oc.n,"Error in C4 stereospecification !");break b}if(1==Kb||1==sd)ka[0]=ba[0],ka[1]=ba[3],ka[2]=ba[2],ka[3]=ba[1],Wc=Vc[0];else{for(za=0;4>za;++za)-1==Vc[za]&&(Vc[za]=0);Rd=2}}else if(3==Rd)if(3==Kb||3==sd)ka[0]=ba[0],ka[1]=ba[3],ka[2]= -ba[2],ka[3]=ba[1],0<Kb?Wc=-1:Wc=1;else{1==Kb?Kb=Ms=1:sd=Ms=-1;for(za=0;4>za;++za)Vc[za]==Ms&&(Vc[za]=0);Rd=2}if(2==Rd)if(1==Kb&&1==sd)ba[1]==nh?(ba[1]=ba[2],ba[2]=ba[3]):ba[2]==nh&&(ba[2]=ba[3]),ka[0]=Gm,ka[1]=nh,ka[2]=ba[2],ka[3]=ba[1],Wc=1;else{if(Vc[0]==Vc[1]||Vc[1]==Vc[2]){Dq(oc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Vc[0]?(ka[0]=ba[0],ka[1]=ba[2],ka[2]=ba[1],ka[3]=ba[3]):(ka[0]=ba[1],ka[1]=ba[3],ka[2]=ba[2],ka[3]=ba[0]);1<Kb?Wc=1:Wc=-1}}var T=ka,Ej=Db,ib=void 0;Ej[0]==T[1]?(ib= -T[0],T[0]=T[1],T[1]=ib,ib=T[2],T[2]=T[3],T[3]=ib):Ej[0]==T[2]?(ib=T[2],T[2]=T[0],T[0]=ib,ib=T[1],T[1]=T[3],T[3]=ib):Ej[0]==T[3]&&(ib=T[3],T[3]=T[0],T[0]=ib,ib=T[1],T[1]=T[2],T[2]=ib);Ej[1]==T[2]?(ib=T[1],T[1]=T[2],T[2]=ib,ib=T[2],T[2]=T[3],T[3]=ib):Ej[1]==T[3]&&(ib=T[1],T[1]=T[3],T[3]=ib,ib=T[2],T[2]=T[3],T[3]=ib);ka[2]==Db[2]?Dm[pc]=1:ka[2]==Db[3]?Dm[pc]=-1:Dq(oc.n,"Error in stereoprocessing ! - t30");Dm[pc]*=Wc}}}Va=new yD;i=v(F,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -N[c]&&(Va.b.b+=ta);0<qb[q]&&fG(a,c,qb[c],Va,Kd);var qh=w[c],Fb=void 0,Fj=void 0,rh=void 0,R=void 0,R=Nc,Fb=!1;0!=a.A[c]&&(Fb=!0);0!=Ld[c]&&(Fb=!0);rh=-1;for(Fj=1;Fj<=a.y;++Fj)if(a.q[Fj][0]==c){rh=a.q[Fj][1];break}-1<rh&&(Fb=!0);a.n.Ib&&0<a.e[c]&&(Fb=!0,rh=1);switch(a.c[c]){case 2:R=xb;break;case 3:qh?R="c":R=Ab;break;case 4:qh?(R=wf,0<a.x[c]&&(Fb=!0)):R=bc;break;case 5:qh?R="o":R=ic;break;case 7:qh?(R="p",0<a.x[c]&&(Fb=!0)):R=kc;break;case 8:qh?R=hg:R=zc;break;case 13:qh?R=kg:R=Bc;Fb=!0;break;case 6:R= -Ec;Fb=!0;break;case 9:R=Ob;break;case 10:R=Ib;break;case 11:R=zb;break;case 12:R=Ub;break;case 1:R=Sb;Fb=!0;break;case 19:R=mc;Fb=!0;break;case 20:R=qc;Fb=!0;break;case 21:R=rc;Fb=!0;break;case 22:R=sc;Fb=!0;break;case 18:Fb=!0,R=a.o[c],(D(R,wa)||D(R,Yc)||D(R,tb))&&(Fb=!1)}Fb&&(R=Oc+R,1==Ld[c]?R+=sb:-1==Ld[c]&&(R+="@@"),1==a.x[c]?R+=Sb:1<a.x[c]&&(R+=Sb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?R+=xa:R+=Ba,1<Kj(a.A[c])&&(R+=Kj(a.A[c]))),-1<rh&&(R+=kb+rh),R+=Qc);gn(Va.b,R);for(A=1;A<=lc;++A)if(o[A]==c||n[A]==c)d= -n[A],d==c&&(d=o[A]),i[c]<i[d]&&fG(a,o[A],n[A],Va,Kd),9<A&&(Va.b.b+="%"),fn(Va,j+(new Q(A)).b);Jd[c]&&(Va.b.b+=ua)}return Va.b.b} -function hF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)EC(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function iF(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&hF(a,c);0==a.z[d]&&hF(a,d)} -function $F(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=RF(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&hF(a,c)}}}function XF(a){var b;b=a.c.length;a.G=Yr([b,7]);a.z=v(F,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function bG(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(F,k,-1,a.u+1,1);o=v(ZF,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[RF(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:YF(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(ZF,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function wE(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=K(I(qD((a.J[b]+a.J[c])/2))),a.N[d]=K(I(qD((a.M[b]+a.M[c])/2)))}function aG(a,b){var c;for(c=1;c<=a.u;++c)TE(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function RE(a,b){var c;c=(cE(),wC)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function YF(a,b){return 2==a.s[b]?!0:!1}function TE(a,b,c){var d,e,f,g;g=1;a.b=v(F,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function uF(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Yr([b+5,2]),zD(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function uC(a){var b;a.y=0;a.r=0;FF(a);for(b=1;b<=a.t;++b)a.D=b,uF(a);a.D=0} -function gF(a){var b,c;b=v(tE,r,-1,4,1);uE(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function pE(a,b){var c,d,e,f,g,i,h,l;c=v(tE,r,-1,4,1);uE(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;uE(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function DF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function kF(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&rD(c,Qc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(ya)&&(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(Sb);g=Jj(c.indexOf(xa),c.indexOf(Ba));if(-1<d){i=Rn(c,d+1);try{a.n.y=MB(i,10)}catch(h){if(h=Di(h),y(h,118))a.n.y=0;else throw h;}a.D=b;uF(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Ab)?3:D(d,xb)?2:D(d,bc)?4:D(d,ic)?5:D(d,kc)?7:D(d,zc)?8:D(d,Ob)?9:D(d,Ib)?10:D(d,zb)?11:D(d,Ub)?12:D(d,Sb)?1:D(d,Bc)?13:D(d,Ec)?6:D(d,mc)?19:D(d,qc)?20:D(d,rc)?21:D(d,sc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ca;d=0;0<e&&(d=1,e=$C(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=$C(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=$C(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=$C(c,g++);for(;45==e;)--d,e=$C(c,g++)}a.A[b]=d}}} -function zC(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new fC(b);try{for(;b.k=ZB(b,b.b),b.k<b.j;)d=mD(MB(bC(b),10)).b,c=e=mD(MB(bC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Di(f),y(f,118))dn(f);else throw f;}}function fG(a,b,c,d,e){b=RF(a,b,c);5!=a.i[b]&&YF(a,b)?d.b.b+=ob:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=rb,a=a.f[b],null!=a&&(e=a),gn(d.b,e)):1==e[b]?d.b.b+=Xa:-1==e[b]&&(d.b.b+=Pc)} -function vF(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Dq(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Dq(a.n,"Stereomarking allowed only on single and double bonds!")} -function dG(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=RF(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=RF(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=RF(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=RF(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Dq(a.n,"Not unique E/Z geometry !");else{i=RF(a,b,e);f=RF(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=RF(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function WF(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=RF(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(YF(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function eG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function jF(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=WF(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function xE(a){OF(this);this.n=a;this.y=this.u=this.t=0} -function YE(a,b){var c,d,e,f,g,i,h;xE.call(this,a);f=j;i=WE(b);if(null!=i){h=new eC(b,i,!0);for(e=1;4>=e;++e)f=XE(h,i);g=mD(MB(Qn(f.substr(0,3)),10)).b;c=mD(MB(Qn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)wF(this),f=XE(h,i),this.J[e]=(new lD(iD(Qn(f.substr(0,10))))).b,this.M[e]=-(new lD(iD(Qn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Qn(f.substr(31,d-31)),kF(this,e,d),62<=f.length&&(f=Qn(f.substr(60,3)),0<f.length&&(f=mD(MB(f,10)).b,0<f&&(this.D=e,a.y=f,uF(this),this.D=0)));for(e=1;e<=c;++e)BF(this), -f=XE(h,i),this.H[e]=mD(MB(Qn(f.substr(0,3)),10)).b,this.I[e]=mD(MB(Qn(f.substr(3,3)),10)).b,g=mD(MB(Qn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=mD(MB(Qn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);XF(this);DF(this);vE(this);for(NC(this);(h.k=ZB(h,h.b),h.k<h.j)&&!(null==(f=bC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new dC(f);bC(g);bC(g);i=mD(MB(bC(g),10)).b; -for(e=1;e<=i;++e)c=mD(MB(bC(g),10)).b,this.A[c]=mD(MB(bC(g),10)).b}if(0==f.indexOf("M APO")){g=new dC(f);bC(g);bC(g);i=mD(MB(bC(g),10)).b;for(e=1;e<=i;++e)c=mD(MB(bC(g),10)).b,f=mD(MB(bC(g),10)).b,this.D=c,Z(this,0),kF(this,this.t,mc+f),this.D=0}}$F(this);NC(this)}} -function MC(a,b){var c,d,e,f,g;xE.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));rD(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new dC(b);d=mD(MB(bC(f),10)).b;e=mD(MB(bC(f),10)).b;for(c=1;c<=d;++c)g=bC(f),wF(this),kF(this,this.t,g),this.J[c]=(new lD(iD(bC(f)))).b,this.M[c]=-(new lD(iD(bC(f)))).b;for(c=1;c<=e;++c)if(BF(this),this.H[c]=mD(MB(bC(f),10)).b,this.I[c]=mD(MB(bC(f),10)).b,this.s[c]=mD(MB(bC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else if(11==this.s[c]||12==this.s[c]||13==this.s[c]||14==this.s[c])this.B[c]=this.s[c],this.s[c]=9;XF(this);DF(this);vE(this)}catch(i){i=Di(i);if(y(i,118)){i.xc();this.t=0;return}throw i;}$F(this);NC(this)}} -function $E(a,b,c){var d,e,f;xE.call(this,a);f=v(F,k,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.b[a]==c&&(wF(this),this.c[this.t]=b.c[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.e[this.t]=b.e[a],this.d[this.t]=b.d[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))BF(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.f[this.u]=b.f[a];for(a= -1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.k=b.k;NC(this);vE(this)} -function nF(a,b,c){var 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113:X(b,OA);c=a.Y-8;e=g+~~((a.Y-c)/2);d=f+~~((a.Y-c)/2);pB(b,e,d,c,c);X(b,IA);KF(a, -b,g,f,DA,"i");break;case 201:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)+2);Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)-2);Z(b,g+a.Y-c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)-2);break;case 202:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));break;case 203:Z(b,g+c,f+~~(a.Y/2)-2,g+a.Y-c,f+~~(a.Y/2)-2);Z(b,g+c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)+2);break;case 204:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Z(b,g+c,f+~~(a.Y/2)-3,g+a.Y-c,f+~~(a.Y/2)-3);Z(b,g+c,f+~~(a.Y/2)+3,g+a.Y-c,f+~~(a.Y/2)+3);break;case 205:Z(b,g+~~(c/2),f+ -2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Z(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Z(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:LF(a,b,g,f+2,3);break;case 207:LF(a,b,g,f,4);break;case 208:LF(a,b,g,f,5);break;case 209:LF(a,b,g,f,1);break;case 210:LF(a,b,g,f,6);break;case 211:LF(a,b,g,f,7);break;case 212:LF(a,b,g,f,8);break;case 213:JF(a,b,g,f,"FG"),a.F=new EB(g,f)}else 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b,c,d,e;if(a.lb){e=a.cb.b;c=a.C.c-a.Y;b=a.C.b-3*a.Y-a.S;X(e,a.t);pB(e,0,0,c,b);d=a.db?(LB(),OB):(LB(),QB);if((LB(),MB)==(LB(),MB))d==OB?e.b=j:e.b=qg;d=new aA(a.eb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ha);for(d=1;d<=a.tb;++d){var f=a.fb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,H=w=o=m=void 0,B=n=void 0,K=m=q=o=i=void 0,P=m=i=void 0,Y=h=o=h=void 0,da=w=B=void 0,N=da=q=n=l=B=m=q=H=K=n=void 0,N=h=n=o=o=K=N=Y=i=P=P=H=Y=n=n=P=Y=void 0,w=B=1,l= -2,da=3;f.w&&(zF(f),wF(f.n,1,f.n.tb,0),f.w=!1);1!=f.n.B&&(l*=f.n.B,da*=f.n.B,i=1,0.7>f.n.B&&(i=1.2),i=J(13*f.n.B*i),f.n.k=new cB(Vb,0,i),f.n.n=new SB((fq(),f.n.k)));f.n.A&&(X(g,(CA(),IA)),DF(g,0,0,f.n.C.c-1,f.n.C.b-1));if(0!=f.t){if(-1==f.k){m=M(L(Math.round(12*l)));for(i=1;i<=f.t;++i)0<f.e[i]&&7>f.e[i]&&(X(g,(gF(),kF)[f.e[i]]),h=g,o=J(f.J[i]-m/2),P=J(f.M[i]-m/2),Y=N=m,EF(h,!0),FF(h,GF(h,o,P,N,Y)));for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],0!=f.e[h]&&f.e[h]==f.e[m]&&(X(g,(gF(),kF)[f.e[h]]),n=f.J[m]-f.J[h], 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-f.n.c&&(da=g,i=K,B=H,da.o&&(EF(da,!1),FF(da,SF(da,i,B,5,!0)))),106==f.n.c&&XF(f,f.H[f.E],f.I[f.E]))){da=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++da;if(da>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;X(g,(CA(),JA));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],DF(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(X(e,(CA(),HA)),Z(e,c-1,0,c-1,b-1)):(X(e,QA(HD)),Z(e,c-1,0,c-1,b-1),X(e,HD),Z(e,c-2,0,c-2,b-1),X(e,iF),Z(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),X(e,(CA(),MA)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new cB(Vb,0,13),a.W=new SB(a.T),null!=a.bb&&(d=TB(a.W,a.bb),c=M(L(Math.round((c-d)/2))),b-=13,X(e,(CA(),IA)),NF(e,a.T),OF(e,a.bb,c,b)));PF(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function LF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(I,k,-1,9,1);l=v(I,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+a*Math.sin(i)),l[f]=J(d+a*Math.cos(i));f=e+1;b.o&&(EF(b,!1),FF(b,SF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+(a-3)*Math.sin(i)),l[f]=J(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function YF(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,HD);pB(d,0,0,b,c);a.nb?(X(d,(CA(),HA)),c=13*(a.Y+a.S),DF(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,QA(HD)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,iF),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)CF(a,d,b,1),CF(a,d,b,2);a.c=c;PF(a.Ob,a.Lb,0,0)}} -function IF(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);HF(a,b,c+m-i,f,d-4-i-1,e,h)} -function ZF(a,b){var c,d,e,f,g,i,h;MD(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=$F(b);h=new WC(b,g,!0);d=j;for(c=1;5>=c;++c)d=aG(h,g);c=qE(DC(Sn(d.substr(0,3)),10)).b;f=qE(DC(Sn(d.substr(3,3)),10)).b;aG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=aG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new bG(a,e)}wF(a,1,c,1);wF(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new bG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",gD(a),!1;null!=a.i&&a.Z&&BD(a.Z,a.i,!0);null!=a.j&& -a.Z&&BD(a.Z,a.j,!1);g=cG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new dG(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];wF(a,1,g,0)}gD(a);return!0} -function eG(a,b){var c,d,e,f,g,i,h,l;MD(a);c=f=0;l=new WC(b,"|>",!0);e=-1<b.indexOf(rb);i=1;g=PC(l);a.tb=0;for(d=1;d<=g;++d)if(h=TC(l),Sn(h),!D(h,ah))if(D(h,rb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new QD(a,h);if(0==a.Z.t)return SD(a,"ERROR - problems in reading/processing molecule !"),pC(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return SD(a,"ERROR - strange reaction - fixing !"),pC(),!1;if(3<i)return SD(a,"ERROR - strange reaction !"),pC(),!1;1<a.tb&&!e&&vD(a,xf);e&&!a.Bb&&vD(a,Yf);!e&&a.Bb&& -vD(a,Bf);e?(wF(a,1,f,1),wF(a,f+1,c-1,2),wF(a,c,a.tb,3)):wF(a,1,a.tb,0);gD(a);return!0}function tr(a,b){a.jb=!0;a.J=b} -function xr(a,b){var c,d;if(0==b)return!1;uF(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:ID(a);d=a.$;d.b=d.c;d.c.d=null;fG(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;gG(a,dF(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new Ev("Cannot redo. Index is out of range."); -if(!d.b.d)throw new Ev(Yb);d.b=d.b.d;gG(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=uu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=gc):(tr(a,cc+(a.Db.b+1)+fa+a.Db.d),d=wE(d),CD(a,d,!1),null!=a.rb&&YC(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=uu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=gc):(tr(a,cc+(a.Db.b+1)+fa+a.Db.d),d=wE(d),CD(a,d,!1),null!=a.rb&&YC(a.rb,null));break;case 101:a.Gb&&YE(a.Gb);a.Gb=new hG(1,a);a.c=c;break;case 107:!a.zb?a.zb=new iG(a):a.zb.ac.d.hb?jG(a.zb.ac.d): -FD(a.zb);break;case 113:a.b&&YE(a.b);a.b=new hG(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,wD(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=kG(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(xF,r,-1,4,1);yF(a.Z,d);a.lb=!0;a.Z=new nF(a.Z);d=J(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;RD(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 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e,f,g;g=at([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)kG(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(qG(g[1][0],3)+qG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+rG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+rG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new sG(a,a.fb,a.tb)),c=rG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function tG(a,b,c,d){var e;e=c;var f=d,g,i;(g=uG(b),i=0!=(b.f&2),g||i)?(g=a.Bb?(!a.w&&(a.w=sD(a,!0)),a.w):(!a.v&&(a.v=sD(a,!1)),a.v),oG(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=vG(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;13>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=tD+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",gD(a),!0; -if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=xr(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)lG(a.Z,a.Z.D),a.Z.D=0,vF(a);else{if(106==a.c)return!0;if(108==a.c)wG(a.Z,a.Z.D,0),vF(a);else if(157==a.c)wG(a.Z,a.Z.D,1),vF(a);else if(158==a.c)wG(a.Z,a.Z.D,-1),vF(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):vF(a);else if(206<= -a.c&&229>=a.c)a.O=2,xG(a.Z),vF(a);else if(230==a.c)a.O=3,vF(a);else if(233<=a.c&&262>a.c)yG(a.Z,!1),vF(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;pG(a.Z,a.Z.D,Wn(a.zb.f.ac.b.pb,Tg));vF(a)}else if(105==a.c)zG(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=Wn((ur(),vr).ac.b.pb,Tg),1>d.length&&(d=Nc),pG(a.Z,a.Z.D,d)),vF(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,xG(a.Z),vF(a);else 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BF(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(BG(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c? -(a.Z.L=c,a.Z.O=d,a.O=2,xG(a.Z)):300<a.c?(BG(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=Wn((ur(),vr).ac.b.pb,Tg),1>d.length&&(d=Nc),pG(a.Z,1,d))):230==a.c?AD(a,null):233<=a.c&&262>a.c?(BG(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,yG(a.Z,!0)):pC();vF(a)}else e=!1;e&&(nG(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,gD(a))}return e} -function CG(a,b,c,d){var e,f;if(a.z||!a.hb||uG(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=DG(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)BG(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)BG(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)GG(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[WG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[WG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(I,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=M(L(uE((a.J[b]+a.J[e])/2))),a.N[c]=M(L(uE((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;GG(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=M(L(uE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=M(L(uE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(GG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=M(L(uE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=M(L(uE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(GG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=M(L(uE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=M(L(uE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(lG(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&YG(a,i);-1<l&&(a.D=l)} -function ZG(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)BG(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function YG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=DG(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function WG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function $G(a,b,c){var d,e,f,g;e=ch;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Nt(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Nt(c[d])&&!Bt(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)Ht(c[d],e)&&(b[d]=g,c[d]=ch,++f);if(f==a.t)break}return g==a.t} -function zF(a){var b,c,d;b=v(xF,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{yF(a,b);c=~~(c/2)-M(L(Math.round(b[0])));d=~~(d/2)-M(L(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;AF(a)}} -function yF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function wG(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=aH(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&tr(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?tr(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?tr(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?tr(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:tr(a.n,"Charge change not possible on the halogen !");break;case 18:tr(a.n, -"Use X button to change charge on the X atom !")}} -function cG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(I,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(I,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&lG(a,c);zF(a);tr(a.n,"Smaller part(s) removed !");return 1} -function DG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function HG(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];nG(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),nG(a));4==a.s[d]&&(a.s[d]=1)}} -function VG(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 RD(a){var b;bH(a);b=a.s.length;a.K=v(I,k,-1,b,1);a.N=v(I,k,-1,b,1);AF(a);nG(a)} -function BG(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(I,k,-1,c,1),DE(a.c,b,a.c.length),a.c=b,b=v(I,k,-1,c,1),DE(a.A,b,a.A.length),a.A=b,b=v(I,k,-1,c,1),DE(a.x,b,a.x.length),a.x=b,b=v(I,k,-1,c,1),DE(a.e,b,a.e.length),a.e=b,b=v(lt,r,1,c,0),DE(a.d,b,a.d.length),a.d=b,b=v(lt,r,1,c,0),DE(a.o,b,a.o.length),a.o=b,b=v(xF,r,-1,c,1),DE(a.J,b,a.J.length),a.J=b,b=v(xF,r,-1,c,1),DE(a.M,b,a.M.length),a.M=b,b=at([c,7]),DE(a.G,b,a.G.length),a.G=b,c=v(I,k,-1,c,1),DE(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function WF(a,b,c,d,e,f){var g;g=M(L(uE(a.J[b]-c/2)));f||(g-=d-c);a=M(L(uE(a.M[b]-~~(e/2))));return new Dz(g-1-2,a-2,d+1+4,e+4)} -function GG(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(I,k,-1,b,1),DE(a.H,c,a.H.length),a.H=c,c=v(I,k,-1,b,1),DE(a.I,c,a.I.length),a.I=c,c=v(I,k,-1,b,1),DE(a.s,c,a.s.length),a.s=c,c=v(I,k,-1,b,1),DE(a.B,c,a.B.length),a.B=c,c=v(I,k,-1,b,1),DE(a.K,c,a.K.length),a.K=c,c=v(I,k,-1,b,1),DE(a.N,c,a.N.length),a.N=c,b=v(lt,r,1,b,0),DE(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function rG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(gF(),aa);i+="JME 2013-04-10 "+new RE+"\n \n";i+=qG(a.t,3)+qG(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=JG(0.055999999999999994*(a.J[e]-c),10,4)+JG(0.055999999999999994*(g-a.M[e]),10,4)+JG(0,10,4);h=VF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+qG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=qG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:cH(a,e)&&(g=2),c=qG(a.H[e],3)+qG(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=qG(a.I[e],3)+qG(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=qG(a.I[e],3)+qG(a.H[e],3)),i+=c+qG(g,3)+qG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+qG(e,4)+qG(a.A[e],4)+aa);return i+"M END\n"} -function KG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,H,B,K,P,Y,da,N,nc,Cc,ag,wb,Nd,Od,Pd,Va,Dc;o=v(I,k,-1,a.t+10,1);n=v(I,k,-1,a.t+10,1);l=v(I,k,-1,a.t+1,1);m=v(I,k,-1,7,1);wb=v(I,k,-1,a.t+1,1);w=v(dH,r,-1,a.t+1,2);H=v(dH,r,-1,a.u+1,2);nc=0;if(0==a.t)return j;cG(a,!0);ag=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){ag=!1;break}if(a.n.s&&ag){eH(a);HG(a);fH(a,H);gH(a,w,H);var Eb,sd,cf,bc,xe,td,ud,eb,kI,Sd,t,wa,Hm,Im,Ds,kf,Ma,Jm,Km,Gc,Lm;Eb=v(I,k,-1,a.t+1,1);sd=v(I,k,-1,a.t+1,1);eb=v(hH,r,-1,a.t+1,3);var Es=a.t,Mm, -rh,Fs,mg,Aj,De,lf;Aj=v(hH,r,-1,Es+2,3);De=v(I,k,-1,100,1);lf=5;mg=0;De[0]=3;Aj[1]=eh;Aj[2]=fh;Fs=2;if(!(3>Es))for(;lf<De[mg]*De[mg];){rh=0;for(Mm=!0;Mm&&rh<=mg&&lf>=De[rh]*De[rh];)0==lf%De[rh]?Mm=!1:++rh;if(Mm){Aj[++Fs]=Kt(lf);if(Fs>=Es)break;mg<De.length-1&&(++mg,De[mg]=lf)}lf+=2}for(t=1;t<=a.t;++t){for(wa=Km=1;wa<=a.u;++wa)(a.H[wa]==t||a.I[wa]==t)&&(Km*=a.i[wa]);Jm=a.c[t];18==Jm&&(Lm=a.o[t],td=Lm.charCodeAt(0)-65+1,ud=0,1<Lm.length&&(ud=Lm.charCodeAt(1)-97),0>td&&(td=0),0>ud&&(ud=0),Jm=28*td+ud); -kf=0;-2>a.A[t]?kf=1:-2==a.A[t]?kf=2:-1==a.A[t]?kf=3:1==a.A[t]?kf=4:2==a.A[t]?kf=5:2<a.A[t]&&(kf=6);Gc=1;eb[t]=Kt(Km);Gc*=126;eb[t]=Ft(eb[t],Kt(a.x[t]*Gc));Gc*=7;eb[t]=Ft(eb[t],Kt(kf*Gc));Gc*=7;eb[t]=Ft(eb[t],Kt(Jm*Gc));Gc*=783;eb[t]=Ft(eb[t],Kt(a.z[t]*Gc))}for(xe=0;!$G(a,Eb,eb);){Ds=!1;for(t=1;t<=a.t;++t)Eb[t]!=sd[t]&&(sd[t]=Eb[t],Ds=!0);if(Ds){for(t=1;t<=a.t;++t){eb[t]=dh;for(wa=1;wa<=a.z[t];++wa)eb[t]=Ot(eb[t],Aj[Eb[a.G[t][wa]]])}xe=0}else if(0<xe){for(t=1;t<=a.t;++t)eb[t]=dh;t=1;a:for(;t<=a.t- -1;++t)for(wa=t+1;wa<=a.t;++wa)if(Eb[t]==Eb[wa]){eb[t]=eh;break a}}else{for(t=1;t<=a.t;++t){eb[t]=dh;for(wa=1;wa<=a.z[t];++wa)cf=a.G[t][wa],eb[t]=Ot(eb[t],Kt(a.c[cf]*a.i[WG(a,t,cf)]))}xe=1}$G(a,Eb,eb);for(t=1;t<=a.t;++t)eb[t]=Kt(sd[t]*a.t+Eb[t])}for(t=1;t<=a.t;++t)sd[t]=Eb[t];for(Ma=1;Ma<=a.t;++Ma)for(t=1;t<=a.t;++t)if(sd[t]==Ma){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Ma];a.A[t]=a.A[Ma];a.J[t]=a.J[Ma];a.M[t]=a.M[Ma];a.z[t]=a.z[Ma];a.c[Ma]=a.c[0];a.A[Ma]=a.A[0]; -a.J[Ma]=a.J[0];a.M[Ma]=a.M[0];a.z[Ma]=a.z[0];sd[t]=sd[Ma];sd[Ma]=Ma;a.o[0]=a.o[t];a.o[t]=a.o[Ma];a.o[Ma]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Ma];a.e[Ma]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Ma];a.x[Ma]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Eb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Eb[a.H[t]],a.I[t]=Eb[a.I[t]],a.H[t]>a.I[t]&&(Sd=a.H[t],a.H[t]=a.I[t],a.I[t]=Sd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Im=Hm= -a.t;bc=0;for(wa=t;wa<=a.u;++wa)a.H[wa]<Hm?(Hm=a.H[wa],Im=a.I[wa],bc=wa):a.H[wa]==Hm&&a.I[wa]<Im&&(Im=a.I[wa],bc=wa);Sd=a.H[t];a.H[t]=a.H[bc];a.H[bc]=Sd;Sd=a.I[t];a.I[t]=a.I[bc];a.I[bc]=Sd;Sd=a.s[t];a.s[t]=a.s[bc];a.s[bc]=Sd;Sd=a.B[t];a.B[t]=a.B[bc];a.B[bc]=Sd;kI=a.f[t];a.f[t]=a.f[bc];a.f[bc]=kI}RD(a);nG(a);fH(a,H);gH(a,w,H)}else{fH(a,H);a.i=v(I,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(I,k,-1,a.t+1,1);Dc=1;a.b[1]=1;for(da=0;;){N=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=wb[c]){Cc=!0;for(K=1;K<=nc;++K)if(o[K]==c&&n[K]==g||o[K]==g&&n[K]==c){Cc=!1;break}Cc&&(++nc,o[nc]=c,n[nc]=g)}}else m[++N]=g;if(0==N){if(Dc==a.t)break;c=l[da--]}else if(1==N)wb[m[1]]=c,c=m[1],a.b[c]=++Dc;else{l[++da]=c;e=0;for(q=1;q<=N;++q)if(h=WG(a,m[q],c),!H[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=WG(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);wb[e]=c;c=e;a.b[e]=++Dc}}wb=v(I,k,-1,a.t+1,1);b=v(I,k,-1,a.t+1,1);P=v(dH,r,-1,a.t+1,2);Nd=v(dH,r,-1,a.t+1,2);f=Dc=da=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(wb[c]=f);b[++Dc]=c;for(a.b[c]=0;;){N=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(B=1;B<=nc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.b[g]&&(++N,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Nd[c]=!0;c=l[da--]}else break}f=c;c=e;1<N&&(l[++da]=f,P[e]=!0)}Od=v(I,k,-1,a.u+1,1);Pd=v(I,k,-1,a.t+1,1);if(a.n.Jb){var mI=wb,sM=nc,Gs,nI,sh,Ee,Hs,Is,Ka,Bj,Js;sh=v(I,k,-1,a.t+1,1);for(Ka=1;Ka<=a.t;++Ka)sh[b[Ka]]=Ka;Hs=v(dH, -r,-1,a.u+1,2);for(Ka=1;Ka<=a.t;++Ka)Gs=b[Ka],nI=mI[Gs],Ee=WG(a,Gs,nI),0!=Ee&&(iH(a,Ee,sh,Od,H),Hs[Ee]=!0);for(Ka=1;Ka<=a.u;++Ka)Hs[Ka]||iH(a,Ka,sh,Od,H);Ka=1;a:for(;Ka<=a.t;++Ka)if(!(2>a.z[Ka]||4<a.z[Ka])){Is=Js=0;for(Bj=1;Bj<=a.z[Ka];++Bj){Ee=WG(a,Ka,a.G[Ka][Bj]);if(5==a.i[Ee])continue a;1==a.s[Ee]&&0!=jH(a,Ee,Ka)&&++Js;2==a.s[Ee]&&(Is=a.G[Ka][Bj])}if(0!=Js)if(0<Is){var ia=a,pI=Ka,mf=sh,Sc=Pd,pc=void 0,Cj=void 0,Hc=void 0,Fe=void 0,Ic=void 0,Nm=void 0,Om=void 0,Pm=void 0,Td=void 0,Tc=void 0,Uc=void 0, -Ks=void 0,Dj=void 0,Ud=void 0,Ej=void 0,Ge=void 0,Fj=void 0,Ls=void 0,Gj=void 0,He=void 0,qI=void 0,nf=void 0,rI=void 0,Ms=void 0,Hj=void 0,of=void 0,Uc=1,Cj=pI,pc=v(I,k,-1,ia.t+1,1);for(pc[1]=pI;;){Ks=!1;for(Tc=1;Tc<=ia.z[Cj];++Tc)if(Hc=ia.G[Cj][Tc],!(Hc==pc[1]||Hc==pc[Uc-1]))if(Fe=WG(ia,Cj,Hc),2==ia.s[Fe]&&5!=ia.i[Fe]){Cj=pc[++Uc]=Hc;Ks=!0;break}if(!Ks)break}if(!(0==Uc%2||2>ia.z[pc[Uc]]||3<ia.z[pc[Uc]])){of=pc[1];Ic=pc[~~((Uc+1)/2)];Td=pc[Uc];nf=He=Ge=Ud=0;Ms=Ls=!1;for(Tc=1;Tc<=ia.z[of];++Tc)Hc= -ia.G[of][Tc],Fe=WG(ia,of,Hc),1!=ia.s[Fe]||5==ia.i[Fe]||(0==Ud?Ud=Hc:Ge=Hc);0<mf[Ge]&&mf[Ud]>mf[Ge]&&(Nm=Ud,Ud=Ge,Ge=Nm);Dj=Ud;0==Ud&&(Dj=Ge,Ls=!0);for(Tc=1;Tc<=ia.z[Td];++Tc)Hc=ia.G[Td][Tc],Fe=WG(ia,Td,Hc),1!=ia.s[Fe]||5==ia.i[Fe]||(0==He?He=Hc:nf=Hc);0<mf[nf]&&mf[He]>mf[nf]&&(Nm=He,He=nf,nf=Nm);Gj=He;0==He&&(Gj=nf,Ms=!0);Ej=jH(ia,WG(ia,of,Ud),of);Fj=jH(ia,WG(ia,of,Ge),of);qI=jH(ia,WG(ia,Td,He),Td);rI=jH(ia,WG(ia,Td,nf),Td);1<(0>Ej+Fj?-(Ej+Fj):Ej+Fj)||0!=qI||0!=rI?tr(ia.n,"Bad stereoinfo on allene !"): -(Om=ia.J[pc[Uc-1]]-ia.J[Td],Pm=ia.M[pc[Uc-1]]-ia.M[Td],Hj=Math.sqrt(Om*Om+Pm*Pm),0.001>Hj&&(Hj=0.001),0<(ia.M[Gj]-ia.M[pc[Uc-1]])*(Om/Hj)-(ia.J[Gj]-ia.J[pc[Uc-1]])*(Pm/Hj)?Sc[Ic]=1:Sc[Ic]=-1,Ls&&(Sc[Ic]*=-1),Ms&&(Sc[Ic]*=-1),Dj==Ud&&0>Ej&&(Sc[Ic]*=-1),Dj==Ge&&0>Fj&&(Sc[Ic]*=-1),mf[Dj]>mf[Gj]&&(Sc[Ic]*=-1))}}else b:{var sb=a,Ya=Ka,Ns=mI,sI=sh,tI=o,uI=n,tM=sM,Qm=Pd,Rm=void 0,Vc=void 0,Os=void 0,th=void 0,za=void 0,uh=void 0,wd=void 0,Ij=void 0,Vd=void 0,Nb=void 0,ea=void 0,ca=void 0,Ie=void 0,Sm=void 0, -Wc=void 0,G=void 0,Tm=void 0,ca=v(I,k,-1,4,1),Sm=v(I,k,-1,4,1),Jj=void 0,Xc=void 0,Um=void 0,Vm=void 0,Ps=void 0,Kj=void 0,Kj=-1;0<Ns[Ya]&&(ca[++Kj]=Ns[Ya]);for(Xc=1;Xc<=tM;++Xc)tI[Xc]==Ya&&(ca[++Kj]=uI[Xc]),uI[Xc]==Ya&&(ca[++Kj]=tI[Xc]);for(Xc=Kj+1;Xc<sb.z[Ya];++Xc){Ps=sb.t+1;Um=1;c:for(;Um<=sb.z[Ya];++Um){Jj=sb.G[Ya][Um];for(Vm=0;Vm<Xc;++Vm)if(Jj==ca[Vm])continue c;sI[Jj]<Ps&&(Ps=sI[Jj],ca[Xc]=Jj)}}0==Ns[Ya]&&0<sb.x[Ya]?(ca[3]=ca[2],ca[2]=ca[1],ca[1]=ca[0],ca[0]=-1):0<sb.x[Ya]&&(ca[3]=ca[2],ca[2]= -ca[1],ca[1]=-1);for(za=Ij=uh=th=Tm=wd=Nb=0;4>za;++za)0>=ca[za]||(Rm=WG(sb,Ya,ca[za]),Sm[za]=jH(sb,Rm,Ya),0<Sm[za]?(++Nb,Tm=ca[za],uh=ca[za]):0>Sm[za]?(++wd,th=ca[za],uh=ca[za]):Ij=ca[za]);Vd=Nb+wd;G=v(I,k,-1,4,1);Wc=0;if(3==sb.z[Ya]){if(1==Nb&&1==wd||3==Vd&&0<Nb&&0<wd){tr(sb.n,"Error in C3H stereospecification !");break b}Ie=ca[0];1==Vd?Ie=uh:2==Vd&&(Ie=Ij);ea=UG(sb,Ya,Ie,ca);G[0]=uh;G[1]=-1;G[2]=ea[2];G[3]=ea[1];0<Nb?Wc=1:Wc=-1}else if(4==sb.z[Ya])if(1==Vd)ea=UG(sb,Ya,uh,ca),G[0]=ea[0],G[1]=ea[3], -G[2]=ea[2],G[3]=ea[1],0<Nb?Wc=1:Wc=-1;else{Ie=ca[0];1<Ij&&(Ie=Ij);1==Nb?Ie=Tm:1==wd&&(Ie=th);ea=UG(sb,Ya,Ie,ca);Vc=v(I,k,-1,4,1);for(za=0;4>za;++za)Rm=WG(sb,Ya,ea[za]),Vc[za]=jH(sb,Rm,Ya);if(4==Vd){if(0==Nb||0==wd){tr(sb.n,"Error in C4 stereospecification !");break b}if(1==Nb||1==wd)G[0]=ea[0],G[1]=ea[3],G[2]=ea[2],G[3]=ea[1],Wc=Vc[0];else{for(za=0;4>za;++za)-1==Vc[za]&&(Vc[za]=0);Vd=2}}else if(3==Vd)if(3==Nb||3==wd)G[0]=ea[0],G[1]=ea[3],G[2]=ea[2],G[3]=ea[1],0<Nb?Wc=-1:Wc=1;else{1==Nb?Nb=Os=1:wd= -Os=-1;for(za=0;4>za;++za)Vc[za]==Os&&(Vc[za]=0);Vd=2}if(2==Vd)if(1==Nb&&1==wd)ea[1]==th?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==th&&(ea[2]=ea[3]),G[0]=Tm,G[1]=th,G[2]=ea[2],G[3]=ea[1],Wc=1;else{if(Vc[0]==Vc[1]||Vc[1]==Vc[2]){tr(sb.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Vc[0]?(G[0]=ea[0],G[1]=ea[2],G[2]=ea[1],G[3]=ea[3]):(G[0]=ea[1],G[1]=ea[3],G[2]=ea[2],G[3]=ea[0]);1<Nb?Wc=1:Wc=-1}}var lb=void 0;ca[0]==G[1]?(lb=G[0],G[0]=G[1],G[1]=lb,lb=G[2],G[2]=G[3],G[3]=lb):ca[0]==G[2]?(lb=G[2],G[2]=G[0], -G[0]=lb,lb=G[1],G[1]=G[3],G[3]=lb):ca[0]==G[3]&&(lb=G[3],G[3]=G[0],G[0]=lb,lb=G[1],G[1]=G[2],G[2]=lb);ca[1]==G[2]?(lb=G[1],G[1]=G[2],G[2]=lb,lb=G[2],G[2]=G[3],G[3]=lb):ca[1]==G[3]&&(lb=G[1],G[1]=G[3],G[3]=lb,lb=G[2],G[2]=G[3],G[3]=lb);G[2]==ca[2]?Qm[Ya]=1:G[2]==ca[3]?Qm[Ya]=-1:tr(sb.n,"Error in stereoprocessing ! - t30");Qm[Ya]*=Wc}}}Va=new CE;i=v(I,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];P[c]&&(Va.b.b+=ua);0<wb[q]&&kH(a,c,wb[c],Va,Od);var vh=w[c],Gb=void 0,Lj=void 0, -wh=void 0,U=void 0,U=Nc,Gb=!1;0!=a.A[c]&&(Gb=!0);0!=Pd[c]&&(Gb=!0);wh=-1;for(Lj=1;Lj<=a.y;++Lj)if(a.q[Lj][0]==c){wh=a.q[Lj][1];break}-1<wh&&(Gb=!0);a.n.Ib&&0<a.e[c]&&(Gb=!0,wh=1);switch(a.c[c]){case 2:U=Ab;break;case 3:vh?U="c":U=Db;break;case 4:vh?(U=yf,0<a.x[c]&&(Gb=!0)):U=dc;break;case 5:vh?U="o":U=kc;break;case 7:vh?(U="p",0<a.x[c]&&(Gb=!0)):U=mc;break;case 8:vh?U=ig:U=zc;break;case 13:vh?U=lg:U=Bc;Gb=!0;break;case 6:U=Ec;Gb=!0;break;case 9:U=Qb;break;case 10:U=Jb;break;case 11:U=Cb;break;case 12:U= -Wb;break;case 1:U=Ub;Gb=!0;break;case 19:U=oc;Gb=!0;break;case 20:U=qc;Gb=!0;break;case 21:U=rc;Gb=!0;break;case 22:U=sc;Gb=!0;break;case 18:Gb=!0,U=a.o[c],(D(U,xa)||D(U,Yc)||D(U,vb))&&(Gb=!1)}Gb&&(U=Oc+U,1==Pd[c]?U+=ub:-1==Pd[c]&&(U+="@@"),1==a.x[c]?U+=Ub:1<a.x[c]&&(U+=Ub+a.x[c]),0!=a.A[c]&&(0<a.A[c]?U+=ya:U+=Ca,1<Mj(a.A[c])&&(U+=Mj(a.A[c]))),-1<wh&&(U+=mb+wh),U+=Qc);jn(Va.b,U);for(B=1;B<=nc;++B)if(o[B]==c||n[B]==c)d=n[B],d==c&&(d=o[B]),i[c]<i[d]&&kH(a,o[B],n[B],Va,Od),9<B&&(Va.b.b+="%"),hn(Va,j+ -(new S(B)).b);Nd[c]&&(Va.b.b+=va)}return Va.b.b} -function lG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)ID(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function mG(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&lG(a,c);0==a.z[d]&&lG(a,d)} -function eH(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=WG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&lG(a,c)}}}function bH(a){var b;b=a.c.length;a.G=at([b,7]);a.z=v(I,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function gH(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(I,k,-1,a.u+1,1);o=v(dH,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[WG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:cH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(dH,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function AF(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=M(L(uE((a.J[b]+a.J[c])/2))),a.N[d]=M(L(uE((a.M[b]+a.M[c])/2)))}function fH(a,b){var c;for(c=1;c<=a.u;++c)XF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function VF(a,b){var c;c=(gF(),yD)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function cH(a,b){return 2==a.s[b]?!0:!1}function XF(a,b,c){var d,e,f,g;g=1;a.b=v(I,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function zG(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=at([b+5,2]),DE(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function wD(a){var b;a.y=0;a.r=0;KG(a);for(b=1;b<=a.t;++b)a.D=b,zG(a);a.D=0} -function kG(a){var b,c;b=v(xF,r,-1,4,1);yF(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function tF(a,b){var c,d,e,f,g,i,h,l;c=v(xF,r,-1,4,1);yF(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;yF(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function IG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function pG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&vE(c,Qc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Ub);g=zj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=Tn(c,d+1);try{a.n.y=DC(i,10)}catch(h){if(h=Gi(h),y(h,119))a.n.y=0;else throw h;}a.D=b;zG(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Db)?3:D(d,Ab)?2:D(d,dc)?4:D(d,kc)?5:D(d,mc)?7:D(d,zc)?8:D(d,Qb)?9:D(d,Jb)?10:D(d,Cb)?11:D(d,Wb)?12:D(d,Ub)?1:D(d,Bc)?13:D(d,Ec)?6:D(d,oc)?19:D(d,qc)?20:D(d,rc)?21:D(d,sc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=dE(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=dE(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=dE(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=dE(c,g++);for(;45==e;)--d,e=dE(c,g++)}a.A[b]=d}}} -function BD(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new XC(b);try{for(;b.k=QC(b,b.b),b.k<b.j;)d=qE(DC(TC(b),10)).b,c=e=qE(DC(TC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Gi(f),y(f,119))fn(f);else throw f;}}function kH(a,b,c,d,e){b=WG(a,b,c);5!=a.i[b]&&cH(a,b)?d.b.b+=qb:3==a.s[b]?d.b.b+=ma:9==a.s[b]?(e=tb,a=a.f[b],null!=a&&(e=a),jn(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Pc)} -function AG(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,tr(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:tr(a.n,"Stereomarking allowed only on single and double bonds!")} -function iH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=WG(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=WG(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=WG(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=WG(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))tr(a.n,"Not unique E/Z geometry !");else{i=WG(a,b,e);f=WG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=WG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function aH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=WG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(cH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function jH(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function nG(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=aH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function BF(a){TG(this);this.n=a;this.y=this.u=this.t=0} -function 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VC(f);TC(g);TC(g);i=qE(DC(TC(g),10)).b; -for(e=1;e<=i;++e)c=qE(DC(TC(g),10)).b,this.A[c]=qE(DC(TC(g),10)).b}if(0==f.indexOf("M APO")){g=new VC(f);TC(g);TC(g);i=qE(DC(TC(g),10)).b;for(e=1;e<=i;++e)c=qE(DC(TC(g),10)).b,f=qE(DC(TC(g),10)).b,this.D=c,$(this,0),pG(this,this.t,oc+f),this.D=0}}eH(this);RD(this)}} -function QD(a,b){var c,d,e,f,g;BF.call(this,a);0==b.indexOf(ga)&&(b=b.substr(1,b.length-1));vE(b,ga)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new VC(b);d=qE(DC(TC(f),10)).b;e=qE(DC(TC(f),10)).b;for(c=1;c<=d;++c)g=TC(f),BG(this),pG(this,this.t,g),this.J[c]=(new pE(mE(TC(f)))).b,this.M[c]=-(new pE(mE(TC(f)))).b;for(c=1;c<=e;++c)if(GG(this),this.H[c]=qE(DC(TC(f),10)).b,this.I[c]=qE(DC(TC(f),10)).b,this.s[c]=qE(DC(TC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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113:X(b,PA);c=a.Y-8;e=g+~~((a.Y-c)/2);d=f+~~((a.Y-c)/2);qB(b,e,d,c,c);X(b,JA);LF(a, -b,g,f,EA,"i");break;case 201:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)+2);Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)-2);Z(b,g+a.Y-c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)-2);break;case 202:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));break;case 203:Z(b,g+c,f+~~(a.Y/2)-2,g+a.Y-c,f+~~(a.Y/2)-2);Z(b,g+c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)+2);break;case 204:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Z(b,g+c,f+~~(a.Y/2)-3,g+a.Y-c,f+~~(a.Y/2)-3);Z(b,g+c,f+~~(a.Y/2)+3,g+a.Y-c,f+~~(a.Y/2)+3);break;case 205:Z(b,g+~~(c/2),f+ -2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Z(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Z(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:MF(a,b,g,f+2,3);break;case 207:MF(a,b,g,f,4);break;case 208:MF(a,b,g,f,5);break;case 209:MF(a,b,g,f,1);break;case 210:MF(a,b,g,f,6);break;case 211:MF(a,b,g,f,7);break;case 212:MF(a,b,g,f,8);break;case 213:KF(a,b,g,f,"FG"),a.F=new FB(g,f)}else c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e? -c=12:1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=zD[c]&&LF(a,b,g,f,yD[c],zD[c])}function NF(a){var b,c,d;a.jb&&(null==a.J&&(a.J=j),d=a.I.b,c=a.C.c-a.Y,b=a.Y,X(d,ID),qB(d,0,0,c,b),a.nb?(X(d,(DA(),IA)),EF(d,-1,0,c,b-1)):(X(d,jF),Z(d,0,0,c-1-2,0),X(d,RA(ID)),Z(d,0,b-1,c-1,b-1),Z(d,c-1,0,c-1,b-1)),OF(d,a.X),X(d,(DA(),JA)),-1!=a.J.toLowerCase().indexOf(fe)&&X(d,KA),PF(d,a.J,10,15),QF(a.Ob,a.I,a.Y,a.C.b-a.Y))} -function RF(a){var b,c,d,e;if(a.kb){d=a.Q.b;c=a.Y;b=a.C.b-2*a.Y-a.S;X(d,ID);qB(d,0,0,c,b);a.nb?(X(d,(DA(),IA)),Z(d,0,b-1,c,b-1),e=uD*(a.Y+a.S)+2,Z(d,0,e,c,e),Z(d,0,e,0,b),Z(d,a.Y-1,e,a.Y-1,b-a.Y)):(X(d,jF),Z(d,0,0,0,b-1),Z(d,0,uD*a.Y,b-1,uD*a.Y),X(d,RA(ID)),Z(d,c-1,0,c-1,b-1-a.Y),Z(d,0,b-1,c-1,b-1));for(b=3;b<=uD+2;++b)DF(a,d,1,b);QF(a.Ob,a.Q,0,2*a.Y+a.S)}} -function SF(a){var b,c,d,e;if(a.lb){e=a.cb.b;c=a.C.c-a.Y;b=a.C.b-3*a.Y-a.S;X(e,a.t);qB(e,0,0,c,b);d=a.db?(MB(),PB):(MB(),RB);if((MB(),NB)==(MB(),NB))d==PB?e.b=j:e.b=rg;d=new bA(a.eb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ha);for(d=1;d<=a.tb;++d){var f=a.fb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,H=w=o=m=void 0,B=n=void 0,K=m=q=o=i=void 0,P=m=i=void 0,Y=h=o=h=void 0,da=w=B=void 0,N=da=q=n=l=B=m=q=H=K=n=void 0,N=h=n=o=o=K=N=Y=i=P=P=H=Y=n=n=P=Y=void 0,w=B=1,l= -2,da=3;f.w&&(AF(f),xF(f.n,1,f.n.tb,0),f.w=!1);1!=f.n.B&&(l*=f.n.B,da*=f.n.B,i=1,0.7>f.n.B&&(i=1.2),i=J(13*f.n.B*i),f.n.k=new dB(Vb,0,i),f.n.n=new TB((gq(),f.n.k)));f.n.A&&(X(g,(DA(),JA)),EF(g,0,0,f.n.C.c-1,f.n.C.b-1));if(0!=f.t){if(-1==f.k){m=M(L(Math.round(12*l)));for(i=1;i<=f.t;++i)0<f.e[i]&&7>f.e[i]&&(X(g,(hF(),lF)[f.e[i]]),h=g,o=J(f.J[i]-m/2),P=J(f.M[i]-m/2),Y=N=m,FF(h,!0),GF(h,HF(h,o,P,N,Y)));for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],0!=f.e[h]&&f.e[h]==f.e[m]&&(X(g,(hF(),lF)[f.e[h]]),n=f.J[m]-f.J[h], -B=f.M[m]-f.M[h],w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w,q=3*da*B,n=3*da*w,P=v(I,k,-1,4,1),o=v(I,k,-1,4,1),P[0]=J(f.J[h]+q),o[0]=J(f.M[h]-n),P[1]=J(f.J[m]+q),o[1]=J(f.M[m]-n),P[2]=J(f.J[m]-q),o[2]=J(f.M[m]+n),P[3]=J(f.J[h]-q),o[3]=J(f.M[h]+n),m=g,h=P,FF(m,!0),GF(m,TF(m,h,o,4,!0)))}for(i=1;i<=f.u;++i){X(g,(DA(),JA));h=f.H[i];m=f.I[i];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[m]&&X(g,(hF(),lF)[f.e[h]]);if(3==f.B[i]||4==f.B[i])o=h,h=m,m=o;Y=f.J[h];N=f.M[h];P=f.J[m];o=f.M[m];if(1!=f.s[i]||0!=f.B[i])n=P-Y,B=o- -N,w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w;switch(f.s[i]){case 2:10<=f.B[i]&&X(g,NA);q=l*B;n=l*w;Z(g,M(L(Math.round(Y+q))),M(L(Math.round(N-n))),M(L(Math.round(P+q))),M(L(Math.round(o-n))));Z(g,M(L(Math.round(Y-q))),M(L(Math.round(N+n))),M(L(Math.round(P-q))),M(L(Math.round(o+n))));X(g,JA);break;case 3:m=M(L(Math.round(Y)));h=M(L(Math.round(N)));P=M(L(Math.round(P)));o=M(L(Math.round(o)));Z(g,m,h,P,o);Y=M(L(Math.round(da*B)));N=M(L(Math.round(da*w)));Z(g,m+Y,h-N,P+Y,o-N);Z(g,m-Y,h+N,P-Y,o+N);break; -case 9:case 0:for(h=0;10>h;++h)H=Y-(Y-P)/10*h,K=N-(N-o)/10*h,Z(g,M(L(Math.round(H))),M(L(Math.round(K))),M(L(Math.round(H))),M(L(Math.round(K))));OF(g,f.n.k);m=UF(f.n.n);n=f.f[i];h=tb;null!=n&&(h=n);n=UB(f.n.n,h);Y=M(L(Math.round((Y+P)/2-n/2)));n=M(L(Math.round((N+o)/2+~~(m/2)-1)));X(g,NA);PF(g,h,Y,n);X(g,JA);break;default:if(1==f.B[i]||3==f.B[i])q=da*B,n=da*w,K=v(I,k,-1,3,1),H=v(I,k,-1,3,1),K[0]=M(L(Math.round(P+q))),H[0]=M(L(Math.round(o-n))),K[1]=M(L(Math.round(Y))),H[1]=M(L(Math.round(N))),K[2]= -M(L(Math.round(P-q))),H[2]=M(L(Math.round(o+n))),m=g,h=K,o=H,FF(m,!0),GF(m,TF(m,h,o,3,!0));else if(2==f.B[i]||4==f.B[i]){q=da*B;n=da*w;for(h=0;10>h;++h)H=Y-(Y-P)/10*h,K=N-(N-o)/10*h,m=h/10,Z(g,M(L(Math.round(H+q*m))),M(L(Math.round(K-n*m))),M(L(Math.round(H-q*m))),M(L(Math.round(K+n*m))))}else Z(g,M(L(Math.round(Y))),M(L(Math.round(N))),M(L(Math.round(P))),M(L(Math.round(o))))}}w=v(yF,r,-1,f.t+1,1);B=v(I,k,-1,f.t+1,1);for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],l=f.J[h],o=f.J[m],++B[h],++B[m],w[h]=w[h]/ -B[h]+o/B[h],w[m]=w[m]/B[m]+l/B[m];OF(g,f.n.k);m=UF(f.n.n);N=v(mt,r,1,f.t+1,0);P=v(I,k,-1,f.t+1,1);o=v(I,k,-1,f.t+1,1);l=v(VF,r,98,f.t+1,0);for(i=1;i<=f.t;++i)h=WF(f,i),(null==h||1>h.length)&&(h=xa),3==f.c[i]&&0<f.z[i]&&0==f.A[i]?(N[i]=h,P[i]=o[i]=UB(f.n.n,h),l[i]=XF(f,i,P[i],P[i],m,!1)):(Y=w[i]<f.J[i],H=!0,1<B[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/3&&(H=!1),2<B[i]&&(H=!1),1==B[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/10&&(Y=!0),n=h,K=j,f.n.Fb&&0<f.x[i]&&(K+=Ub, -1<f.x[i]&&(K+=f.x[i])),q=j,0!=f.A[i]&&(1<Bj(f.A[i])&&(q+=Bj(f.A[i])),0<f.A[i]?q+=ya:q+=Ca),Y||!H?h=h+K+q+j:h=q+K+j+h,H||(n=h),N[i]=h,n=UB(f.n.n,n),q=UB(f.n.n,h),P[i]=n,o[i]=q,q=l[i]=XF(f,i,n,q,m,Y),Y=q.d+2+1,n=q.e+m+2,X(g,f.n.t),-1==f.k&&0!=f.e[i]&&X(g,(hF(),lF)[f.e[i]]),qB(g,q.d,q.e,q.c,q.b),1==f.k?0!=f.e[i]?X(g,(hF(),lF)[f.e[i]]):X(g,(DA(),JA)):X(g,(hF(),yD)[f.c[i]]),PF(g,h,Y,n));for(h=1;h<=f.y;++h)i=f.q[h][0],n=P[i],q=o[i],Y=M(L(vE(f.J[i]-n/2))),n=M(L(vE(f.M[i]+~~(m/2)-1))),X(g,(DA(),NA)),PF(g, -ba+f.q[h][1],Y+q,n);if(0<f.D||0<f.E)if(X(g,104==f.n.c?(DA(),KA):(DA(),PA)),0<f.D&&106!=f.n.c&&(q=l[f.D],EF(g,q.d,q.e,q.c,q.b)),0<f.E&&(h=f.H[f.E],m=f.I[f.E],n=f.J[m]-f.J[h],B=f.M[m]-f.M[h],w=Math.sqrt(n*n+B*B),1>w&&(w=1),B/=w,w=n/w,q=(da+1)*B,n=(da+1)*w,K=v(I,k,-1,5,1),H=v(I,k,-1,5,1),K[0]=M(L(vE(f.J[h]+q))),K[1]=M(L(vE(f.J[m]+q))),H[0]=M(L(vE(f.M[h]-n))),H[1]=M(L(vE(f.M[m]-n))),K[3]=M(L(vE(f.J[h]-q))),K[2]=M(L(vE(f.J[m]-q))),H[3]=M(L(vE(f.M[h]+n))),H[2]=M(L(vE(f.M[m]+n))),K[4]=K[0],H[4]=H[0],106!= -f.n.c&&(da=g,i=K,B=H,da.o&&(FF(da,!1),GF(da,TF(da,i,B,5,!0)))),106==f.n.c&&YF(f,f.H[f.E],f.I[f.E]))){da=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++da;if(da>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;X(g,(DA(),KA));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],EF(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(X(e,(DA(),IA)),Z(e,c-1,0,c-1,b-1)):(X(e,RA(ID)),Z(e,c-1,0,c-1,b-1),X(e,ID),Z(e,c-2,0,c-2,b-1),X(e,jF),Z(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),X(e,(DA(),NA)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new dB(Vb,0,13),a.W=new TB(a.T),null!=a.bb&&(d=UB(a.W,a.bb),c=M(L(Math.round((c-d)/2))),b-=13,X(e,(DA(),JA)),OF(e,a.T),PF(e,a.bb,c,b)));QF(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function MF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(I,k,-1,9,1);l=v(I,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+a*Math.sin(i)),l[f]=J(d+a*Math.cos(i));f=e+1;b.o&&(FF(b,!1),GF(b,TF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=J(c+(a-3)*Math.sin(i)),l[f]=J(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function ZF(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,ID);qB(d,0,0,b,c);a.nb?(X(d,(DA(),IA)),c=13*(a.Y+a.S),EF(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,RA(ID)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,jF),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)DF(a,d,b,1),DF(a,d,b,2);a.c=c;QF(a.Ob,a.Lb,0,0)}} -function JF(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);IF(a,b,c+m-i,f,d-4-i-1,e,h)} -function $F(a,b){var c,d,e,f,g,i,h;ND(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=aG(b);h=new XC(b,g,!0);d=j;for(c=1;5>=c;++c)d=bG(h,g);c=rE(EC(Tn(d.substr(0,3)),10)).b;f=rE(EC(Tn(d.substr(3,3)),10)).b;bG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=bG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new cG(a,e)}xF(a,1,c,1);xF(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new cG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",hD(a),!1;null!=a.i&&a.Z&&CD(a.Z,a.i,!0);null!=a.j&& -a.Z&&CD(a.Z,a.j,!1);g=dG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new eG(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];xF(a,1,g,0)}hD(a);return!0} -function fG(a,b){var c,d,e,f,g,i,h,l;ND(a);c=f=0;l=new XC(b,"|>",!0);e=-1<b.indexOf(rb);i=1;g=QC(l);a.tb=0;for(d=1;d<=g;++d)if(h=UC(l),Tn(h),!D(h,bh))if(D(h,rb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new RD(a,h);if(0==a.Z.t)return TD(a,"ERROR - problems in reading/processing molecule !"),qC(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return TD(a,"ERROR - strange reaction - fixing !"),qC(),!1;if(3<i)return TD(a,"ERROR - strange reaction !"),qC(),!1;1<a.tb&&!e&&wD(a,yf);e&&!a.Bb&&wD(a,Zf);!e&&a.Bb&& -wD(a,Cf);e?(xF(a,1,f,1),xF(a,f+1,c-1,2),xF(a,c,a.tb,3)):xF(a,1,a.tb,0);hD(a);return!0}function ur(a,b){a.jb=!0;a.J=b} -function yr(a,b){var c,d;if(0==b)return!1;vF(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:JD(a);d=a.$;d.b=d.c;d.c.d=null;gG(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;hG(a,eF(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new Fv("Cannot redo. Index is out of range."); -if(!d.b.d)throw new Fv(Yb);d.b=d.b.d;hG(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=vu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=gc):(ur(a,cc+(a.Db.b+1)+fa+a.Db.d),d=xE(d),DD(a,d,!1),null!=a.rb&&ZC(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=vu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=gc):(ur(a,cc+(a.Db.b+1)+fa+a.Db.d),d=xE(d),DD(a,d,!1),null!=a.rb&&ZC(a.rb,null));break;case 101:a.Gb&&ZE(a.Gb);a.Gb=new iG(1,a);a.c=c;break;case 107:!a.zb?a.zb=new jG(a):a.zb.ac.d.hb?kG(a.zb.ac.d): -GD(a.zb);break;case 113:a.b&&ZE(a.b);a.b=new iG(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,xD(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=lG(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(yF,r,-1,4,1);zF(a.Z,d);a.lb=!0;a.Z=new oF(a.Z);d=J(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;SD(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,mG(a.Z,a.Z.D),a.Z.D=0,wF(a)):0<a.Z.E&&(a.lb=!0,nG(a.Z,a.Z.E), -a.Z.E=0,wF(a));oG(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new JB;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new CB(c),IB(i,g),g.d=c,Xz(g.e,a);Vy(a,i);a.E=i}pG(a.E.b,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(ZE(a.o),a.o=null);0==a.Z.D&&(a.o=new iG(2,a));a.d= -18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,wF(a)),18==a.d&&(d=Xn((vr(),wr).ac.b.pb,Ug),qG(a.Z,a.Z.D,d),wF(a)),oG(a.Z))}hD(a);return!0} -function Rq(a){var b,c,d;d=UD(a);c=j;if(a.Bb){var e,f,g;g=bt([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)lG(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(rG(g[1][0],3)+rG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+sG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+sG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new tG(a,a.fb,a.tb)),c=sG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function uG(a,b,c,d){var e;e=c;var f=d,g,i;(g=vG(b),i=0!=(b.f&2),g||i)?(g=a.Bb?(!a.w&&(a.w=tD(a,!0)),a.w):(!a.v&&(a.v=tD(a,!1)),a.v),pG(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=wG(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;13>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=uD+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",hD(a),!0; -if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=yr(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)mG(a.Z,a.Z.D),a.Z.D=0,wF(a);else{if(106==a.c)return!0;if(108==a.c)xG(a.Z,a.Z.D,0),wF(a);else if(157==a.c)xG(a.Z,a.Z.D,1),wF(a);else if(158==a.c)xG(a.Z,a.Z.D,-1),wF(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):wF(a);else if(206<= -a.c&&229>=a.c)a.O=2,yG(a.Z),wF(a);else if(230==a.c)a.O=3,wF(a);else if(233<=a.c&&262>a.c)zG(a.Z,!1),wF(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;qG(a.Z,a.Z.D,Xn(a.zb.f.ac.b.pb,Ug));wF(a)}else if(105==a.c)AG(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=Xn((vr(),wr).ac.b.pb,Ug),1>d.length&&(d=Nc),qG(a.Z,a.Z.D,d)),wF(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,yG(a.Z),wF(a);else if(0<a.Z.E)if(104==a.c)nG(a.Z,a.Z.E),a.Z.E= -0,wF(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])ur(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;mG(d,c);d.b[c]=0}a.Z.E=0;wF(a)}else if(201==a.c)BG(a.Z,a.Z.E),wF(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),wF(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,wF(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,wF(a);else if(206<= -a.c&&229>=a.c)a.O=2,yG(a.Z),wF(a);else if(107==a.c){if(!a.zb.c)return!0;d=Xn(a.zb.f.ac.b.pb,Ug);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;wF(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new CF(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(CG(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c? -(a.Z.L=c,a.Z.O=d,a.O=2,yG(a.Z)):300<a.c?(CG(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=Xn((vr(),wr).ac.b.pb,Ug),1>d.length&&(d=Nc),qG(a.Z,1,d))):230==a.c?BD(a,null):233<=a.c&&262>a.c?(CG(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,zG(a.Z,!0)):qC();wF(a)}else e=!1;e&&(oG(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,hD(a))}return e} -function DG(a,b,c,d){var e,f;if(a.z||!a.hb||vG(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=EG(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else 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Use Page Up/Down for SDF access ("+c+va);try{$F(a.b,b)?(ur(a.b,"Structure pasted"+d),wF(a.b)):(GD(new HD(a.b.J,a.b,ID)),ND(a.b)),Rz(a.b)}catch(h){if(h=Hi(h),y(h,119))d=a.b,d.jb=!0,d.J="ERROR - invalid MOL ",hD(d),GD(new HD(a.b.J,a.b,ID)),Rz(a.b);else throw h; -}}}function rr(a){this.b=a}s(536,1,{},rr);_.b=null;function qF(){qF=u;rF=new RG("COPY_SMILES",0);sF=new RG("COPY_MOL",1);tF=new RG("PASTE",2);SG=F(TG,r,134,[rF,sF,tF])}function RG(a,b){E.call(this,a,b)}s(537,139,{113:1,116:1,118:1,134:1},RG);var SG,sF,rF,tF;function MG(){this.e=v(OG,r,135,99,0)}s(538,1,{},MG);_.b=0;_.c=1;_.d=0;_.f=!1;_.i=0;_.j=!1; -function UG(a){a.c=v(I,k,-1,20,1);a.A=v(I,k,-1,20,1);a.J=v(yF,r,-1,20,1);a.M=v(yF,r,-1,20,1);a.G=bt([20,7]);a.e=v(I,k,-1,20,1);a.d=v(mt,r,1,20,0);a.o=v(mt,r,1,20,0);a.x=v(I,k,-1,20,1);a.z=v(I,k,-1,20,1);a.H=v(I,k,-1,20,1);a.I=v(I,k,-1,20,1);a.s=v(I,k,-1,20,1);a.B=v(I,k,-1,20,1);a.K=v(I,k,-1,20,1);a.N=v(I,k,-1,20,1);a.f=v(mt,r,1,20,0);a.q=bt([10,2]);a.j=v(I,k,-1,101,1)} -function VG(a,b,c,d){var e,f,g,i,h,l,m,o,n;h=v(I,k,-1,4,1);f=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(f*f+g*g);0.001>m&&(m=0.001);n=g/m;e=f/m;l=v(I,k,-1,4,1);for(i=0;4>i;++i)d[i]==c||0>=d[i]||(0==l[1]?l[1]=d[i]:0==l[2]?l[2]=d[i]:0==l[3]&&(l[3]=d[i]));o=v(yF,r,-1,4,1);d=v(yF,r,-1,4,1);for(i=1;3>=i;++i)3==i&&0==l[3]||(f=(a.J[l[i]]-a.J[b])*e+(a.M[l[i]]-a.M[b])*n,g=(a.M[l[i]]-a.M[b])*e-(a.J[l[i]]-a.J[b])*n,m=Math.sqrt(f*f+g*g),0.001>m&&(m=0.001),o[i]=g/m,d[i]=f/m);a=WG(o[1],d[1],o[2],d[2]);0<l[3]?(b= -WG(o[2],d[2],o[3],d[3]),d=WG(o[1],d[1],o[3],d[3]),0<a&&0<b?(h[1]=l[1],h[2]=l[2],h[3]=l[3]):0<d&&0>b?(h[1]=l[1],h[2]=l[3],h[3]=l[2]):0>a&&0<d?(h[1]=l[2],h[2]=l[1],h[3]=l[3]):0<b&&0>d?(h[1]=l[2],h[2]=l[3],h[3]=l[1]):0>d&&0<a?(h[1]=l[3],h[2]=l[1],h[3]=l[2]):0>b&&0>a&&(h[1]=l[3],h[2]=l[2],h[3]=l[1])):0<a?(h[1]=l[1],h[2]=l[2]):(h[1]=l[2],h[2]=l[1]);h[0]=c;return h} -function $(a,b){var c,d,e,f,g,i,h,l;CG(a);switch(a.z[a.D]){case 0:a.J[a.t]=a.J[a.D]+21.65*a.n.B;a.M[a.t]=a.M[a.D]+12.5*a.n.B;break;case 1:c=a.G[a.D][1];d=0;2==a.z[c]&&(a.G[c][1]==a.D?d=a.G[c][2]:d=a.G[c][1]);e=a.J[a.D]-a.J[c];f=a.M[a.D]-a.M[c];i=Math.sqrt(e*e+f*f);0.001>i&&(i=0.001);f/=i;e/=i;h=i+25*a.n.B*Math.cos(1.0471975511965976);l=25*a.n.B*Math.sin(1.0471975511965976);g=XG(a,a.D,c);if(3==a.s[g]||204==a.n.c||1!=a.s[g]&&(203==a.n.c||204==a.n.c)||a.p)h=i+25*a.n.B,l=0;0<d&&0<(a.M[d]-a.M[c])*e-(a.J[d]- -a.J[c])*f&&(l=-l);0<b&&0>l?l=-l:0>b&&0<l&&(l=-l);a.J[a.t]=a.J[c]+h*e-l*f;a.M[a.t]=a.M[c]+l*e+h*f;break;case 2:c=v(yF,r,-1,2,1);YG(a,a.D,25*a.n.B,c);a.J[a.t]=c[0];a.M[a.t]=c[1];break;case 3:case 4:case 5:for(g=1;g<=a.z[a.D]&&!(c=a.G[a.D][g],e=a.J[a.D]-a.J[c],f=a.M[a.D]-a.M[c],i=Math.sqrt(e*e+f*f),0.001>i&&(i=0.001),a.J[a.t]=a.J[a.D]+25*a.n.B*e/i,a.M[a.t]=a.M[a.D]+25*a.n.B*f/i,0==EG(a,a.t)||g==a.z[a.D]);++g);break;default:--a.t;ur(a.n,"Are you trying to draw an hedgehog ?");a.n.O=9;return}a.z[a.t]= -1;++a.z[a.D];HG(a);a.s[a.u]=1;203==a.n.c&&(a.s[a.u]=2);204==a.n.c&&(a.s[a.u]=3);a.H[a.u]=a.D;a.I[a.u]=a.t;201==a.n.c&&BG(a,a.u);a.G[a.t][1]=a.D;a.G[a.D][a.z[a.D]]=a.t;a.K[a.u]=M(L(vE((a.J[a.D]+a.J[a.t])/2)));a.N[a.u]=M(L(vE((a.M[a.D]+a.M[a.t])/2)));a.L=a.J[a.t];a.O=a.M[a.t]} -function zG(a,b){var c;a.F=a.D;c=0;if(233==a.n.c||237==a.n.c||236==a.n.c||239==a.n.c||251==a.n.c||252==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.p=!1,a.D=a.t-1,$(a,0),a.D=a.t-2,$(a,0),237==a.n.c&&(a.c[a.t]=10,a.c[a.t-1]=10,a.c[a.t-2]=10),236==a.n.c&&(a.c[a.t]=9,a.c[a.t-1]=9,a.c[a.t-2]=9),239==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=5,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),252==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=4,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),251==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t- -2]=5,a.c[a.t-3]=7,a.s[a.u]=2),c=4;else if(244==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.c[a.t]=8,a.D=a.t,a.p=!0,$(a,0),a.p=!1,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-2,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=5;else if(234==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,a.n.wb&&xG(a,a.D,1),$(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.n.wb?(a.s[a.u]=1,xG(a,a.t,-1)):a.s[a.u]=2,c=3;else if(235==a.n.c)$(a,0),a.D=a.t,$(a,0),a.c[a.t]=5,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(240==a.n.c)$(a,0),a.D= -a.t,$(a,0),a.c[a.t]=5,a.D=a.t,$(a,0),a.D=a.t-2,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)$(a,0),a.D=a.t,$(a,0),a.c[a.t]=4,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)$(a,0),a.c[a.t]=5,a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.D=a.t-1,$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=4;else if(243==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.D=a.t-1,$(a,0),c=3;else if(238==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.s[a.u]= -3,a.p=!1,c=2;else if(249==a.n.c)$(a,0),a.D=a.t,$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=2;else if(250==a.n.c)$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=1;else if(245==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.D=a.t,a.s[a.u]=3,$(a,0),a.p=!1,c=3;else if(242==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.s[a.u]=3,a.c[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)$(a,0),a.c[a.t]=9,c=1;else if(255==a.n.c)$(a,0),a.c[a.t]=10,c=1;else if(256==a.n.c)$(a,0),a.c[a.t]=11,c=1;else if(257==a.n.c)$(a,0),a.c[a.t]=12,c=1;else if(258==a.n.c)$(a,0),a.c[a.t]=4, -c=1;else if(259==a.n.c)$(a,0),a.c[a.t]=5,c=1;else if(246==a.n.c)$(a,0),a.D=a.t,$(a,0),c=2;else if(247==a.n.c)$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),c=3;else if(248==a.n.c)$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),c=4;else if(253==a.n.c){var d,e,f,g,i,h,l,m,o,n,q;if(a.n.Kb){c=0;m=a.n.Kb;for(l=1;l<=m.y;++l)d=m.q[l][0],1==m.q[l][1]&&(c=d);d=a.t;l=a.D;$(a,0);e=a.J[a.t];g=a.M[a.t];mG(a,a.t);e=a.J[l]-e;g=a.M[l]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=m.t;++h)CG(a),a.c[a.t]=m.c[h],a.A[a.t]=m.A[h], -a.x[a.t]=m.x[h],a.J[a.t]=m.J[h],a.M[a.t]=m.M[h];for(h=1;h<=m.u;++h)HG(a),a.H[a.u]=m.H[h]+d,a.I[a.u]=m.I[h]+d,a.s[a.u]=m.s[h];SD(a);a.D=c+d;$(a,0);m=a.J[a.t];n=a.M[a.t];mG(a,a.t);f=a.J[c+d]-m;i=a.M[c+d]-n;h=Math.sqrt(f*f+i*i);i/=h;f/=h;for(h=d+1;h<=a.t;++h)a.J[h]-=m,a.M[h]-=n,o=a.J[h]*f+a.M[h]*i,q=a.M[h]*f-a.J[h]*i,a.J[h]=o,a.M[h]=q,o=-a.J[h]*e+a.M[h]*g,q=-a.M[h]*e-a.J[h]*g,a.J[h]=o,a.M[h]=q,a.J[h]+=a.J[l],a.M[h]+=a.M[l];HG(a);a.H[a.u]=l;a.I[a.u]=c+d;SD(a);b&&(mG(a,l),AF(a))}c=4}ZG(a,c);a.D=a.F;b&& -(a.D=0)} -function YG(a,b,c,d){var e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+ -c*g/h,d[1]=a.M[b]+c*i/h)} -function yG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])$G(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,$(a,0),a.D=a.t,$G(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){ur(a.n,"ERROR - cannot add aromatic spiro ring !");a.n.O=9; -return}for(d=1;d<=a.z[a.D];++d)if(b=a.s[XG(a,a.D,a.G[a.D][d])],2<d||1!=b){ur(a.n,"ERROR - spiro ring not possible here !");a.n.O=9;return}b=v(yF,r,-1,2,1);YG(a,a.D,h,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)CG(a),o=f*d+1.5707963267948966,a.J[a.t]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*g)}else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!= -b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)CG(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)CG(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)HG(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[XG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[XG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(I,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=M(L(vE((a.J[b]+a.J[e])/2))),a.N[c]=M(L(vE((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;HG(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=M(L(vE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=M(L(vE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(HG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=M(L(vE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=M(L(vE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(HG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=M(L(vE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=M(L(vE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(mG(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&ZG(a,i);-1<l&&(a.D=l)} -function $G(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)CG(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function ZG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=EG(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function XG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function aH(a,b,c){var d,e,f,g;e=dh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Ot(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Ot(c[d])&&!Ct(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)It(c[d],e)&&(b[d]=g,c[d]=dh,++f);if(f==a.t)break}return g==a.t} -function AF(a){var b,c,d;b=v(yF,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{zF(a,b);c=~~(c/2)-M(L(Math.round(b[0])));d=~~(d/2)-M(L(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;BF(a)}} -function zF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function xG(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=bH(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&ur(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?ur(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?ur(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?ur(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:ur(a.n,"Charge change not possible on the halogen !");break;case 18:ur(a.n, -"Use X button to change charge on the X atom !")}} -function dG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(I,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(I,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&mG(a,c);AF(a);ur(a.n,"Smaller part(s) removed !");return 1} -function EG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function IG(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];oG(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),oG(a));4==a.s[d]&&(a.s[d]=1)}} -function WG(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 SD(a){var b;cH(a);b=a.s.length;a.K=v(I,k,-1,b,1);a.N=v(I,k,-1,b,1);BF(a);oG(a)} -function CG(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(I,k,-1,c,1),EE(a.c,b,a.c.length),a.c=b,b=v(I,k,-1,c,1),EE(a.A,b,a.A.length),a.A=b,b=v(I,k,-1,c,1),EE(a.x,b,a.x.length),a.x=b,b=v(I,k,-1,c,1),EE(a.e,b,a.e.length),a.e=b,b=v(mt,r,1,c,0),EE(a.d,b,a.d.length),a.d=b,b=v(mt,r,1,c,0),EE(a.o,b,a.o.length),a.o=b,b=v(yF,r,-1,c,1),EE(a.J,b,a.J.length),a.J=b,b=v(yF,r,-1,c,1),EE(a.M,b,a.M.length),a.M=b,b=bt([c,7]),EE(a.G,b,a.G.length),a.G=b,c=v(I,k,-1,c,1),EE(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function XF(a,b,c,d,e,f){var g;g=M(L(vE(a.J[b]-c/2)));f||(g-=d-c);a=M(L(vE(a.M[b]-~~(e/2))));return new Ez(g-1-2,a-2,d+1+4,e+4)} -function HG(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(I,k,-1,b,1),EE(a.H,c,a.H.length),a.H=c,c=v(I,k,-1,b,1),EE(a.I,c,a.I.length),a.I=c,c=v(I,k,-1,b,1),EE(a.s,c,a.s.length),a.s=c,c=v(I,k,-1,b,1),EE(a.B,c,a.B.length),a.B=c,c=v(I,k,-1,b,1),EE(a.K,c,a.K.length),a.K=c,c=v(I,k,-1,b,1),EE(a.N,c,a.N.length),a.N=c,b=v(mt,r,1,b,0),EE(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function sG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(hF(),aa);i+="JME 2013-04-10 "+new SE+"\n \n";i+=rG(a.t,3)+rG(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=KG(0.055999999999999994*(a.J[e]-c),10,4)+KG(0.055999999999999994*(g-a.M[e]),10,4)+KG(0,10,4);h=WF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+rG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=rG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:dH(a,e)&&(g=2),c=rG(a.H[e],3)+rG(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=rG(a.I[e],3)+rG(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=rG(a.I[e],3)+rG(a.H[e],3)),i+=c+rG(g,3)+rG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+rG(e,4)+rG(a.A[e],4)+aa);return i+"M END\n"} -function LG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,H,B,K,P,Y,da,N,oc,Dc,bg,xb,Od,Pd,Qd,Va,Ec;o=v(I,k,-1,a.t+10,1);n=v(I,k,-1,a.t+10,1);l=v(I,k,-1,a.t+1,1);m=v(I,k,-1,7,1);xb=v(I,k,-1,a.t+1,1);w=v(eH,r,-1,a.t+1,2);H=v(eH,r,-1,a.u+1,2);oc=0;if(0==a.t)return j;dG(a,!0);bg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){bg=!1;break}if(a.n.s&&bg){fH(a);IG(a);gH(a,H);hH(a,w,H);var Gb,td,ef,bc,ze,ud,vd,eb,lI,Td,t,wa,Im,Jm,Es,mf,Ma,Km,Lm,Hc,Mm;Gb=v(I,k,-1,a.t+1,1);td=v(I,k,-1,a.t+1,1);eb=v(iH,r,-1,a.t+1,3);var Fs=a.t,Nm, -th,Gs,ng,Cj,Fe,nf;Cj=v(iH,r,-1,Fs+2,3);Fe=v(I,k,-1,100,1);nf=5;ng=0;Fe[0]=3;Cj[1]=fh;Cj[2]=gh;Gs=2;if(!(3>Fs))for(;nf<Fe[ng]*Fe[ng];){th=0;for(Nm=!0;Nm&&th<=ng&&nf>=Fe[th]*Fe[th];)0==nf%Fe[th]?Nm=!1:++th;if(Nm){Cj[++Gs]=Lt(nf);if(Gs>=Fs)break;ng<Fe.length-1&&(++ng,Fe[ng]=nf)}nf+=2}for(t=1;t<=a.t;++t){for(wa=Lm=1;wa<=a.u;++wa)(a.H[wa]==t||a.I[wa]==t)&&(Lm*=a.i[wa]);Km=a.c[t];18==Km&&(Mm=a.o[t],ud=Mm.charCodeAt(0)-65+1,vd=0,1<Mm.length&&(vd=Mm.charCodeAt(1)-97),0>ud&&(ud=0),0>vd&&(vd=0),Km=28*ud+vd); -mf=0;-2>a.A[t]?mf=1:-2==a.A[t]?mf=2:-1==a.A[t]?mf=3:1==a.A[t]?mf=4:2==a.A[t]?mf=5:2<a.A[t]&&(mf=6);Hc=1;eb[t]=Lt(Lm);Hc*=126;eb[t]=Gt(eb[t],Lt(a.x[t]*Hc));Hc*=7;eb[t]=Gt(eb[t],Lt(mf*Hc));Hc*=7;eb[t]=Gt(eb[t],Lt(Km*Hc));Hc*=783;eb[t]=Gt(eb[t],Lt(a.z[t]*Hc))}for(ze=0;!aH(a,Gb,eb);){Es=!1;for(t=1;t<=a.t;++t)Gb[t]!=td[t]&&(td[t]=Gb[t],Es=!0);if(Es){for(t=1;t<=a.t;++t){eb[t]=eh;for(wa=1;wa<=a.z[t];++wa)eb[t]=Pt(eb[t],Cj[Gb[a.G[t][wa]]])}ze=0}else if(0<ze){for(t=1;t<=a.t;++t)eb[t]=eh;t=1;a:for(;t<=a.t- -1;++t)for(wa=t+1;wa<=a.t;++wa)if(Gb[t]==Gb[wa]){eb[t]=fh;break a}}else{for(t=1;t<=a.t;++t){eb[t]=eh;for(wa=1;wa<=a.z[t];++wa)ef=a.G[t][wa],eb[t]=Pt(eb[t],Lt(a.c[ef]*a.i[XG(a,t,ef)]))}ze=1}aH(a,Gb,eb);for(t=1;t<=a.t;++t)eb[t]=Lt(td[t]*a.t+Gb[t])}for(t=1;t<=a.t;++t)td[t]=Gb[t];for(Ma=1;Ma<=a.t;++Ma)for(t=1;t<=a.t;++t)if(td[t]==Ma){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Ma];a.A[t]=a.A[Ma];a.J[t]=a.J[Ma];a.M[t]=a.M[Ma];a.z[t]=a.z[Ma];a.c[Ma]=a.c[0];a.A[Ma]=a.A[0]; -a.J[Ma]=a.J[0];a.M[Ma]=a.M[0];a.z[Ma]=a.z[0];td[t]=td[Ma];td[Ma]=Ma;a.o[0]=a.o[t];a.o[t]=a.o[Ma];a.o[Ma]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Ma];a.e[Ma]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Ma];a.x[Ma]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Gb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Gb[a.H[t]],a.I[t]=Gb[a.I[t]],a.H[t]>a.I[t]&&(Td=a.H[t],a.H[t]=a.I[t],a.I[t]=Td,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Jm=Im= -a.t;bc=0;for(wa=t;wa<=a.u;++wa)a.H[wa]<Im?(Im=a.H[wa],Jm=a.I[wa],bc=wa):a.H[wa]==Im&&a.I[wa]<Jm&&(Jm=a.I[wa],bc=wa);Td=a.H[t];a.H[t]=a.H[bc];a.H[bc]=Td;Td=a.I[t];a.I[t]=a.I[bc];a.I[bc]=Td;Td=a.s[t];a.s[t]=a.s[bc];a.s[bc]=Td;Td=a.B[t];a.B[t]=a.B[bc];a.B[bc]=Td;lI=a.f[t];a.f[t]=a.f[bc];a.f[bc]=lI}SD(a);oG(a);gH(a,H);hH(a,w,H)}else{gH(a,H);a.i=v(I,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(I,k,-1,a.t+1,1);Ec=1;a.b[1]=1;for(da=0;;){N=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=xb[c]){Dc=!0;for(K=1;K<=oc;++K)if(o[K]==c&&n[K]==g||o[K]==g&&n[K]==c){Dc=!1;break}Dc&&(++oc,o[oc]=c,n[oc]=g)}}else m[++N]=g;if(0==N){if(Ec==a.t)break;c=l[da--]}else if(1==N)xb[m[1]]=c,c=m[1],a.b[c]=++Ec;else{l[++da]=c;e=0;for(q=1;q<=N;++q)if(h=XG(a,m[q],c),!H[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=XG(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);xb[e]=c;c=e;a.b[e]=++Ec}}xb=v(I,k,-1,a.t+1,1);b=v(I,k,-1,a.t+1,1);P=v(eH,r,-1,a.t+1,2);Od=v(eH,r,-1,a.t+1,2);f=Ec=da=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(xb[c]=f);b[++Ec]=c;for(a.b[c]=0;;){N=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(B=1;B<=oc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.b[g]&&(++N,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Od[c]=!0;c=l[da--]}else break}f=c;c=e;1<N&&(l[++da]=f,P[e]=!0)}Pd=v(I,k,-1,a.u+1,1);Qd=v(I,k,-1,a.t+1,1);if(a.n.Jb){var nI=xb,tM=oc,Hs,oI,uh,Ge,Is,Js,Ka,Dj,Ks;uh=v(I,k,-1,a.t+1,1);for(Ka=1;Ka<=a.t;++Ka)uh[b[Ka]]=Ka;Is=v(eH, -r,-1,a.u+1,2);for(Ka=1;Ka<=a.t;++Ka)Hs=b[Ka],oI=nI[Hs],Ge=XG(a,Hs,oI),0!=Ge&&(jH(a,Ge,uh,Pd,H),Is[Ge]=!0);for(Ka=1;Ka<=a.u;++Ka)Is[Ka]||jH(a,Ka,uh,Pd,H);Ka=1;a:for(;Ka<=a.t;++Ka)if(!(2>a.z[Ka]||4<a.z[Ka])){Js=Ks=0;for(Dj=1;Dj<=a.z[Ka];++Dj){Ge=XG(a,Ka,a.G[Ka][Dj]);if(5==a.i[Ge])continue a;1==a.s[Ge]&&0!=kH(a,Ge,Ka)&&++Ks;2==a.s[Ge]&&(Js=a.G[Ka][Dj])}if(0!=Ks)if(0<Js){var ia=a,qI=Ka,of=uh,Tc=Qd,qc=void 0,Ej=void 0,Ic=void 0,He=void 0,Jc=void 0,Om=void 0,Pm=void 0,Qm=void 0,Ud=void 0,Uc=void 0,Vc=void 0, -Ls=void 0,Fj=void 0,Vd=void 0,Gj=void 0,Ie=void 0,Hj=void 0,Ms=void 0,Ij=void 0,Je=void 0,rI=void 0,pf=void 0,sI=void 0,Ns=void 0,Jj=void 0,qf=void 0,Vc=1,Ej=qI,qc=v(I,k,-1,ia.t+1,1);for(qc[1]=qI;;){Ls=!1;for(Uc=1;Uc<=ia.z[Ej];++Uc)if(Ic=ia.G[Ej][Uc],!(Ic==qc[1]||Ic==qc[Vc-1]))if(He=XG(ia,Ej,Ic),2==ia.s[He]&&5!=ia.i[He]){Ej=qc[++Vc]=Ic;Ls=!0;break}if(!Ls)break}if(!(0==Vc%2||2>ia.z[qc[Vc]]||3<ia.z[qc[Vc]])){qf=qc[1];Jc=qc[~~((Vc+1)/2)];Ud=qc[Vc];pf=Je=Ie=Vd=0;Ns=Ms=!1;for(Uc=1;Uc<=ia.z[qf];++Uc)Ic= -ia.G[qf][Uc],He=XG(ia,qf,Ic),1!=ia.s[He]||5==ia.i[He]||(0==Vd?Vd=Ic:Ie=Ic);0<of[Ie]&&of[Vd]>of[Ie]&&(Om=Vd,Vd=Ie,Ie=Om);Fj=Vd;0==Vd&&(Fj=Ie,Ms=!0);for(Uc=1;Uc<=ia.z[Ud];++Uc)Ic=ia.G[Ud][Uc],He=XG(ia,Ud,Ic),1!=ia.s[He]||5==ia.i[He]||(0==Je?Je=Ic:pf=Ic);0<of[pf]&&of[Je]>of[pf]&&(Om=Je,Je=pf,pf=Om);Ij=Je;0==Je&&(Ij=pf,Ns=!0);Gj=kH(ia,XG(ia,qf,Vd),qf);Hj=kH(ia,XG(ia,qf,Ie),qf);rI=kH(ia,XG(ia,Ud,Je),Ud);sI=kH(ia,XG(ia,Ud,pf),Ud);1<(0>Gj+Hj?-(Gj+Hj):Gj+Hj)||0!=rI||0!=sI?ur(ia.n,"Bad stereoinfo on allene !"): -(Pm=ia.J[qc[Vc-1]]-ia.J[Ud],Qm=ia.M[qc[Vc-1]]-ia.M[Ud],Jj=Math.sqrt(Pm*Pm+Qm*Qm),0.001>Jj&&(Jj=0.001),0<(ia.M[Ij]-ia.M[qc[Vc-1]])*(Pm/Jj)-(ia.J[Ij]-ia.J[qc[Vc-1]])*(Qm/Jj)?Tc[Jc]=1:Tc[Jc]=-1,Ms&&(Tc[Jc]*=-1),Ns&&(Tc[Jc]*=-1),Fj==Vd&&0>Gj&&(Tc[Jc]*=-1),Fj==Ie&&0>Hj&&(Tc[Jc]*=-1),of[Fj]>of[Ij]&&(Tc[Jc]*=-1))}}else b:{var sb=a,Ya=Ka,Os=nI,tI=uh,uI=o,vI=n,uM=tM,Rm=Qd,Sm=void 0,Wc=void 0,Ps=void 0,vh=void 0,za=void 0,wh=void 0,xd=void 0,Kj=void 0,Wd=void 0,Ob=void 0,ea=void 0,ca=void 0,Ke=void 0,Tm=void 0, -Xc=void 0,G=void 0,Um=void 0,ca=v(I,k,-1,4,1),Tm=v(I,k,-1,4,1),Lj=void 0,Yc=void 0,Vm=void 0,Wm=void 0,Qs=void 0,Mj=void 0,Mj=-1;0<Os[Ya]&&(ca[++Mj]=Os[Ya]);for(Yc=1;Yc<=uM;++Yc)uI[Yc]==Ya&&(ca[++Mj]=vI[Yc]),vI[Yc]==Ya&&(ca[++Mj]=uI[Yc]);for(Yc=Mj+1;Yc<sb.z[Ya];++Yc){Qs=sb.t+1;Vm=1;c:for(;Vm<=sb.z[Ya];++Vm){Lj=sb.G[Ya][Vm];for(Wm=0;Wm<Yc;++Wm)if(Lj==ca[Wm])continue c;tI[Lj]<Qs&&(Qs=tI[Lj],ca[Yc]=Lj)}}0==Os[Ya]&&0<sb.x[Ya]?(ca[3]=ca[2],ca[2]=ca[1],ca[1]=ca[0],ca[0]=-1):0<sb.x[Ya]&&(ca[3]=ca[2],ca[2]= -ca[1],ca[1]=-1);for(za=Kj=wh=vh=Um=xd=Ob=0;4>za;++za)0>=ca[za]||(Sm=XG(sb,Ya,ca[za]),Tm[za]=kH(sb,Sm,Ya),0<Tm[za]?(++Ob,Um=ca[za],wh=ca[za]):0>Tm[za]?(++xd,vh=ca[za],wh=ca[za]):Kj=ca[za]);Wd=Ob+xd;G=v(I,k,-1,4,1);Xc=0;if(3==sb.z[Ya]){if(1==Ob&&1==xd||3==Wd&&0<Ob&&0<xd){ur(sb.n,"Error in C3H stereospecification !");break b}Ke=ca[0];1==Wd?Ke=wh:2==Wd&&(Ke=Kj);ea=VG(sb,Ya,Ke,ca);G[0]=wh;G[1]=-1;G[2]=ea[2];G[3]=ea[1];0<Ob?Xc=1:Xc=-1}else if(4==sb.z[Ya])if(1==Wd)ea=VG(sb,Ya,wh,ca),G[0]=ea[0],G[1]=ea[3], -G[2]=ea[2],G[3]=ea[1],0<Ob?Xc=1:Xc=-1;else{Ke=ca[0];1<Kj&&(Ke=Kj);1==Ob?Ke=Um:1==xd&&(Ke=vh);ea=VG(sb,Ya,Ke,ca);Wc=v(I,k,-1,4,1);for(za=0;4>za;++za)Sm=XG(sb,Ya,ea[za]),Wc[za]=kH(sb,Sm,Ya);if(4==Wd){if(0==Ob||0==xd){ur(sb.n,"Error in C4 stereospecification !");break b}if(1==Ob||1==xd)G[0]=ea[0],G[1]=ea[3],G[2]=ea[2],G[3]=ea[1],Xc=Wc[0];else{for(za=0;4>za;++za)-1==Wc[za]&&(Wc[za]=0);Wd=2}}else if(3==Wd)if(3==Ob||3==xd)G[0]=ea[0],G[1]=ea[3],G[2]=ea[2],G[3]=ea[1],0<Ob?Xc=-1:Xc=1;else{1==Ob?Ob=Ps=1:xd= -Ps=-1;for(za=0;4>za;++za)Wc[za]==Ps&&(Wc[za]=0);Wd=2}if(2==Wd)if(1==Ob&&1==xd)ea[1]==vh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==vh&&(ea[2]=ea[3]),G[0]=Um,G[1]=vh,G[2]=ea[2],G[3]=ea[1],Xc=1;else{if(Wc[0]==Wc[1]||Wc[1]==Wc[2]){ur(sb.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Wc[0]?(G[0]=ea[0],G[1]=ea[2],G[2]=ea[1],G[3]=ea[3]):(G[0]=ea[1],G[1]=ea[3],G[2]=ea[2],G[3]=ea[0]);1<Ob?Xc=1:Xc=-1}}var lb=void 0;ca[0]==G[1]?(lb=G[0],G[0]=G[1],G[1]=lb,lb=G[2],G[2]=G[3],G[3]=lb):ca[0]==G[2]?(lb=G[2],G[2]=G[0], -G[0]=lb,lb=G[1],G[1]=G[3],G[3]=lb):ca[0]==G[3]&&(lb=G[3],G[3]=G[0],G[0]=lb,lb=G[1],G[1]=G[2],G[2]=lb);ca[1]==G[2]?(lb=G[1],G[1]=G[2],G[2]=lb,lb=G[2],G[2]=G[3],G[3]=lb):ca[1]==G[3]&&(lb=G[1],G[1]=G[3],G[3]=lb,lb=G[2],G[2]=G[3],G[3]=lb);G[2]==ca[2]?Rm[Ya]=1:G[2]==ca[3]?Rm[Ya]=-1:ur(sb.n,"Error in stereoprocessing ! - t30");Rm[Ya]*=Xc}}}Va=new DE;i=v(I,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];P[c]&&(Va.b.b+=ua);0<xb[q]&&lH(a,c,xb[c],Va,Pd);var xh=w[c],Ib=void 0,Nj=void 0, -yh=void 0,U=void 0,U=Nc,Ib=!1;0!=a.A[c]&&(Ib=!0);0!=Qd[c]&&(Ib=!0);yh=-1;for(Nj=1;Nj<=a.y;++Nj)if(a.q[Nj][0]==c){yh=a.q[Nj][1];break}-1<yh&&(Ib=!0);a.n.Ib&&0<a.e[c]&&(Ib=!0,yh=1);switch(a.c[c]){case 2:U=Ab;break;case 3:xh?U="c":U=Db;break;case 4:xh?(U=zf,0<a.x[c]&&(Ib=!0)):U=dc;break;case 5:xh?U="o":U=kc;break;case 7:xh?(U="p",0<a.x[c]&&(Ib=!0)):U=mc;break;case 8:xh?U=jg:U=zc;break;case 13:xh?U=mg:U=Bc;Ib=!0;break;case 6:U=Cc;Ib=!0;break;case 9:U=Qb;break;case 10:U=Jb;break;case 11:U=Cb;break;case 12:U= -Wb;break;case 1:U=Ub;Ib=!0;break;case 19:U=nc;Ib=!0;break;case 20:U=pc;Ib=!0;break;case 21:U=rc;Ib=!0;break;case 22:U=sc;Ib=!0;break;case 18:Ib=!0,U=a.o[c],(D(U,xa)||D(U,Sc)||D(U,vb))&&(Ib=!1)}Ib&&(U=Oc+U,1==Qd[c]?U+=ub:-1==Qd[c]&&(U+="@@"),1==a.x[c]?U+=Ub:1<a.x[c]&&(U+=Ub+a.x[c]),0!=a.A[c]&&(0<a.A[c]?U+=ya:U+=Ca,1<Bj(a.A[c])&&(U+=Bj(a.A[c]))),-1<yh&&(U+=mb+yh),U+=Qc);kn(Va.b,U);for(B=1;B<=oc;++B)if(o[B]==c||n[B]==c)d=n[B],d==c&&(d=o[B]),i[c]<i[d]&&lH(a,o[B],n[B],Va,Pd),9<B&&(Va.b.b+="%"),jn(Va,j+ -(new S(B)).b);Od[c]&&(Va.b.b+=va)}return Va.b.b} -function mG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)JD(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function nG(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&mG(a,c);0==a.z[d]&&mG(a,d)} -function fH(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=XG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&mG(a,c)}}}function cH(a){var b;b=a.c.length;a.G=bt([b,7]);a.z=v(I,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function hH(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(I,k,-1,a.u+1,1);o=v(eH,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[XG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:dH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(eH,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function BF(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=M(L(vE((a.J[b]+a.J[c])/2))),a.N[d]=M(L(vE((a.M[b]+a.M[c])/2)))}function gH(a,b){var c;for(c=1;c<=a.u;++c)YF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function WF(a,b){var c;c=(hF(),zD)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function dH(a,b){return 2==a.s[b]?!0:!1}function YF(a,b,c){var d,e,f,g;g=1;a.b=v(I,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function AG(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=bt([b+5,2]),EE(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function xD(a){var b;a.y=0;a.r=0;LG(a);for(b=1;b<=a.t;++b)a.D=b,AG(a);a.D=0} -function lG(a){var b,c;b=v(yF,r,-1,4,1);zF(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function uF(a,b){var c,d,e,f,g,i,h,l;c=v(yF,r,-1,4,1);zF(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;zF(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function JG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function qG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&wE(c,Qc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Ub);g=Aj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=Un(c,d+1);try{a.n.y=EC(i,10)}catch(h){if(h=Hi(h),y(h,119))a.n.y=0;else throw h;}a.D=b;AG(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Db)?3:D(d,Ab)?2:D(d,dc)?4:D(d,kc)?5:D(d,mc)?7:D(d,zc)?8:D(d,Qb)?9:D(d,Jb)?10:D(d,Cb)?11:D(d,Wb)?12:D(d,Ub)?1:D(d,Bc)?13:D(d,Cc)?6:D(d,nc)?19:D(d,pc)?20:D(d,rc)?21:D(d,sc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=eE(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=eE(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=eE(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=eE(c,g++);for(;45==e;)--d,e=eE(c,g++)}a.A[b]=d}}} -function CD(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new YC(b);try{for(;b.k=RC(b,b.b),b.k<b.j;)d=rE(EC(UC(b),10)).b,c=e=rE(EC(UC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Hi(f),y(f,119))gn(f);else throw f;}}function lH(a,b,c,d,e){b=XG(a,b,c);5!=a.i[b]&&dH(a,b)?d.b.b+=qb:3==a.s[b]?d.b.b+=ma:9==a.s[b]?(e=tb,a=a.f[b],null!=a&&(e=a),kn(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Pc)} -function BG(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,ur(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:ur(a.n,"Stereomarking allowed only on single and double bonds!")} -function jH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=XG(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=XG(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=XG(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=XG(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))ur(a.n,"Not unique E/Z geometry !");else{i=XG(a,b,e);f=XG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=XG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function bH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=XG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(dH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function kH(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function oG(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=bH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function CF(a){UG(this);this.n=a;this.y=this.u=this.t=0} -function cG(a,b){var c,d,e,f,g,i,h;CF.call(this,a);f=j;i=aG(b);if(null!=i){h=new XC(b,i,!0);for(e=1;4>=e;++e)f=bG(h,i);g=rE(EC(Tn(f.substr(0,3)),10)).b;c=rE(EC(Tn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)CG(this),f=bG(h,i),this.J[e]=(new qE(nE(Tn(f.substr(0,10))))).b,this.M[e]=-(new qE(nE(Tn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Tn(f.substr(31,d-31)),qG(this,e,d),62<=f.length&&(f=Tn(f.substr(60,3)),0<f.length&&(f=rE(EC(f,10)).b,0<f&&(this.D=e,a.y=f,AG(this),this.D=0)));for(e=1;e<=c;++e)HG(this), -f=bG(h,i),this.H[e]=rE(EC(Tn(f.substr(0,3)),10)).b,this.I[e]=rE(EC(Tn(f.substr(3,3)),10)).b,g=rE(EC(Tn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=rE(EC(Tn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);cH(this);JG(this);AF(this);for(SD(this);(h.k=RC(h,h.b),h.k<h.j)&&!(null==(f=UC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new WC(f);UC(g);UC(g);i=rE(EC(UC(g),10)).b; -for(e=1;e<=i;++e)c=rE(EC(UC(g),10)).b,this.A[c]=rE(EC(UC(g),10)).b}if(0==f.indexOf("M APO")){g=new WC(f);UC(g);UC(g);i=rE(EC(UC(g),10)).b;for(e=1;e<=i;++e)c=rE(EC(UC(g),10)).b,f=rE(EC(UC(g),10)).b,this.D=c,$(this,0),qG(this,this.t,nc+f),this.D=0}}fH(this);SD(this)}} -function RD(a,b){var c,d,e,f,g;CF.call(this,a);0==b.indexOf(ga)&&(b=b.substr(1,b.length-1));wE(b,ga)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new WC(b);d=rE(EC(UC(f),10)).b;e=rE(EC(UC(f),10)).b;for(c=1;c<=d;++c)g=UC(f),CG(this),qG(this,this.t,g),this.J[c]=(new qE(nE(UC(f)))).b,this.M[c]=-(new qE(nE(UC(f)))).b;for(c=1;c<=e;++c)if(HG(this),this.H[c]=rE(EC(UC(f),10)).b,this.I[c]=rE(EC(UC(f),10)).b,this.s[c]=rE(EC(UC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function nR(a){var b,c,d,e,f,g,i,h,l,m,o,n,r;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])QR(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,QR(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){tC(a.k,Cf);a.k.N=9;return}for(d=1;d<=a.y[a.C];++d)if(b=a.r[NR(a, -a.C,a.F[a.C][d])],2<d||1!=b){tC(a.k,Gf);a.k.N=9;return}b=v(oQ,k,-1,2,1);OR(a,a.C,h,b);e=a.I[a.C]-b[0];g=a.L[a.C]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)rR(a),o=f*d+1.5707963267948966,a.I[a.s]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*g)}else if(0<a.D){b=a.G[a.D];c=a.H[a.D];d=0;2==a.y[b]?a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]:2==a.y[c]&&(a.F[c][1]!=b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]); -e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;r=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(r=-r,m=0);n=a.I[b]+o*e-r*g;r=a.L[b]+r*e+o*g;for(d=1;d<=i;++d)rR(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=r+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)rR(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)wR(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&&(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f= -1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[NR(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f],1<a.r[NR(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2; -a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(I,q,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=K(J(kP((a.I[b]+a.I[e])/2))),a.M[c]=K(J(kP((a.L[b]+a.L[e])/2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]= -0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;wR(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=K(J(kP((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2)));a.M[a.t]=K(J(kP((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]? -(wR(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=K(J(kP((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=K(J(kP((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(wR(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=K(J(kP((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=K(J(kP((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0<h[f]&&(cR(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b]; -for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&PR(a,i);-1<l&&(a.C=l)}function QR(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)rR(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)} -function PR(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=tR(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)}function NR(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function RR(a,b,c){var d,e,f,g;e=It;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(AE(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)AE(c[d])&&!oE(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)uE(c[d],e)&&(b[d]=g,c[d]=It,++f);if(f==a.s)break}return g==a.s} -function qQ(a){var b,c,d;b=v(oQ,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{pQ(a,b);c=~~(c/2)-K(J(Math.round(b[0])));d=~~(d/2)-K(J(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;rQ(a)}} -function pQ(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function mR(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=SR(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&tC(a.k,We);0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?tC(a.k,Xe):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?tC(a.k,Te):3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break; -case 5:case 8:case 13:2<d?tC(a.k,Ue):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:tC(a.k,Ve);break;case 18:tC(a.k,$i)}} -function UQ(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(I,q,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(I,q,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&cR(a,c);qQ(a);tC(a.k,Ki);return 1} -function tR(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function xR(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];eR(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),eR(a));4==a.r[d]&&(a.r[d]=1)}} -function MR(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 IO(a){var b;TR(a);b=a.r.length;a.J=v(I,q,-1,b,1);a.M=v(I,q,-1,b,1);rQ(a);eR(a)} -function rR(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(I,q,-1,c,1),uP(a.b,b,a.b.length),a.b=b,b=v(I,q,-1,c,1),uP(a.z,b,a.z.length),a.z=b,b=v(I,q,-1,c,1),uP(a.w,b,a.w.length),a.w=b,b=v(I,q,-1,c,1),uP(a.d,b,a.d.length),a.d=b,b=v(ZD,k,1,c,0),uP(a.c,b,a.c.length),a.c=b,b=v(ZD,k,1,c,0),uP(a.n,b,a.n.length),a.n=b,b=v(oQ,k,-1,c,1),uP(a.I,b,a.I.length),a.I=b,b=v(oQ,k,-1,c,1),uP(a.L,b,a.L.length),a.L=b,b=OD([c,7]),uP(a.F,b,a.F.length),a.F=b,c=v(I,q,-1,c,1),uP(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function NQ(a,b,c,d,e,f){var g;g=K(J(kP(a.I[b]-c/2)));f||(g-=d-c);a=K(J(kP(a.L[b]-~~(e/2))));return new EK(g-1-2,a-2,d+1+4,e+4)} -function wR(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(I,q,-1,b,1),uP(a.G,c,a.G.length),a.G=c,c=v(I,q,-1,b,1),uP(a.H,c,a.H.length),a.H=c,c=v(I,q,-1,b,1),uP(a.r,c,a.r.length),a.r=c,c=v(I,q,-1,b,1),uP(a.A,c,a.A.length),a.A=c,c=v(I,q,-1,b,1),uP(a.J,c,a.J.length),a.J=c,c=v(I,q,-1,b,1),uP(a.M,c,a.M.length),a.M=c,b=v(ZD,k,1,b,0),uP(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function hR(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+uc);i+=(YP(),aa);i+=zg+new IP+da;i+=gR(a.s,3)+gR(a.t,3);i+=oa;g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=zR(0.055999999999999994*(a.I[e]-c),10,4)+zR(0.055999999999999994*(g-a.L[e]),10,4)+zR(0,10,4);h=MQ(a,e);1==h.length?h+=ha:2==h.length?h+=ea:3<h.length&&(h=gi);i+=ea+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&& -(d=4-a.z[e]);h=ra+gR(d,3)+na;f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=gR(f,3):h+=ja;i+=h+ka}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:UR(a,e)&&(g=2),c=gR(a.G[e],3)+gR(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=gR(a.H[e],3)+gR(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=gR(a.H[e],3)+gR(a.G[e],3)),i+=c+gR(g,3)+gR(d,3)+ma;for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+=Pg+gR(e,4)+gR(a.z[e],4)+aa);return i+=Rg} -function AR(a){var b,c,d,e,f,g,i,h,l,m,o,n,r,w,G,B,M,N,V,ba,L,ic,Bc,Wf,vb,Md,Nd,Od,gb,Cc;o=v(I,q,-1,a.s+10,1);n=v(I,q,-1,a.s+10,1);l=v(I,q,-1,a.s+1,1);m=v(I,q,-1,7,1);vb=v(I,q,-1,a.s+1,1);w=v(VR,k,-1,a.s+1,2);G=v(VR,k,-1,a.t+1,2);ic=0;if(0==a.s)return j;UQ(a,!0);Wf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Wf=!1;break}if(a.k.r&&Wf){WR(a);xR(a);XR(a,G);YR(a,w,G);var Db,qd,Ye,Xb,se,rd,sd,cb,pH,Qd,t,wa,ym,zm,gs,ef,Na,Am,Bm,Fc,Cm;Db=v(I,q,-1,a.s+1,1);qd=v(I,q,-1,a.s+1,1);cb=v(ZR,k,-1,a.s+1,3);var hs=a.s,Dm, -oh,is,ig,wj,ye,ff;wj=v(ZR,k,-1,hs+2,3);ye=v(I,q,-1,100,1);ff=5;ig=0;ye[0]=3;wj[1]=Kt;wj[2]=Lt;is=2;if(!(3>hs))for(;ff<ye[ig]*ye[ig];){oh=0;for(Dm=!0;Dm&&oh<=ig&&ff>=ye[oh]*ye[oh];)0==ff%ye[oh]?Dm=!1:++oh;if(Dm){wj[++is]=xE(ff);if(is>=hs)break;ig<ye.length-1&&(++ig,ye[ig]=ff)}ff+=2}for(t=1;t<=a.s;++t){for(wa=Bm=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(Bm*=a.f[wa]);Am=a.b[t];18==Am&&(Cm=a.n[t],rd=Cm.charCodeAt(0)-65+1,sd=0,1<Cm.length&&(sd=Cm.charCodeAt(1)-97),0>rd&&(rd=0),0>sd&&(sd=0),Am=28*rd+sd); -ef=0;-2>a.z[t]?ef=1:-2==a.z[t]?ef=2:-1==a.z[t]?ef=3:1==a.z[t]?ef=4:2==a.z[t]?ef=5:2<a.z[t]&&(ef=6);Fc=1;cb[t]=xE(Bm);Fc*=126;cb[t]=sE(cb[t],xE(a.w[t]*Fc));Fc*=7;cb[t]=sE(cb[t],xE(ef*Fc));Fc*=7;cb[t]=sE(cb[t],xE(Am*Fc));Fc*=783;cb[t]=sE(cb[t],xE(a.y[t]*Fc))}for(se=0;!RR(a,Db,cb);){gs=!1;for(t=1;t<=a.s;++t)Db[t]!=qd[t]&&(qd[t]=Db[t],gs=!0);if(gs){for(t=1;t<=a.s;++t){cb[t]=Jt;for(wa=1;wa<=a.y[t];++wa)cb[t]=BE(cb[t],wj[Db[a.F[t][wa]]])}se=0}else if(0<se){for(t=1;t<=a.s;++t)cb[t]=Jt;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Db[t]==Db[wa]){cb[t]=Kt;break a}}else{for(t=1;t<=a.s;++t){cb[t]=Jt;for(wa=1;wa<=a.y[t];++wa)Ye=a.F[t][wa],cb[t]=BE(cb[t],xE(a.b[Ye]*a.f[NR(a,t,Ye)]))}se=1}RR(a,Db,cb);for(t=1;t<=a.s;++t)cb[t]=xE(qd[t]*a.s+Db[t])}for(t=1;t<=a.s;++t)qd[t]=Db[t];for(Na=1;Na<=a.s;++Na)for(t=1;t<=a.s;++t)if(qd[t]==Na){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[Na];a.z[t]=a.z[Na];a.I[t]=a.I[Na];a.L[t]=a.L[Na];a.y[t]=a.y[Na];a.b[Na]=a.b[0];a.z[Na]=a.z[0]; -a.I[Na]=a.I[0];a.L[Na]=a.L[0];a.y[Na]=a.y[0];qd[t]=qd[Na];qd[Na]=Na;a.n[0]=a.n[t];a.n[t]=a.n[Na];a.n[Na]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[Na];a.c[Na]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[Na];a.w[Na]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Db[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Db[a.G[t]],a.H[t]=Db[a.H[t]],a.G[t]>a.H[t]&&(Qd=a.G[t],a.G[t]=a.H[t],a.H[t]=Qd,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){zm=ym= -a.s;Xb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<ym?(ym=a.G[wa],zm=a.H[wa],Xb=wa):a.G[wa]==ym&&a.H[wa]<zm&&(zm=a.H[wa],Xb=wa);Qd=a.G[t];a.G[t]=a.G[Xb];a.G[Xb]=Qd;Qd=a.H[t];a.H[t]=a.H[Xb];a.H[Xb]=Qd;Qd=a.r[t];a.r[t]=a.r[Xb];a.r[Xb]=Qd;Qd=a.A[t];a.A[t]=a.A[Xb];a.A[Xb]=Qd;pH=a.e[t];a.e[t]=a.e[Xb];a.e[Xb]=pH}IO(a);eR(a);XR(a,G);YR(a,w,G)}else{XR(a,G);a.f=v(I,q,-1,a.t+1,1);for(r=1;r<=a.t;++r)a.f[r]=a.r[r]}c=1;a.a=v(I,q,-1,a.s+1,1);Cc=1;a.a[1]=1;for(ba=0;;){L=0;for(r=1;r<=a.y[c];++r)if(g=a.F[c][r],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=vb[c]){Bc=!0;for(M=1;M<=ic;++M)if(o[M]==c&&n[M]==g||o[M]==g&&n[M]==c){Bc=!1;break}Bc&&(++ic,o[ic]=c,n[ic]=g)}}else m[++L]=g;if(0==L){if(Cc==a.s)break;c=l[ba--]}else if(1==L)vb[m[1]]=c,c=m[1],a.a[c]=++Cc;else{l[++ba]=c;e=0;for(r=1;r<=L;++r)if(h=NR(a,m[r],c),!G[h]){e=m[r];break}if(0==e)for(r=1;r<=L;++r)if(h=NR(a,m[r],c),2==a.f[h]||3==a.f[h]){e=m[r];break}0==e&&(e=m[1]);vb[e]=c;c=e;a.a[e]=++Cc}}vb=v(I,q,-1,a.s+1,1);b=v(I,q,-1,a.s+1,1);N=v(VR,k,-1,a.s+1,2);Md=v(VR,k,-1,a.s+1,2);f=Cc=ba=0; -for(r=1;r<=a.s;++r)if(1==a.a[r]){c=r;break}a:for(;;){0<f&&(vb[c]=f);b[++Cc]=c;for(a.a[c]=0;;){L=e=0;V=a.s+1;r=1;b:for(;r<=a.y[c];++r){g=a.F[c][r];for(B=1;B<=ic;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.a[g]&&(++L,a.a[g]<V&&(e=g,V=a.a[g]))}if(0==e){if(0==ba)break a;Md[c]=!0;c=l[ba--]}else break}f=c;c=e;1<L&&(l[++ba]=f,N[e]=!0)}Nd=v(I,q,-1,a.t+1,1);Od=v(I,q,-1,a.s+1,1);if(a.k.Ib){var rH=vb,SW=ic,js,sH,ph,ze,ks,ls,La,xj,ms;ph=v(I,q,-1,a.s+1,1);for(La=1;La<=a.s;++La)ph[b[La]]=La;ks=v(VR, -k,-1,a.t+1,2);for(La=1;La<=a.s;++La)js=b[La],sH=rH[js],ze=NR(a,js,sH),0!=ze&&($R(a,ze,ph,Nd,G),ks[ze]=!0);for(La=1;La<=a.t;++La)ks[La]||$R(a,La,ph,Nd,G);La=1;a:for(;La<=a.s;++La)if(!(2>a.y[La]||4<a.y[La])){ls=ms=0;for(xj=1;xj<=a.y[La];++xj){ze=NR(a,La,a.F[La][xj]);if(5==a.f[ze])continue a;1==a.r[ze]&&0!=aS(a,ze,La)&&++ms;2==a.r[ze]&&(ls=a.F[La][xj])}if(0!=ms)if(0<ls){var fa=a,uH=La,gf=ph,Wc=Od,kc=void 0,yj=void 0,Gc=void 0,Ae=void 0,Hc=void 0,Em=void 0,Fm=void 0,Gm=void 0,Rd=void 0,Xc=void 0,Yc=void 0, -ns=void 0,zj=void 0,Sd=void 0,Aj=void 0,Be=void 0,Bj=void 0,os=void 0,Cj=void 0,Ce=void 0,vH=void 0,hf=void 0,wH=void 0,ps=void 0,Dj=void 0,jf=void 0,Yc=1,yj=uH,kc=v(I,q,-1,fa.s+1,1);for(kc[1]=uH;;){ns=!1;for(Xc=1;Xc<=fa.y[yj];++Xc)if(Gc=fa.F[yj][Xc],!(Gc==kc[1]||Gc==kc[Yc-1]))if(Ae=NR(fa,yj,Gc),2==fa.r[Ae]&&5!=fa.f[Ae]){yj=kc[++Yc]=Gc;ns=!0;break}if(!ns)break}if(!(0==Yc%2||2>fa.y[kc[Yc]]||3<fa.y[kc[Yc]])){jf=kc[1];Hc=kc[~~((Yc+1)/2)];Rd=kc[Yc];hf=Ce=Be=Sd=0;ps=os=!1;for(Xc=1;Xc<=fa.y[jf];++Xc)Gc= -fa.F[jf][Xc],Ae=NR(fa,jf,Gc),1!=fa.r[Ae]||5==fa.f[Ae]||(0==Sd?Sd=Gc:Be=Gc);0<gf[Be]&&gf[Sd]>gf[Be]&&(Em=Sd,Sd=Be,Be=Em);zj=Sd;0==Sd&&(zj=Be,os=!0);for(Xc=1;Xc<=fa.y[Rd];++Xc)Gc=fa.F[Rd][Xc],Ae=NR(fa,Rd,Gc),1!=fa.r[Ae]||5==fa.f[Ae]||(0==Ce?Ce=Gc:hf=Gc);0<gf[hf]&&gf[Ce]>gf[hf]&&(Em=Ce,Ce=hf,hf=Em);Cj=Ce;0==Ce&&(Cj=hf,ps=!0);Aj=aS(fa,NR(fa,jf,Sd),jf);Bj=aS(fa,NR(fa,jf,Be),jf);vH=aS(fa,NR(fa,Rd,Ce),Rd);wH=aS(fa,NR(fa,Rd,hf),Rd);1<(0>Aj+Bj?-(Aj+Bj):Aj+Bj)||0!=vH||0!=wH?tC(fa.k,qe):(Fm=fa.I[kc[Yc-1]]-fa.I[Rd], -Gm=fa.L[kc[Yc-1]]-fa.L[Rd],Dj=Math.sqrt(Fm*Fm+Gm*Gm),0.001>Dj&&(Dj=0.001),0<(fa.L[Cj]-fa.L[kc[Yc-1]])*(Fm/Dj)-(fa.I[Cj]-fa.I[kc[Yc-1]])*(Gm/Dj)?Wc[Hc]=1:Wc[Hc]=-1,os&&(Wc[Hc]*=-1),ps&&(Wc[Hc]*=-1),zj==Sd&&0>Aj&&(Wc[Hc]*=-1),zj==Be&&0>Bj&&(Wc[Hc]*=-1),gf[zj]>gf[Cj]&&(Wc[Hc]*=-1))}}else b:{var lc=a,mc=La,TW=rH,UW=ph,VW=o,WW=n,XW=SW,Hm=Od,Im=void 0,Zc=void 0,qs=void 0,qh=void 0,ya=void 0,rh=void 0,ud=void 0,Ej=void 0,Td=void 0,Pb=void 0,ca=void 0,Fb=void 0,De=void 0,Jm=void 0,$c=void 0,la=void 0,Km= -void 0,Fb=v(I,q,-1,4,1),Jm=v(I,q,-1,4,1),sh=lc,Ud=mc,xH=UW,rs=TW,yH=VW,zH=WW,YW=XW,Gb=Fb,Fj=void 0,ad=void 0,Lm=void 0,Mm=void 0,ss=void 0,Gj=void 0,Gj=-1;0<rs[Ud]&&(Gb[++Gj]=rs[Ud]);for(ad=1;ad<=YW;++ad)yH[ad]==Ud&&(Gb[++Gj]=zH[ad]),zH[ad]==Ud&&(Gb[++Gj]=yH[ad]);for(ad=Gj+1;ad<sh.y[Ud];++ad){ss=sh.s+1;Lm=1;c:for(;Lm<=sh.y[Ud];++Lm){Fj=sh.F[Ud][Lm];for(Mm=0;Mm<ad;++Mm)if(Fj==Gb[Mm])continue c;xH[Fj]<ss&&(ss=xH[Fj],Gb[ad]=Fj)}}0==rs[Ud]&&0<sh.w[Ud]?(Gb[3]=Gb[2],Gb[2]=Gb[1],Gb[1]=Gb[0],Gb[0]=-1):0< -sh.w[Ud]&&(Gb[3]=Gb[2],Gb[2]=Gb[1],Gb[1]=-1);for(ya=Ej=rh=qh=Km=ud=Pb=0;4>ya;++ya)0>=Fb[ya]||(Im=NR(lc,mc,Fb[ya]),Jm[ya]=aS(lc,Im,mc),0<Jm[ya]?(++Pb,Km=Fb[ya],rh=Fb[ya]):0>Jm[ya]?(++ud,qh=Fb[ya],rh=Fb[ya]):Ej=Fb[ya]);Td=Pb+ud;la=v(I,q,-1,4,1);$c=0;if(3==lc.y[mc]){if(1==Pb&&1==ud||3==Td&&0<Pb&&0<ud){tC(lc.k,Mf);break b}De=Fb[0];1==Td?De=rh:2==Td&&(De=Ej);ca=LR(lc,mc,De,Fb);la[0]=rh;la[1]=-1;la[2]=ca[2];la[3]=ca[1];0<Pb?$c=1:$c=-1}else if(4==lc.y[mc])if(1==Td)ca=LR(lc,mc,rh,Fb),la[0]=ca[0],la[1]=ca[3], -la[2]=ca[2],la[3]=ca[1],0<Pb?$c=1:$c=-1;else{De=Fb[0];1<Ej&&(De=Ej);1==Pb?De=Km:1==ud&&(De=qh);ca=LR(lc,mc,De,Fb);Zc=v(I,q,-1,4,1);for(ya=0;4>ya;++ya)Im=NR(lc,mc,ca[ya]),Zc[ya]=aS(lc,Im,mc);if(4==Td){if(0==Pb||0==ud){tC(lc.k,Nf);break b}if(1==Pb||1==ud)la[0]=ca[0],la[1]=ca[3],la[2]=ca[2],la[3]=ca[1],$c=Zc[0];else{for(ya=0;4>ya;++ya)-1==Zc[ya]&&(Zc[ya]=0);Td=2}}else if(3==Td)if(3==Pb||3==ud)la[0]=ca[0],la[1]=ca[3],la[2]=ca[2],la[3]=ca[1],0<Pb?$c=-1:$c=1;else{1==Pb?Pb=qs=1:ud=qs=-1;for(ya=0;4>ya;++ya)Zc[ya]== -qs&&(Zc[ya]=0);Td=2}if(2==Td)if(1==Pb&&1==ud)ca[1]==qh?(ca[1]=ca[2],ca[2]=ca[3]):ca[2]==qh&&(ca[2]=ca[3]),la[0]=Km,la[1]=qh,la[2]=ca[2],la[3]=ca[1],$c=1;else{if(Zc[0]==Zc[1]||Zc[1]==Zc[2]){tC(lc.k,Of);break b}0!=Zc[0]?(la[0]=ca[0],la[1]=ca[2],la[2]=ca[1],la[3]=ca[3]):(la[0]=ca[1],la[1]=ca[3],la[2]=ca[2],la[3]=ca[0]);1<Pb?$c=1:$c=-1}}var U=la,Hj=Fb,ib=void 0;Hj[0]==U[1]?(ib=U[0],U[0]=U[1],U[1]=ib,ib=U[2],U[2]=U[3],U[3]=ib):Hj[0]==U[2]?(ib=U[2],U[2]=U[0],U[0]=ib,ib=U[1],U[1]=U[3],U[3]=ib):Hj[0]==U[3]&& -(ib=U[3],U[3]=U[0],U[0]=ib,ib=U[1],U[1]=U[2],U[2]=ib);Hj[1]==U[2]?(ib=U[1],U[1]=U[2],U[2]=ib,ib=U[2],U[2]=U[3],U[3]=ib):Hj[1]==U[3]&&(ib=U[1],U[1]=U[3],U[3]=ib,ib=U[2],U[2]=U[3],U[3]=ib);la[2]==Fb[2]?Hm[mc]=1:la[2]==Fb[3]?Hm[mc]=-1:tC(lc.k,Pf);Hm[mc]*=$c}}}gb=new tP;i=v(I,q,-1,a.s+1,1);for(r=1;r<=a.s;++r)i[b[r]]=r;for(r=1;r<=a.s;++r){c=b[r];N[c]&&Zy(gb.a,xb);0<vb[r]&&bS(a,c,vb[c],gb,Nd);var th=w[c],Hb=void 0,Ij=void 0,uh=void 0,Q=void 0,Q=jj,Hb=!1;0!=a.z[c]&&(Hb=!0);0!=Od[c]&&(Hb=!0);uh=-1;for(Ij= -1;Ij<=a.x;++Ij)if(a.p[Ij][0]==c){uh=a.p[Ij][1];break}-1<uh&&(Hb=!0);a.k.Hb&&0<a.d[c]&&(Hb=!0,uh=1);switch(a.b[c]){case 2:Q=ne;break;case 3:th?Q=Vl:Q=Ee;break;case 4:th?(Q=Kp,0<a.w[c]&&(Hb=!0)):Q=vh;break;case 5:th?Q=hq:Q=Qh;break;case 7:th?(Q=Oq,0<a.w[c]&&(Hb=!0)):Q=Wh;break;case 8:th?Q=Xr:Q=wi;break;case 13:th?Q=es:Q=Di;Hb=!0;break;case 6:Q=Ii;Hb=!0;break;case 9:Q=Rf;break;case 10:Q=Ze;break;case 11:Q=we;break;case 12:Q=kg;break;case 1:Q=bg;Hb=!0;break;case 19:Q=hi;Hb=!0;break;case 20:Q=ii;Hb=!0; -break;case 21:Q=ji;Hb=!0;break;case 22:Q=ki;Hb=!0;break;case 18:Hb=!0,Q=a.n[c],(F(Q,Ib)||F(Q,el)||F(Q,Yd))&&(Hb=!1)}Hb&&(Q=lj+Q,1==Od[c]?Q+=Wd:-1==Od[c]&&(Q+=Xd),1==a.w[c]?Q+=bg:1<a.w[c]&&(Q+=bg+a.w[c]),0!=a.z[c]&&(0<a.z[c]?Q+=Jb:Q+=Tb,1<Wv(a.z[c])&&(Q+=Wv(a.z[c]))),-1<uh&&(Q+=kd+uh),Q+=Vk);Zy(gb.a,Q);for(B=1;B<=ic;++B)if(o[B]==c||n[B]==c)d=n[B],d==c&&(d=o[B]),i[c]<i[d]&&bS(a,o[B],n[B],gb,Nd),9<B&&Zy(gb.a,jb),$y(gb,j+(new S(B)).a);Md[c]&&Zy(gb.a,Ab)}return Nz(gb.a)} -function cR(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)zO(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function dR(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&cR(a,c);0==a.y[d]&&cR(a,d)} -function WR(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=NR(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&cR(a,c)}}}function TR(a){var b;b=a.b.length;a.F=OD([b,7]);a.y=v(I,q,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function YR(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(I,q,-1,a.t+1,1);o=v(VR,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[NR(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:UR(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(VR,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function rQ(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=K(J(kP((a.I[b]+a.I[c])/2))),a.M[d]=K(J(kP((a.L[b]+a.L[c])/2)))}function XR(a,b){var c;for(c=1;c<=a.t;++c)OQ(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function MQ(a,b){var c;c=(YP(),rO)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function UR(a,b){return 2==a.r[b]?!0:!1}function OQ(a,b,c){var d,e,f,g;g=1;a.a=v(I,q,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function pR(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=OD([b+5,2]),uP(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function pO(a){var b;a.x=0;a.q=0;AR(a);for(b=1;b<=a.s;++b)a.C=b,pR(a);a.C=0} -function bR(a){var b,c;b=v(oQ,k,-1,4,1);pQ(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function kQ(a,b){var c,d,e,f,g,i,h,l;c=v(oQ,k,-1,4,1);pQ(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;pQ(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function yR(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function fR(a,b,c){var d,e,f,g,i;if(0==c.indexOf(lj)&&mP(c,Vk))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(Kb)&&(f=!0);-1<c.indexOf(nd)&&(f=!0);-1<c.indexOf(Va)&&(f=!0);-1<c.indexOf(Ia)&&(f=!0);d=c.indexOf(kd);e=c.indexOf(bg);g=Vv(c.indexOf(Jb),c.indexOf(Tb));if(-1<d){i=mG(c,d+1);try{a.k.x=GN(i,10)}catch(h){if(h=cv(h),y(h,73))a.k.x=0;else throw h;}a.C=b;pR(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=F(d,Ee)?3:F(d,ne)?2:F(d,vh)?4:F(d,Qh)?5:F(d,Wh)?7:F(d,wi)?8:F(d,Rf)?9:F(d,Ze)?10:F(d,we)?11:F(d,kg)?12:F(d,bg)?1:F(d,Di)?13:F(d,Ii)?6:F(d,hi)?19:F(d,ii)?20:F(d,ji)?21:F(d,ki)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ea;d=0;0<e&&(d=1,e=lP(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=lP(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=lP(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=lP(c,g++);for(;45==e;)--d,e=lP(c,g++)}a.z[b]=d}}} -function uO(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new aO(b);try{for(;b.j=UN(b,b.a),b.j<b.i;)d=gP(GN(XN(b),10)).a,c=e=gP(GN(XN(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=cv(f),y(f,73))Xy(f);else throw f;}}function bS(a,b,c,d,e){b=NR(a,b,c);5!=a.f[b]&&UR(a,b)?Zy(d.a,Ld):3==a.r[b]?Zy(d.a,Va):9==a.r[b]?(e=Vd,a=a.e[b],null!=a&&(e=a),Zy(d.a,e)):1==e[b]?Zy(d.a,yc):-1==e[b]&&Zy(d.a,nj)} -function qR(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,tC(a.k,Ni);else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:tC(a.k,Mi)} -function $R(a,b,c,d,e){var 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109:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));Z(b,g+a.X-c,f+ -~~(a.X/2),g+a.X-~~(3*c/2),f+~~(a.X/2)+~~(c/2));Z(b,g+a.X-c,f+~~(a.X/2),g+a.X-~~(3*c/2),f+~~(a.X/2)-~~(c/2));break;case 102:Y(b,EA);qB(b,g+3,f+5,a.X-7,a.X-11);Y(b,JA);FF(b,g+3,f+5,a.X-7,a.X-11);break;case 103:Y(b,JD);a.nb&&pB(b,g+1,f+1,a.X,a.X,!1);Y(b,JA);LF(a,b,g,f,"NEW");break;case 106:Y(b,KA);Z(b,g+7,f+7,g+a.X-7,f+a.X-7);Z(b,g+8,f+7,g+a.X-6,f+a.X-7);Z(b,g+7,f+a.X-7,g+a.X-7,f+7);Z(b,g+8,f+a.X-7,g+a.X-6,f+7);Y(b,JA);Z(b,g+c,f+~~(a.X/2),g+12,f+~~(a.X/2));LF(a,b,g+6,f,rc);break;case 104:Y(b,KA);Z(b, -g+7,f+7,g+a.X-7,f+a.X-7);Z(b,g+8,f+7,g+a.X-6,f+a.X-7);Z(b,g+7,f+a.X-7,g+a.X-7,f+7);Z(b,g+8,f+a.X-7,g+a.X-6,f+7);Y(b,JA);break;case 105:a.Hb?(Y(b,OA),Z(b,g+11,f+5,g+9,f+9),Z(b,g+9,f+9,g+4,f+9),Z(b,g+4,f+9,g+8,f+12),Z(b,g+8,f+12,g+6,f+18),Z(b,g+6,f+18,g+11,f+15),Z(b,g+12,f+5,g+14,f+9),Z(b,g+14,f+9,g+19,f+9),Z(b,g+19,f+9,g+15,f+12),Z(b,g+15,f+12,g+17,f+18),Z(b,g+17,f+18,g+12,f+15),Y(b,JA)):LF(a,b,g,f,"123");break;case 113:Y(b,PA);c=a.X-8;e=g+~~((a.X-c)/2);d=f+~~((a.X-c)/2);qB(b,e,d,c,c);Y(b,JA);MF(a, -b,g,f,EA,"i");break;case 201:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2)+2);Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2)-2);Z(b,g+a.X-c,f+~~(a.X/2)+2,g+a.X-c,f+~~(a.X/2)-2);break;case 202:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));break;case 203:Z(b,g+c,f+~~(a.X/2)-2,g+a.X-c,f+~~(a.X/2)-2);Z(b,g+c,f+~~(a.X/2)+2,g+a.X-c,f+~~(a.X/2)+2);break;case 204:Z(b,g+c,f+~~(a.X/2),g+a.X-c,f+~~(a.X/2));Z(b,g+c,f+~~(a.X/2)-3,g+a.X-c,f+~~(a.X/2)-3);Z(b,g+c,f+~~(a.X/2)+3,g+a.X-c,f+~~(a.X/2)+3);break;case 205:Z(b,g+~~(c/2),f+ -2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Z(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Z(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:NF(a,b,g,f+2,3);break;case 207:NF(a,b,g,f,4);break;case 208:NF(a,b,g,f,5);break;case 209:NF(a,b,g,f,1);break;case 210:NF(a,b,g,f,6);break;case 211:NF(a,b,g,f,7);break;case 212:NF(a,b,g,f,8);break;case 213:LF(a,b,g,f,"FG"),a.E=new FB(g,f)}else c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e? -c=12:1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=wD[c]&&MF(a,b,g,f,vD[c],wD[c])}function OF(a){var b,c,d;a.ib&&(null==a.I&&(a.I=j),d=a.H.a,c=a.B.b-a.X,b=a.X,Y(d,JD),qB(d,0,0,c,b),a.mb?(Y(d,(DA(),IA)),FF(d,-1,0,c,b-1)):(Y(d,kF),Z(d,0,0,c-1-2,0),Y(d,RA(JD)),Z(d,0,b-1,c-1,b-1),Z(d,c-1,0,c-1,b-1)),PF(d,a.W),Y(d,(DA(),JA)),-1!=a.I.toLowerCase().indexOf(ge)&&Y(d,KA),QF(d,a.I,10,15),RF(a.Nb,a.H,a.X,a.B.a-a.X))} -function SF(a){var b,c,d,e;if(a.jb){d=a.P.a;c=a.X;b=a.B.a-2*a.X-a.R;Y(d,JD);qB(d,0,0,c,b);a.mb?(Y(d,(DA(),IA)),Z(d,0,b-1,c,b-1),e=rD*(a.X+a.R)+2,Z(d,0,e,c,e),Z(d,0,e,0,b),Z(d,a.X-1,e,a.X-1,b-a.X)):(Y(d,kF),Z(d,0,0,0,b-1),Z(d,0,rD*a.X,b-1,rD*a.X),Y(d,RA(JD)),Z(d,c-1,0,c-1,b-1-a.X),Z(d,0,b-1,c-1,b-1));for(b=3;b<=rD+2;++b)EF(a,d,1,b);RF(a.Nb,a.P,0,2*a.X+a.R)}} -function TF(a){var b,c,d,e;if(a.kb){e=a.bb.a;c=a.B.b-a.X;b=a.B.a-3*a.X-a.R;Y(e,a.s);qB(e,0,0,c,b);d=a.cb?(MB(),PB):(MB(),RB);if((MB(),NB)==(MB(),NB))d==PB?e.a=j:e.a=sg;d=new bA(a.db);(e.n=d)&&d&&(e.b='stroke-width="'+d.e+ga);for(d=1;d<=a.sb;++d){var f=a.eb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,G=w=o=m=void 0,A=n=void 0,J=m=q=o=i=void 0,O=m=i=void 0,X=h=o=h=void 0,ca=w=A=void 0,M=ca=q=n=l=A=m=q=G=J=n=void 0,M=h=n=o=o=J=M=X=i=O=O=G=X=n=n=O=X=void 0,w=A=1,l= -2,ca=3;f.v&&(BF(f),yF(f.k,1,f.k.sb,0),f.v=!1);1!=f.k.A&&(l*=f.k.A,ca*=f.k.A,i=1,0.7>f.k.A&&(i=1.2),i=I(13*f.k.A*i),f.k.j=new dB(Vb,0,i),f.k.k=new TB((hq(),f.k.j)));f.k.z&&(Y(g,(DA(),JA)),FF(g,0,0,f.k.B.b-1,f.k.B.a-1));if(0!=f.s){if(-1==f.j){m=L(K(Math.round(12*l)));for(i=1;i<=f.s;++i)0<f.d[i]&&7>f.d[i]&&(Y(g,(iF(),mF)[f.d[i]]),h=g,o=I(f.I[i]-m/2),O=I(f.L[i]-m/2),X=M=m,GF(h,!0),HF(h,IF(h,o,O,M,X)));for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],0!=f.d[h]&&f.d[h]==f.d[m]&&(Y(g,(iF(),mF)[f.d[h]]),n=f.I[m]-f.I[h], -A=f.L[m]-f.L[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=3*ca*A,n=3*ca*w,O=v(H,r,-1,4,1),o=v(H,r,-1,4,1),O[0]=I(f.I[h]+q),o[0]=I(f.L[h]-n),O[1]=I(f.I[m]+q),o[1]=I(f.L[m]-n),O[2]=I(f.I[m]-q),o[2]=I(f.L[m]+n),O[3]=I(f.I[h]-q),o[3]=I(f.L[h]+n),m=g,h=O,GF(m,!0),HF(m,UF(m,h,o,4,!0)))}for(i=1;i<=f.t;++i){Y(g,(DA(),JA));h=f.G[i];m=f.H[i];1==f.j&&0!=f.d[h]&&f.d[h]==f.d[m]&&Y(g,(iF(),mF)[f.d[h]]);if(3==f.A[i]||4==f.A[i])o=h,h=m,m=o;X=f.I[h];M=f.L[h];O=f.I[m];o=f.L[m];if(1!=f.r[i]||0!=f.A[i])n=O-X,A=o- -M,w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w;switch(f.r[i]){case 2:10<=f.A[i]&&Y(g,NA);q=l*A;n=l*w;Z(g,L(K(Math.round(X+q))),L(K(Math.round(M-n))),L(K(Math.round(O+q))),L(K(Math.round(o-n))));Z(g,L(K(Math.round(X-q))),L(K(Math.round(M+n))),L(K(Math.round(O-q))),L(K(Math.round(o+n))));Y(g,JA);break;case 3:m=L(K(Math.round(X)));h=L(K(Math.round(M)));O=L(K(Math.round(O)));o=L(K(Math.round(o)));Z(g,m,h,O,o);X=L(K(Math.round(ca*A)));M=L(K(Math.round(ca*w)));Z(g,m+X,h-M,O+X,o-M);Z(g,m-X,h+M,O-X,o+M);break; -case 9:case 0:for(h=0;10>h;++h)G=X-(X-O)/10*h,J=M-(M-o)/10*h,Z(g,L(K(Math.round(G))),L(K(Math.round(J))),L(K(Math.round(G))),L(K(Math.round(J))));PF(g,f.k.j);m=VF(f.k.k);n=f.e[i];h=rb;null!=n&&(h=n);n=UB(f.k.k,h);X=L(K(Math.round((X+O)/2-n/2)));n=L(K(Math.round((M+o)/2+~~(m/2)-1)));Y(g,NA);QF(g,h,X,n);Y(g,JA);break;default:if(1==f.A[i]||3==f.A[i])q=ca*A,n=ca*w,J=v(H,r,-1,3,1),G=v(H,r,-1,3,1),J[0]=L(K(Math.round(O+q))),G[0]=L(K(Math.round(o-n))),J[1]=L(K(Math.round(X))),G[1]=L(K(Math.round(M))),J[2]= -L(K(Math.round(O-q))),G[2]=L(K(Math.round(o+n))),m=g,h=J,o=G,GF(m,!0),HF(m,UF(m,h,o,3,!0));else if(2==f.A[i]||4==f.A[i]){q=ca*A;n=ca*w;for(h=0;10>h;++h)G=X-(X-O)/10*h,J=M-(M-o)/10*h,m=h/10,Z(g,L(K(Math.round(G+q*m))),L(K(Math.round(J-n*m))),L(K(Math.round(G-q*m))),L(K(Math.round(J+n*m))))}else Z(g,L(K(Math.round(X))),L(K(Math.round(M))),L(K(Math.round(O))),L(K(Math.round(o))))}}w=v(zF,k,-1,f.s+1,1);A=v(H,r,-1,f.s+1,1);for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],l=f.I[h],o=f.I[m],++A[h],++A[m],w[h]=w[h]/ -A[h]+o/A[h],w[m]=w[m]/A[m]+l/A[m];PF(g,f.k.j);m=VF(f.k.k);M=v(mt,k,1,f.s+1,0);O=v(H,r,-1,f.s+1,1);o=v(H,r,-1,f.s+1,1);l=v(WF,k,53,f.s+1,0);for(i=1;i<=f.s;++i)h=XF(f,i),(null==h||1>h.length)&&(h=xa),3==f.b[i]&&0<f.y[i]&&0==f.z[i]?(M[i]=h,O[i]=o[i]=UB(f.k.k,h),l[i]=YF(f,i,O[i],O[i],m,!1)):(X=w[i]<f.I[i],G=!0,1<A[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/3&&(G=!1),2<A[i]&&(G=!1),1==A[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/10&&(X=!0),n=h,J=j,f.k.Eb&&0<f.w[i]&&(J+=Ub, -1<f.w[i]&&(J+=f.w[i])),q=j,0!=f.z[i]&&(1<Qj(f.z[i])&&(q+=Qj(f.z[i])),0<f.z[i]?q+=za:q+=Ca),X||!G?h=h+J+q+j:h=q+J+j+h,G||(n=h),M[i]=h,n=UB(f.k.k,n),q=UB(f.k.k,h),O[i]=n,o[i]=q,q=l[i]=YF(f,i,n,q,m,X),X=q.c+2+1,n=q.d+m+2,Y(g,f.k.s),-1==f.j&&0!=f.d[i]&&Y(g,(iF(),mF)[f.d[i]]),qB(g,q.c,q.d,q.b,q.a),1==f.j?0!=f.d[i]?Y(g,(iF(),mF)[f.d[i]]):Y(g,(DA(),JA)):Y(g,(iF(),vD)[f.b[i]]),QF(g,h,X,n));for(h=1;h<=f.x;++h)i=f.p[h][0],n=O[i],q=o[i],X=L(K(vE(f.I[i]-n/2))),n=L(K(vE(f.L[i]+~~(m/2)-1))),Y(g,(DA(),NA)),QF(g, -ba+f.p[h][1],X+q,n);if(0<f.C||0<f.D)if(Y(g,104==f.k.b?(DA(),KA):(DA(),PA)),0<f.C&&106!=f.k.b&&(q=l[f.C],FF(g,q.c,q.d,q.b,q.a)),0<f.D&&(h=f.G[f.D],m=f.H[f.D],n=f.I[m]-f.I[h],A=f.L[m]-f.L[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=(ca+1)*A,n=(ca+1)*w,J=v(H,r,-1,5,1),G=v(H,r,-1,5,1),J[0]=L(K(vE(f.I[h]+q))),J[1]=L(K(vE(f.I[m]+q))),G[0]=L(K(vE(f.L[h]-n))),G[1]=L(K(vE(f.L[m]-n))),J[3]=L(K(vE(f.I[h]-q))),J[2]=L(K(vE(f.I[m]-q))),G[3]=L(K(vE(f.L[h]+n))),G[2]=L(K(vE(f.L[m]+n))),J[4]=J[0],G[4]=G[0],106!= -f.k.b&&(ca=g,i=J,A=G,ca.n&&(GF(ca,!1),HF(ca,UF(ca,i,A,5,!0)))),106==f.k.b&&ZF(f,f.G[f.D],f.H[f.D]))){ca=0;for(i=1;i<=f.s;++i)0<f.a[i]&&++ca;if(ca>~~(f.s/2))for(i=1;i<=f.s;++i)0<f.a[i]?f.a[i]=0:f.a[i]=1;Y(g,(DA(),KA));for(i=1;i<=f.s;++i)0<f.a[i]&&(q=l[i],FF(g,q.c,q.d,q.b,q.a))}}}a.y||(a.mb?(Y(e,(DA(),IA)),Z(e,c-1,0,c-1,b-1)):(Y(e,RA(JD)),Z(e,c-1,0,c-1,b-1),Y(e,JD),Z(e,c-2,0,c-2,b-1),Y(e,kF),Z(e,c-3,0,c-3,b-1)));a.Ab&&(d=~~((c-48)/2),Y(e,(DA(),NA)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.y&&(a.S=new dB(Vb,0,13),a.V=new TB(a.S),null!=a.ab&&(d=UB(a.V,a.ab),c=L(K(Math.round((c-d)/2))),b-=13,Y(e,(DA(),JA)),PF(e,a.S),QF(e,a.ab,c,b)));RF(a.Nb,a.bb,a.X,2*a.X+a.R)}} -function NF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.X/4);g=!1;h=v(H,r,-1,9,1);l=v(H,r,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.n&&(GF(b,!1),HF(b,UF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function $F(a){var b,c,d;if(a.lb){d=a.Kb.a;b=a.B.b;c=2*a.X+a.R;Y(d,JD);qB(d,0,0,b,c);a.mb?(Y(d,(DA(),IA)),c=13*(a.X+a.R),FF(d,c,0,b-c-1,2*a.X+a.R-1)):(Y(d,RA(JD)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,kF),Z(d,0,0,b-1,0));c=a.b;233<=a.b&&262>=a.b&&(a.b=213);for(b=1;13>=b;++b)EF(a,d,b,1),EF(a,d,b,2);a.b=c;RF(a.Nb,a.Kb,0,0)}} -function KF(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);JF(a,b,c+m-i,f,d-4-i-1,e,h)} -function aG(a,b){var c,d,e,f,g,i,h;OD(a);if(0==b.indexOf("$RXN")){a.Ab=!0;a.hb=!0;g=bG(b);h=new ZC(b,g,!0);d=j;for(c=1;5>=c;++c)d=cG(h,g);c=rE(GC(Tn(d.substr(0,3)),10)).a;f=rE(GC(Tn(d.substr(3,3)),10)).a;cG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=cG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.eb[++a.sb]=new dG(a,e)}yF(a,1,c,1);yF(a,c+1,c+f,3)}else{a.Ab=!1;a.Y=new dG(a,b);if(!a.Y||0==a.Y.s)return a.ib=!0,a.I="ERROR - problems in reading/processing MOL input",eD(a),!1;null!=a.f&&a.Y&&zD(a.Y,a.f,!0);null!=a.i&& -a.Y&&zD(a.Y,a.i,!1);g=eG(a.Y,!1);if(1==g)a.eb[++a.sb]=a.Y;else{a.hb=!0;for(d=1;d<=g;++d)a.eb[++a.sb]=new fG(a,a.Y,d)}a.d=1;a.Y=a.eb[a.d];yF(a,1,g,0)}eD(a);return!0} -function gG(a,b){var c,d,e,f,g,i,h,l;OD(a);c=f=0;l=new ZC(b,"|>",!0);e=-1<b.indexOf(qb);i=1;g=SC(l);a.sb=0;for(d=1;d<=g;++d)if(h=WC(l),Tn(h),!D(h,eh))if(D(h,qb))++i,2==i?f=a.sb:3==i&&(c=a.sb+1);else{a.Y=new SD(a,h);if(0==a.Y.s)return UD(a,"ERROR - problems in reading/processing molecule !"),sC(),!1;++a.sb;a.d=a.sb;a.eb[a.sb]=a.Y}if(2==i)return UD(a,"ERROR - strange reaction - fixing !"),sC(),!1;if(3<i)return UD(a,"ERROR - strange reaction !"),sC(),!1;1<a.sb&&!e&&tD(a,zf);e&&!a.Ab&&tD(a,bg);!e&&a.Ab&& -tD(a,Df);e?(yF(a,1,f,1),yF(a,f+1,c-1,2),yF(a,c,a.sb,3)):yF(a,1,a.sb,0);eD(a);return!0}function vr(a,b){a.ib=!0;a.I=b} -function zr(a,b){var c,d;if(0==b)return!1;wF(a);c=a.b;a.b=b;if(300>=b)switch(a.lb=!0,a.jb=!0,b){case 102:KD(a);d=a.Z;d.a=d.b;d.b.c=null;hG(a.Cb);break;case 110:a.kb=!0;a.b=c;a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b?a.e&&(++a.sb,a.d=a.sb,a.e=!1):(a.ib=!0,a.I="No more undo");if(!(a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b))break;iG(a,fF(a.Z));a.kb=!0;break;case 111:a.b=c;if(a.Z.a.c)a.e&&(++a.sb,a.d=a.sb,a.e=!1);else{a.ib=!0;a.I="No more redo";break}if(!a.Z.a.c)break;d=a.Z;if(!d.a.c)throw new Jv("Cannot redo. Index is out of range."); -if(!d.a.c)throw new Jv(Zb);d.a=d.a.c;iG(a,d.a.a);a.kb=!0;break;case 152:a.b=c;d=a.Cb;d.a<d.c-1?(++d.a,d=xu(d,d.a)):d=null;null==d?(a.ib=!0,a.I=kc):(vr(a,cc+(a.Cb.a+1)+da+a.Cb.c),d=yE(d),AD(a,d,!1),null!=a.qb&&aD(a.qb,null));break;case 151:a.b=c;d=a.Cb;0<d.a?(--d.a,d=xu(d,d.a)):d=null;null==d?(a.ib=!0,a.I=kc):(vr(a,cc+(a.Cb.a+1)+da+a.Cb.c),d=yE(d),AD(a,d,!1),null!=a.qb&&aD(a.qb,null));break;case 101:a.Fb&&$E(a.Fb);a.Fb=new jG(1,a);a.b=c;break;case 107:!a.yb?a.yb=new kG(a):a.yb._b.c.$?lG(a.yb._b.c): -HD(a.yb);break;case 113:a.a&&$E(a.a);a.a=new jG(0,a);a.b=c;break;case 103:a.kb=!0;a.nb=!0;a.b=c;break;case 105:a.kb=!0;a.p&&a.fb&&(a.fb=!1,uD(a.Y),a.b=c);a.x=1;break;case 112:case 109:a.b=c;d=mG(a.Y);if(2==d){a.ib=!0;a.I="Copying the agent not possible !";break}d=v(zF,k,-1,4,1);AF(a.Y,d);a.kb=!0;a.Y=new pF(a.Y);d=I(~~((a.B.b-a.X)/2)-d[0]);for(c=1;c<=a.Y.s;++c)a.Y.I[c]+=2*d;TD(a.Y);a.eb[++a.sb]=a.Y;a.d=a.sb;break;case 104:0<a.Y.C?(a.kb=!0,nG(a.Y,a.Y.C),a.Y.C=0,xF(a)):0<a.Y.D&&(a.kb=!0,oG(a.Y,a.Y.D), -a.Y.D=0,xF(a));pG(a.Y);break;case 213:a.b=c;if(!a.D){var e,f,g,i;i=new JB;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new CB(c),IB(i,g),g.c=c,Xz(g.d,a);Vy(a,i);a.D=i}qG(a.D.a,a,a.E.a,a.E.b)}else{a.jb=!0;a.lb=!0;switch(b){case 301:a.c=3;break;case 401:a.c=4;break;case 501:a.c=5;break;case 701:a.c=9;break;case 801:a.c=10;break;case 901:a.c=11;break;case 1001:a.c=12;break;case 601:a.c=8;break;case 1101:a.c=7;break;case 1300:a.c=1;break;case 1201:a.n&&($E(a.n),a.n=null);0==a.Y.C&&(a.n=new jG(2,a));a.c= -18;break;case 1301:a.c=19;break;case 1302:a.c=20;break;case 1303:a.c=21;break;case 1304:a.c=22}0<a.Y.C&&(a.kb=!0,a.c!=a.Y.b[a.Y.C]&&18!=a.c&&(a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,xF(a)),18==a.c&&(d=Zn((wr(),xr)._b.a.gb,Wg),rG(a.Y,a.Y.C,d),xF(a)),pG(a.Y))}eD(a);return!0} -function Sq(a){var b,c,d;d=VD(a);c=j;if(a.Ab){var e,f,g;g=bt([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)mG(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(sG(g[1][0],3)+sG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+tG(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+tG(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new uG(a,a.eb,a.sb)),c=tG(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function vG(a,b,c,d){var e;e=c;var f=d,g,i;(g=wG(b),i=0!=(b.e&2),g||i)?(g=a.Ab?(!a.v&&(a.v=qD(a,!0)),a.v):(!a.u&&(a.u=qD(a,!1)),a.u),qG(g.a,a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=xG(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){e=0;for(b=1;13>=b;++b)if(c<b*(a.X+a.R)){e=b;break}c=0;for(b=1;b<=rD+2;++b)if(d<b*(a.X+a.R)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Gb=!0,a.ib=!0,a.I="Next ring will be added as spiro",eD(a),!0; -if(!a.xb&&107==d||!a.Ib&&201==d||!a.hb&&103==d||!a.rb&&!a.p&&105==d||!a.Ab&&109==d)return!1;e=zr(a,d)}else{if(d>a.B.a-a.X-1)return!1;a.gb=!0;c-=a.X;d-=2*a.X+a.R;if(0<a.Y.C)if(104==a.b)nG(a.Y,a.Y.C),a.Y.C=0,xF(a);else{if(106==a.b)return!0;if(108==a.b)yG(a.Y,a.Y.C,0),xF(a);else if(157==a.b)yG(a.Y,a.Y.C,1),xF(a);else if(158==a.b)yG(a.Y,a.Y.C,-1),xF(a);else if(202==a.b||203==a.b||204==a.b||201==a.b||205==a.b)a.N=1,$(a.Y,0),a.Y.E=a.Y.C,205==a.b?(a.Y.u=1,a.Y.i[1]=a.Y.s,a.Y.i[0]=a.Y.C,a.Y.D=0):xF(a);else if(206<= -a.b&&229>=a.b)a.N=2,zG(a.Y),xF(a);else if(230==a.b)a.N=3,xF(a);else if(233<=a.b&&262>a.b)AG(a.Y,!1),xF(a),a.N=3;else if(107==a.b){if(a.yb.b)return!0;rG(a.Y,a.Y.C,Zn(a.yb.e._b.a.gb,Wg));xF(a)}else if(105==a.b)BG(a.Y);else if(300<a.b){if(a.c!=a.Y.b[a.Y.C]||18==a.c)a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,18==a.c&&(d=Zn((wr(),xr)._b.a.gb,Wg),1>d.length&&(d=Oc),rG(a.Y,a.Y.C,d)),xF(a)}else e=!1}else if(0<a.Y.C&&206<=a.b&&229>=a.b)a.N=2,zG(a.Y),xF(a);else if(0<a.Y.D)if(104==a.b)oG(a.Y,a.Y.D),a.Y.D= -0,xF(a);else if(106==a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])vr(d.k,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;nG(d,c);d.a[c]=0}a.Y.D=0;xF(a)}else if(201==a.b)CG(a.Y,a.Y.D),xF(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),xF(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,xF(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,xF(a);else if(206<= -a.b&&229>=a.b)a.N=2,zG(a.Y),xF(a);else if(107==a.b){if(!a.yb.b)return!0;d=Zn(a.yb.e._b.a.gb,Wg);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;xF(a)}else 105==a.b?(a.ib=!0,a.I="Only atoms may be marked !"):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new DF(a);a.Y=a.eb[a.sb];a.nb=!1;202<=a.b&&204>=a.b||205==a.b?(DG(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,a.Y.E=1,a.N=1,$(a.Y,0),205==a.b&&(a.Y.I[2]=c+21.65,a.Y.L[2]=d-12.5,a.Y.i[0]=1,a.Y.i[1]=2,a.Y.u=1)):206<=a.b&&229>=a.b? -(a.Y.K=c,a.Y.N=d,a.N=2,zG(a.Y)):300<a.b?(DG(a.Y),a.Y.b[1]=a.c,a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,18==a.c&&(d=Zn((wr(),xr)._b.a.gb,Wg),1>d.length&&(d=Oc),rG(a.Y,1,d))):230==a.b?yD(a,null):233<=a.b&&262>a.b?(DG(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,AG(a.Y,!0)):sC();xF(a)}else e=!1;e&&(pG(a.Y),a.jb=!1,a.lb=!1,a.kb=!0,eD(a))}return e} -function EG(a,b,c,d){var e,f;if(a.y||!a.gb||wG(b))return!0;a.ib=!1;c-=a.X;d-=2*a.X;e=c-a.Lb;f=d-a.Mb;if(2==a.N||3==a.N||9==a.N)return!0;if(1==a.N){a:{b=a.Y;e=c;f=d;var g,i,h,l,m,o,n;b.C=0;b.I[0]=e;b.L[0]=f;g=FG(b,0);if(0<g&&205!=b.k.b)b.C=g,g!=b.E?(b.I[b.s]=b.I[g],b.L[b.s]=b.L[g]):(b.I[b.s]=b.K,b.L[b.s]=b.N);else if(205==b.k.b){b.D=0;g=b.i[b.u];l=b.i[b.u-1];i=b.I[g]-b.I[l];h=b.L[g]-b.L[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.I[l];n=f-b.L[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.u)nG(b,b.s),--b.u,b.B=!1;else if(2==b.s)0>b.L[2]-b.L[1]&&0<f-b.L[1]?b.L[2]=b.L[1]+g/2:0<b.L[2]-b.L[1]&&0>f-b.L[1]&&(b.L[2]=b.L[1]-g/2),0>b.I[2]-b.I[1]&&0<e-b.I[1]?b.I[2]=b.I[1]+0.866*g:0<b.I[2]-b.I[1]&&0>e-b.I[1]&&(b.I[2]=b.I[1]-0.866*g);else{if(2==b.y[b.i[0]]&&(m=b.F[b.i[0]][1],m==b.i[1]&&(m=b.F[b.i[0]][2]),i=b.I[b.i[0]]-b.I[m],h=b.L[b.i[0]]-b.L[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.I[m],n=f-b.L[m],e=n*i-o*h,o=b.I[b.i[1]]-b.I[m],n=b.L[b.i[1]]-b.L[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.t,b.C=b.i[0],$(b,0),oG(b,e),0<FG(b,b.s)&&(b.B=!0)}else{if(b.B)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.u;if(100<b.u){vr(b.k,"You are too focused on chains, enough of it for now !");--b.u;break 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WG(a,b,c,d){var e,f,g,i,h,l,m,o,n;h=v(H,r,-1,4,1);f=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(f*f+g*g);0.001>m&&(m=0.001);n=g/m;e=f/m;l=v(H,r,-1,4,1);for(i=0;4>i;++i)d[i]==c||0>=d[i]||(0==l[1]?l[1]=d[i]:0==l[2]?l[2]=d[i]:0==l[3]&&(l[3]=d[i]));o=v(zF,k,-1,4,1);d=v(zF,k,-1,4,1);for(i=1;3>=i;++i)3==i&&0==l[3]||(f=(a.I[l[i]]-a.I[b])*e+(a.L[l[i]]-a.L[b])*n,g=(a.L[l[i]]-a.L[b])*e-(a.I[l[i]]-a.I[b])*n,m=Math.sqrt(f*f+g*g),0.001>m&&(m=0.001),o[i]=g/m,d[i]=f/m);a=XG(o[1],d[1],o[2],d[2]);0<l[3]?(b= -XG(o[2],d[2],o[3],d[3]),d=XG(o[1],d[1],o[3],d[3]),0<a&&0<b?(h[1]=l[1],h[2]=l[2],h[3]=l[3]):0<d&&0>b?(h[1]=l[1],h[2]=l[3],h[3]=l[2]):0>a&&0<d?(h[1]=l[2],h[2]=l[1],h[3]=l[3]):0<b&&0>d?(h[1]=l[2],h[2]=l[3],h[3]=l[1]):0>d&&0<a?(h[1]=l[3],h[2]=l[1],h[3]=l[2]):0>b&&0>a&&(h[1]=l[3],h[2]=l[2],h[3]=l[1])):0<a?(h[1]=l[1],h[2]=l[2]):(h[1]=l[2],h[2]=l[1]);h[0]=c;return h} -function $(a,b){var c,d,e,f,g,i,h,l;DG(a);switch(a.y[a.C]){case 0:a.I[a.s]=a.I[a.C]+21.65*a.k.A;a.L[a.s]=a.L[a.C]+12.5*a.k.A;break;case 1:c=a.F[a.C][1];d=0;2==a.y[c]&&(a.F[c][1]==a.C?d=a.F[c][2]:d=a.F[c][1]);e=a.I[a.C]-a.I[c];f=a.L[a.C]-a.L[c];i=Math.sqrt(e*e+f*f);0.001>i&&(i=0.001);f/=i;e/=i;h=i+25*a.k.A*Math.cos(1.0471975511965976);l=25*a.k.A*Math.sin(1.0471975511965976);g=YG(a,a.C,c);if(3==a.r[g]||204==a.k.b||1!=a.r[g]&&(203==a.k.b||204==a.k.b)||a.o)h=i+25*a.k.A,l=0;0<d&&0<(a.L[d]-a.L[c])*e-(a.I[d]- -a.I[c])*f&&(l=-l);0<b&&0>l?l=-l:0>b&&0<l&&(l=-l);a.I[a.s]=a.I[c]+h*e-l*f;a.L[a.s]=a.L[c]+l*e+h*f;break;case 2:c=v(zF,k,-1,2,1);ZG(a,a.C,25*a.k.A,c);a.I[a.s]=c[0];a.L[a.s]=c[1];break;case 3:case 4:case 5:for(g=1;g<=a.y[a.C]&&!(c=a.F[a.C][g],e=a.I[a.C]-a.I[c],f=a.L[a.C]-a.L[c],i=Math.sqrt(e*e+f*f),0.001>i&&(i=0.001),a.I[a.s]=a.I[a.C]+25*a.k.A*e/i,a.L[a.s]=a.L[a.C]+25*a.k.A*f/i,0==FG(a,a.s)||g==a.y[a.C]);++g);break;default:--a.s;vr(a.k,"Are you trying to draw an hedgehog ?");a.k.N=9;return}a.y[a.s]= -1;++a.y[a.C];IG(a);a.r[a.t]=1;203==a.k.b&&(a.r[a.t]=2);204==a.k.b&&(a.r[a.t]=3);a.G[a.t]=a.C;a.H[a.t]=a.s;201==a.k.b&&CG(a,a.t);a.F[a.s][1]=a.C;a.F[a.C][a.y[a.C]]=a.s;a.J[a.t]=L(K(vE((a.I[a.C]+a.I[a.s])/2)));a.M[a.t]=L(K(vE((a.L[a.C]+a.L[a.s])/2)));a.K=a.I[a.s];a.N=a.L[a.s]} -function AG(a,b){var c;a.E=a.C;c=0;if(233==a.k.b||237==a.k.b||236==a.k.b||239==a.k.b||251==a.k.b||252==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.o=!1,a.C=a.s-1,$(a,0),a.C=a.s-2,$(a,0),237==a.k.b&&(a.b[a.s]=10,a.b[a.s-1]=10,a.b[a.s-2]=10),236==a.k.b&&(a.b[a.s]=9,a.b[a.s-1]=9,a.b[a.s-2]=9),239==a.k.b&&(a.b[a.s]=5,a.b[a.s-1]=5,a.b[a.s-2]=5,a.b[a.s-3]=8,a.r[a.t]=2,a.r[a.t-1]=2),252==a.k.b&&(a.b[a.s]=5,a.b[a.s-1]=5,a.b[a.s-2]=4,a.b[a.s-3]=8,a.r[a.t]=2,a.r[a.t-1]=2),251==a.k.b&&(a.b[a.s]=5,a.b[a.s-1]=5,a.b[a.s- -2]=5,a.b[a.s-3]=7,a.r[a.t]=2),c=4;else if(244==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.b[a.s]=8,a.C=a.s,a.o=!0,$(a,0),a.o=!1,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,a.C=a.s-2,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=5;else if(234==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,a.k.vb&&yG(a,a.C,1),$(a,0),a.b[a.s]=5,a.r[a.t]=2,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.k.vb?(a.r[a.t]=1,yG(a,a.s,-1)):a.r[a.t]=2,c=3;else if(235==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(240==a.k.b)$(a,0),a.C= -a.s,$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s-2,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=4;else if(260==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=4,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(261==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(241==a.k.b)$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=4;else if(243==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),c=3;else if(238==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.r[a.t]= -3,a.o=!1,c=2;else if(249==a.k.b)$(a,0),a.C=a.s,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=2;else if(250==a.k.b)$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=1;else if(245==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.C=a.s,a.r[a.t]=3,$(a,0),a.o=!1,c=3;else if(242==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.r[a.t]=3,a.b[a.s]=4,a.o=!1,c=2;else if(254==a.k.b)$(a,0),a.b[a.s]=9,c=1;else if(255==a.k.b)$(a,0),a.b[a.s]=10,c=1;else if(256==a.k.b)$(a,0),a.b[a.s]=11,c=1;else if(257==a.k.b)$(a,0),a.b[a.s]=12,c=1;else if(258==a.k.b)$(a,0),a.b[a.s]=4, -c=1;else if(259==a.k.b)$(a,0),a.b[a.s]=5,c=1;else if(246==a.k.b)$(a,0),a.C=a.s,$(a,0),c=2;else if(247==a.k.b)$(a,0),a.C=a.s,$(a,0),a.C=a.s,$(a,0),c=3;else if(248==a.k.b)$(a,0),a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.C=a.s,$(a,0),c=4;else if(253==a.k.b){var d,e,f,g,i,h,l,m,o,n,q;if(a.k.Jb){c=0;m=a.k.Jb;for(l=1;l<=m.x;++l)d=m.p[l][0],1==m.p[l][1]&&(c=d);d=a.s;l=a.C;$(a,0);e=a.I[a.s];g=a.L[a.s];nG(a,a.s);e=a.I[l]-e;g=a.L[l]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=m.s;++h)DG(a),a.b[a.s]=m.b[h],a.z[a.s]=m.z[h], -a.w[a.s]=m.w[h],a.I[a.s]=m.I[h],a.L[a.s]=m.L[h];for(h=1;h<=m.t;++h)IG(a),a.G[a.t]=m.G[h]+d,a.H[a.t]=m.H[h]+d,a.r[a.t]=m.r[h];TD(a);a.C=c+d;$(a,0);m=a.I[a.s];n=a.L[a.s];nG(a,a.s);f=a.I[c+d]-m;i=a.L[c+d]-n;h=Math.sqrt(f*f+i*i);i/=h;f/=h;for(h=d+1;h<=a.s;++h)a.I[h]-=m,a.L[h]-=n,o=a.I[h]*f+a.L[h]*i,q=a.L[h]*f-a.I[h]*i,a.I[h]=o,a.L[h]=q,o=-a.I[h]*e+a.L[h]*g,q=-a.L[h]*e-a.I[h]*g,a.I[h]=o,a.L[h]=q,a.I[h]+=a.I[l],a.L[h]+=a.L[l];IG(a);a.G[a.t]=l;a.H[a.t]=c+d;TD(a);b&&(nG(a,l),BF(a))}c=4}$G(a,c);a.C=a.E;b&& -(a.C=0)} -function ZG(a,b,c,d){var e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function zG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])aH(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,aH(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){vr(a.k,"ERROR - cannot add aromatic spiro ring !");a.k.N=9; -return}for(d=1;d<=a.y[a.C];++d)if(b=a.r[YG(a,a.C,a.F[a.C][d])],2<d||1!=b){vr(a.k,"ERROR - spiro ring not possible here !");a.k.N=9;return}b=v(zF,k,-1,2,1);ZG(a,a.C,h,b);e=a.I[a.C]-b[0];g=a.L[a.C]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)DG(a),o=f*d+1.5707963267948966,a.I[a.s]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*g)}else if(0<a.D){b=a.G[a.D];c=a.H[a.D];d=0;2==a.y[b]?a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]:2==a.y[c]&&(a.F[c][1]!= -b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]);e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(q=-q,m=0);n=a.I[b]+o*e-q*g;q=a.L[b]+q*e+o*g;for(d=1;d<=i;++d)DG(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)DG(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)IG(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&& -(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f=1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[YG(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f], -1<a.r[YG(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2;a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(H,r,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=L(K(vE((a.I[b]+a.I[e])/2))),a.M[c]=L(K(vE((a.L[b]+a.L[e])/ -2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;IG(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=L(K(vE((a.I[a.G[a.t]]+a.I[a.H[a.t]])/ -2)));a.M[a.t]=L(K(vE((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]?(IG(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=L(K(vE((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K(vE((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(IG(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=L(K(vE((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K(vE((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0< -h[f]&&(nG(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b];for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&$G(a,i);-1<l&&(a.C=l)} -function aH(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)DG(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function $G(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=FG(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)} -function YG(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function bH(a,b,c){var d,e,f,g;e=gh;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(Ot(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)Ot(c[d])&&!Ct(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)It(c[d],e)&&(b[d]=g,c[d]=gh,++f);if(f==a.s)break}return g==a.s} -function BF(a){var b,c,d;b=v(zF,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{AF(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;CF(a)}} -function AF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function yG(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=cH(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&vr(a.k,"Charge change not possible on this boron !");0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?vr(a.k,"Charge change not possible on this carbon !"):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?vr(a.k,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break;case 5:case 8:case 13:2<d?vr(a.k,"Charge change not possible on multibonded O or S !"):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:vr(a.k,"Charge change not possible on the halogen !");break;case 18:vr(a.k, -"Use X button to change charge on the X atom !")}} -function eG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(H,r,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(H,r,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&nG(a,c);BF(a);vr(a.k,"Smaller part(s) removed !");return 1} -function FG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function JG(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];pG(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),pG(a));4==a.r[d]&&(a.r[d]=1)}} -function XG(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 TD(a){var b;dH(a);b=a.r.length;a.J=v(H,r,-1,b,1);a.M=v(H,r,-1,b,1);CF(a);pG(a)} -function DG(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(H,r,-1,c,1),FE(a.b,b,a.b.length),a.b=b,b=v(H,r,-1,c,1),FE(a.z,b,a.z.length),a.z=b,b=v(H,r,-1,c,1),FE(a.w,b,a.w.length),a.w=b,b=v(H,r,-1,c,1),FE(a.d,b,a.d.length),a.d=b,b=v(mt,k,1,c,0),FE(a.c,b,a.c.length),a.c=b,b=v(mt,k,1,c,0),FE(a.n,b,a.n.length),a.n=b,b=v(zF,k,-1,c,1),FE(a.I,b,a.I.length),a.I=b,b=v(zF,k,-1,c,1),FE(a.L,b,a.L.length),a.L=b,b=bt([c,7]),FE(a.F,b,a.F.length),a.F=b,c=v(H,r,-1,c,1),FE(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function YF(a,b,c,d,e,f){var g;g=L(K(vE(a.I[b]-c/2)));f||(g-=d-c);a=L(K(vE(a.L[b]-~~(e/2))));return new Ez(g-1-2,a-2,d+1+4,e+4)} -function IG(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(H,r,-1,b,1),FE(a.G,c,a.G.length),a.G=c,c=v(H,r,-1,b,1),FE(a.H,c,a.H.length),a.H=c,c=v(H,r,-1,b,1),FE(a.r,c,a.r.length),a.r=c,c=v(H,r,-1,b,1),FE(a.A,c,a.A.length),a.A=c,c=v(H,r,-1,b,1),FE(a.J,c,a.J.length),a.J=c,c=v(H,r,-1,b,1),FE(a.M,c,a.M.length),a.M=c,b=v(mt,k,1,b,0),FE(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function tG(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(iF(),aa);i+="JME 2013-04-10 "+new TE+"\n \n";i+=sG(a.s,3)+sG(a.t,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=LG(0.055999999999999994*(a.I[e]-c),10,4)+LG(0.055999999999999994*(g-a.L[e]),10,4)+LG(0,10,4);h=XF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&&(d=4-a.z[e]);h=" 0"+sG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=sG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:eH(a,e)&&(g=2),c=sG(a.G[e],3)+sG(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=sG(a.H[e],3)+sG(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=sG(a.H[e],3)+sG(a.G[e],3)),i+=c+sG(g,3)+sG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+="M CHG 1"+sG(e,4)+sG(a.z[e],4)+aa);return i+"M END\n"} -function MG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,O,X,ca,M,fc,Ac,Tf,ub,Jd,Kd,Ld,kb,Bc;o=v(H,r,-1,a.s+10,1);n=v(H,r,-1,a.s+10,1);l=v(H,r,-1,a.s+1,1);m=v(H,r,-1,7,1);ub=v(H,r,-1,a.s+1,1);w=v(fH,k,-1,a.s+1,2);G=v(fH,k,-1,a.t+1,2);fc=0;if(0==a.s)return j;eG(a,!0);Tf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Tf=!1;break}if(a.k.r&&Tf){gH(a);JG(a);hH(a,G);iH(a,w,G);var Ab,nd,Xe,Yb,re,od,pd,eb,aI,Nd,t,wa,Dm,Em,ws,df,La,Fm,Gm,Ec,Hm;Ab=v(H,r,-1,a.s+1,1);nd=v(H,r,-1,a.s+1,1);eb=v(jH,k,-1,a.s+1,3);var xs=a.s,Im, -kh,ys,eg,uj,ye,ef;uj=v(jH,k,-1,xs+2,3);ye=v(H,r,-1,100,1);ef=5;eg=0;ye[0]=3;uj[1]=ih;uj[2]=jh;ys=2;if(!(3>xs))for(;ef<ye[eg]*ye[eg];){kh=0;for(Im=!0;Im&&kh<=eg&&ef>=ye[kh]*ye[kh];)0==ef%ye[kh]?Im=!1:++kh;if(Im){uj[++ys]=Lt(ef);if(ys>=xs)break;eg<ye.length-1&&(++eg,ye[eg]=ef)}ef+=2}for(t=1;t<=a.s;++t){for(wa=Gm=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(Gm*=a.f[wa]);Fm=a.b[t];18==Fm&&(Hm=a.n[t],od=Hm.charCodeAt(0)-65+1,pd=0,1<Hm.length&&(pd=Hm.charCodeAt(1)-97),0>od&&(od=0),0>pd&&(pd=0),Fm=28*od+pd); -df=0;-2>a.z[t]?df=1:-2==a.z[t]?df=2:-1==a.z[t]?df=3:1==a.z[t]?df=4:2==a.z[t]?df=5:2<a.z[t]&&(df=6);Ec=1;eb[t]=Lt(Gm);Ec*=126;eb[t]=Gt(eb[t],Lt(a.w[t]*Ec));Ec*=7;eb[t]=Gt(eb[t],Lt(df*Ec));Ec*=7;eb[t]=Gt(eb[t],Lt(Fm*Ec));Ec*=783;eb[t]=Gt(eb[t],Lt(a.y[t]*Ec))}for(re=0;!bH(a,Ab,eb);){ws=!1;for(t=1;t<=a.s;++t)Ab[t]!=nd[t]&&(nd[t]=Ab[t],ws=!0);if(ws){for(t=1;t<=a.s;++t){eb[t]=hh;for(wa=1;wa<=a.y[t];++wa)eb[t]=Pt(eb[t],uj[Ab[a.F[t][wa]]])}re=0}else if(0<re){for(t=1;t<=a.s;++t)eb[t]=hh;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Ab[t]==Ab[wa]){eb[t]=ih;break a}}else{for(t=1;t<=a.s;++t){eb[t]=hh;for(wa=1;wa<=a.y[t];++wa)Xe=a.F[t][wa],eb[t]=Pt(eb[t],Lt(a.b[Xe]*a.f[YG(a,t,Xe)]))}re=1}bH(a,Ab,eb);for(t=1;t<=a.s;++t)eb[t]=Lt(nd[t]*a.s+Ab[t])}for(t=1;t<=a.s;++t)nd[t]=Ab[t];for(La=1;La<=a.s;++La)for(t=1;t<=a.s;++t)if(nd[t]==La){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[La];a.z[t]=a.z[La];a.I[t]=a.I[La];a.L[t]=a.L[La];a.y[t]=a.y[La];a.b[La]=a.b[0];a.z[La]=a.z[0]; -a.I[La]=a.I[0];a.L[La]=a.L[0];a.y[La]=a.y[0];nd[t]=nd[La];nd[La]=La;a.n[0]=a.n[t];a.n[t]=a.n[La];a.n[La]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[La];a.d[La]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[La];a.c[La]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[La];a.w[La]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Ab[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Ab[a.G[t]],a.H[t]=Ab[a.H[t]],a.G[t]>a.H[t]&&(Nd=a.G[t],a.G[t]=a.H[t],a.H[t]=Nd,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){Em=Dm= -a.s;Yb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<Dm?(Dm=a.G[wa],Em=a.H[wa],Yb=wa):a.G[wa]==Dm&&a.H[wa]<Em&&(Em=a.H[wa],Yb=wa);Nd=a.G[t];a.G[t]=a.G[Yb];a.G[Yb]=Nd;Nd=a.H[t];a.H[t]=a.H[Yb];a.H[Yb]=Nd;Nd=a.r[t];a.r[t]=a.r[Yb];a.r[Yb]=Nd;Nd=a.A[t];a.A[t]=a.A[Yb];a.A[Yb]=Nd;aI=a.e[t];a.e[t]=a.e[Yb];a.e[Yb]=aI}TD(a);pG(a);hH(a,G);iH(a,w,G)}else{hH(a,G);a.f=v(H,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)a.f[q]=a.r[q]}c=1;a.a=v(H,r,-1,a.s+1,1);Bc=1;a.a[1]=1;for(ca=0;;){M=0;for(q=1;q<=a.y[c];++q)if(g=a.F[c][q],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=ub[c]){Ac=!0;for(J=1;J<=fc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Ac=!1;break}Ac&&(++fc,o[fc]=c,n[fc]=g)}}else m[++M]=g;if(0==M){if(Bc==a.s)break;c=l[ca--]}else if(1==M)ub[m[1]]=c,c=m[1],a.a[c]=++Bc;else{l[++ca]=c;e=0;for(q=1;q<=M;++q)if(h=YG(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=YG(a,m[q],c),2==a.f[h]||3==a.f[h]){e=m[q];break}0==e&&(e=m[1]);ub[e]=c;c=e;a.a[e]=++Bc}}ub=v(H,r,-1,a.s+1,1);b=v(H,r,-1,a.s+1,1);O=v(fH,k,-1,a.s+1,2);Jd=v(fH,k,-1,a.s+1,2);f=Bc=ca=0; -for(q=1;q<=a.s;++q)if(1==a.a[q]){c=q;break}a:for(;;){0<f&&(ub[c]=f);b[++Bc]=c;for(a.a[c]=0;;){M=e=0;X=a.s+1;q=1;b:for(;q<=a.y[c];++q){g=a.F[c][q];for(A=1;A<=fc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.a[g]&&(++M,a.a[g]<X&&(e=g,X=a.a[g]))}if(0==e){if(0==ca)break a;Jd[c]=!0;c=l[ca--]}else break}f=c;c=e;1<M&&(l[++ca]=f,O[e]=!0)}Kd=v(H,r,-1,a.t+1,1);Ld=v(H,r,-1,a.s+1,1);if(a.k.Ib){var cI=ub,eM=fc,zs,dI,lh,ze,As,Bs,Ka,vj,Cs;lh=v(H,r,-1,a.s+1,1);for(Ka=1;Ka<=a.s;++Ka)lh[b[Ka]]=Ka;As=v(fH, -k,-1,a.t+1,2);for(Ka=1;Ka<=a.s;++Ka)zs=b[Ka],dI=cI[zs],ze=YG(a,zs,dI),0!=ze&&(kH(a,ze,lh,Kd,G),As[ze]=!0);for(Ka=1;Ka<=a.t;++Ka)As[Ka]||kH(a,Ka,lh,Kd,G);Ka=1;a:for(;Ka<=a.s;++Ka)if(!(2>a.y[Ka]||4<a.y[Ka])){Bs=Cs=0;for(vj=1;vj<=a.y[Ka];++vj){ze=YG(a,Ka,a.F[Ka][vj]);if(5==a.f[ze])continue a;1==a.r[ze]&&0!=lH(a,ze,Ka)&&++Cs;2==a.r[ze]&&(Bs=a.F[Ka][vj])}if(0!=Cs)if(0<Bs){var ha=a,fI=Ka,ff=lh,Rc=Ld,hc=void 0,wj=void 0,Fc=void 0,Ae=void 0,Gc=void 0,Jm=void 0,Km=void 0,Lm=void 0,Od=void 0,Sc=void 0,Tc=void 0, -Ds=void 0,xj=void 0,Pd=void 0,yj=void 0,Be=void 0,zj=void 0,Es=void 0,Aj=void 0,Ce=void 0,gI=void 0,gf=void 0,hI=void 0,Fs=void 0,Bj=void 0,hf=void 0,Tc=1,wj=fI,hc=v(H,r,-1,ha.s+1,1);for(hc[1]=fI;;){Ds=!1;for(Sc=1;Sc<=ha.y[wj];++Sc)if(Fc=ha.F[wj][Sc],!(Fc==hc[1]||Fc==hc[Tc-1]))if(Ae=YG(ha,wj,Fc),2==ha.r[Ae]&&5!=ha.f[Ae]){wj=hc[++Tc]=Fc;Ds=!0;break}if(!Ds)break}if(!(0==Tc%2||2>ha.y[hc[Tc]]||3<ha.y[hc[Tc]])){hf=hc[1];Gc=hc[~~((Tc+1)/2)];Od=hc[Tc];gf=Ce=Be=Pd=0;Fs=Es=!1;for(Sc=1;Sc<=ha.y[hf];++Sc)Fc= -ha.F[hf][Sc],Ae=YG(ha,hf,Fc),1!=ha.r[Ae]||5==ha.f[Ae]||(0==Pd?Pd=Fc:Be=Fc);0<ff[Be]&&ff[Pd]>ff[Be]&&(Jm=Pd,Pd=Be,Be=Jm);xj=Pd;0==Pd&&(xj=Be,Es=!0);for(Sc=1;Sc<=ha.y[Od];++Sc)Fc=ha.F[Od][Sc],Ae=YG(ha,Od,Fc),1!=ha.r[Ae]||5==ha.f[Ae]||(0==Ce?Ce=Fc:gf=Fc);0<ff[gf]&&ff[Ce]>ff[gf]&&(Jm=Ce,Ce=gf,gf=Jm);Aj=Ce;0==Ce&&(Aj=gf,Fs=!0);yj=lH(ha,YG(ha,hf,Pd),hf);zj=lH(ha,YG(ha,hf,Be),hf);gI=lH(ha,YG(ha,Od,Ce),Od);hI=lH(ha,YG(ha,Od,gf),Od);1<(0>yj+zj?-(yj+zj):yj+zj)||0!=gI||0!=hI?vr(ha.k,"Bad stereoinfo on allene !"): -(Km=ha.I[hc[Tc-1]]-ha.I[Od],Lm=ha.L[hc[Tc-1]]-ha.L[Od],Bj=Math.sqrt(Km*Km+Lm*Lm),0.001>Bj&&(Bj=0.001),0<(ha.L[Aj]-ha.L[hc[Tc-1]])*(Km/Bj)-(ha.I[Aj]-ha.I[hc[Tc-1]])*(Lm/Bj)?Rc[Gc]=1:Rc[Gc]=-1,Es&&(Rc[Gc]*=-1),Fs&&(Rc[Gc]*=-1),xj==Pd&&0>yj&&(Rc[Gc]*=-1),xj==Be&&0>zj&&(Rc[Gc]*=-1),ff[xj]>ff[Aj]&&(Rc[Gc]*=-1))}}else b:{var ic=a,jc=Ka,fM=cI,gM=lh,hM=o,iM=n,jM=eM,Mm=Ld,Nm=void 0,Uc=void 0,Gs=void 0,mh=void 0,ya=void 0,nh=void 0,rd=void 0,Cj=void 0,Qd=void 0,Nb=void 0,ea=void 0,Cb=void 0,De=void 0,Om=void 0, -Vc=void 0,ma=void 0,Pm=void 0,Cb=v(H,r,-1,4,1),Om=v(H,r,-1,4,1),oh=ic,Rd=jc,iI=gM,Hs=fM,jI=hM,kI=iM,kM=jM,Db=Cb,Dj=void 0,Wc=void 0,Qm=void 0,Rm=void 0,Is=void 0,Ej=void 0,Ej=-1;0<Hs[Rd]&&(Db[++Ej]=Hs[Rd]);for(Wc=1;Wc<=kM;++Wc)jI[Wc]==Rd&&(Db[++Ej]=kI[Wc]),kI[Wc]==Rd&&(Db[++Ej]=jI[Wc]);for(Wc=Ej+1;Wc<oh.y[Rd];++Wc){Is=oh.s+1;Qm=1;c:for(;Qm<=oh.y[Rd];++Qm){Dj=oh.F[Rd][Qm];for(Rm=0;Rm<Wc;++Rm)if(Dj==Db[Rm])continue c;iI[Dj]<Is&&(Is=iI[Dj],Db[Wc]=Dj)}}0==Hs[Rd]&&0<oh.w[Rd]?(Db[3]=Db[2],Db[2]=Db[1],Db[1]= -Db[0],Db[0]=-1):0<oh.w[Rd]&&(Db[3]=Db[2],Db[2]=Db[1],Db[1]=-1);for(ya=Cj=nh=mh=Pm=rd=Nb=0;4>ya;++ya)0>=Cb[ya]||(Nm=YG(ic,jc,Cb[ya]),Om[ya]=lH(ic,Nm,jc),0<Om[ya]?(++Nb,Pm=Cb[ya],nh=Cb[ya]):0>Om[ya]?(++rd,mh=Cb[ya],nh=Cb[ya]):Cj=Cb[ya]);Qd=Nb+rd;ma=v(H,r,-1,4,1);Vc=0;if(3==ic.y[jc]){if(1==Nb&&1==rd||3==Qd&&0<Nb&&0<rd){vr(ic.k,"Error in C3H stereospecification !");break b}De=Cb[0];1==Qd?De=nh:2==Qd&&(De=Cj);ea=WG(ic,jc,De,Cb);ma[0]=nh;ma[1]=-1;ma[2]=ea[2];ma[3]=ea[1];0<Nb?Vc=1:Vc=-1}else if(4==ic.y[jc])if(1== -Qd)ea=WG(ic,jc,nh,Cb),ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],0<Nb?Vc=1:Vc=-1;else{De=Cb[0];1<Cj&&(De=Cj);1==Nb?De=Pm:1==rd&&(De=mh);ea=WG(ic,jc,De,Cb);Uc=v(H,r,-1,4,1);for(ya=0;4>ya;++ya)Nm=YG(ic,jc,ea[ya]),Uc[ya]=lH(ic,Nm,jc);if(4==Qd){if(0==Nb||0==rd){vr(ic.k,"Error in C4 stereospecification !");break b}if(1==Nb||1==rd)ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],Vc=Uc[0];else{for(ya=0;4>ya;++ya)-1==Uc[ya]&&(Uc[ya]=0);Qd=2}}else if(3==Qd)if(3==Nb||3==rd)ma[0]=ea[0],ma[1]=ea[3],ma[2]= -ea[2],ma[3]=ea[1],0<Nb?Vc=-1:Vc=1;else{1==Nb?Nb=Gs=1:rd=Gs=-1;for(ya=0;4>ya;++ya)Uc[ya]==Gs&&(Uc[ya]=0);Qd=2}if(2==Qd)if(1==Nb&&1==rd)ea[1]==mh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==mh&&(ea[2]=ea[3]),ma[0]=Pm,ma[1]=mh,ma[2]=ea[2],ma[3]=ea[1],Vc=1;else{if(Uc[0]==Uc[1]||Uc[1]==Uc[2]){vr(ic.k,"Error in C4 stereospecification ! 2/0r");break b}0!=Uc[0]?(ma[0]=ea[0],ma[1]=ea[2],ma[2]=ea[1],ma[3]=ea[3]):(ma[0]=ea[1],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[0]);1<Nb?Vc=1:Vc=-1}}var V=ma,Fj=Cb,mb=void 0;Fj[0]==V[1]?(mb= -V[0],V[0]=V[1],V[1]=mb,mb=V[2],V[2]=V[3],V[3]=mb):Fj[0]==V[2]?(mb=V[2],V[2]=V[0],V[0]=mb,mb=V[1],V[1]=V[3],V[3]=mb):Fj[0]==V[3]&&(mb=V[3],V[3]=V[0],V[0]=mb,mb=V[1],V[1]=V[2],V[2]=mb);Fj[1]==V[2]?(mb=V[1],V[1]=V[2],V[2]=mb,mb=V[2],V[2]=V[3],V[3]=mb):Fj[1]==V[3]&&(mb=V[1],V[1]=V[3],V[3]=mb,mb=V[2],V[2]=V[3],V[3]=mb);ma[2]==Cb[2]?Mm[jc]=1:ma[2]==Cb[3]?Mm[jc]=-1:vr(ic.k,"Error in stereoprocessing ! - t30");Mm[jc]*=Vc}}}kb=new EE;i=v(H,r,-1,a.s+1,1);for(q=1;q<=a.s;++q)i[b[q]]=q;for(q=1;q<=a.s;++q){c=b[q]; -O[c]&&hn(kb.a,ua);0<ub[q]&&mH(a,c,ub[c],kb,Kd);var ph=w[c],Eb=void 0,Gj=void 0,qh=void 0,S=void 0,S=Oc,Eb=!1;0!=a.z[c]&&(Eb=!0);0!=Ld[c]&&(Eb=!0);qh=-1;for(Gj=1;Gj<=a.x;++Gj)if(a.p[Gj][0]==c){qh=a.p[Gj][1];break}-1<qh&&(Eb=!0);a.k.Hb&&0<a.d[c]&&(Eb=!0,qh=1);switch(a.b[c]){case 2:S=yb;break;case 3:ph?S="c":S=Fb;break;case 4:ph?(S=Af,0<a.w[c]&&(Eb=!0)):S=dc;break;case 5:ph?S="o":S=oc;break;case 7:ph?(S="p",0<a.w[c]&&(Eb=!0)):S=qc;break;case 8:ph?S=lg:S=Dc;break;case 13:ph?S=og:S=Ic;Eb=!0;break;case 6:S= -Jc;Eb=!0;break;case 9:S=Qb;break;case 10:S=Jb;break;case 11:S=Bb;break;case 12:S=Wb;break;case 1:S=Ub;Eb=!0;break;case 19:S=rc;Eb=!0;break;case 20:S=sc;Eb=!0;break;case 21:S=tc;Eb=!0;break;case 22:S=uc;Eb=!0;break;case 18:Eb=!0,S=a.n[c],(D(S,xa)||D(S,Zc)||D(S,tb))&&(Eb=!1)}Eb&&(S=Pc+S,1==Ld[c]?S+=sb:-1==Ld[c]&&(S+="@@"),1==a.w[c]?S+=Ub:1<a.w[c]&&(S+=Ub+a.w[c]),0!=a.z[c]&&(0<a.z[c]?S+=za:S+=Ca,1<Qj(a.z[c])&&(S+=Qj(a.z[c]))),-1<qh&&(S+=jb+qh),S+=Xc);hn(kb.a,S);for(A=1;A<=fc;++A)if(o[A]==c||n[A]==c)d= -n[A],d==c&&(d=o[A]),i[c]<i[d]&&mH(a,o[A],n[A],kb,Kd),9<A&&hn(kb.a,"%"),jn(kb,j+(new R(A)).a);Jd[c]&&hn(kb.a,va)}return Xn(kb.a)} -function nG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)KD(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function oG(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&nG(a,c);0==a.y[d]&&nG(a,d)} -function gH(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=YG(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&nG(a,c)}}}function dH(a){var b;b=a.b.length;a.F=bt([b,7]);a.y=v(H,r,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function iH(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(H,r,-1,a.t+1,1);o=v(fH,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[YG(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:eH(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(fH,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function CF(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=L(K(vE((a.I[b]+a.I[c])/2))),a.M[d]=L(K(vE((a.L[b]+a.L[c])/2)))}function hH(a,b){var c;for(c=1;c<=a.t;++c)ZF(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function XF(a,b){var c;c=(iF(),wD)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function eH(a,b){return 2==a.r[b]?!0:!1}function ZF(a,b,c){var d,e,f,g;g=1;a.a=v(H,r,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function BG(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=bt([b+5,2]),FE(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function uD(a){var b;a.x=0;a.q=0;MG(a);for(b=1;b<=a.s;++b)a.C=b,BG(a);a.C=0} -function mG(a){var b,c;b=v(zF,k,-1,4,1);AF(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function vF(a,b){var c,d,e,f,g,i,h,l;c=v(zF,k,-1,4,1);AF(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;AF(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function KG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function rG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Pc)&&xE(c,Xc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(nb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(jb);e=c.indexOf(Ub);g=Pj(c.indexOf(za),c.indexOf(Ca));if(-1<d){i=Dv(c,d+1);try{a.k.x=GC(i,10)}catch(h){if(h=Ji(h),y(h,74))a.k.x=0;else throw h;}a.C=b;BG(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=D(d,Fb)?3:D(d,yb)?2:D(d,dc)?4:D(d,oc)?5:D(d,qc)?7:D(d,Dc)?8:D(d,Qb)?9:D(d,Jb)?10:D(d,Bb)?11:D(d,Wb)?12:D(d,Ub)?1:D(d,Ic)?13:D(d,Jc)?6:D(d,rc)?19:D(d,sc)?20:D(d,tc)?21:D(d,uc)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ba;d=0;0<e&&(d=1,e=wE(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=wE(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=wE(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=wE(c,g++);for(;45==e;)--d,e=wE(c,g++)}a.z[b]=d}}} -function zD(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new $C(b);try{for(;b.j=TC(b,b.a),b.j<b.i;)d=rE(GC(WC(b),10)).a,c=e=rE(GC(WC(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Ji(f),y(f,74))fn(f);else throw f;}}function mH(a,b,c,d,e){b=YG(a,b,c);5!=a.f[b]&&eH(a,b)?hn(d.a,pb):3==a.r[b]?hn(d.a,la):9==a.r[b]?(e=rb,a=a.e[b],null!=a&&(e=a),hn(d.a,e)):1==e[b]?hn(d.a,Xa):-1==e[b]&&hn(d.a,Qc)} -function CG(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,vr(a.k,"Stereomarking meaningless on this bond !");else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:vr(a.k,"Stereomarking allowed only on single and double bonds!")} -function kH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=YG(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=YG(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=YG(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=YG(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,q=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))vr(a.k,"Not unique E/Z geometry !");else{i=YG(a,b,e);f=YG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=YG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function cH(a,b){var c,d,e;e=0;for(d=1;d<=a.y[b];++d)if(c=YG(a,b,a.F[b][d]),1==a.r[c])e+=1;else if(eH(a,c))e+=2;else if(3==a.r[c])e+=3;else if(9==a.r[c])return-1;return e}function lH(a,b,c){var d;d=a.A[b];return 1>d||4<d?0:1==d&&a.G[b]==c?1:2==d&&a.G[b]==c?-1:3==d&&a.H[b]==c?1:4==d&&a.H[b]==c?-1:0} -function pG(a){var b;for(b=1;b<=a.s;++b){var c=a,d=b,e=void 0,e=cH(c,d);if(-1==e)c.w[d]=0;else{switch(c.b[d]){case 1:2==e?c.z[d]=1:c.z[d]=0;c.w[d]=0;break;case 2:3==e||5==e?(c.w[d]=0,c.z[d]=0):3>e?c.w[d]=3-e-c.z[d]:4==e?(c.z[d]=-1,c.w[d]=0):5<e&&(c.z[d]=e-5,c.w[d]=0);break;case 3:case 6:4>e?0<c.z[d]?c.w[d]=2-e+c.z[d]:0>c.z[d]?c.w[d]=2-e-c.z[d]:c.w[d]=4-e:(c.z[d]=e-4,c.w[d]=4-e+c.z[d]);break;case 4:case 7:3>e?c.w[d]=3-e+c.z[d]:3==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:(c.z[d]= -4==e?1:6==e?-1:e-5,c.w[d]=0);break;case 5:2==e&&(0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0);2<e&&(c.z[d]=e-2);c.w[d]=2-e+c.z[d];break;case 8:case 13:2>e?c.w[d]=2-e+c.z[d]:2==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:3==e?2==c.y[d]?(c.z[d]=0,c.w[d]=1):(c.z[d]=1,c.w[d]=0):4==e?(c.z[d]=0,c.w[d]=0):5==e?(c.z[d]=0,c.w[d]=1):(c.z[d]=e-6,c.w[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.z[d]=e-1);c.w[d]=1-e+c.z[d];2<e&&(c.z[d]=0,c.w[d]=0);break;case 19:case 18:c.w[d]= -0}0>c.w[d]&&(c.w[d]=0)}}}function DF(a){VG(this);this.k=a;this.x=this.t=this.s=0} -function dG(a,b){var c,d,e,f,g,i,h;DF.call(this,a);f=j;i=bG(b);if(null!=i){h=new ZC(b,i,!0);for(e=1;4>=e;++e)f=cG(h,i);g=rE(GC(Tn(f.substr(0,3)),10)).a;c=rE(GC(Tn(f.substr(3,3)),10)).a;for(e=1;e<=g;++e)DG(this),f=cG(h,i),this.I[e]=(new qE(nE(Tn(f.substr(0,10))))).a,this.L[e]=-(new qE(nE(Tn(f.substr(10,10))))).a,d=34,34>f.length&&(d=f.length),d=Tn(f.substr(31,d-31)),rG(this,e,d),62<=f.length&&(f=Tn(f.substr(60,3)),0<f.length&&(f=rE(GC(f,10)).a,0<f&&(this.C=e,a.x=f,BG(this),this.C=0)));for(e=1;e<=c;++e)IG(this), -f=cG(h,i),this.G[e]=rE(GC(Tn(f.substr(0,3)),10)).a,this.H[e]=rE(GC(Tn(f.substr(3,3)),10)).a,g=rE(GC(Tn(f.substr(6,3)),10)).a,1==g?this.r[e]=1:2==g?this.r[e]=2:3==g?this.r[e]=3:this.r[e]=9,d=0,11<f.length&&(d=rE(GC(Tn(f.substr(9,3)),10)).a),1==g&&1==d&&(this.r[e]=1,this.A[e]=1),1==g&&6==d&&(this.r[e]=1,this.A[e]=2);dH(this);KG(this);BF(this);for(TD(this);(h.j=TC(h,h.a),h.j<h.i)&&!(null==(f=WC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new YC(f);WC(g);WC(g);i=rE(GC(WC(g),10)).a; -for(e=1;e<=i;++e)c=rE(GC(WC(g),10)).a,this.z[c]=rE(GC(WC(g),10)).a}if(0==f.indexOf("M APO")){g=new YC(f);WC(g);WC(g);i=rE(GC(WC(g),10)).a;for(e=1;e<=i;++e)c=rE(GC(WC(g),10)).a,f=rE(GC(WC(g),10)).a,this.C=c,$(this,0),rG(this,this.s,rc+f),this.C=0}}gH(this);TD(this)}} -function SD(a,b){var c,d,e,f,g;DF.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));xE(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.s=0;else{try{f=new YC(b);d=rE(GC(WC(f),10)).a;e=rE(GC(WC(f),10)).a;for(c=1;c<=d;++c)g=WC(f),DG(this),rG(this,this.s,g),this.I[c]=(new qE(nE(WC(f)))).a,this.L[c]=-(new qE(nE(WC(f)))).a;for(c=1;c<=e;++c)if(IG(this),this.G[c]=rE(GC(WC(f),10)).a,this.H[c]=rE(GC(WC(f),10)).a,this.r[c]=rE(GC(WC(f),10)).a,-1==this.r[c])this.r[c]=1,this.A[c]=1;else if(-2==this.r[c])this.r[c]= -1,this.A[c]=2;else if(-5==this.r[c])this.r[c]=2,this.A[c]=10;else if(11==this.r[c]||12==this.r[c]||13==this.r[c]||14==this.r[c])this.A[c]=this.r[c],this.r[c]=9;dH(this);KG(this);BF(this)}catch(i){i=Ji(i);if(y(i,74)){i.wc();this.s=0;return}throw i;}gH(this);TD(this)}} -function fG(a,b,c){var d,e,f;DF.call(this,a);f=v(H,r,-1,b.s+1,1);for(a=1;a<=b.s;++a)b.a[a]==c&&(DG(this),this.b[this.s]=b.b[a],this.I[this.s]=b.I[a],this.L[this.s]=b.L[a],this.z[this.s]=b.z[a],this.w[this.s]=b.w[a],this.d[this.s]=b.d[a],this.c[this.s]=b.c[a],this.n[this.s]=b.n[a],f[a]=this.s);for(a=1;a<=b.t;++a)if(d=b.G[a],e=b.H[a],!(b.a[d]!=c&&b.a[e]!=c)&&!(b.a[d]!=c||b.a[e]!=c))IG(this),this.r[this.t]=b.r[a],this.A[this.t]=b.A[a],this.G[this.t]=f[d],this.H[this.t]=f[e],this.e[this.t]=b.e[a];for(a= -1;a<=b.x;++a)d=b.p[a][0],d==c&&(++this.x,this.p[this.x][0]=f[d],this.p[this.x][1]=b.p[a][1]);this.j=b.j;TD(this);BF(this)} -function uG(a,b,c){var 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-f.n.c&&(ba=g,i=K,A=H,ba.o&&(VE(ba,!1),WE(ba,iF(ba,i,A,5,!0)))),106==f.n.c&&nF(f,f.H[f.E],f.I[f.E]))){ba=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++ba;if(ba>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;X(g,(gA(),nA));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],UE(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(X(e,(gA(),lA)),Y(e,c-1,0,c-1,b-1)):(X(e,uA(ZC)),Y(e,c-1,0,c-1,b-1),X(e,ZC),Y(e,c-2,0,c-2,b-1),X(e,zE),Y(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),X(e,(gA(),qA)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new HA(Wb,0,13),a.W=new wB(a.T),null!=a.bb&&(d=xB(a.W,a.bb),c=L(J(Math.round((c-d)/2))),b-=13,X(e,(gA(),mA)),dF(e,a.T),eF(e,a.bb,c,b)));fF(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function bF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(G,k,-1,9,1);l=v(G,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(VE(b,!1),WE(b,iF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Y(b,h[0],l[0],h[1],l[1]);Y(b,h[2],l[2],h[3],l[3]);Y(b,h[4],l[4],h[5],l[5])}} -function oF(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,ZC);UA(d,0,0,b,c);a.nb?(X(d,(gA(),lA)),c=13*(a.Y+a.S),UE(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,uA(ZC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,zE),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)TE(a,d,b,1),TE(a,d,b,2);a.c=c;fF(a.Ob,a.Lb,0,0)}} -function ZE(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Y(a,i,n,f,h);Y(a,g,n,f,h);i=~~(l/3);Y(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);YE(a,b,c+m-i,f,d-4-i-1,e,h)} -function pF(a,b){var c,d,e,f,g,i,h;dD(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=qF(b);h=new AC(b,g,!0);d=j;for(c=1;5>=c;++c)d=rF(h,g);c=HD(hC(Xn(d.substr(0,3)),10)).b;f=HD(hC(Xn(d.substr(3,3)),10)).b;rF(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=rF(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new sF(a,e)}NE(a,1,c,1);NE(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new sF(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",PC(a),!1;null!=a.i&&a.Z&&VC(a.Z,a.i,!0);null!=a.j&& -a.Z&&VC(a.Z,a.j,!1);g=tF(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new uF(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];NE(a,1,g,0)}PC(a);return!0} -function vF(a,b){var c,d,e,f,g,i,h,l;dD(a);c=f=0;l=new AC(b,"|>",!0);e=-1<b.indexOf(tb);i=1;g=tC(l);a.tb=0;for(d=1;d<=g;++d)if(h=xC(l),Xn(h),!D(h,bh))if(D(h,tb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new hD(a,h);if(0==a.Z.t)return jD(a,"ERROR - problems in reading/processing molecule !"),UB(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return jD(a,"ERROR - strange reaction - fixing !"),UB(),!1;if(3<i)return jD(a,"ERROR - strange reaction !"),UB(),!1;1<a.tb&&!e&&OC(a,xf);e&&!a.Bb&&OC(a,Zf);!e&&a.Bb&& -OC(a,Bf);e?(NE(a,1,f,1),NE(a,f+1,c-1,2),NE(a,c,a.tb,3)):NE(a,1,a.tb,0);PC(a);return!0}function Sq(a,b){a.jb=!0;a.J=b} -function Wq(a,b){var c,d;if(0==b)return!1;LE(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:$C(a);d=a.$;d.b=d.c;d.c.d=null;wF(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;xF(a,uE(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more 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Index is out of range."); -if(!d.b.d)throw new $u(Zb);d.b=d.b.d;xF(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=Tt(d,d.b)):d=null;null==d?(a.jb=!0,a.J=hc):(Sq(a,dc+(a.Db.b+1)+ea+a.Db.d),d=OD(d),WC(a,d,!1),null!=a.rb&&CC(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=Tt(d,d.b)):d=null;null==d?(a.jb=!0,a.J=hc):(Sq(a,dc+(a.Db.b+1)+ea+a.Db.d),d=OD(d),WC(a,d,!1),null!=a.rb&&CC(a.rb,null));break;case 101:a.Gb&&oE(a.Gb);a.Gb=new yF(1,a);a.c=c;break;case 107:!a.zb?a.zb=new zF(a):a.zb.ac.d.hb?AF(a.zb.ac.d): -XC(a.zb);break;case 113:a.b&&oE(a.b);a.b=new yF(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,QC(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=BF(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(OE,r,-1,4,1);PE(a.Z,d);a.lb=!0;a.Z=new EE(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;iD(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,CF(a.Z,a.Z.D),a.Z.D=0,ME(a)):0<a.Z.E&&(a.lb=!0,DF(a.Z,a.Z.E), -a.Z.E=0,ME(a));EF(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new mB;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new fB(c),lB(i,g),g.d=c,Az(g.e,a);zy(a,i);a.E=i}FF(a.E.b,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(oE(a.o),a.o=null);0==a.Z.D&&(a.o=new yF(2,a));a.d= -18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,ME(a)),18==a.d&&(d=ko((Tq(),Uq).ac.b.pb,Ug),GF(a.Z,a.Z.D,d),ME(a)),EF(a.Z))}PC(a);return!0} -function Oq(a){var b,c,d;d=kD(a);c=j;if(a.Bb){var e,f,g;g=ms([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)BF(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(HF(g[1][0],3)+HF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+IF(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+IF(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new JF(a,a.fb,a.tb)),c=IF(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function KF(a,b,c,d){var e;e=c;var f=d,g,i;(g=LF(b),i=0!=(b.f&2),g||i)?(g=a.Bb?(!a.w&&(a.w=LC(a,!0)),a.w):(!a.v&&(a.v=LC(a,!1)),a.v),FF(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=MF(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;13>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=MC+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",PC(a),!0; -if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Wq(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)CF(a.Z,a.Z.D),a.Z.D=0,ME(a);else{if(106==a.c)return!0;if(108==a.c)NF(a.Z,a.Z.D,0),ME(a);else if(157==a.c)NF(a.Z,a.Z.D,1),ME(a);else if(158==a.c)NF(a.Z,a.Z.D,-1),ME(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,Z(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):ME(a);else if(206<= -a.c&&229>=a.c)a.O=2,OF(a.Z),ME(a);else if(230==a.c)a.O=3,ME(a);else if(233<=a.c&&262>a.c)PF(a.Z,!1),ME(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;GF(a.Z,a.Z.D,ko(a.zb.f.ac.b.pb,Ug));ME(a)}else if(105==a.c)QF(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=ko((Tq(),Uq).ac.b.pb,Ug),1>d.length&&(d=Nc),GF(a.Z,a.Z.D,d)),ME(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,OF(a.Z),ME(a);else if(0<a.Z.E)if(104==a.c)DF(a.Z,a.Z.E),a.Z.E= -0,ME(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Sq(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;CF(d,c);d.b[c]=0}a.Z.E=0;ME(a)}else if(201==a.c)RF(a.Z,a.Z.E),ME(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),ME(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,ME(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,ME(a);else if(206<= -a.c&&229>=a.c)a.O=2,OF(a.Z),ME(a);else if(107==a.c){if(!a.zb.c)return!0;d=ko(a.zb.f.ac.b.pb,Ug);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;ME(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new SE(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(SF(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,Z(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c? -(a.Z.L=c,a.Z.O=d,a.O=2,OF(a.Z)):300<a.c?(SF(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=ko((Tq(),Uq).ac.b.pb,Ug),1>d.length&&(d=Nc),GF(a.Z,1,d))):230==a.c?UC(a,null):233<=a.c&&262>a.c?(SF(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,PF(a.Z,!0)):UB();ME(a)}else e=!1;e&&(EF(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,PC(a))}return e} -function TF(a,b,c,d){var e,f;if(a.z||!a.hb||LF(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=UF(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)SF(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)SF(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)XF(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[nG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[nG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(G,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(J(LD((a.J[b]+a.J[e])/2))),a.N[c]=L(J(LD((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;XF(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(J(LD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(J(LD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(XF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(J(LD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(J(LD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(XF(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(J(LD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(J(LD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(CF(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&pG(a,i);-1<l&&(a.D=l)} -function qG(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)SF(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function pG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=UF(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function nG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function rG(a,b,c){var d,e,f,g;e=dh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(lt(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)lt(c[d])&&!$s(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)ft(c[d],e)&&(b[d]=g,c[d]=dh,++f);if(f==a.t)break}return g==a.t} -function QE(a){var b,c,d;b=v(OE,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{PE(a,b);c=~~(c/2)-L(J(Math.round(b[0])));d=~~(d/2)-L(J(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;RE(a)}} -function PE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function NF(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=sG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&Sq(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Sq(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Sq(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Sq(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Sq(a.n,"Charge change not possible on the halogen !");break;case 18:Sq(a.n, -"Use X button to change charge on the X atom !")}} -function tF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(G,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(G,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&CF(a,c);QE(a);Sq(a.n,"Smaller part(s) removed !");return 1} -function UF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function YF(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];EF(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),EF(a));4==a.s[d]&&(a.s[d]=1)}} -function mG(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 iD(a){var b;tG(a);b=a.s.length;a.K=v(G,k,-1,b,1);a.N=v(G,k,-1,b,1);RE(a);EF(a)} -function SF(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(G,k,-1,c,1),UD(a.c,b,a.c.length),a.c=b,b=v(G,k,-1,c,1),UD(a.A,b,a.A.length),a.A=b,b=v(G,k,-1,c,1),UD(a.x,b,a.x.length),a.x=b,b=v(G,k,-1,c,1),UD(a.e,b,a.e.length),a.e=b,b=v(xs,r,1,c,0),UD(a.d,b,a.d.length),a.d=b,b=v(xs,r,1,c,0),UD(a.o,b,a.o.length),a.o=b,b=v(OE,r,-1,c,1),UD(a.J,b,a.J.length),a.J=b,b=v(OE,r,-1,c,1),UD(a.M,b,a.M.length),a.M=b,b=ms([c,7]),UD(a.G,b,a.G.length),a.G=b,c=v(G,k,-1,c,1),UD(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function mF(a,b,c,d,e,f){var g;g=L(J(LD(a.J[b]-c/2)));f||(g-=d-c);a=L(J(LD(a.M[b]-~~(e/2))));return new hz(g-1-2,a-2,d+1+4,e+4)} -function XF(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(G,k,-1,b,1),UD(a.H,c,a.H.length),a.H=c,c=v(G,k,-1,b,1),UD(a.I,c,a.I.length),a.I=c,c=v(G,k,-1,b,1),UD(a.s,c,a.s.length),a.s=c,c=v(G,k,-1,b,1),UD(a.B,c,a.B.length),a.B=c,c=v(G,k,-1,b,1),UD(a.K,c,a.K.length),a.K=c,c=v(G,k,-1,b,1),UD(a.N,c,a.N.length),a.N=c,b=v(xs,r,1,b,0),UD(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function IF(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(xE(),aa);i+="JME 2013-04-10 "+new hE+"\n \n";i+=HF(a.t,3)+HF(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=$F(0.055999999999999994*(a.J[e]-c),10,4)+$F(0.055999999999999994*(g-a.M[e]),10,4)+$F(0,10,4);h=lF(a,e);1==h.length?h+=" ":2==h.length?h+=ca:3<h.length&&(h="Q "); -i+=ca+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+HF(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=HF(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:uG(a,e)&&(g=2),c=HF(a.H[e],3)+HF(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=HF(a.I[e],3)+HF(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=HF(a.I[e],3)+HF(a.H[e],3)),i+=c+HF(g,3)+HF(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+HF(e,4)+HF(a.A[e],4)+aa);return i+"M END\n"} -function aG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,H,A,K,O,W,ba,N,mc,Cc,Vf,sb,Jd,Kd,Ld,Va,Dc;o=v(G,k,-1,a.t+10,1);n=v(G,k,-1,a.t+10,1);l=v(G,k,-1,a.t+1,1);m=v(G,k,-1,7,1);sb=v(G,k,-1,a.t+1,1);w=v(vG,r,-1,a.t+1,2);H=v(vG,r,-1,a.u+1,2);mc=0;if(0==a.t)return j;tF(a,!0);Vf=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){Vf=!1;break}if(a.n.s&&Vf){wG(a);YF(a);xG(a,H);yG(a,w,H);var Cb,nd,$e,$b,se,od,pd,db,AH,Od,t,xa,Cm,Dm,Ks,gf,Na,Em,Fm,Gc,Gm;Cb=v(G,k,-1,a.t+1,1);nd=v(G,k,-1,a.t+1,1);db=v(zG,r,-1,a.t+1,3);var Ls=a.t,Hm, -oh,Ms,gg,uj,ye,hf;uj=v(zG,r,-1,Ls+2,3);ye=v(G,k,-1,100,1);hf=5;gg=0;ye[0]=3;uj[1]=fh;uj[2]=gh;Ms=2;if(!(3>Ls))for(;hf<ye[gg]*ye[gg];){oh=0;for(Hm=!0;Hm&&oh<=gg&&hf>=ye[oh]*ye[oh];)0==hf%ye[oh]?Hm=!1:++oh;if(Hm){uj[++Ms]=it(hf);if(Ms>=Ls)break;gg<ye.length-1&&(++gg,ye[gg]=hf)}hf+=2}for(t=1;t<=a.t;++t){for(xa=Fm=1;xa<=a.u;++xa)(a.H[xa]==t||a.I[xa]==t)&&(Fm*=a.i[xa]);Em=a.c[t];18==Em&&(Gm=a.o[t],od=Gm.charCodeAt(0)-65+1,pd=0,1<Gm.length&&(pd=Gm.charCodeAt(1)-97),0>od&&(od=0),0>pd&&(pd=0),Em=28*od+pd); -gf=0;-2>a.A[t]?gf=1:-2==a.A[t]?gf=2:-1==a.A[t]?gf=3:1==a.A[t]?gf=4:2==a.A[t]?gf=5:2<a.A[t]&&(gf=6);Gc=1;db[t]=it(Fm);Gc*=126;db[t]=dt(db[t],it(a.x[t]*Gc));Gc*=7;db[t]=dt(db[t],it(gf*Gc));Gc*=7;db[t]=dt(db[t],it(Em*Gc));Gc*=783;db[t]=dt(db[t],it(a.z[t]*Gc))}for(se=0;!rG(a,Cb,db);){Ks=!1;for(t=1;t<=a.t;++t)Cb[t]!=nd[t]&&(nd[t]=Cb[t],Ks=!0);if(Ks){for(t=1;t<=a.t;++t){db[t]=eh;for(xa=1;xa<=a.z[t];++xa)db[t]=mt(db[t],uj[Cb[a.G[t][xa]]])}se=0}else if(0<se){for(t=1;t<=a.t;++t)db[t]=eh;t=1;a:for(;t<=a.t- -1;++t)for(xa=t+1;xa<=a.t;++xa)if(Cb[t]==Cb[xa]){db[t]=fh;break a}}else{for(t=1;t<=a.t;++t){db[t]=eh;for(xa=1;xa<=a.z[t];++xa)$e=a.G[t][xa],db[t]=mt(db[t],it(a.c[$e]*a.i[nG(a,t,$e)]))}se=1}rG(a,Cb,db);for(t=1;t<=a.t;++t)db[t]=it(nd[t]*a.t+Cb[t])}for(t=1;t<=a.t;++t)nd[t]=Cb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(nd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];nd[t]=nd[Na];nd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Cb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Cb[a.H[t]],a.I[t]=Cb[a.I[t]],a.H[t]>a.I[t]&&(Od=a.H[t],a.H[t]=a.I[t],a.I[t]=Od,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Dm=Cm= -a.t;$b=0;for(xa=t;xa<=a.u;++xa)a.H[xa]<Cm?(Cm=a.H[xa],Dm=a.I[xa],$b=xa):a.H[xa]==Cm&&a.I[xa]<Dm&&(Dm=a.I[xa],$b=xa);Od=a.H[t];a.H[t]=a.H[$b];a.H[$b]=Od;Od=a.I[t];a.I[t]=a.I[$b];a.I[$b]=Od;Od=a.s[t];a.s[t]=a.s[$b];a.s[$b]=Od;Od=a.B[t];a.B[t]=a.B[$b];a.B[$b]=Od;AH=a.f[t];a.f[t]=a.f[$b];a.f[$b]=AH}iD(a);EF(a);xG(a,H);yG(a,w,H)}else{xG(a,H);a.i=v(G,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(G,k,-1,a.t+1,1);Dc=1;a.b[1]=1;for(ba=0;;){N=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=sb[c]){Cc=!0;for(K=1;K<=mc;++K)if(o[K]==c&&n[K]==g||o[K]==g&&n[K]==c){Cc=!1;break}Cc&&(++mc,o[mc]=c,n[mc]=g)}}else m[++N]=g;if(0==N){if(Dc==a.t)break;c=l[ba--]}else if(1==N)sb[m[1]]=c,c=m[1],a.b[c]=++Dc;else{l[++ba]=c;e=0;for(q=1;q<=N;++q)if(h=nG(a,m[q],c),!H[h]){e=m[q];break}if(0==e)for(q=1;q<=N;++q)if(h=nG(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);sb[e]=c;c=e;a.b[e]=++Dc}}sb=v(G,k,-1,a.t+1,1);b=v(G,k,-1,a.t+1,1);O=v(vG,r,-1,a.t+1,2);Jd=v(vG,r,-1,a.t+1,2);f=Dc=ba=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(sb[c]=f);b[++Dc]=c;for(a.b[c]=0;;){N=e=0;W=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=mc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++N,a.b[g]<W&&(e=g,W=a.b[g]))}if(0==e){if(0==ba)break a;Jd[c]=!0;c=l[ba--]}else break}f=c;c=e;1<N&&(l[++ba]=f,O[e]=!0)}Kd=v(G,k,-1,a.u+1,1);Ld=v(G,k,-1,a.t+1,1);if(a.n.Jb){var CH=sb,NL=mc,Ns,DH,ph,ze,Os,Ps,Ma,vj,Qs;ph=v(G,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)ph[b[Ma]]=Ma;Os=v(vG, -r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)Ns=b[Ma],DH=CH[Ns],ze=nG(a,Ns,DH),0!=ze&&(AG(a,ze,ph,Kd,H),Os[ze]=!0);for(Ma=1;Ma<=a.u;++Ma)Os[Ma]||AG(a,Ma,ph,Kd,H);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){Ps=Qs=0;for(vj=1;vj<=a.z[Ma];++vj){ze=nG(a,Ma,a.G[Ma][vj]);if(5==a.i[ze])continue a;1==a.s[ze]&&0!=BG(a,ze,Ma)&&++Qs;2==a.s[ze]&&(Ps=a.G[Ma][vj])}if(0!=Qs)if(0<Ps){var ha=a,FH=Ma,jf=ph,Tc=Ld,oc=void 0,wj=void 0,Hc=void 0,Ae=void 0,Ic=void 0,Im=void 0,Jm=void 0,Km=void 0,Pd=void 0,Uc=void 0,Vc=void 0, -Rs=void 0,xj=void 0,Qd=void 0,yj=void 0,Be=void 0,zj=void 0,Ss=void 0,Aj=void 0,Ce=void 0,GH=void 0,kf=void 0,HH=void 0,Ts=void 0,Bj=void 0,lf=void 0,Vc=1,wj=FH,oc=v(G,k,-1,ha.t+1,1);for(oc[1]=FH;;){Rs=!1;for(Uc=1;Uc<=ha.z[wj];++Uc)if(Hc=ha.G[wj][Uc],!(Hc==oc[1]||Hc==oc[Vc-1]))if(Ae=nG(ha,wj,Hc),2==ha.s[Ae]&&5!=ha.i[Ae]){wj=oc[++Vc]=Hc;Rs=!0;break}if(!Rs)break}if(!(0==Vc%2||2>ha.z[oc[Vc]]||3<ha.z[oc[Vc]])){lf=oc[1];Ic=oc[~~((Vc+1)/2)];Pd=oc[Vc];kf=Ce=Be=Qd=0;Ts=Ss=!1;for(Uc=1;Uc<=ha.z[lf];++Uc)Hc= -ha.G[lf][Uc],Ae=nG(ha,lf,Hc),1!=ha.s[Ae]||5==ha.i[Ae]||(0==Qd?Qd=Hc:Be=Hc);0<jf[Be]&&jf[Qd]>jf[Be]&&(Im=Qd,Qd=Be,Be=Im);xj=Qd;0==Qd&&(xj=Be,Ss=!0);for(Uc=1;Uc<=ha.z[Pd];++Uc)Hc=ha.G[Pd][Uc],Ae=nG(ha,Pd,Hc),1!=ha.s[Ae]||5==ha.i[Ae]||(0==Ce?Ce=Hc:kf=Hc);0<jf[kf]&&jf[Ce]>jf[kf]&&(Im=Ce,Ce=kf,kf=Im);Aj=Ce;0==Ce&&(Aj=kf,Ts=!0);yj=BG(ha,nG(ha,lf,Qd),lf);zj=BG(ha,nG(ha,lf,Be),lf);GH=BG(ha,nG(ha,Pd,Ce),Pd);HH=BG(ha,nG(ha,Pd,kf),Pd);1<(0>yj+zj?-(yj+zj):yj+zj)||0!=GH||0!=HH?Sq(ha.n,"Bad stereoinfo on allene !"): -(Jm=ha.J[oc[Vc-1]]-ha.J[Pd],Km=ha.M[oc[Vc-1]]-ha.M[Pd],Bj=Math.sqrt(Jm*Jm+Km*Km),0.001>Bj&&(Bj=0.001),0<(ha.M[Aj]-ha.M[oc[Vc-1]])*(Jm/Bj)-(ha.J[Aj]-ha.J[oc[Vc-1]])*(Km/Bj)?Tc[Ic]=1:Tc[Ic]=-1,Ss&&(Tc[Ic]*=-1),Ts&&(Tc[Ic]*=-1),xj==Qd&&0>yj&&(Tc[Ic]*=-1),xj==Be&&0>zj&&(Tc[Ic]*=-1),jf[xj]>jf[Aj]&&(Tc[Ic]*=-1))}}else b:{var ob=a,Ya=Ma,Us=CH,IH=ph,JH=o,KH=n,OL=NL,Lm=Ld,Mm=void 0,Wc=void 0,Vs=void 0,qh=void 0,Ba=void 0,rh=void 0,rd=void 0,Cj=void 0,Rd=void 0,Lb=void 0,da=void 0,$=void 0,De=void 0,Nm=void 0, -Xc=void 0,F=void 0,Om=void 0,$=v(G,k,-1,4,1),Nm=v(G,k,-1,4,1),Dj=void 0,Yc=void 0,Pm=void 0,Qm=void 0,Ws=void 0,Ej=void 0,Ej=-1;0<Us[Ya]&&($[++Ej]=Us[Ya]);for(Yc=1;Yc<=OL;++Yc)JH[Yc]==Ya&&($[++Ej]=KH[Yc]),KH[Yc]==Ya&&($[++Ej]=JH[Yc]);for(Yc=Ej+1;Yc<ob.z[Ya];++Yc){Ws=ob.t+1;Pm=1;c:for(;Pm<=ob.z[Ya];++Pm){Dj=ob.G[Ya][Pm];for(Qm=0;Qm<Yc;++Qm)if(Dj==$[Qm])continue c;IH[Dj]<Ws&&(Ws=IH[Dj],$[Yc]=Dj)}}0==Us[Ya]&&0<ob.x[Ya]?($[3]=$[2],$[2]=$[1],$[1]=$[0],$[0]=-1):0<ob.x[Ya]&&($[3]=$[2],$[2]=$[1],$[1]=-1); -for(Ba=Cj=rh=qh=Om=rd=Lb=0;4>Ba;++Ba)0>=$[Ba]||(Mm=nG(ob,Ya,$[Ba]),Nm[Ba]=BG(ob,Mm,Ya),0<Nm[Ba]?(++Lb,Om=$[Ba],rh=$[Ba]):0>Nm[Ba]?(++rd,qh=$[Ba],rh=$[Ba]):Cj=$[Ba]);Rd=Lb+rd;F=v(G,k,-1,4,1);Xc=0;if(3==ob.z[Ya]){if(1==Lb&&1==rd||3==Rd&&0<Lb&&0<rd){Sq(ob.n,"Error in C3H stereospecification !");break b}De=$[0];1==Rd?De=rh:2==Rd&&(De=Cj);da=lG(ob,Ya,De,$);F[0]=rh;F[1]=-1;F[2]=da[2];F[3]=da[1];0<Lb?Xc=1:Xc=-1}else if(4==ob.z[Ya])if(1==Rd)da=lG(ob,Ya,rh,$),F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],0< -Lb?Xc=1:Xc=-1;else{De=$[0];1<Cj&&(De=Cj);1==Lb?De=Om:1==rd&&(De=qh);da=lG(ob,Ya,De,$);Wc=v(G,k,-1,4,1);for(Ba=0;4>Ba;++Ba)Mm=nG(ob,Ya,da[Ba]),Wc[Ba]=BG(ob,Mm,Ya);if(4==Rd){if(0==Lb||0==rd){Sq(ob.n,"Error in C4 stereospecification !");break b}if(1==Lb||1==rd)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],Xc=Wc[0];else{for(Ba=0;4>Ba;++Ba)-1==Wc[Ba]&&(Wc[Ba]=0);Rd=2}}else if(3==Rd)if(3==Lb||3==rd)F[0]=da[0],F[1]=da[3],F[2]=da[2],F[3]=da[1],0<Lb?Xc=-1:Xc=1;else{1==Lb?Lb=Vs=1:rd=Vs=-1;for(Ba=0;4>Ba;++Ba)Wc[Ba]== -Vs&&(Wc[Ba]=0);Rd=2}if(2==Rd)if(1==Lb&&1==rd)da[1]==qh?(da[1]=da[2],da[2]=da[3]):da[2]==qh&&(da[2]=da[3]),F[0]=Om,F[1]=qh,F[2]=da[2],F[3]=da[1],Xc=1;else{if(Wc[0]==Wc[1]||Wc[1]==Wc[2]){Sq(ob.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Wc[0]?(F[0]=da[0],F[1]=da[2],F[2]=da[1],F[3]=da[3]):(F[0]=da[1],F[1]=da[3],F[2]=da[2],F[3]=da[0]);1<Lb?Xc=1:Xc=-1}}var jb=void 0;$[0]==F[1]?(jb=F[0],F[0]=F[1],F[1]=jb,jb=F[2],F[2]=F[3],F[3]=jb):$[0]==F[2]?(jb=F[2],F[2]=F[0],F[0]=jb,jb=F[1],F[1]=F[3],F[3]= -jb):$[0]==F[3]&&(jb=F[3],F[3]=F[0],F[0]=jb,jb=F[1],F[1]=F[2],F[2]=jb);$[1]==F[2]?(jb=F[1],F[1]=F[2],F[2]=jb,jb=F[2],F[2]=F[3],F[3]=jb):$[1]==F[3]&&(jb=F[1],F[1]=F[3],F[3]=jb,jb=F[2],F[2]=F[3],F[3]=jb);F[2]==$[2]?Lm[Ya]=1:F[2]==$[3]?Lm[Ya]=-1:Sq(ob.n,"Error in stereoprocessing ! - t30");Lm[Ya]*=Xc}}}Va=new TD;i=v(G,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];O[c]&&(Va.b.b+=ta);0<sb[q]&&CG(a,c,sb[c],Va,Kd);var sh=w[c],Eb=void 0,Fj=void 0,th=void 0,S=void 0,S=Nc,Eb=!1;0!=a.A[c]&& -(Eb=!0);0!=Ld[c]&&(Eb=!0);th=-1;for(Fj=1;Fj<=a.y;++Fj)if(a.q[Fj][0]==c){th=a.q[Fj][1];break}-1<th&&(Eb=!0);a.n.Ib&&0<a.e[c]&&(Eb=!0,th=1);switch(a.c[c]){case 2:S=Bb;break;case 3:sh?S="c":S=Hb;break;case 4:sh?(S=yf,0<a.x[c]&&(Eb=!0)):S=ec;break;case 5:sh?S="o":S=lc;break;case 7:sh?(S="p",0<a.x[c]&&(Eb=!0)):S=pc;break;case 8:sh?S=kg:S=Ac;break;case 13:sh?S=og:S=Ec;Eb=!0;break;case 6:S=Fc;Eb=!0;break;case 9:S=Rb;break;case 10:S=Mb;break;case 11:S=Gb;break;case 12:S=Xb;break;case 1:S=Vb;Eb=!0;break;case 19:S= -qc;Eb=!0;break;case 20:S=rc;Eb=!0;break;case 21:S=sc;Eb=!0;break;case 22:S=tc;Eb=!0;break;case 18:Eb=!0,S=a.o[c],(D(S,va)||D(S,Sc)||D(S,xb))&&(Eb=!1)}Eb&&(S=Oc+S,1==Ld[c]?S+=vb:-1==Ld[c]&&(S+=wb),1==a.x[c]?S+=Vb:1<a.x[c]&&(S+=Vb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?S+=wa:S+=Aa,1<Nj(a.A[c])&&(S+=Nj(a.A[c]))),-1<th&&(S+=mb+th),S+=Qc);mn(Va.b,S);for(A=1;A<=mc;++A)if(o[A]==c||n[A]==c)d=n[A],d==c&&(d=o[A]),i[c]<i[d]&&CG(a,o[A],n[A],Va,Kd),9<A&&(Va.b.b+="%"),ln(Va,j+(new R(A)).b);Jd[c]&&(Va.b.b+=ua)}return Va.b.b} -function CF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)$C(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function DF(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&CF(a,c);0==a.z[d]&&CF(a,d)} -function wG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=nG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&CF(a,c)}}}function tG(a){var b;b=a.c.length;a.G=ms([b,7]);a.z=v(G,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function yG(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(G,k,-1,a.u+1,1);o=v(vG,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[nG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:uG(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(vG,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function RE(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(J(LD((a.J[b]+a.J[c])/2))),a.N[d]=L(J(LD((a.M[b]+a.M[c])/2)))}function xG(a,b){var c;for(c=1;c<=a.u;++c)nF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function lF(a,b){var c;c=(xE(),SC)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function uG(a,b){return 2==a.s[b]?!0:!1}function nF(a,b,c){var d,e,f,g;g=1;a.b=v(G,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function QF(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=ms([b+5,2]),UD(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function QC(a){var b;a.y=0;a.r=0;aG(a);for(b=1;b<=a.t;++b)a.D=b,QF(a);a.D=0} -function BF(a){var b,c;b=v(OE,r,-1,4,1);PE(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function KE(a,b){var c,d,e,f,g,i,h,l;c=v(OE,r,-1,4,1);PE(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;PE(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function ZF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function GF(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Oc)&&ND(c,Qc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(ya)&&(f=!0);-1<c.indexOf(pb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Vb);g=Mj(c.indexOf(wa),c.indexOf(Aa));if(-1<d){i=fo(c,d+1);try{a.n.y=hC(i,10)}catch(h){if(h=Hi(h),y(h,118))a.n.y=0;else throw h;}a.D=b;QF(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Hb)?3:D(d,Bb)?2:D(d,ec)?4:D(d,lc)?5:D(d,pc)?7:D(d,Ac)?8:D(d,Rb)?9:D(d,Mb)?10:D(d,Gb)?11:D(d,Xb)?12:D(d,Vb)?1:D(d,Ec)?13:D(d,Fc)?6:D(d,qc)?19:D(d,rc)?20:D(d,sc)?21:D(d,tc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ca;d=0;0<e&&(d=1,e=MD(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=MD(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=MD(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=MD(c,g++);for(;45==e;)--d,e=MD(c,g++)}a.A[b]=d}}} -function VC(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new BC(b);try{for(;b.k=uC(b,b.b),b.k<b.j;)d=HD(hC(xC(b),10)).b,c=e=HD(hC(xC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Hi(f),y(f,118))jn(f);else throw f;}}function CG(a,b,c,d,e){b=nG(a,b,c);5!=a.i[b]&&uG(a,b)?d.b.b+=rb:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=ub,a=a.f[b],null!=a&&(e=a),mn(d.b,e)):1==e[b]?d.b.b+=Xa:-1==e[b]&&(d.b.b+=Pc)} -function RF(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Sq(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Sq(a.n,"Stereomarking allowed only on single and double bonds!")} -function AG(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=nG(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=nG(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=nG(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=nG(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Sq(a.n,"Not unique E/Z geometry !");else{i=nG(a,b,e);f=nG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=nG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function sG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=nG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(uG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function BG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function EF(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=sG(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function SE(a){kG(this);this.n=a;this.y=this.u=this.t=0} -function sF(a,b){var c,d,e,f,g,i,h;SE.call(this,a);f=j;i=qF(b);if(null!=i){h=new AC(b,i,!0);for(e=1;4>=e;++e)f=rF(h,i);g=HD(hC(Xn(f.substr(0,3)),10)).b;c=HD(hC(Xn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)SF(this),f=rF(h,i),this.J[e]=(new GD(DD(Xn(f.substr(0,10))))).b,this.M[e]=-(new GD(DD(Xn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Xn(f.substr(31,d-31)),GF(this,e,d),62<=f.length&&(f=Xn(f.substr(60,3)),0<f.length&&(f=HD(hC(f,10)).b,0<f&&(this.D=e,a.y=f,QF(this),this.D=0)));for(e=1;e<=c;++e)XF(this), -f=rF(h,i),this.H[e]=HD(hC(Xn(f.substr(0,3)),10)).b,this.I[e]=HD(hC(Xn(f.substr(3,3)),10)).b,g=HD(hC(Xn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=HD(hC(Xn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);tG(this);ZF(this);QE(this);for(iD(this);(h.k=uC(h,h.b),h.k<h.j)&&!(null==(f=xC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new zC(f);xC(g);xC(g);i=HD(hC(xC(g),10)).b; -for(e=1;e<=i;++e)c=HD(hC(xC(g),10)).b,this.A[c]=HD(hC(xC(g),10)).b}if(0==f.indexOf("M APO")){g=new zC(f);xC(g);xC(g);i=HD(hC(xC(g),10)).b;for(e=1;e<=i;++e)c=HD(hC(xC(g),10)).b,f=HD(hC(xC(g),10)).b,this.D=c,Z(this,0),GF(this,this.t,qc+f),this.D=0}}wG(this);iD(this)}} -function hD(a,b){var c,d,e,f,g;SE.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));ND(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new zC(b);d=HD(hC(xC(f),10)).b;e=HD(hC(xC(f),10)).b;for(c=1;c<=d;++c)g=xC(f),SF(this),GF(this,this.t,g),this.J[c]=(new GD(DD(xC(f)))).b,this.M[c]=-(new GD(DD(xC(f)))).b;for(c=1;c<=e;++c)if(XF(this),this.H[c]=HD(hC(xC(f),10)).b,this.I[c]=HD(hC(xC(f),10)).b,this.s[c]=HD(hC(xC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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-f.n.c&&(ca=g,i=J,B=G,ca.o&&(nF(ca,!1),oF(ca,BF(ca,i,B,5,!0)))),106==f.n.c&&GF(f,f.H[f.E],f.I[f.E]))){ca=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++ca;if(ca>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;Y(g,(yA(),FA));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],mF(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(Y(e,(yA(),DA)),Z(e,c-1,0,c-1,b-1)):(Y(e,MA(qD)),Z(e,c-1,0,c-1,b-1),Y(e,qD),Z(e,c-2,0,c-2,b-1),Y(e,SE),Z(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),Y(e,(yA(),IA)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new ZA(Yb,0,13),a.W=new OB(a.T),null!=a.bb&&(d=PB(a.W,a.bb),c=L(K(Math.round((c-d)/2))),b-=13,Y(e,(yA(),EA)),wF(e,a.T),xF(e,a.bb,c,b)));yF(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function uF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,k,-1,9,1);l=v(H,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(nF(b,!1),oF(b,BF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function HF(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;Y(d,qD);lB(d,0,0,b,c);a.nb?(Y(d,(yA(),DA)),c=13*(a.Y+a.S),mF(d,c,0,b-c-1,2*a.Y+a.S-1)):(Y(d,MA(qD)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,SE),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)lF(a,d,b,1),lF(a,d,b,2);a.c=c;yF(a.Ob,a.Lb,0,0)}} -function rF(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);qF(a,b,c+m-i,f,d-4-i-1,e,h)} -function IF(a,b){var c,d,e,f,g,i,h;vD(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=JF(b);h=new SC(b,g,!0);d=j;for(c=1;5>=c;++c)d=KF(h,g);c=$D(zC(bo(d.substr(0,3)),10)).b;f=$D(zC(bo(d.substr(3,3)),10)).b;KF(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=KF(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new LF(a,e)}fF(a,1,c,1);fF(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new LF(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",gD(a),!1;null!=a.i&&a.Z&&mD(a.Z,a.i,!0);null!=a.j&& -a.Z&&mD(a.Z,a.j,!1);g=MF(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new NF(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];fF(a,1,g,0)}gD(a);return!0} -function OF(a,b){var c,d,e,f,g,i,h,l;vD(a);c=f=0;l=new SC(b,"|>",!0);e=-1<b.indexOf(tb);i=1;g=LC(l);a.tb=0;for(d=1;d<=g;++d)if(h=PC(l),bo(h),!D(h,dh))if(D(h,tb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new zD(a,h);if(0==a.Z.t)return BD(a,"ERROR - problems in reading/processing molecule !"),lC(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return BD(a,"ERROR - strange reaction - fixing !"),lC(),!1;if(3<i)return BD(a,"ERROR - strange reaction !"),lC(),!1;1<a.tb&&!e&&fD(a,Af);e&&!a.Bb&&fD(a,bg);!e&&a.Bb&& -fD(a,Ef);e?(fF(a,1,f,1),fF(a,f+1,c-1,2),fF(a,c,a.tb,3)):fF(a,1,a.tb,0);gD(a);return!0}function jr(a,b){a.jb=!0;a.J=b} -function nr(a,b){var c,d;if(0==b)return!1;dF(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:rD(a);d=a.$;d.b=d.c;d.c.d=null;PF(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;QF(a,NE(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new uv("Cannot redo. Index is out of range."); -if(!d.b.d)throw new uv(bc);d.b=d.b.d;QF(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=lu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(jr(a,fc+(a.Db.b+1)+ea+a.Db.d),d=fE(d),nD(a,d,!1),null!=a.rb&&UC(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=lu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(jr(a,fc+(a.Db.b+1)+ea+a.Db.d),d=fE(d),nD(a,d,!1),null!=a.rb&&UC(a.rb,null));break;case 101:a.Gb&&HE(a.Gb);a.Gb=new RF(1,a);a.c=c;break;case 107:!a.zb?a.zb=new SF(a):a.zb.ac.d.hb?TF(a.zb.ac.d): -oD(a.zb);break;case 113:a.b&&HE(a.b);a.b=new RF(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,hD(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=UF(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(gF,r,-1,4,1);hF(a.Z,d);a.lb=!0;a.Z=new XE(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;AD(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,VF(a.Z,a.Z.D),a.Z.D=0,eF(a)):0<a.Z.E&&(a.lb=!0,WF(a.Z,a.Z.E), -a.Z.E=0,eF(a));XF(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new EB;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new xB(c),DB(i,g),g.d=c,Sz(g.e,a);Qy(a,i);a.E=i}YF(a.E.b,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(HE(a.o),a.o=null);0==a.Z.D&&(a.o=new RF(2,a));a.d= -18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,eF(a)),18==a.d&&(d=ko((kr(),lr).ac.b.pb,Wg),ZF(a.Z,a.Z.D,d),eF(a)),XF(a.Z))}gD(a);return!0} -function fr(a){var b,c,d;d=CD(a);c=j;if(a.Bb){var e,f,g;g=Es([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)UF(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+($F(g[1][0],3)+$F(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+aG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+aG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new bG(a,a.fb,a.tb)),c=aG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function cG(a,b,c,d){var e;e=c;var f=d,g,i;(g=dG(b),i=0!=(b.f&2),g||i)?(g=a.Bb?(!a.w&&(a.w=cD(a,!0)),a.w):(!a.v&&(a.v=cD(a,!1)),a.v),YF(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=eG(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;13>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=dD+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",gD(a),!0; -if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=nr(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)VF(a.Z,a.Z.D),a.Z.D=0,eF(a);else{if(106==a.c)return!0;if(108==a.c)fG(a.Z,a.Z.D,0),eF(a);else if(157==a.c)fG(a.Z,a.Z.D,1),eF(a);else if(158==a.c)fG(a.Z,a.Z.D,-1),eF(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):eF(a);else if(206<= -a.c&&229>=a.c)a.O=2,gG(a.Z),eF(a);else if(230==a.c)a.O=3,eF(a);else if(233<=a.c&&262>a.c)hG(a.Z,!1),eF(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;ZF(a.Z,a.Z.D,ko(a.zb.f.ac.b.pb,Wg));eF(a)}else if(105==a.c)iG(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=ko((kr(),lr).ac.b.pb,Wg),1>d.length&&(d=Qc),ZF(a.Z,a.Z.D,d)),eF(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,gG(a.Z),eF(a);else 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kF(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(kG(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c? -(a.Z.L=c,a.Z.O=d,a.O=2,gG(a.Z)):300<a.c?(kG(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=ko((kr(),lr).ac.b.pb,Wg),1>d.length&&(d=Qc),ZF(a.Z,1,d))):230==a.c?lD(a,null):233<=a.c&&262>a.c?(kG(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,hG(a.Z,!0)):lC();eF(a)}else e=!1;e&&(XF(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,gD(a))}return e} -function lG(a,b,c,d){var e,f;if(a.z||!a.hb||dG(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=mG(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)kG(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)kG(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)pG(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[GG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[GG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(H,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(dE((a.J[b]+a.J[e])/2))),a.N[c]=L(K(dE((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;pG(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(K(dE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(K(dE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(pG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(K(dE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(dE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(pG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(K(dE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(dE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(VF(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&IG(a,i);-1<l&&(a.D=l)} -function JG(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)kG(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function IG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=mG(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function GG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function KG(a,b,c){var d,e,f,g;e=fh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Dt(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Dt(c[d])&&!rt(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)xt(c[d],e)&&(b[d]=g,c[d]=fh,++f);if(f==a.t)break}return g==a.t} -function iF(a){var b,c,d;b=v(gF,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{hF(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;jF(a)}} -function hF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function fG(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=LG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&jr(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?jr(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?jr(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?jr(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:jr(a.n,"Charge change not possible on the halogen !");break;case 18:jr(a.n, -"Use X button to change charge on the X atom !")}} -function MF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&VF(a,c);iF(a);jr(a.n,"Smaller part(s) removed !");return 1} -function mG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function qG(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];XF(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),XF(a));4==a.s[d]&&(a.s[d]=1)}} -function FG(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 AD(a){var b;MG(a);b=a.s.length;a.K=v(H,k,-1,b,1);a.N=v(H,k,-1,b,1);jF(a);XF(a)} -function kG(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,k,-1,c,1),mE(a.c,b,a.c.length),a.c=b,b=v(H,k,-1,c,1),mE(a.A,b,a.A.length),a.A=b,b=v(H,k,-1,c,1),mE(a.x,b,a.x.length),a.x=b,b=v(H,k,-1,c,1),mE(a.e,b,a.e.length),a.e=b,b=v(Ps,r,1,c,0),mE(a.d,b,a.d.length),a.d=b,b=v(Ps,r,1,c,0),mE(a.o,b,a.o.length),a.o=b,b=v(gF,r,-1,c,1),mE(a.J,b,a.J.length),a.J=b,b=v(gF,r,-1,c,1),mE(a.M,b,a.M.length),a.M=b,b=Es([c,7]),mE(a.G,b,a.G.length),a.G=b,c=v(H,k,-1,c,1),mE(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function FF(a,b,c,d,e,f){var g;g=L(K(dE(a.J[b]-c/2)));f||(g-=d-c);a=L(K(dE(a.M[b]-~~(e/2))));return new zz(g-1-2,a-2,d+1+4,e+4)} -function pG(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,k,-1,b,1),mE(a.H,c,a.H.length),a.H=c,c=v(H,k,-1,b,1),mE(a.I,c,a.I.length),a.I=c,c=v(H,k,-1,b,1),mE(a.s,c,a.s.length),a.s=c,c=v(H,k,-1,b,1),mE(a.B,c,a.B.length),a.B=c,c=v(H,k,-1,b,1),mE(a.K,c,a.K.length),a.K=c,c=v(H,k,-1,b,1),mE(a.N,c,a.N.length),a.N=c,b=v(Ps,r,1,b,0),mE(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function aG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(QE(),aa);i+="JME 2013-04-10 "+new AE+"\n \n";i+=$F(a.t,3)+$F(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=sG(0.055999999999999994*(a.J[e]-c),10,4)+sG(0.055999999999999994*(g-a.M[e]),10,4)+sG(0,10,4);h=EF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+$F(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=$F(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:NG(a,e)&&(g=2),c=$F(a.H[e],3)+$F(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=$F(a.I[e],3)+$F(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=$F(a.I[e],3)+$F(a.H[e],3)),i+=c+$F(g,3)+$F(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+$F(e,4)+$F(a.A[e],4)+aa);return i+"M END\n"} -function tG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,B,J,N,W,ca,M,lc,Dc,Xf,pb,Nd,Od,Pd,Va,Ec;o=v(H,k,-1,a.t+10,1);n=v(H,k,-1,a.t+10,1);l=v(H,k,-1,a.t+1,1);m=v(H,k,-1,7,1);pb=v(H,k,-1,a.t+1,1);w=v(OG,r,-1,a.t+1,2);G=v(OG,r,-1,a.u+1,2);lc=0;if(0==a.t)return j;MF(a,!0);Xf=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){Xf=!1;break}if(a.n.s&&Xf){PG(a);qG(a);QG(a,G);RG(a,w,G);var Db,sd,bf,$b,xe,td,ud,cb,RH,Sd,t,va,Nm,Om,Us,jf,Na,Pm,Qm,Hc,Rm;Db=v(H,k,-1,a.t+1,1);sd=v(H,k,-1,a.t+1,1);cb=v(SG,r,-1,a.t+1,3);var Vs=a.t,Sm, -sh,Ws,ig,Cj,De,kf;Cj=v(SG,r,-1,Vs+2,3);De=v(H,k,-1,100,1);kf=5;ig=0;De[0]=3;Cj[1]=hh;Cj[2]=ih;Ws=2;if(!(3>Vs))for(;kf<De[ig]*De[ig];){sh=0;for(Sm=!0;Sm&&sh<=ig&&kf>=De[sh]*De[sh];)0==kf%De[sh]?Sm=!1:++sh;if(Sm){Cj[++Ws]=At(kf);if(Ws>=Vs)break;ig<De.length-1&&(++ig,De[ig]=kf)}kf+=2}for(t=1;t<=a.t;++t){for(va=Qm=1;va<=a.u;++va)(a.H[va]==t||a.I[va]==t)&&(Qm*=a.i[va]);Pm=a.c[t];18==Pm&&(Rm=a.o[t],td=Rm.charCodeAt(0)-65+1,ud=0,1<Rm.length&&(ud=Rm.charCodeAt(1)-97),0>td&&(td=0),0>ud&&(ud=0),Pm=28*td+ud); -jf=0;-2>a.A[t]?jf=1:-2==a.A[t]?jf=2:-1==a.A[t]?jf=3:1==a.A[t]?jf=4:2==a.A[t]?jf=5:2<a.A[t]&&(jf=6);Hc=1;cb[t]=At(Qm);Hc*=126;cb[t]=vt(cb[t],At(a.x[t]*Hc));Hc*=7;cb[t]=vt(cb[t],At(jf*Hc));Hc*=7;cb[t]=vt(cb[t],At(Pm*Hc));Hc*=783;cb[t]=vt(cb[t],At(a.z[t]*Hc))}for(xe=0;!KG(a,Db,cb);){Us=!1;for(t=1;t<=a.t;++t)Db[t]!=sd[t]&&(sd[t]=Db[t],Us=!0);if(Us){for(t=1;t<=a.t;++t){cb[t]=gh;for(va=1;va<=a.z[t];++va)cb[t]=Et(cb[t],Cj[Db[a.G[t][va]]])}xe=0}else if(0<xe){for(t=1;t<=a.t;++t)cb[t]=gh;t=1;a:for(;t<=a.t- -1;++t)for(va=t+1;va<=a.t;++va)if(Db[t]==Db[va]){cb[t]=hh;break a}}else{for(t=1;t<=a.t;++t){cb[t]=gh;for(va=1;va<=a.z[t];++va)bf=a.G[t][va],cb[t]=Et(cb[t],At(a.c[bf]*a.i[GG(a,t,bf)]))}xe=1}KG(a,Db,cb);for(t=1;t<=a.t;++t)cb[t]=At(sd[t]*a.t+Db[t])}for(t=1;t<=a.t;++t)sd[t]=Db[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(sd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];sd[t]=sd[Na];sd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Db[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Db[a.H[t]],a.I[t]=Db[a.I[t]],a.H[t]>a.I[t]&&(Sd=a.H[t],a.H[t]=a.I[t],a.I[t]=Sd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Om=Nm= -a.t;$b=0;for(va=t;va<=a.u;++va)a.H[va]<Nm?(Nm=a.H[va],Om=a.I[va],$b=va):a.H[va]==Nm&&a.I[va]<Om&&(Om=a.I[va],$b=va);Sd=a.H[t];a.H[t]=a.H[$b];a.H[$b]=Sd;Sd=a.I[t];a.I[t]=a.I[$b];a.I[$b]=Sd;Sd=a.s[t];a.s[t]=a.s[$b];a.s[$b]=Sd;Sd=a.B[t];a.B[t]=a.B[$b];a.B[$b]=Sd;RH=a.f[t];a.f[t]=a.f[$b];a.f[$b]=RH}AD(a);XF(a);QG(a,G);RG(a,w,G)}else{QG(a,G);a.i=v(H,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,k,-1,a.t+1,1);Ec=1;a.b[1]=1;for(ca=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=pb[c]){Dc=!0;for(J=1;J<=lc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Dc=!1;break}Dc&&(++lc,o[lc]=c,n[lc]=g)}}else m[++M]=g;if(0==M){if(Ec==a.t)break;c=l[ca--]}else if(1==M)pb[m[1]]=c,c=m[1],a.b[c]=++Ec;else{l[++ca]=c;e=0;for(q=1;q<=M;++q)if(h=GG(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=GG(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);pb[e]=c;c=e;a.b[e]=++Ec}}pb=v(H,k,-1,a.t+1,1);b=v(H,k,-1,a.t+1,1);N=v(OG,r,-1,a.t+1,2);Nd=v(OG,r,-1,a.t+1,2);f=Ec=ca=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(pb[c]=f);b[++Ec]=c;for(a.b[c]=0;;){M=e=0;W=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(B=1;B<=lc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.b[g]&&(++M,a.b[g]<W&&(e=g,W=a.b[g]))}if(0==e){if(0==ca)break a;Nd[c]=!0;c=l[ca--]}else break}f=c;c=e;1<M&&(l[++ca]=f,N[e]=!0)}Od=v(H,k,-1,a.u+1,1);Pd=v(H,k,-1,a.t+1,1);if(a.n.Jb){var TH=pb,fM=lc,Xs,UH,th,Ee,Ys,Zs,Ma,Dj,$s;th=v(H,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)th[b[Ma]]=Ma;Ys=v(OG, -r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)Xs=b[Ma],UH=TH[Xs],Ee=GG(a,Xs,UH),0!=Ee&&(TG(a,Ee,th,Od,G),Ys[Ee]=!0);for(Ma=1;Ma<=a.u;++Ma)Ys[Ma]||TG(a,Ma,th,Od,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){Zs=$s=0;for(Dj=1;Dj<=a.z[Ma];++Dj){Ee=GG(a,Ma,a.G[Ma][Dj]);if(5==a.i[Ee])continue a;1==a.s[Ee]&&0!=UG(a,Ee,Ma)&&++$s;2==a.s[Ee]&&(Zs=a.G[Ma][Dj])}if(0!=$s)if(0<Zs){var ha=a,WH=Ma,lf=th,Vc=Pd,nc=void 0,Ej=void 0,Ic=void 0,Fe=void 0,Jc=void 0,Tm=void 0,Um=void 0,Vm=void 0,Td=void 0,Wc=void 0,Xc=void 0, -at=void 0,Fj=void 0,Ud=void 0,Gj=void 0,Ge=void 0,Hj=void 0,bt=void 0,Ij=void 0,He=void 0,XH=void 0,mf=void 0,YH=void 0,ct=void 0,Jj=void 0,nf=void 0,Xc=1,Ej=WH,nc=v(H,k,-1,ha.t+1,1);for(nc[1]=WH;;){at=!1;for(Wc=1;Wc<=ha.z[Ej];++Wc)if(Ic=ha.G[Ej][Wc],!(Ic==nc[1]||Ic==nc[Xc-1]))if(Fe=GG(ha,Ej,Ic),2==ha.s[Fe]&&5!=ha.i[Fe]){Ej=nc[++Xc]=Ic;at=!0;break}if(!at)break}if(!(0==Xc%2||2>ha.z[nc[Xc]]||3<ha.z[nc[Xc]])){nf=nc[1];Jc=nc[~~((Xc+1)/2)];Td=nc[Xc];mf=He=Ge=Ud=0;ct=bt=!1;for(Wc=1;Wc<=ha.z[nf];++Wc)Ic= -ha.G[nf][Wc],Fe=GG(ha,nf,Ic),1!=ha.s[Fe]||5==ha.i[Fe]||(0==Ud?Ud=Ic:Ge=Ic);0<lf[Ge]&&lf[Ud]>lf[Ge]&&(Tm=Ud,Ud=Ge,Ge=Tm);Fj=Ud;0==Ud&&(Fj=Ge,bt=!0);for(Wc=1;Wc<=ha.z[Td];++Wc)Ic=ha.G[Td][Wc],Fe=GG(ha,Td,Ic),1!=ha.s[Fe]||5==ha.i[Fe]||(0==He?He=Ic:mf=Ic);0<lf[mf]&&lf[He]>lf[mf]&&(Tm=He,He=mf,mf=Tm);Ij=He;0==He&&(Ij=mf,ct=!0);Gj=UG(ha,GG(ha,nf,Ud),nf);Hj=UG(ha,GG(ha,nf,Ge),nf);XH=UG(ha,GG(ha,Td,He),Td);YH=UG(ha,GG(ha,Td,mf),Td);1<(0>Gj+Hj?-(Gj+Hj):Gj+Hj)||0!=XH||0!=YH?jr(ha.n,"Bad stereoinfo on allene !"): -(Um=ha.J[nc[Xc-1]]-ha.J[Td],Vm=ha.M[nc[Xc-1]]-ha.M[Td],Jj=Math.sqrt(Um*Um+Vm*Vm),0.001>Jj&&(Jj=0.001),0<(ha.M[Ij]-ha.M[nc[Xc-1]])*(Um/Jj)-(ha.J[Ij]-ha.J[nc[Xc-1]])*(Vm/Jj)?Vc[Jc]=1:Vc[Jc]=-1,bt&&(Vc[Jc]*=-1),ct&&(Vc[Jc]*=-1),Fj==Ud&&0>Gj&&(Vc[Jc]*=-1),Fj==Ge&&0>Hj&&(Vc[Jc]*=-1),lf[Fj]>lf[Ij]&&(Vc[Jc]*=-1))}}else b:{var oc=a,pc=Ma,gM=TH,hM=th,iM=o,jM=n,kM=fM,Wm=Pd,Xm=void 0,Yc=void 0,dt=void 0,uh=void 0,za=void 0,vh=void 0,wd=void 0,Kj=void 0,Vd=void 0,Lb=void 0,da=void 0,Fb=void 0,Ie=void 0,Ym=void 0, -Zc=void 0,la=void 0,Zm=void 0,Fb=v(H,k,-1,4,1),Ym=v(H,k,-1,4,1),wh=oc,Wd=pc,ZH=hM,et=gM,$H=iM,aI=jM,lM=kM,Gb=Fb,Lj=void 0,$c=void 0,$m=void 0,an=void 0,ft=void 0,Mj=void 0,Mj=-1;0<et[Wd]&&(Gb[++Mj]=et[Wd]);for($c=1;$c<=lM;++$c)$H[$c]==Wd&&(Gb[++Mj]=aI[$c]),aI[$c]==Wd&&(Gb[++Mj]=$H[$c]);for($c=Mj+1;$c<wh.z[Wd];++$c){ft=wh.t+1;$m=1;c:for(;$m<=wh.z[Wd];++$m){Lj=wh.G[Wd][$m];for(an=0;an<$c;++an)if(Lj==Gb[an])continue c;ZH[Lj]<ft&&(ft=ZH[Lj],Gb[$c]=Lj)}}0==et[Wd]&&0<wh.x[Wd]?(Gb[3]=Gb[2],Gb[2]=Gb[1],Gb[1]= -Gb[0],Gb[0]=-1):0<wh.x[Wd]&&(Gb[3]=Gb[2],Gb[2]=Gb[1],Gb[1]=-1);for(za=Kj=vh=uh=Zm=wd=Lb=0;4>za;++za)0>=Fb[za]||(Xm=GG(oc,pc,Fb[za]),Ym[za]=UG(oc,Xm,pc),0<Ym[za]?(++Lb,Zm=Fb[za],vh=Fb[za]):0>Ym[za]?(++wd,uh=Fb[za],vh=Fb[za]):Kj=Fb[za]);Vd=Lb+wd;la=v(H,k,-1,4,1);Zc=0;if(3==oc.z[pc]){if(1==Lb&&1==wd||3==Vd&&0<Lb&&0<wd){jr(oc.n,"Error in C3H stereospecification !");break b}Ie=Fb[0];1==Vd?Ie=vh:2==Vd&&(Ie=Kj);da=EG(oc,pc,Ie,Fb);la[0]=vh;la[1]=-1;la[2]=da[2];la[3]=da[1];0<Lb?Zc=1:Zc=-1}else if(4==oc.z[pc])if(1== -Vd)da=EG(oc,pc,vh,Fb),la[0]=da[0],la[1]=da[3],la[2]=da[2],la[3]=da[1],0<Lb?Zc=1:Zc=-1;else{Ie=Fb[0];1<Kj&&(Ie=Kj);1==Lb?Ie=Zm:1==wd&&(Ie=uh);da=EG(oc,pc,Ie,Fb);Yc=v(H,k,-1,4,1);for(za=0;4>za;++za)Xm=GG(oc,pc,da[za]),Yc[za]=UG(oc,Xm,pc);if(4==Vd){if(0==Lb||0==wd){jr(oc.n,"Error in C4 stereospecification !");break b}if(1==Lb||1==wd)la[0]=da[0],la[1]=da[3],la[2]=da[2],la[3]=da[1],Zc=Yc[0];else{for(za=0;4>za;++za)-1==Yc[za]&&(Yc[za]=0);Vd=2}}else if(3==Vd)if(3==Lb||3==wd)la[0]=da[0],la[1]=da[3],la[2]= -da[2],la[3]=da[1],0<Lb?Zc=-1:Zc=1;else{1==Lb?Lb=dt=1:wd=dt=-1;for(za=0;4>za;++za)Yc[za]==dt&&(Yc[za]=0);Vd=2}if(2==Vd)if(1==Lb&&1==wd)da[1]==uh?(da[1]=da[2],da[2]=da[3]):da[2]==uh&&(da[2]=da[3]),la[0]=Zm,la[1]=uh,la[2]=da[2],la[3]=da[1],Zc=1;else{if(Yc[0]==Yc[1]||Yc[1]==Yc[2]){jr(oc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Yc[0]?(la[0]=da[0],la[1]=da[2],la[2]=da[1],la[3]=da[3]):(la[0]=da[1],la[1]=da[3],la[2]=da[2],la[3]=da[0]);1<Lb?Zc=1:Zc=-1}}var U=la,Nj=Fb,hb=void 0;Nj[0]==U[1]?(hb= -U[0],U[0]=U[1],U[1]=hb,hb=U[2],U[2]=U[3],U[3]=hb):Nj[0]==U[2]?(hb=U[2],U[2]=U[0],U[0]=hb,hb=U[1],U[1]=U[3],U[3]=hb):Nj[0]==U[3]&&(hb=U[3],U[3]=U[0],U[0]=hb,hb=U[1],U[1]=U[2],U[2]=hb);Nj[1]==U[2]?(hb=U[1],U[1]=U[2],U[2]=hb,hb=U[2],U[2]=U[3],U[3]=hb):Nj[1]==U[3]&&(hb=U[1],U[1]=U[3],U[3]=hb,hb=U[2],U[2]=U[3],U[3]=hb);la[2]==Fb[2]?Wm[pc]=1:la[2]==Fb[3]?Wm[pc]=-1:jr(oc.n,"Error in stereoprocessing ! - t30");Wm[pc]*=Zc}}}Va=new lE;i=v(H,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -N[c]&&(Va.b.b+=ua);0<pb[q]&&VG(a,c,pb[c],Va,Od);var xh=w[c],Hb=void 0,Oj=void 0,yh=void 0,R=void 0,R=Qc,Hb=!1;0!=a.A[c]&&(Hb=!0);0!=Pd[c]&&(Hb=!0);yh=-1;for(Oj=1;Oj<=a.y;++Oj)if(a.q[Oj][0]==c){yh=a.q[Oj][1];break}-1<yh&&(Hb=!0);a.n.Ib&&0<a.e[c]&&(Hb=!0,yh=1);switch(a.c[c]){case 2:R=Ab;break;case 3:xh?R="c":R=Eb;break;case 4:xh?(R=Bf,0<a.x[c]&&(Hb=!0)):R=gc;break;case 5:xh?R="o":R=rc;break;case 7:xh?(R="p",0<a.x[c]&&(Hb=!0)):R=tc;break;case 8:xh?R=ng:R=Gc;break;case 13:xh?R=qg:R=Lc;Hb=!0;break;case 6:R= -Mc;Hb=!0;break;case 9:R=Sb;break;case 10:R=Mb;break;case 11:R=Cb;break;case 12:R=Zb;break;case 1:R=Wb;Hb=!0;break;case 19:R=uc;Hb=!0;break;case 20:R=vc;Hb=!0;break;case 21:R=wc;Hb=!0;break;case 22:R=xc;Hb=!0;break;case 18:Hb=!0,R=a.o[c],(D(R,xa)||D(R,ad)||D(R,wb))&&(Hb=!1)}Hb&&(R=Rc+R,1==Pd[c]?R+=vb:-1==Pd[c]&&(R+="@@"),1==a.x[c]?R+=Wb:1<a.x[c]&&(R+=Wb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?R+=ya:R+=Ca,1<Sj(a.A[c])&&(R+=Sj(a.A[c]))),-1<yh&&(R+=nb+yh),R+=Tc);tn(Va.b,R);for(B=1;B<=lc;++B)if(o[B]==c||n[B]==c)d= -n[B],d==c&&(d=o[B]),i[c]<i[d]&&VG(a,o[B],n[B],Va,Od),9<B&&(Va.b.b+="%"),sn(Va,j+(new S(B)).b);Nd[c]&&(Va.b.b+=wa)}return Va.b.b} -function VF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)rD(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function WF(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&VF(a,c);0==a.z[d]&&VF(a,d)} -function PG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=GG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&VF(a,c)}}}function MG(a){var b;b=a.c.length;a.G=Es([b,7]);a.z=v(H,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function RG(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,k,-1,a.u+1,1);o=v(OG,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[GG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:NG(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(OG,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function jF(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(dE((a.J[b]+a.J[c])/2))),a.N[d]=L(K(dE((a.M[b]+a.M[c])/2)))}function QG(a,b){var c;for(c=1;c<=a.u;++c)GF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function EF(a,b){var c;c=(QE(),jD)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function NG(a,b){return 2==a.s[b]?!0:!1}function GF(a,b,c){var d,e,f,g;g=1;a.b=v(H,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function iG(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Es([b+5,2]),mE(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function hD(a){var b;a.y=0;a.r=0;tG(a);for(b=1;b<=a.t;++b)a.D=b,iG(a);a.D=0} -function UF(a){var b,c;b=v(gF,r,-1,4,1);hF(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function cF(a,b){var c,d,e,f,g,i,h,l;c=v(gF,r,-1,4,1);hF(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;hF(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function rG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function ZF(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Rc)&&eE(c,Tc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(qb)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(nb);e=c.indexOf(Wb);g=Rj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=ov(c,d+1);try{a.n.y=zC(i,10)}catch(h){if(h=Li(h),y(h,119))a.n.y=0;else throw h;}a.D=b;iG(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Eb)?3:D(d,Ab)?2:D(d,gc)?4:D(d,rc)?5:D(d,tc)?7:D(d,Gc)?8:D(d,Sb)?9:D(d,Mb)?10:D(d,Cb)?11:D(d,Zb)?12:D(d,Wb)?1:D(d,Lc)?13:D(d,Mc)?6:D(d,uc)?19:D(d,vc)?20:D(d,wc)?21:D(d,xc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=ND(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=ND(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=ND(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=ND(c,g++);for(;45==e;)--d,e=ND(c,g++)}a.A[b]=d}}} -function mD(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new TC(b);try{for(;b.k=MC(b,b.b),b.k<b.j;)d=$D(zC(PC(b),10)).b,c=e=$D(zC(PC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Li(f),y(f,119))qn(f);else throw f;}}function VG(a,b,c,d,e){b=GG(a,b,c);5!=a.i[b]&&NG(a,b)?d.b.b+=sb:3==a.s[b]?d.b.b+=ma:9==a.s[b]?(e=ub,a=a.f[b],null!=a&&(e=a),tn(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Sc)} -function jG(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,jr(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:jr(a.n,"Stereomarking allowed only on single and double bonds!")} -function TG(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=GG(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=GG(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=GG(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=GG(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))jr(a.n,"Not unique E/Z geometry !");else{i=GG(a,b,e);f=GG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=GG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function LG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=GG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(NG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function UG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function XF(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=LG(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function kF(a){DG(this);this.n=a;this.y=this.u=this.t=0} -function LF(a,b){var c,d,e,f,g,i,h;kF.call(this,a);f=j;i=JF(b);if(null!=i){h=new SC(b,i,!0);for(e=1;4>=e;++e)f=KF(h,i);g=$D(zC(bo(f.substr(0,3)),10)).b;c=$D(zC(bo(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)kG(this),f=KF(h,i),this.J[e]=(new ZD(WD(bo(f.substr(0,10))))).b,this.M[e]=-(new ZD(WD(bo(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=bo(f.substr(31,d-31)),ZF(this,e,d),62<=f.length&&(f=bo(f.substr(60,3)),0<f.length&&(f=$D(zC(f,10)).b,0<f&&(this.D=e,a.y=f,iG(this),this.D=0)));for(e=1;e<=c;++e)pG(this), -f=KF(h,i),this.H[e]=$D(zC(bo(f.substr(0,3)),10)).b,this.I[e]=$D(zC(bo(f.substr(3,3)),10)).b,g=$D(zC(bo(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=$D(zC(bo(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);MG(this);rG(this);iF(this);for(AD(this);(h.k=MC(h,h.b),h.k<h.j)&&!(null==(f=PC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new RC(f);PC(g);PC(g);i=$D(zC(PC(g),10)).b; -for(e=1;e<=i;++e)c=$D(zC(PC(g),10)).b,this.A[c]=$D(zC(PC(g),10)).b}if(0==f.indexOf("M APO")){g=new RC(f);PC(g);PC(g);i=$D(zC(PC(g),10)).b;for(e=1;e<=i;++e)c=$D(zC(PC(g),10)).b,f=$D(zC(PC(g),10)).b,this.D=c,$(this,0),ZF(this,this.t,uc+f),this.D=0}}PG(this);AD(this)}} -function zD(a,b){var c,d,e,f,g;kF.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));eE(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new RC(b);d=$D(zC(PC(f),10)).b;e=$D(zC(PC(f),10)).b;for(c=1;c<=d;++c)g=PC(f),kG(this),ZF(this,this.t,g),this.J[c]=(new ZD(WD(PC(f)))).b,this.M[c]=-(new ZD(WD(PC(f)))).b;for(c=1;c<=e;++c)if(pG(this),this.H[c]=$D(zC(PC(f),10)).b,this.I[c]=$D(zC(PC(f),10)).b,this.s[c]=$D(zC(PC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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b,c,d,e;if(a.kb){e=a.bb.a;c=a.B.b-a.X;b=a.B.a-3*a.X-a.R;Y(e,a.s);rB(e,0,0,c,b);d=a.cb?(NB(),QB):(NB(),SB);if((NB(),OB)==(NB(),OB))d==QB?e.a=j:e.a=tg;d=new cA(a.db);(e.n=d)&&d&&(e.b='stroke-width="'+d.e+ga);for(d=1;d<=a.sb;++d){var f=a.eb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,G=w=o=m=void 0,A=n=void 0,J=m=q=o=i=void 0,O=m=i=void 0,X=h=o=h=void 0,ca=w=A=void 0,M=ca=q=n=l=A=m=q=G=J=n=void 0,M=h=n=o=o=J=M=X=i=O=O=G=X=n=n=O=X=void 0,w=A=1,l= -2,ca=3;f.v&&(CF(f),zF(f.k,1,f.k.sb,0),f.v=!1);1!=f.k.A&&(l*=f.k.A,ca*=f.k.A,i=1,0.7>f.k.A&&(i=1.2),i=I(13*f.k.A*i),f.k.j=new eB(Vb,0,i),f.k.k=new UB((iq(),f.k.j)));f.k.z&&(Y(g,(EA(),KA)),GF(g,0,0,f.k.B.b-1,f.k.B.a-1));if(0!=f.s){if(-1==f.j){m=L(K(Math.round(12*l)));for(i=1;i<=f.s;++i)0<f.d[i]&&7>f.d[i]&&(Y(g,(jF(),nF)[f.d[i]]),h=g,o=I(f.I[i]-m/2),O=I(f.L[i]-m/2),X=M=m,HF(h,!0),IF(h,JF(h,o,O,M,X)));for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],0!=f.d[h]&&f.d[h]==f.d[m]&&(Y(g,(jF(),nF)[f.d[h]]),n=f.I[m]-f.I[h], -A=f.L[m]-f.L[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=3*ca*A,n=3*ca*w,O=v(H,r,-1,4,1),o=v(H,r,-1,4,1),O[0]=I(f.I[h]+q),o[0]=I(f.L[h]-n),O[1]=I(f.I[m]+q),o[1]=I(f.L[m]-n),O[2]=I(f.I[m]-q),o[2]=I(f.L[m]+n),O[3]=I(f.I[h]-q),o[3]=I(f.L[h]+n),m=g,h=O,HF(m,!0),IF(m,VF(m,h,o,4,!0)))}for(i=1;i<=f.t;++i){Y(g,(EA(),KA));h=f.G[i];m=f.H[i];1==f.j&&0!=f.d[h]&&f.d[h]==f.d[m]&&Y(g,(jF(),nF)[f.d[h]]);if(3==f.A[i]||4==f.A[i])o=h,h=m,m=o;X=f.I[h];M=f.L[h];O=f.I[m];o=f.L[m];if(1!=f.r[i]||0!=f.A[i])n=O-X,A=o- -M,w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w;switch(f.r[i]){case 2:10<=f.A[i]&&Y(g,OA);q=l*A;n=l*w;Z(g,L(K(Math.round(X+q))),L(K(Math.round(M-n))),L(K(Math.round(O+q))),L(K(Math.round(o-n))));Z(g,L(K(Math.round(X-q))),L(K(Math.round(M+n))),L(K(Math.round(O-q))),L(K(Math.round(o+n))));Y(g,KA);break;case 3:m=L(K(Math.round(X)));h=L(K(Math.round(M)));O=L(K(Math.round(O)));o=L(K(Math.round(o)));Z(g,m,h,O,o);X=L(K(Math.round(ca*A)));M=L(K(Math.round(ca*w)));Z(g,m+X,h-M,O+X,o-M);Z(g,m-X,h+M,O-X,o+M);break; -case 9:case 0:for(h=0;10>h;++h)G=X-(X-O)/10*h,J=M-(M-o)/10*h,Z(g,L(K(Math.round(G))),L(K(Math.round(J))),L(K(Math.round(G))),L(K(Math.round(J))));QF(g,f.k.j);m=WF(f.k.k);n=f.e[i];h=rb;null!=n&&(h=n);n=VB(f.k.k,h);X=L(K(Math.round((X+O)/2-n/2)));n=L(K(Math.round((M+o)/2+~~(m/2)-1)));Y(g,OA);RF(g,h,X,n);Y(g,KA);break;default:if(1==f.A[i]||3==f.A[i])q=ca*A,n=ca*w,J=v(H,r,-1,3,1),G=v(H,r,-1,3,1),J[0]=L(K(Math.round(O+q))),G[0]=L(K(Math.round(o-n))),J[1]=L(K(Math.round(X))),G[1]=L(K(Math.round(M))),J[2]= -L(K(Math.round(O-q))),G[2]=L(K(Math.round(o+n))),m=g,h=J,o=G,HF(m,!0),IF(m,VF(m,h,o,3,!0));else if(2==f.A[i]||4==f.A[i]){q=ca*A;n=ca*w;for(h=0;10>h;++h)G=X-(X-O)/10*h,J=M-(M-o)/10*h,m=h/10,Z(g,L(K(Math.round(G+q*m))),L(K(Math.round(J-n*m))),L(K(Math.round(G-q*m))),L(K(Math.round(J+n*m))))}else Z(g,L(K(Math.round(X))),L(K(Math.round(M))),L(K(Math.round(O))),L(K(Math.round(o))))}}w=v(AF,k,-1,f.s+1,1);A=v(H,r,-1,f.s+1,1);for(i=1;i<=f.t;++i)h=f.G[i],m=f.H[i],l=f.I[h],o=f.I[m],++A[h],++A[m],w[h]=w[h]/ -A[h]+o/A[h],w[m]=w[m]/A[m]+l/A[m];QF(g,f.k.j);m=WF(f.k.k);M=v(nt,k,1,f.s+1,0);O=v(H,r,-1,f.s+1,1);o=v(H,r,-1,f.s+1,1);l=v(XF,k,53,f.s+1,0);for(i=1;i<=f.s;++i)h=YF(f,i),(null==h||1>h.length)&&(h=xa),3==f.b[i]&&0<f.y[i]&&0==f.z[i]?(M[i]=h,O[i]=o[i]=VB(f.k.k,h),l[i]=ZF(f,i,O[i],O[i],m,!1)):(X=w[i]<f.I[i],G=!0,1<A[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/3&&(G=!1),2<A[i]&&(G=!1),1==A[i]&&(0>=w[i]-f.I[i]?0-(w[i]-f.I[i]):w[i]-f.I[i])<25*f.k.A/10&&(X=!0),n=h,J=j,f.k.Eb&&0<f.w[i]&&(J+=Ub, -1<f.w[i]&&(J+=f.w[i])),q=j,0!=f.z[i]&&(1<Rj(f.z[i])&&(q+=Rj(f.z[i])),0<f.z[i]?q+=za:q+=Ca),X||!G?h=h+J+q+j:h=q+J+j+h,G||(n=h),M[i]=h,n=VB(f.k.k,n),q=VB(f.k.k,h),O[i]=n,o[i]=q,q=l[i]=ZF(f,i,n,q,m,X),X=q.c+2+1,n=q.d+m+2,Y(g,f.k.s),-1==f.j&&0!=f.d[i]&&Y(g,(jF(),nF)[f.d[i]]),rB(g,q.c,q.d,q.b,q.a),1==f.j?0!=f.d[i]?Y(g,(jF(),nF)[f.d[i]]):Y(g,(EA(),KA)):Y(g,(jF(),wD)[f.b[i]]),RF(g,h,X,n));for(h=1;h<=f.x;++h)i=f.p[h][0],n=O[i],q=o[i],X=L(K(wE(f.I[i]-n/2))),n=L(K(wE(f.L[i]+~~(m/2)-1))),Y(g,(EA(),OA)),RF(g, -ba+f.p[h][1],X+q,n);if(0<f.C||0<f.D)if(Y(g,104==f.k.b?(EA(),LA):(EA(),QA)),0<f.C&&106!=f.k.b&&(q=l[f.C],GF(g,q.c,q.d,q.b,q.a)),0<f.D&&(h=f.G[f.D],m=f.H[f.D],n=f.I[m]-f.I[h],A=f.L[m]-f.L[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=(ca+1)*A,n=(ca+1)*w,J=v(H,r,-1,5,1),G=v(H,r,-1,5,1),J[0]=L(K(wE(f.I[h]+q))),J[1]=L(K(wE(f.I[m]+q))),G[0]=L(K(wE(f.L[h]-n))),G[1]=L(K(wE(f.L[m]-n))),J[3]=L(K(wE(f.I[h]-q))),J[2]=L(K(wE(f.I[m]-q))),G[3]=L(K(wE(f.L[h]+n))),G[2]=L(K(wE(f.L[m]+n))),J[4]=J[0],G[4]=G[0],106!= -f.k.b&&(ca=g,i=J,A=G,ca.n&&(HF(ca,!1),IF(ca,VF(ca,i,A,5,!0)))),106==f.k.b&&$F(f,f.G[f.D],f.H[f.D]))){ca=0;for(i=1;i<=f.s;++i)0<f.a[i]&&++ca;if(ca>~~(f.s/2))for(i=1;i<=f.s;++i)0<f.a[i]?f.a[i]=0:f.a[i]=1;Y(g,(EA(),LA));for(i=1;i<=f.s;++i)0<f.a[i]&&(q=l[i],GF(g,q.c,q.d,q.b,q.a))}}}a.y||(a.mb?(Y(e,(EA(),JA)),Z(e,c-1,0,c-1,b-1)):(Y(e,SA(KD)),Z(e,c-1,0,c-1,b-1),Y(e,KD),Z(e,c-2,0,c-2,b-1),Y(e,lF),Z(e,c-3,0,c-3,b-1)));a.Ab&&(d=~~((c-48)/2),Y(e,(EA(),OA)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.y&&(a.S=new eB(Vb,0,13),a.V=new UB(a.S),null!=a.ab&&(d=VB(a.V,a.ab),c=L(K(Math.round((c-d)/2))),b-=13,Y(e,(EA(),KA)),QF(e,a.S),RF(e,a.ab,c,b)));SF(a.Nb,a.bb,a.X,2*a.X+a.R)}} -function OF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.X/4);g=!1;h=v(H,r,-1,9,1);l=v(H,r,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.n&&(HF(b,!1),IF(b,VF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function aG(a){var b,c,d;if(a.lb){d=a.Kb.a;b=a.B.b;c=2*a.X+a.R;Y(d,KD);rB(d,0,0,b,c);a.mb?(Y(d,(EA(),JA)),c=13*(a.X+a.R),GF(d,c,0,b-c-1,2*a.X+a.R-1)):(Y(d,SA(KD)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,lF),Z(d,0,0,b-1,0));c=a.b;233<=a.b&&262>=a.b&&(a.b=213);for(b=1;13>=b;++b)FF(a,d,b,1),FF(a,d,b,2);a.b=c;SF(a.Nb,a.Kb,0,0)}} -function LF(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);KF(a,b,c+m-i,f,d-4-i-1,e,h)} -function bG(a,b){var c,d,e,f,g,i,h;PD(a);if(0==b.indexOf("$RXN")){a.Ab=!0;a.hb=!0;g=cG(b);h=new $C(b,g,!0);d=j;for(c=1;5>=c;++c)d=dG(h,g);c=sE(HC(Un(d.substr(0,3)),10)).a;f=sE(HC(Un(d.substr(3,3)),10)).a;dG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=dG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.eb[++a.sb]=new eG(a,e)}zF(a,1,c,1);zF(a,c+1,c+f,3)}else{a.Ab=!1;a.Y=new eG(a,b);if(!a.Y||0==a.Y.s)return a.ib=!0,a.I="ERROR - problems in reading/processing MOL input",fD(a),!1;null!=a.f&&a.Y&&AD(a.Y,a.f,!0);null!=a.i&& -a.Y&&AD(a.Y,a.i,!1);g=fG(a.Y,!1);if(1==g)a.eb[++a.sb]=a.Y;else{a.hb=!0;for(d=1;d<=g;++d)a.eb[++a.sb]=new gG(a,a.Y,d)}a.d=1;a.Y=a.eb[a.d];zF(a,1,g,0)}fD(a);return!0} -function hG(a,b){var c,d,e,f,g,i,h,l;PD(a);c=f=0;l=new $C(b,"|>",!0);e=-1<b.indexOf(qb);i=1;g=TC(l);a.sb=0;for(d=1;d<=g;++d)if(h=XC(l),Un(h),!D(h,fh))if(D(h,qb))++i,2==i?f=a.sb:3==i&&(c=a.sb+1);else{a.Y=new TD(a,h);if(0==a.Y.s)return VD(a,"ERROR - problems in reading/processing molecule !"),tC(),!1;++a.sb;a.d=a.sb;a.eb[a.sb]=a.Y}if(2==i)return VD(a,"ERROR - strange reaction - fixing !"),tC(),!1;if(3<i)return VD(a,"ERROR - strange reaction !"),tC(),!1;1<a.sb&&!e&&uD(a,Af);e&&!a.Ab&&uD(a,cg);!e&&a.Ab&& -uD(a,Ef);e?(zF(a,1,f,1),zF(a,f+1,c-1,2),zF(a,c,a.sb,3)):zF(a,1,a.sb,0);fD(a);return!0}function wr(a,b){a.ib=!0;a.I=b} -function Ar(a,b){var c,d;if(0==b)return!1;xF(a);c=a.b;a.b=b;if(300>=b)switch(a.lb=!0,a.jb=!0,b){case 102:LD(a);d=a.Z;d.a=d.b;d.b.c=null;iG(a.Cb);break;case 110:a.kb=!0;a.b=c;a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b?a.e&&(++a.sb,a.d=a.sb,a.e=!1):(a.ib=!0,a.I="No more undo");if(!(a.Z.a!=a.Z.b&&a.Z.a.b!=a.Z.b))break;jG(a,gF(a.Z));a.kb=!0;break;case 111:a.b=c;if(a.Z.a.c)a.e&&(++a.sb,a.d=a.sb,a.e=!1);else{a.ib=!0;a.I="No more redo";break}if(!a.Z.a.c)break;d=a.Z;if(!d.a.c)throw new Kv("Cannot redo. Index is out of range."); -if(!d.a.c)throw new Kv(Zb);d.a=d.a.c;jG(a,d.a.a);a.kb=!0;break;case 152:a.b=c;d=a.Cb;d.a<d.c-1?(++d.a,d=yu(d,d.a)):d=null;null==d?(a.ib=!0,a.I=gc):(wr(a,cc+(a.Cb.a+1)+da+a.Cb.c),d=zE(d),BD(a,d,!1),null!=a.qb&&bD(a.qb,null));break;case 151:a.b=c;d=a.Cb;0<d.a?(--d.a,d=yu(d,d.a)):d=null;null==d?(a.ib=!0,a.I=gc):(wr(a,cc+(a.Cb.a+1)+da+a.Cb.c),d=zE(d),BD(a,d,!1),null!=a.qb&&bD(a.qb,null));break;case 101:a.Fb&&aF(a.Fb);a.Fb=new kG(1,a);a.b=c;break;case 107:!a.yb?a.yb=new lG(a):a.yb._b.c.$?mG(a.yb._b.c): -ID(a.yb);break;case 113:a.a&&aF(a.a);a.a=new kG(0,a);a.b=c;break;case 103:a.kb=!0;a.nb=!0;a.b=c;break;case 105:a.kb=!0;a.p&&a.fb&&(a.fb=!1,vD(a.Y),a.b=c);a.x=1;break;case 112:case 109:a.b=c;d=nG(a.Y);if(2==d){a.ib=!0;a.I="Copying the agent not possible !";break}d=v(AF,k,-1,4,1);BF(a.Y,d);a.kb=!0;a.Y=new qF(a.Y);d=I(~~((a.B.b-a.X)/2)-d[0]);for(c=1;c<=a.Y.s;++c)a.Y.I[c]+=2*d;UD(a.Y);a.eb[++a.sb]=a.Y;a.d=a.sb;break;case 104:0<a.Y.C?(a.kb=!0,oG(a.Y,a.Y.C),a.Y.C=0,yF(a)):0<a.Y.D&&(a.kb=!0,pG(a.Y,a.Y.D), -a.Y.D=0,yF(a));qG(a.Y);break;case 213:a.b=c;if(!a.D){var e,f,g,i;i=new KB;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new DB(c),JB(i,g),g.c=c,Yz(g.d,a);Wy(a,i);a.D=i}rG(a.D.a,a,a.E.a,a.E.b)}else{a.jb=!0;a.lb=!0;switch(b){case 301:a.c=3;break;case 401:a.c=4;break;case 501:a.c=5;break;case 701:a.c=9;break;case 801:a.c=10;break;case 901:a.c=11;break;case 1001:a.c=12;break;case 601:a.c=8;break;case 1101:a.c=7;break;case 1300:a.c=1;break;case 1201:a.n&&(aF(a.n),a.n=null);0==a.Y.C&&(a.n=new kG(2,a));a.c= -18;break;case 1301:a.c=19;break;case 1302:a.c=20;break;case 1303:a.c=21;break;case 1304:a.c=22}0<a.Y.C&&(a.kb=!0,a.c!=a.Y.b[a.Y.C]&&18!=a.c&&(a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,yF(a)),18==a.c&&(d=$n((xr(),yr)._b.a.gb,Xg),sG(a.Y,a.Y.C,d),yF(a)),qG(a.Y))}fD(a);return!0} -function Tq(a){var b,c,d;d=WD(a);c=j;if(a.Ab){var e,f,g;g=ct([4,a.sb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.sb;++b)nG(a.eb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(tG(g[1][0],3)+tG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+uG(a.eb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+uG(a.eb[g[3][b]],d)}else 1<a.sb&&(a.Y=new vG(a,a.eb,a.sb)),c=uG(a.Y,d),1<a.sb&&(a.Y=a.eb[a.d]);return c} -function wG(a,b,c,d){var e;e=c;var f=d,g,i;(g=xG(b),i=0!=(b.e&2),g||i)?(g=a.Ab?(!a.v&&(a.v=rD(a,!0)),a.v):(!a.u&&(a.u=rD(a,!1)),a.u),rG(g.a,a,e,f),e=!0):e=!1;if(e)return!0;if(a.y)return!1;e=!0;a.ib=!1;a.Lb=c-a.X;a.Mb=d-(2*a.X+a.R);a.ib=!0;a.I=j;a.fb=yG(b);a.gb=!1;if(c<a.X||d<2*a.X+a.R){e=0;for(b=1;13>=b;++b)if(c<b*(a.X+a.R)){e=b;break}c=0;for(b=1;b<=sD+2;++b)if(d<b*(a.X+a.R)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Gb=!0,a.ib=!0,a.I="Next ring will be added as spiro",fD(a),!0; -if(!a.xb&&107==d||!a.Ib&&201==d||!a.hb&&103==d||!a.rb&&!a.p&&105==d||!a.Ab&&109==d)return!1;e=Ar(a,d)}else{if(d>a.B.a-a.X-1)return!1;a.gb=!0;c-=a.X;d-=2*a.X+a.R;if(0<a.Y.C)if(104==a.b)oG(a.Y,a.Y.C),a.Y.C=0,yF(a);else{if(106==a.b)return!0;if(108==a.b)zG(a.Y,a.Y.C,0),yF(a);else if(157==a.b)zG(a.Y,a.Y.C,1),yF(a);else if(158==a.b)zG(a.Y,a.Y.C,-1),yF(a);else if(202==a.b||203==a.b||204==a.b||201==a.b||205==a.b)a.N=1,$(a.Y,0),a.Y.E=a.Y.C,205==a.b?(a.Y.u=1,a.Y.i[1]=a.Y.s,a.Y.i[0]=a.Y.C,a.Y.D=0):yF(a);else if(206<= -a.b&&229>=a.b)a.N=2,AG(a.Y),yF(a);else if(230==a.b)a.N=3,yF(a);else if(233<=a.b&&262>a.b)BG(a.Y,!1),yF(a),a.N=3;else if(107==a.b){if(a.yb.b)return!0;sG(a.Y,a.Y.C,$n(a.yb.e._b.a.gb,Xg));yF(a)}else if(105==a.b)CG(a.Y);else if(300<a.b){if(a.c!=a.Y.b[a.Y.C]||18==a.c)a.Y.b[a.Y.C]=a.c,a.Y.z[a.Y.C]=0,a.Y.w[a.Y.C]=0,18==a.c&&(d=$n((xr(),yr)._b.a.gb,Xg),1>d.length&&(d=Oc),sG(a.Y,a.Y.C,d)),yF(a)}else e=!1}else if(0<a.Y.C&&206<=a.b&&229>=a.b)a.N=2,AG(a.Y),yF(a);else if(0<a.Y.D)if(104==a.b)pG(a.Y,a.Y.D),a.Y.D= -0,yF(a);else if(106==a.b){d=a.Y;c=a.Y.D;if(0<d.a[d.G[c]]&&0<d.a[d.H[c]])wr(d.k,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.s;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;oG(d,c);d.a[c]=0}a.Y.D=0;yF(a)}else if(201==a.b)DG(a.Y,a.Y.D),yF(a);else if(202==a.b||205==a.b)1==a.Y.r[a.Y.D]&&0==a.Y.A[a.Y.D]?a.Y.r[a.Y.D]=2:(a.Y.r[a.Y.D]=1,a.Y.A[a.Y.D]=0),yF(a),a.Y.A[a.Y.D]=0;else if(203==a.b)a.Y.r[a.Y.D]=2,a.Y.A[a.Y.D]=0,yF(a);else if(204==a.b)a.Y.r[a.Y.D]=3,a.Y.A[a.Y.D]=0,yF(a);else if(206<= -a.b&&229>=a.b)a.N=2,AG(a.Y),yF(a);else if(107==a.b){if(!a.yb.b)return!0;d=$n(a.yb.e._b.a.gb,Xg);a.Y.r[a.Y.D]=9;a.Y.e[a.Y.D]=d;yF(a)}else 105==a.b?(a.ib=!0,a.I="Only atoms may be marked !"):e=!1;else if(0==a.sb||a.nb){if(201>=a.b)return!1;++a.sb;a.d=a.sb;a.eb[a.sb]=new EF(a);a.Y=a.eb[a.sb];a.nb=!1;202<=a.b&&204>=a.b||205==a.b?(EG(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,a.Y.E=1,a.N=1,$(a.Y,0),205==a.b&&(a.Y.I[2]=c+21.65,a.Y.L[2]=d-12.5,a.Y.i[0]=1,a.Y.i[1]=2,a.Y.u=1)):206<=a.b&&229>=a.b? -(a.Y.K=c,a.Y.N=d,a.N=2,AG(a.Y)):300<a.b?(EG(a.Y),a.Y.b[1]=a.c,a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,18==a.c&&(d=$n((xr(),yr)._b.a.gb,Xg),1>d.length&&(d=Oc),sG(a.Y,1,d))):230==a.b?zD(a,null):233<=a.b&&262>a.b?(EG(a.Y),a.Y.t=0,a.Y.y[1]=0,a.Y.I[1]=c,a.Y.L[1]=d,a.Y.C=1,BG(a.Y,!0)):tC();yF(a)}else e=!1;e&&(qG(a.Y),a.jb=!1,a.lb=!1,a.kb=!0,fD(a))}return e} -function FG(a,b,c,d){var e,f;if(a.y||!a.gb||xG(b))return!0;a.ib=!1;c-=a.X;d-=2*a.X;e=c-a.Lb;f=d-a.Mb;if(2==a.N||3==a.N||9==a.N)return!0;if(1==a.N){a:{b=a.Y;e=c;f=d;var g,i,h,l,m,o,n;b.C=0;b.I[0]=e;b.L[0]=f;g=GG(b,0);if(0<g&&205!=b.k.b)b.C=g,g!=b.E?(b.I[b.s]=b.I[g],b.L[b.s]=b.L[g]):(b.I[b.s]=b.K,b.L[b.s]=b.N);else if(205==b.k.b){b.D=0;g=b.i[b.u];l=b.i[b.u-1];i=b.I[g]-b.I[l];h=b.L[g]-b.L[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.I[l];n=f-b.L[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.u)oG(b,b.s),--b.u,b.B=!1;else if(2==b.s)0>b.L[2]-b.L[1]&&0<f-b.L[1]?b.L[2]=b.L[1]+g/2:0<b.L[2]-b.L[1]&&0>f-b.L[1]&&(b.L[2]=b.L[1]-g/2),0>b.I[2]-b.I[1]&&0<e-b.I[1]?b.I[2]=b.I[1]+0.866*g:0<b.I[2]-b.I[1]&&0>e-b.I[1]&&(b.I[2]=b.I[1]-0.866*g);else{if(2==b.y[b.i[0]]&&(m=b.F[b.i[0]][1],m==b.i[1]&&(m=b.F[b.i[0]][2]),i=b.I[b.i[0]]-b.I[m],h=b.L[b.i[0]]-b.L[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.I[m],n=f-b.L[m],e=n*i-o*h,o=b.I[b.i[1]]-b.I[m],n=b.L[b.i[1]]-b.L[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.t,b.C=b.i[0],$(b,0),pG(b,e),0<GG(b,b.s)&&(b.B=!0)}else{if(b.B)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.u;if(100<b.u){wr(b.k,"You are too focused on chains, enough of it for now !");--b.u;break a}b.C=b.s;$(b,L(K(Math.round(h))));b.i[b.u]=b.s;0<GG(b,b.s)&&(b.B=!0)}}b.C=0;e=b.u;wr(b.k,e+j)}else i=e-b.I[b.E],h=f-b.L[b.E],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.I[b.s]=b.I[b.E]+25*(i/g),b.L[b.s]=b.L[b.E]+25*(h/g)}a.q=!0}else if(yG(b)||xG(b))wF(a.Y,e),a.N= -5;else if(0==a.Y.C&&0==a.Y.D){5!=a.N&&(e=f=0);b=a.Y;for(g=1;g<=b.s;++g)b.I[g]+=e,b.L[g]+=f;h=v(AF,k,-1,4,1);BF(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.k.B.b-b.k.X&&0<h&&h<b.k.B.a-3*b.k.X))for(g=1;g<=b.s;++g)b.I[g]-=e,b.L[g]-=f;a.N=5}a.C=!1;xF(a);a.kb=!0;fD(a);a.Lb=c;a.Mb=d;return!0} -function HG(a,b,c,d){var e,f,g;if(!a.y&&!xG(b)){c-=a.X;d-=2*a.X;g=!1;f=0;b=1;a:for(;b<=a.sb;++b){e=a.eb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((jF(),oF)?350:170)+1,n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.s;++n)l=i-e.I[n],m=h-e.L[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.eb[b].C=0<e?e:0;a.eb[b].D=0>e?-e:0;f=b;g=!0;0<a.eb[b].C&&null!=a.pb&&bD(a.pb,F(vE,k,77,[new R(a.d),new R(a.Y.C)]));break a}else if(0<a.eb[b].C||0<a.eb[b].D)a.eb[b].C= -0,a.eb[b].D=0,g=!0}if(g){for(b=a.d+1;b<=a.sb;++b)a.eb[b].C=0,a.eb[b].D=0;a.C=!1;xF(a);a.kb=!0;fD(a)}0!=f&&f!=a.d&&(a.d=f,a.Y=a.eb[a.d])}} -function IG(a){if(a.y)return!0;a.ib=!1;a.O=hh;if(1==a.N){if(205==a.b){var b=a.Y,c,d;b.B&&(c=GG(b,b.s),6>b.y[c]&&(JG(b),d=b.i[b.u-1],b.G[b.t]=c,b.H[b.t]=d,b.F[c][++b.y[c]]=d,b.F[d][++b.y[d]]=c),oG(b,b.s));b.B=!1;yF(a)}else a:{var b=a.Y,e,f;c=GG(b,b.s);if(0!=c){--b.s;for(f=1;f<b.t;++f)if(d=b.G[f],e=b.H[f],d==c&&e==b.E||d==b.E&&e==c){--b.t;--b.y[b.E];3>b.r[f]?(++b.r[f],b.A[f]=0):wr(b.k,"Maximum allowed bond order is 3 !");break a}6==b.y[c]?(--b.t,--b.y[b.E],wr(b.k,"Not possible connection !")):(b.H[b.t]= -c,b.F[c][++b.y[c]]=b.E,b.F[b.E][b.y[b.E]]=c,b.J[b.t]=L(K(wE((b.I[b.E]+b.I[c])/2))),b.M[b.t]=L(K(wE((b.L[b.E]+b.L[c])/2))))}}DF(a.Y);a.q&&(b=a.Z,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,gF(b),b.a.c=c),yF(a),a.q=!1)}else 5==a.N&&(DF(a.Y),yF(a));0<a.N&&(a.C=!1,xF(a),a.kb=!0,qG(a.Y),KG(a.Y),fD(a),a.N=0,a.e=!1);if(oF&&(0!=a.Y.D||0!=a.Y.C))a.Y.D=0,a.Y.C=0,xF(a),a.kb=!0,fD(a);return!0}function xF(a){a.jb=!1;a.lb=!1;a.kb=!1} -function uD(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.zb=!1:-1<b.indexOf("rbutton")&&(a.zb=!0);-1<b.indexOf("nohydrogens")?a.Eb=!1:-1<b.indexOf("hydrogens")&&(a.Eb=!0);-1<b.indexOf("keephs")&&(a.M=!0);-1<b.indexOf("removehs")&&(a.M=!1);-1<b.indexOf("noquery")?a.xb=!1:-1<b.indexOf("query")&&(a.xb=!0);-1<b.indexOf(Ef)?a.Ab=!1:-1<b.indexOf(cg)&&(a.Ab=!0);-1<b.indexOf("noautoez")?a.o=!1:-1<b.indexOf("autoez")&&(a.o=!0);-1<b.indexOf("nostereo")?a.Ib=!1:-1<b.indexOf("stereo")&&(a.Ib=!0); --1<b.indexOf("nocanonize")?a.r=!1:-1<b.indexOf("canonize")&&(a.r=!0);-1<b.indexOf("nomultipart")?a.hb=!1:-1<b.indexOf(Af)&&(a.hb=!0);-1<b.indexOf("nonumber")?(a.rb=!1,a.p=!1):-1<b.indexOf(If)&&(a.rb=!0,a.p=!1);-1<b.indexOf("newlook")?(a.mb=!0,a.R=1):-1<b.indexOf("oldlook")&&(a.mb=!1,a.R=0);-1<b.indexOf("autonumber")&&(a.p=!0,a.rb=!0);-1<b.indexOf("star")&&(a.Hb=!0,a.rb=!0);-1<b.indexOf("polarnitro")&&(a.vb=!0);-1<b.indexOf("depict")&&(a.y=!0,a.X=0,a.bb=null,zF(a,1,a.sb,0));if(-1<b.indexOf("nodepict")){a.y= -!1;for(c=1;c<=a.sb;++c)LG(a.eb[c]),CF(a.eb[c]);a.A=1;a.X=24;a.Y&&(a.Y.v=!0)}-1<b.indexOf(ld)&&(a.z=!0);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.ob=!0);-1<b.indexOf("jmeh")&&(a.L=!0);-1<b.indexOf("showan")&&(a.Db=!0);a.Ab&&(a.p=!0,a.hb=!0);a.y||(a.z=!1);a.zb&&++sD;fD(a)} -function fD(a){var b,c,d;b=Tz(a);!a.B||b.b!=a.B.b||b.a!=a.B.a||!a.bb||!a.H?(a.B=b,d=b.b-a.X,c=b.a-3*a.X-a.R,1>d&&(d=1),1>c&&(c=1),a.bb=Pz(a,d,c),UF(a),a.y||(a.Kb=Pz(a,b.b,2*a.X+a.R),aG(a),c=b.a-2*a.X+a.R,1>c&&(c=1),a.P=Pz(a,a.X,c),TF(a),a.H=Pz(a,d,a.X),PF(a))):(UF(a),a.y||(PF(a),a.C&&(aG(a),TF(a)),a.C=!0));a.jb=!0;a.lb=!0;a.kb=!0;a.ib=!0} -function ND(a,b){var c,d,e;e=j;for(d=1;d<=a.sb;++d){if(0<b&&(c=nG(a.eb[d]),c!=b))continue;c=a.eb[d];for(var f=void 0,g=void 0,i=void 0,h=void 0,l=g=f=void 0,m=void 0,i=void 0,m=j+c.s+ba+c.t,h=1;h<=c.s;++h){i=YF(c,h);c.k.L&&0<c.w[h]&&(i+=Ub,1<c.w[h]&&(i+=c.w[h]));0!=c.z[h]&&(0<c.z[h]?i+=za:i+=Ca,1<Rj(c.z[h])&&(i+=Rj(c.z[h])));g=-1;for(f=1;f<=c.x;++f)if(c.p[f][0]==h){g=c.p[f][1];break}c.k.Hb&&0<c.d[h]&&(g=1);-1<g&&(i+=jb+g);m+=ba+i+ba+MG(0.055999999999999994*c.I[h],0,2)+ba+MG(0.055999999999999994*-c.L[h], 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-1;++a.y[a.C];JG(a);a.r[a.t]=1;203==a.k.b&&(a.r[a.t]=2);204==a.k.b&&(a.r[a.t]=3);a.G[a.t]=a.C;a.H[a.t]=a.s;201==a.k.b&&DG(a,a.t);a.F[a.s][1]=a.C;a.F[a.C][a.y[a.C]]=a.s;a.J[a.t]=L(K(wE((a.I[a.C]+a.I[a.s])/2)));a.M[a.t]=L(K(wE((a.L[a.C]+a.L[a.s])/2)));a.K=a.I[a.s];a.N=a.L[a.s]} -function BG(a,b){var c;a.E=a.C;c=0;if(233==a.k.b||237==a.k.b||236==a.k.b||239==a.k.b||251==a.k.b||252==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.o=!1,a.C=a.s-1,$(a,0),a.C=a.s-2,$(a,0),237==a.k.b&&(a.b[a.s]=10,a.b[a.s-1]=10,a.b[a.s-2]=10),236==a.k.b&&(a.b[a.s]=9,a.b[a.s-1]=9,a.b[a.s-2]=9),239==a.k.b&&(a.b[a.s]=5,a.b[a.s-1]=5,a.b[a.s-2]=5,a.b[a.s-3]=8,a.r[a.t]=2,a.r[a.t-1]=2),252==a.k.b&&(a.b[a.s]=5,a.b[a.s-1]=5,a.b[a.s-2]=4,a.b[a.s-3]=8,a.r[a.t]=2,a.r[a.t-1]=2),251==a.k.b&&(a.b[a.s]=5,a.b[a.s-1]=5,a.b[a.s- -2]=5,a.b[a.s-3]=7,a.r[a.t]=2),c=4;else if(244==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.b[a.s]=8,a.C=a.s,a.o=!0,$(a,0),a.o=!1,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,a.C=a.s-2,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=5;else if(234==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,a.k.vb&&zG(a,a.C,1),$(a,0),a.b[a.s]=5,a.r[a.t]=2,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.k.vb?(a.r[a.t]=1,zG(a,a.s,-1)):a.r[a.t]=2,c=3;else if(235==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(240==a.k.b)$(a,0),a.C= -a.s,$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s-2,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=4;else if(260==a.k.b)$(a,0),a.C=a.s,$(a,0),a.b[a.s]=4,a.C=a.s-1,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(261==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.b[a.s]=5,a.r[a.t]=2,c=3;else if(241==a.k.b)$(a,0),a.b[a.s]=5,a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=4;else if(243==a.k.b)$(a,0),a.b[a.s]=4,a.C=a.s,$(a,0),a.C=a.s-1,$(a,0),c=3;else if(238==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.r[a.t]= -3,a.o=!1,c=2;else if(249==a.k.b)$(a,0),a.C=a.s,$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=2;else if(250==a.k.b)$(a,0),a.r[a.t]=2,a.b[a.s]=5,c=1;else if(245==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.C=a.s,a.r[a.t]=3,$(a,0),a.o=!1,c=3;else if(242==a.k.b)$(a,0),a.C=a.s,a.o=!0,$(a,0),a.r[a.t]=3,a.b[a.s]=4,a.o=!1,c=2;else if(254==a.k.b)$(a,0),a.b[a.s]=9,c=1;else if(255==a.k.b)$(a,0),a.b[a.s]=10,c=1;else if(256==a.k.b)$(a,0),a.b[a.s]=11,c=1;else if(257==a.k.b)$(a,0),a.b[a.s]=12,c=1;else if(258==a.k.b)$(a,0),a.b[a.s]=4, -c=1;else if(259==a.k.b)$(a,0),a.b[a.s]=5,c=1;else if(246==a.k.b)$(a,0),a.C=a.s,$(a,0),c=2;else if(247==a.k.b)$(a,0),a.C=a.s,$(a,0),a.C=a.s,$(a,0),c=3;else if(248==a.k.b)$(a,0),a.C=a.s,$(a,0),a.C=a.s,$(a,0),a.C=a.s,$(a,0),c=4;else if(253==a.k.b){var d,e,f,g,i,h,l,m,o,n,q;if(a.k.Jb){c=0;m=a.k.Jb;for(l=1;l<=m.x;++l)d=m.p[l][0],1==m.p[l][1]&&(c=d);d=a.s;l=a.C;$(a,0);e=a.I[a.s];g=a.L[a.s];oG(a,a.s);e=a.I[l]-e;g=a.L[l]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=m.s;++h)EG(a),a.b[a.s]=m.b[h],a.z[a.s]=m.z[h], -a.w[a.s]=m.w[h],a.I[a.s]=m.I[h],a.L[a.s]=m.L[h];for(h=1;h<=m.t;++h)JG(a),a.G[a.t]=m.G[h]+d,a.H[a.t]=m.H[h]+d,a.r[a.t]=m.r[h];UD(a);a.C=c+d;$(a,0);m=a.I[a.s];n=a.L[a.s];oG(a,a.s);f=a.I[c+d]-m;i=a.L[c+d]-n;h=Math.sqrt(f*f+i*i);i/=h;f/=h;for(h=d+1;h<=a.s;++h)a.I[h]-=m,a.L[h]-=n,o=a.I[h]*f+a.L[h]*i,q=a.L[h]*f-a.I[h]*i,a.I[h]=o,a.L[h]=q,o=-a.I[h]*e+a.L[h]*g,q=-a.L[h]*e-a.I[h]*g,a.I[h]=o,a.L[h]=q,a.I[h]+=a.I[l],a.L[h]+=a.L[l];JG(a);a.G[a.t]=l;a.H[a.t]=c+d;UD(a);b&&(oG(a,l),CF(a))}c=4}aH(a,c);a.C=a.E;b&& -(a.C=0)} -function $G(a,b,c,d){var e,f,g,i,h;e=a.F[b][1];f=a.F[b][2];g=a.I[f]-a.I[e];i=-(a.L[f]-a.L[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i?0-((a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i):(a.L[b]-a.L[e])*g+(a.I[b]-a.I[e])*i)?(g=a.I[b]-a.I[e],i=a.L[b]-a.L[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.I[e]+h*g-c*i,d[1]=a.L[e]+c*g+h*i):(g=(a.I[e]+a.I[f])/2,e=(a.L[e]+a.L[f])/2,g=a.I[b]-g,i=a.L[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.I[b]+ -c*g/h,d[1]=a.L[b]+c*i/h)} -function AG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.k.b){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.k.A*a.k.A/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.C)if(2>a.y[a.C])bH(a,i,f,h);else if(!a.k.fb&&!a.k.Gb)l=a.C,$(a,0),a.C=a.s,bH(a,i,f,h);else{a.k.Gb=!1;if(209==a.k.b||221==a.k.b||223==a.k.b){wr(a.k,"ERROR - cannot add aromatic spiro ring !");a.k.N=9; -return}for(d=1;d<=a.y[a.C];++d)if(b=a.r[ZG(a,a.C,a.F[a.C][d])],2<d||1!=b){wr(a.k,"ERROR - spiro ring not possible here !");a.k.N=9;return}b=v(AF,k,-1,2,1);$G(a,a.C,h,b);e=a.I[a.C]-b[0];g=a.L[a.C]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)EG(a),o=f*d+1.5707963267948966,a.I[a.s]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*g)}else if(0<a.D){b=a.G[a.D];c=a.H[a.D];d=0;2==a.y[b]?a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]:2==a.y[c]&&(a.F[c][1]!= -b?d=a.F[c][1]:d=a.F[c][2],m=b,b=c,c=m);0==d&&(a.F[b][1]!=c?d=a.F[b][1]:d=a.F[b][2]);e=a.I[c]-a.I[b];g=a.L[c]-a.L[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.L[d]-a.L[b])*e-(a.I[d]-a.I[b])*g&&(q=-q,m=0);n=a.I[b]+o*e-q*g;q=a.L[b]+q*e+o*g;for(d=1;d<=i;++d)EG(a),o=f*(d+0.5)+3.141592653589793*m,a.I[a.s]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.L[a.s]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i-1&&(a.I[a.s]= -a.I[c],a.L[a.s]=a.L[c])):(d==i-1&&(a.I[a.s]=a.I[b],a.L[a.s]=a.L[b]),d==i&&(a.I[a.s]=a.I[c],a.L[a.s]=a.L[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)EG(a),o=f*(d-b),a.I[a.s]=a.K+h*Math.sin(o),a.L[a.s]=a.N+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)JG(a),a.r[a.t]=1,h=a.s-b+f,a.y[h]=2,a.G[a.t]=h,a.H[a.t]=h+1;a.H[a.t]=a.s-b+1;if(209==a.k.b){if(a.r[a.t-4]=2,a.r[a.t-2]=2,a.r[a.t]=2,0<a.D)if(1==a.r[a.D]){if(b=0,1<a.y[a.G[a.D]]&&(b=a.F[a.G[a.D]][1],h=a.G[a.D],b==a.H[a.D]&&(b=a.F[a.G[a.D]][2])),0==b&&1<a.y[a.H[a.D]]&& -(b=a.F[a.H[a.D]][1],h=a.H[a.D],b==a.H[a.D]&&(b=a.F[a.H[a.D]][2])),0<b)for(f=1;f<=a.t;++f)if(a.G[f]==b&&a.H[f]==h||a.G[f]==h&&a.H[f]==b){1!=a.r[f]&&(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=3);break}}else a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-5]=2,a.r[a.t-3]=2,a.r[a.t-1]=2}else if(221==a.k.b||223==a.k.b)if(0<a.D){if(1==a.r[a.D]){b=!1;for(f=1;f<=a.y[a.G[a.D]];++f)if(h=a.F[a.G[a.D]][f],1<a.r[ZG(a,a.G[a.D],h)]){b=!0;break}for(f=1;f<=a.y[a.H[a.D]];++f)if(h=a.F[a.H[a.D]][f], -1<a.r[ZG(a,a.H[a.D],h)]){b=!0;break}b||(a.r[a.D]=2)}a.r[a.t-4]=2;a.b[a.s-2]=5}else 0<a.C?221==a.k.b?(a.r[a.t-4]=1,a.r[a.t-2]=1,a.r[a.t-1]=1,a.r[a.t-3]=2,a.r[a.t]=2,a.b[a.s-1]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5):(a.r[a.t-3]=1,a.r[a.t-2]=1,a.r[a.t]=1,a.r[a.t-4]=2,a.r[a.t-1]=2,a.b[a.s-2]=5);h=v(H,r,-1,a.s+1,1);for(f=1;f<=i;++f)b=a.s-i+f,c=a.t-i+f,a.F[b][1]=b-1,a.F[b][2]=b+1,b=a.G[c],e=a.H[c],a.J[c]=L(K(wE((a.I[b]+a.I[e])/2))),a.M[c]=L(K(wE((a.L[b]+a.L[e])/ -2)));a.F[a.s-i+1][1]=a.s;a.F[a.s][2]=a.s-i+1;for(f=a.s-i+1;f<=a.s;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.s-i;++b)e=a.I[f]-a.I[b],d=a.L[f]-a.L[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.C||c==a.C)&&(h[f]=c)}g=a.t-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.G[f],e=a.H[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.G[c]==h[b]&&a.H[c]==h[e]||a.H[c]==h[b]&&a.G[c]==h[e])continue a;JG(a);a.r[a.t]=a.r[f];a.G[a.t]=h[b];a.F[h[b]][++a.y[h[b]]]=h[e];a.H[a.t]=h[e];a.F[h[e]][++a.y[h[e]]]=h[b];a.J[a.t]=L(K(wE((a.I[a.G[a.t]]+a.I[a.H[a.t]])/ -2)));a.M[a.t]=L(K(wE((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))}else 0<h[b]?(JG(a),a.r[a.t]=a.r[f],a.G[a.t]=h[b],a.F[h[b]][++a.y[h[b]]]=e,a.H[a.t]=e,a.F[e][++a.y[e]]=h[b],a.J[a.t]=L(K(wE((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K(wE((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2)))):0<h[e]&&(JG(a),a.r[a.t]=a.r[f],a.G[a.t]=h[e],a.F[h[e]][++a.y[h[e]]]=b,a.H[a.t]=b,a.F[b][++a.y[b]]=h[e],a.J[a.t]=L(K(wE((a.I[a.G[a.t]]+a.I[a.H[a.t]])/2))),a.M[a.t]=L(K(wE((a.L[a.G[a.t]]+a.L[a.H[a.t]])/2))));d=a.s-i;for(f=a.s;f>d;--f)if(0< -h[f]&&(oG(a,f),3==a.b[h[f]])){m=0;for(b=1;b<=a.y[h[f]];++b){e=a.F[h[f]][b];for(c=1;c<=a.t;++c)(a.G[c]==h[f]&&a.H[c]==e||a.G[c]==e&&a.H[c]==h[f])&&(m+=a.r[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.r[c]=1}0<a.C&&aH(a,i);-1<l&&(a.C=l)} -function bH(a,b,c,d){var e,f,g,i,h,l;0==a.y[a.C]?(e=0,f=1):(e=a.F[a.C][1],f=a.I[a.C]-a.I[e],e=a.L[a.C]-a.L[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.I[a.C]+d*f;l=a.L[a.C]+d*e;for(g=1;g<=b;++g)EG(a),i=c*g-1.5707963267948966,a.I[a.s]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.L[a.s]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function aH(a,b){var c,d;0==b&&(b=a.s);for(c=a.s;c>a.s-b;--c)d=GG(a,c),0!=d&&(a.I[c]+=6,a.L[c]+=6)} -function ZG(a,b,c){var d;for(d=1;d<=a.t;++d)if(a.G[d]==b&&a.H[d]==c||a.G[d]==c&&a.H[d]==b)return d;return 0}function cH(a,b,c){var d,e,f,g;e=hh;for(f=g=0;;){++g;for(d=1;d<=a.s;++d)if(Pt(c[d])){e=c[d];break}for(d=1;d<=a.s;++d)Pt(c[d])&&!Dt(c[d],e)&&(e=c[d]);for(d=1;d<=a.s;++d)Jt(c[d],e)&&(b[d]=g,c[d]=hh,++f);if(f==a.s)break}return g==a.s} -function CF(a){var b,c,d;b=v(AF,k,-1,4,1);d=c=0;a.k&&a.k.B&&0<a.k.B.b&&(c=a.k.B.b-a.k.X,d=a.k.B.a-3*a.k.X);if(0>=c||0>=d)a.v=!0;else{BF(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.k.ob)for(b=1;b<=a.s;++b)a.I[b]+=c,a.L[b]+=d;DF(a)}} -function BF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.s;++c)a.I[c]<f&&(f=a.I[c]),a.I[c]>d&&(d=a.I[c]),a.L[c]<g&&(g=a.L[c]),a.L[c]>e&&(e=a.L[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)} -function zG(a,b,c){var d;if(1==c)++a.z[b];else if(-1==c)--a.z[b];else switch(d=dH(a,b),-1==d&&0==c&&(0==a.z[b]?a.z[b]=1:1==a.z[b]?a.z[b]=-1:-1==a.z[b]&&(a.z[b]=0)),a.b[b]){case 2:2<d&&wr(a.k,"Charge change not possible on this boron !");0==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0);break;case 3:3<d?wr(a.k,"Charge change not possible on this carbon !"):4>d&&(0==a.z[b]?a.z[b]=-1:-1==a.z[b]?a.z[b]=1:1==a.z[b]&&(a.z[b]=0));break;case 4:case 7:3<d?wr(a.k,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.z[b]?a.z[b]=1:3==d&&1==a.z[b]?a.z[b]=0:3>d&&0==a.z[b]?a.z[b]=1:3>d&&1==a.z[b]?a.z[b]=-1:3>d&&-1==a.z[b]&&(a.z[b]=0);break;case 5:case 8:case 13:2<d?wr(a.k,"Charge change not possible on multibonded O or S !"):2==d&&0==a.z[b]?a.z[b]=1:2==d&&1==a.z[b]?a.z[b]=0:2>d&&0==a.z[b]?a.z[b]=-1:2>d&&-1==a.z[b]?a.z[b]=1:2>d&&1==a.z[b]&&(a.z[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.z[b]?a.z[b]=-1:0==d&&-1==a.z[b]?a.z[b]=0:wr(a.k,"Charge change not possible on the halogen !");break;case 18:wr(a.k, -"Use X button to change charge on the X atom !")}} -function fG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=v(H,r,-1,a.s+1,1);;){for(e=1;e<=a.s;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=v(H,r,-1,f+1,1);for(c=1;c<=a.s;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.s;1<=c;--c)a.a[c]!=d&&oG(a,c);CF(a);wr(a.k,"Smaller part(s) removed !");return 1} -function GG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.s;++e)b!=e&&(c=a.I[b]-a.I[e],d=a.L[b]-a.L[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function KG(a){var b,c,d;for(d=1;d<=a.t;++d){b=a.G[d];c=a.H[d];if(1==a.z[b]&&-1==a.z[c]||-1==a.z[b]&&1==a.z[c])if(1==a.r[d]||2==a.r[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.k.vb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.z[b]=0;a.z[c]=0;++a.r[d];qG(a)}1==a.z[b]&&1==a.z[c]&&(2==a.r[d]?a.r[d]=1:3==a.r[d]&&(a.r[d]=2),qG(a));4==a.r[d]&&(a.r[d]=1)}} -function YG(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 UD(a){var b;eH(a);b=a.r.length;a.J=v(H,r,-1,b,1);a.M=v(H,r,-1,b,1);DF(a);qG(a)} -function EG(a){var b,c;++a.s;a.s>a.b.length-1&&(c=a.b.length+10,b=v(H,r,-1,c,1),GE(a.b,b,a.b.length),a.b=b,b=v(H,r,-1,c,1),GE(a.z,b,a.z.length),a.z=b,b=v(H,r,-1,c,1),GE(a.w,b,a.w.length),a.w=b,b=v(H,r,-1,c,1),GE(a.d,b,a.d.length),a.d=b,b=v(nt,k,1,c,0),GE(a.c,b,a.c.length),a.c=b,b=v(nt,k,1,c,0),GE(a.n,b,a.n.length),a.n=b,b=v(AF,k,-1,c,1),GE(a.I,b,a.I.length),a.I=b,b=v(AF,k,-1,c,1),GE(a.L,b,a.L.length),a.L=b,b=ct([c,7]),GE(a.F,b,a.F.length),a.F=b,c=v(H,r,-1,c,1),GE(a.y,c,a.y.length),a.y=c);a.b[a.s]= -3;a.z[a.s]=0;a.d[a.s]=0;a.c[a.s]=null;a.w[a.s]=0}function ZF(a,b,c,d,e,f){var g;g=L(K(wE(a.I[b]-c/2)));f||(g-=d-c);a=L(K(wE(a.L[b]-~~(e/2))));return new Fz(g-1-2,a-2,d+1+4,e+4)} -function JG(a){var b,c;++a.t;a.t>a.r.length-1&&(b=a.r.length+10,c=v(H,r,-1,b,1),GE(a.G,c,a.G.length),a.G=c,c=v(H,r,-1,b,1),GE(a.H,c,a.H.length),a.H=c,c=v(H,r,-1,b,1),GE(a.r,c,a.r.length),a.r=c,c=v(H,r,-1,b,1),GE(a.A,c,a.A.length),a.A=c,c=v(H,r,-1,b,1),GE(a.J,c,a.J.length),a.J=c,c=v(H,r,-1,b,1),GE(a.M,c,a.M.length),a.M=c,b=v(nt,k,1,b,0),GE(a.e,b,a.e.length),a.e=b);a.r[a.t]=1;a.A[a.t]=0;a.e[a.t]=null} -function uG(a,b){var c,d,e,f,g,i,h;if(0==a.s)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(jF(),aa);i+="JME 2013-04-10 "+new UE+"\n \n";i+=tG(a.s,3)+tG(a.t,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.s;++e)a.L[e]>g&&(g=a.L[e]),a.I[e]<c&&(c=a.I[e]);for(e=1;e<=a.s;++e){i+=MG(0.055999999999999994*(a.I[e]-c),10,4)+MG(0.055999999999999994*(g-a.L[e]),10,4)+MG(0,10,4);h=YF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.z[e]&&4>a.z[e]?d=4-a.z[e]:0>a.z[e]&&-4<a.z[e]&&(d=4-a.z[e]);h=" 0"+tG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.x;++d)if(a.p[d][0]==e){f=a.p[d][1];break}-1<f?h+=tG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.t;++e)g=a.r[e],1==a.r[e]?g=1:fH(a,e)&&(g=2),c=tG(a.G[e],3)+tG(a.H[e],3),d=0,1==a.r[e]&&1==a.A[e]?d=1:1==a.r[e]&&2==a.A[e]&&(d=6),1==a.r[e]&&3==a.A[e]&&(d=1,c=tG(a.H[e],3)+tG(a.G[e],3)),1==a.r[e]&&4==a.A[e]&&(d=6,c=tG(a.H[e],3)+tG(a.G[e],3)),i+=c+tG(g,3)+tG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.s;++e)0!=a.z[e]&&(i+="M CHG 1"+tG(e,4)+tG(a.z[e],4)+aa);return i+"M END\n"} -function NG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,O,X,ca,M,hc,Cc,Uf,vb,Kd,Ld,Md,kb,Dc;o=v(H,r,-1,a.s+10,1);n=v(H,r,-1,a.s+10,1);l=v(H,r,-1,a.s+1,1);m=v(H,r,-1,7,1);vb=v(H,r,-1,a.s+1,1);w=v(gH,k,-1,a.s+1,2);G=v(gH,k,-1,a.t+1,2);hc=0;if(0==a.s)return j;fG(a,!0);Uf=!0;for(h=1;h<=a.t;++h)if(9==a.r[h]){Uf=!1;break}if(a.k.r&&Uf){hH(a);KG(a);iH(a,G);jH(a,w,G);var Bb,od,Ye,Yb,se,pd,qd,eb,cI,Od,t,wa,Em,Fm,xs,ef,Ma,Gm,Hm,Gc,Im;Bb=v(H,r,-1,a.s+1,1);od=v(H,r,-1,a.s+1,1);eb=v(kH,k,-1,a.s+1,3);var ys=a.s,Jm, -lh,zs,fg,vj,ze,ff;vj=v(kH,k,-1,ys+2,3);ze=v(H,r,-1,100,1);ff=5;fg=0;ze[0]=3;vj[1]=jh;vj[2]=kh;zs=2;if(!(3>ys))for(;ff<ze[fg]*ze[fg];){lh=0;for(Jm=!0;Jm&&lh<=fg&&ff>=ze[lh]*ze[lh];)0==ff%ze[lh]?Jm=!1:++lh;if(Jm){vj[++zs]=Mt(ff);if(zs>=ys)break;fg<ze.length-1&&(++fg,ze[fg]=ff)}ff+=2}for(t=1;t<=a.s;++t){for(wa=Hm=1;wa<=a.t;++wa)(a.G[wa]==t||a.H[wa]==t)&&(Hm*=a.f[wa]);Gm=a.b[t];18==Gm&&(Im=a.n[t],pd=Im.charCodeAt(0)-65+1,qd=0,1<Im.length&&(qd=Im.charCodeAt(1)-97),0>pd&&(pd=0),0>qd&&(qd=0),Gm=28*pd+qd); -ef=0;-2>a.z[t]?ef=1:-2==a.z[t]?ef=2:-1==a.z[t]?ef=3:1==a.z[t]?ef=4:2==a.z[t]?ef=5:2<a.z[t]&&(ef=6);Gc=1;eb[t]=Mt(Hm);Gc*=126;eb[t]=Ht(eb[t],Mt(a.w[t]*Gc));Gc*=7;eb[t]=Ht(eb[t],Mt(ef*Gc));Gc*=7;eb[t]=Ht(eb[t],Mt(Gm*Gc));Gc*=783;eb[t]=Ht(eb[t],Mt(a.y[t]*Gc))}for(se=0;!cH(a,Bb,eb);){xs=!1;for(t=1;t<=a.s;++t)Bb[t]!=od[t]&&(od[t]=Bb[t],xs=!0);if(xs){for(t=1;t<=a.s;++t){eb[t]=ih;for(wa=1;wa<=a.y[t];++wa)eb[t]=Qt(eb[t],vj[Bb[a.F[t][wa]]])}se=0}else if(0<se){for(t=1;t<=a.s;++t)eb[t]=ih;t=1;a:for(;t<=a.s- -1;++t)for(wa=t+1;wa<=a.s;++wa)if(Bb[t]==Bb[wa]){eb[t]=jh;break a}}else{for(t=1;t<=a.s;++t){eb[t]=ih;for(wa=1;wa<=a.y[t];++wa)Ye=a.F[t][wa],eb[t]=Qt(eb[t],Mt(a.b[Ye]*a.f[ZG(a,t,Ye)]))}se=1}cH(a,Bb,eb);for(t=1;t<=a.s;++t)eb[t]=Mt(od[t]*a.s+Bb[t])}for(t=1;t<=a.s;++t)od[t]=Bb[t];for(Ma=1;Ma<=a.s;++Ma)for(t=1;t<=a.s;++t)if(od[t]==Ma){a.b[0]=a.b[t];a.z[0]=a.z[t];a.I[0]=a.I[t];a.L[0]=a.L[t];a.y[0]=a.y[t];a.b[t]=a.b[Ma];a.z[t]=a.z[Ma];a.I[t]=a.I[Ma];a.L[t]=a.L[Ma];a.y[t]=a.y[Ma];a.b[Ma]=a.b[0];a.z[Ma]=a.z[0]; -a.I[Ma]=a.I[0];a.L[Ma]=a.L[0];a.y[Ma]=a.y[0];od[t]=od[Ma];od[Ma]=Ma;a.n[0]=a.n[t];a.n[t]=a.n[Ma];a.n[Ma]=a.n[0];a.d[0]=a.d[t];a.d[t]=a.d[Ma];a.d[Ma]=a.d[0];a.c[0]=a.c[t];a.c[t]=a.c[Ma];a.c[Ma]=a.c[0];a.w[0]=a.w[t];a.w[t]=a.w[Ma];a.w[Ma]=a.w[0];break}for(t=1;t<=a.x;++t)a.p[t][0]=Bb[a.p[t][0]];for(t=1;t<=a.t;++t)a.G[t]=Bb[a.G[t]],a.H[t]=Bb[a.H[t]],a.G[t]>a.H[t]&&(Od=a.G[t],a.G[t]=a.H[t],a.H[t]=Od,1==a.A[t]?a.A[t]=3:2==a.A[t]?a.A[t]=4:3==a.A[t]?a.A[t]=1:4==a.A[t]&&(a.A[t]=2));for(t=1;t<a.t;++t){Fm=Em= -a.s;Yb=0;for(wa=t;wa<=a.t;++wa)a.G[wa]<Em?(Em=a.G[wa],Fm=a.H[wa],Yb=wa):a.G[wa]==Em&&a.H[wa]<Fm&&(Fm=a.H[wa],Yb=wa);Od=a.G[t];a.G[t]=a.G[Yb];a.G[Yb]=Od;Od=a.H[t];a.H[t]=a.H[Yb];a.H[Yb]=Od;Od=a.r[t];a.r[t]=a.r[Yb];a.r[Yb]=Od;Od=a.A[t];a.A[t]=a.A[Yb];a.A[Yb]=Od;cI=a.e[t];a.e[t]=a.e[Yb];a.e[Yb]=cI}UD(a);qG(a);iH(a,G);jH(a,w,G)}else{iH(a,G);a.f=v(H,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)a.f[q]=a.r[q]}c=1;a.a=v(H,r,-1,a.s+1,1);Dc=1;a.a[1]=1;for(ca=0;;){M=0;for(q=1;q<=a.y[c];++q)if(g=a.F[c][q],0<a.a[g]){if(!(a.a[g]> -a.a[c])&&g!=vb[c]){Cc=!0;for(J=1;J<=hc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Cc=!1;break}Cc&&(++hc,o[hc]=c,n[hc]=g)}}else m[++M]=g;if(0==M){if(Dc==a.s)break;c=l[ca--]}else if(1==M)vb[m[1]]=c,c=m[1],a.a[c]=++Dc;else{l[++ca]=c;e=0;for(q=1;q<=M;++q)if(h=ZG(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=ZG(a,m[q],c),2==a.f[h]||3==a.f[h]){e=m[q];break}0==e&&(e=m[1]);vb[e]=c;c=e;a.a[e]=++Dc}}vb=v(H,r,-1,a.s+1,1);b=v(H,r,-1,a.s+1,1);O=v(gH,k,-1,a.s+1,2);Kd=v(gH,k,-1,a.s+1,2);f=Dc=ca=0; -for(q=1;q<=a.s;++q)if(1==a.a[q]){c=q;break}a:for(;;){0<f&&(vb[c]=f);b[++Dc]=c;for(a.a[c]=0;;){M=e=0;X=a.s+1;q=1;b:for(;q<=a.y[c];++q){g=a.F[c][q];for(A=1;A<=hc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.a[g]&&(++M,a.a[g]<X&&(e=g,X=a.a[g]))}if(0==e){if(0==ca)break a;Kd[c]=!0;c=l[ca--]}else break}f=c;c=e;1<M&&(l[++ca]=f,O[e]=!0)}Ld=v(H,r,-1,a.t+1,1);Md=v(H,r,-1,a.s+1,1);if(a.k.Ib){var eI=vb,gM=hc,As,fI,mh,Ae,Bs,Cs,La,wj,Ds;mh=v(H,r,-1,a.s+1,1);for(La=1;La<=a.s;++La)mh[b[La]]=La;Bs=v(gH, -k,-1,a.t+1,2);for(La=1;La<=a.s;++La)As=b[La],fI=eI[As],Ae=ZG(a,As,fI),0!=Ae&&(lH(a,Ae,mh,Ld,G),Bs[Ae]=!0);for(La=1;La<=a.t;++La)Bs[La]||lH(a,La,mh,Ld,G);La=1;a:for(;La<=a.s;++La)if(!(2>a.y[La]||4<a.y[La])){Cs=Ds=0;for(wj=1;wj<=a.y[La];++wj){Ae=ZG(a,La,a.F[La][wj]);if(5==a.f[Ae])continue a;1==a.r[Ae]&&0!=mH(a,Ae,La)&&++Ds;2==a.r[Ae]&&(Cs=a.F[La][wj])}if(0!=Ds)if(0<Cs){var ha=a,hI=La,gf=mh,Sc=Md,jc=void 0,xj=void 0,Hc=void 0,Be=void 0,Ic=void 0,Km=void 0,Lm=void 0,Mm=void 0,Pd=void 0,Tc=void 0,Uc=void 0, -Es=void 0,yj=void 0,Qd=void 0,zj=void 0,Ce=void 0,Aj=void 0,Fs=void 0,Bj=void 0,De=void 0,iI=void 0,hf=void 0,jI=void 0,Gs=void 0,Cj=void 0,jf=void 0,Uc=1,xj=hI,jc=v(H,r,-1,ha.s+1,1);for(jc[1]=hI;;){Es=!1;for(Tc=1;Tc<=ha.y[xj];++Tc)if(Hc=ha.F[xj][Tc],!(Hc==jc[1]||Hc==jc[Uc-1]))if(Be=ZG(ha,xj,Hc),2==ha.r[Be]&&5!=ha.f[Be]){xj=jc[++Uc]=Hc;Es=!0;break}if(!Es)break}if(!(0==Uc%2||2>ha.y[jc[Uc]]||3<ha.y[jc[Uc]])){jf=jc[1];Ic=jc[~~((Uc+1)/2)];Pd=jc[Uc];hf=De=Ce=Qd=0;Gs=Fs=!1;for(Tc=1;Tc<=ha.y[jf];++Tc)Hc= -ha.F[jf][Tc],Be=ZG(ha,jf,Hc),1!=ha.r[Be]||5==ha.f[Be]||(0==Qd?Qd=Hc:Ce=Hc);0<gf[Ce]&&gf[Qd]>gf[Ce]&&(Km=Qd,Qd=Ce,Ce=Km);yj=Qd;0==Qd&&(yj=Ce,Fs=!0);for(Tc=1;Tc<=ha.y[Pd];++Tc)Hc=ha.F[Pd][Tc],Be=ZG(ha,Pd,Hc),1!=ha.r[Be]||5==ha.f[Be]||(0==De?De=Hc:hf=Hc);0<gf[hf]&&gf[De]>gf[hf]&&(Km=De,De=hf,hf=Km);Bj=De;0==De&&(Bj=hf,Gs=!0);zj=mH(ha,ZG(ha,jf,Qd),jf);Aj=mH(ha,ZG(ha,jf,Ce),jf);iI=mH(ha,ZG(ha,Pd,De),Pd);jI=mH(ha,ZG(ha,Pd,hf),Pd);1<(0>zj+Aj?-(zj+Aj):zj+Aj)||0!=iI||0!=jI?wr(ha.k,"Bad stereoinfo on allene !"): -(Lm=ha.I[jc[Uc-1]]-ha.I[Pd],Mm=ha.L[jc[Uc-1]]-ha.L[Pd],Cj=Math.sqrt(Lm*Lm+Mm*Mm),0.001>Cj&&(Cj=0.001),0<(ha.L[Bj]-ha.L[jc[Uc-1]])*(Lm/Cj)-(ha.I[Bj]-ha.I[jc[Uc-1]])*(Mm/Cj)?Sc[Ic]=1:Sc[Ic]=-1,Fs&&(Sc[Ic]*=-1),Gs&&(Sc[Ic]*=-1),yj==Qd&&0>zj&&(Sc[Ic]*=-1),yj==Ce&&0>Aj&&(Sc[Ic]*=-1),gf[yj]>gf[Bj]&&(Sc[Ic]*=-1))}}else b:{var kc=a,lc=La,hM=eI,iM=mh,jM=o,kM=n,lM=gM,Nm=Md,Om=void 0,Vc=void 0,Hs=void 0,nh=void 0,ya=void 0,oh=void 0,sd=void 0,Dj=void 0,Rd=void 0,Nb=void 0,ea=void 0,Db=void 0,Ee=void 0,Pm=void 0, -Wc=void 0,ma=void 0,Qm=void 0,Db=v(H,r,-1,4,1),Pm=v(H,r,-1,4,1),ph=kc,Sd=lc,kI=iM,Is=hM,lI=jM,mI=kM,mM=lM,Eb=Db,Ej=void 0,Xc=void 0,Rm=void 0,Sm=void 0,Js=void 0,Fj=void 0,Fj=-1;0<Is[Sd]&&(Eb[++Fj]=Is[Sd]);for(Xc=1;Xc<=mM;++Xc)lI[Xc]==Sd&&(Eb[++Fj]=mI[Xc]),mI[Xc]==Sd&&(Eb[++Fj]=lI[Xc]);for(Xc=Fj+1;Xc<ph.y[Sd];++Xc){Js=ph.s+1;Rm=1;c:for(;Rm<=ph.y[Sd];++Rm){Ej=ph.F[Sd][Rm];for(Sm=0;Sm<Xc;++Sm)if(Ej==Eb[Sm])continue c;kI[Ej]<Js&&(Js=kI[Ej],Eb[Xc]=Ej)}}0==Is[Sd]&&0<ph.w[Sd]?(Eb[3]=Eb[2],Eb[2]=Eb[1],Eb[1]= -Eb[0],Eb[0]=-1):0<ph.w[Sd]&&(Eb[3]=Eb[2],Eb[2]=Eb[1],Eb[1]=-1);for(ya=Dj=oh=nh=Qm=sd=Nb=0;4>ya;++ya)0>=Db[ya]||(Om=ZG(kc,lc,Db[ya]),Pm[ya]=mH(kc,Om,lc),0<Pm[ya]?(++Nb,Qm=Db[ya],oh=Db[ya]):0>Pm[ya]?(++sd,nh=Db[ya],oh=Db[ya]):Dj=Db[ya]);Rd=Nb+sd;ma=v(H,r,-1,4,1);Wc=0;if(3==kc.y[lc]){if(1==Nb&&1==sd||3==Rd&&0<Nb&&0<sd){wr(kc.k,"Error in C3H stereospecification !");break b}Ee=Db[0];1==Rd?Ee=oh:2==Rd&&(Ee=Dj);ea=XG(kc,lc,Ee,Db);ma[0]=oh;ma[1]=-1;ma[2]=ea[2];ma[3]=ea[1];0<Nb?Wc=1:Wc=-1}else if(4==kc.y[lc])if(1== -Rd)ea=XG(kc,lc,oh,Db),ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],0<Nb?Wc=1:Wc=-1;else{Ee=Db[0];1<Dj&&(Ee=Dj);1==Nb?Ee=Qm:1==sd&&(Ee=nh);ea=XG(kc,lc,Ee,Db);Vc=v(H,r,-1,4,1);for(ya=0;4>ya;++ya)Om=ZG(kc,lc,ea[ya]),Vc[ya]=mH(kc,Om,lc);if(4==Rd){if(0==Nb||0==sd){wr(kc.k,"Error in C4 stereospecification !");break b}if(1==Nb||1==sd)ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],Wc=Vc[0];else{for(ya=0;4>ya;++ya)-1==Vc[ya]&&(Vc[ya]=0);Rd=2}}else if(3==Rd)if(3==Nb||3==sd)ma[0]=ea[0],ma[1]=ea[3],ma[2]= -ea[2],ma[3]=ea[1],0<Nb?Wc=-1:Wc=1;else{1==Nb?Nb=Hs=1:sd=Hs=-1;for(ya=0;4>ya;++ya)Vc[ya]==Hs&&(Vc[ya]=0);Rd=2}if(2==Rd)if(1==Nb&&1==sd)ea[1]==nh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==nh&&(ea[2]=ea[3]),ma[0]=Qm,ma[1]=nh,ma[2]=ea[2],ma[3]=ea[1],Wc=1;else{if(Vc[0]==Vc[1]||Vc[1]==Vc[2]){wr(kc.k,"Error in C4 stereospecification ! 2/0r");break b}0!=Vc[0]?(ma[0]=ea[0],ma[1]=ea[2],ma[2]=ea[1],ma[3]=ea[3]):(ma[0]=ea[1],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[0]);1<Nb?Wc=1:Wc=-1}}var V=ma,Gj=Db,mb=void 0;Gj[0]==V[1]?(mb= -V[0],V[0]=V[1],V[1]=mb,mb=V[2],V[2]=V[3],V[3]=mb):Gj[0]==V[2]?(mb=V[2],V[2]=V[0],V[0]=mb,mb=V[1],V[1]=V[3],V[3]=mb):Gj[0]==V[3]&&(mb=V[3],V[3]=V[0],V[0]=mb,mb=V[1],V[1]=V[2],V[2]=mb);Gj[1]==V[2]?(mb=V[1],V[1]=V[2],V[2]=mb,mb=V[2],V[2]=V[3],V[3]=mb):Gj[1]==V[3]&&(mb=V[1],V[1]=V[3],V[3]=mb,mb=V[2],V[2]=V[3],V[3]=mb);ma[2]==Db[2]?Nm[lc]=1:ma[2]==Db[3]?Nm[lc]=-1:wr(kc.k,"Error in stereoprocessing ! - t30");Nm[lc]*=Wc}}}kb=new FE;i=v(H,r,-1,a.s+1,1);for(q=1;q<=a.s;++q)i[b[q]]=q;for(q=1;q<=a.s;++q){c=b[q]; -O[c]&&jn(kb.a,ua);0<vb[q]&&nH(a,c,vb[c],kb,Ld);var qh=w[c],Fb=void 0,Hj=void 0,rh=void 0,S=void 0,S=Oc,Fb=!1;0!=a.z[c]&&(Fb=!0);0!=Md[c]&&(Fb=!0);rh=-1;for(Hj=1;Hj<=a.x;++Hj)if(a.p[Hj][0]==c){rh=a.p[Hj][1];break}-1<rh&&(Fb=!0);a.k.Hb&&0<a.d[c]&&(Fb=!0,rh=1);switch(a.b[c]){case 2:S=yb;break;case 3:qh?S="c":S=Cb;break;case 4:qh?(S=Bf,0<a.w[c]&&(Fb=!0)):S=dc;break;case 5:qh?S="o":S=oc;break;case 7:qh?(S="p",0<a.w[c]&&(Fb=!0)):S=qc;break;case 8:qh?S=mg:S=Bc;break;case 13:qh?S=pg:S=Fc;Fb=!0;break;case 6:S= -Jc;Fb=!0;break;case 9:S=Qb;break;case 10:S=Jb;break;case 11:S=Ab;break;case 12:S=Wb;break;case 1:S=Ub;Fb=!0;break;case 19:S=rc;Fb=!0;break;case 20:S=sc;Fb=!0;break;case 21:S=tc;Fb=!0;break;case 22:S=uc;Fb=!0;break;case 18:Fb=!0,S=a.n[c],(D(S,xa)||D(S,Zc)||D(S,tb))&&(Fb=!1)}Fb&&(S=Pc+S,1==Md[c]?S+=sb:-1==Md[c]&&(S+="@@"),1==a.w[c]?S+=Ub:1<a.w[c]&&(S+=Ub+a.w[c]),0!=a.z[c]&&(0<a.z[c]?S+=za:S+=Ca,1<Rj(a.z[c])&&(S+=Rj(a.z[c]))),-1<rh&&(S+=jb+rh),S+=Rc);jn(kb.a,S);for(A=1;A<=hc;++A)if(o[A]==c||n[A]==c)d= -n[A],d==c&&(d=o[A]),i[c]<i[d]&&nH(a,o[A],n[A],kb,Ld),9<A&&jn(kb.a,"%"),kn(kb,j+(new R(A)).a);Kd[c]&&jn(kb.a,va)}return Yn(kb.a)} -function oG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.t;++e)c=a.G[e],d=a.H[e],c!=b&&d!=b&&(++f,a.G[f]=c,c>b&&--a.G[f],a.H[f]=d,d>b&&--a.H[f],a.r[f]=a.r[e],a.A[f]=a.A[e],a.J[f]=a.J[e],a.M[f]=a.M[e],a.e[f]=a.e[e]);a.t=f;for(e=b;e<a.s;++e){a.b[e]=a.b[e+1];a.z[e]=a.z[e+1];a.I[e]=a.I[e+1];a.L[e]=a.L[e+1];a.w[e]=a.w[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.y[e]=a.y[e+1];a.n[e]=a.n[e+1];for(f=1;f<=a.y[e];++f)a.F[e][f]=a.F[e+1][f]}--a.s;if(0==a.s)LD(a.k);else{for(e=1;e<=a.s;++e){d=0;for(f=1;f<=a.y[e];++f)c=a.F[e][f], -c==b?++a.w[e]:(c>b&&--c,a.F[e][++d]=c);a.y[e]=d}e=1;a:for(;e<=a.x;++e)if(a.p[e][0]==b){for(f=e;f<a.x;++f)a.p[f][0]=a.p[f+1][0],a.p[f][1]=a.p[f+1][1];--a.x;break a}for(e=1;e<=a.x;++e)a.p[e][0]>b&&--a.p[e][0]}} -function pG(a,b){var c,d,e,f;c=a.G[b];d=a.H[b];for(e=b;e<a.t;++e)a.G[e]=a.G[e+1],a.H[e]=a.H[e+1],a.r[e]=a.r[e+1],a.A[e]=a.A[e+1],a.J[e]=a.J[e+1],a.M[e]=a.M[e+1],a.e[e]=a.e[e+1];--a.t;f=0;for(e=1;e<=a.y[c];++e)a.F[c][e]!=d&&(a.F[c][++f]=a.F[c][e]);a.y[c]=f;f=0;for(e=1;e<=a.y[d];++e)a.F[d][e]!=c&&(a.F[d][++f]=a.F[d][e]);a.y[d]=f;c<d&&(f=c,c=d,d=f);0==a.y[c]&&oG(a,c);0==a.y[d]&&oG(a,d)} -function hH(a){var b,c,d;if(!a.k.M){c=a.s;a:for(;1<=c;--c)if(d=a.F[c][1],1==a.b[c]&&1==a.y[c]&&0==a.z[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.x;++b)if(a.p[b][0]==c)continue a;b=ZG(a,c,d);1==a.r[b]&&(0==a.A[b]||!a.k.Ib)&&oG(a,c)}}}function eH(a){var b;b=a.b.length;a.F=ct([b,7]);a.y=v(H,r,-1,b,1);for(b=1;b<=a.s;++b)a.y[b]=0;for(b=1;b<=a.t;++b)6>a.y[a.G[b]]&&(a.F[a.G[b]][++a.y[a.G[b]]]=a.H[b]),6>a.y[a.H[b]]&&(a.F[a.H[b]][++a.y[a.H[b]]]=a.G[b])} -function jH(a,b,c){var d,e,f,g,i,h,l,m,o;a.f=v(H,r,-1,a.t+1,1);o=v(gH,k,-1,a.s+1,2);for(h=1;h<=a.s;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.y[h];++d)if(c[ZG(a,h,a.F[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.y[h]+a.w[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.t;++i)1==a.r[i]?a.f[i]=1:fH(a,i)?a.f[i]=2:3==a.r[i]&&(a.f[i]=3);i=1;a:for(;i<=a.t;++i)if(c[i]&&(f=a.G[i],g=a.H[i],o[f]&&o[g])){d=v(gH,k,-1,a.s+1,2);for(h=1;h<=a.y[f];++h)e=a.F[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.s;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.y[h];++l){e=a.F[h][l];if(e==g){b[f]=!0;b[g]=!0;a.f[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function DF(a){var b,c,d;for(d=1;d<=a.t;++d)b=a.G[d],c=a.H[d],a.J[d]=L(K(wE((a.I[b]+a.I[c])/2))),a.M[d]=L(K(wE((a.L[b]+a.L[c])/2)))}function iH(a,b){var c;for(c=1;c<=a.t;++c)$F(a,a.G[c],a.H[c])?b[c]=!1:b[c]=!0}function YF(a,b){var c;c=(jF(),xD)[a.b[b]];18==a.b[b]&&(c=a.n[b]);return c} -function fH(a,b){return 2==a.r[b]?!0:!1}function $F(a,b,c){var d,e,f,g;g=1;a.a=v(H,r,-1,a.s+1,1);for(d=1;d<=a.s;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.y[b];++d)a.F[b][d]!=c&&(a.a[a.F[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.s;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.y[d];++e)0==a.a[a.F[d][e]]&&(a.a[a.F[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]} -function CG(a){var b,c;a.k.Q=!0;if(a.k.Hb)a.j=-1,0==a.d[a.C]?a.d[a.C]=4:a.d[a.C]=0;else{for(b=1;b<=a.x;++b)if(a.C==a.p[b][0]){if(-1==a.k.x){for(;b<a.x;++b)a.p[b][0]=a.p[b+1][0],a.p[b][1]=a.p[b+1][1];--a.x}else c=a.k.x,a.k.p&&(a.k.fb||++a.q,c=a.q),a.p[b][1]=c;return}b=a.p.length;++a.x>b-1&&(b=ct([b+5,2]),GE(a.p,b,a.p.length),a.p=b);a.p[a.x][0]=a.C;c=a.k.x;a.k.p&&(a.k.fb||++a.q,c=a.q);a.p[a.x][1]=c}}function vD(a){var b;a.x=0;a.q=0;NG(a);for(b=1;b<=a.s;++b)a.C=b,CG(a);a.C=0} -function nG(a){var b,c;b=v(AF,k,-1,4,1);BF(a,b);c=a.k.B.b;a.k.y||(c-=a.k.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function wF(a,b){var c,d,e,f,g,i,h,l;c=v(AF,k,-1,4,1);BF(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.s;++g)h=a.I[g]*f+a.L[g]*i,l=-a.I[g]*i+a.L[g]*f,a.I[g]=h,a.L[g]=l;BF(a,c);for(g=1;g<=a.s;++g)a.I[g]+=d-c[0],a.L[g]+=e-c[1]} -function LG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.t;++d)b=a.I[a.G[d]]-a.I[a.H[d]],c=a.L[a.G[d]]-a.L[a.H[d]],f+=Math.sqrt(b*b+c*c);0<a.t?(f/=a.t,e=25*a.k.A/f):1<a.s&&(e=75*a.k.A/Math.sqrt((a.I[1]-a.I[2])*(a.I[1]-a.I[2])+(a.L[1]-a.L[2])*(a.L[1]-a.L[2])));for(d=1;d<=a.s;++d)a.I[d]*=e,a.L[d]*=e} -function sG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Pc)&&yE(c,Rc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.n[b]=c,a.w[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(nb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(jb);e=c.indexOf(Ub);g=Qj(c.indexOf(za),c.indexOf(Ca));if(-1<d){i=Ev(c,d+1);try{a.k.x=HC(i,10)}catch(h){if(h=Ki(h),y(h,74))a.k.x=0;else throw h;}a.C=b;CG(a);c=c.substr(0,d-0);a.C=0}if(f)a.n[b]=c,a.b[b]=18,a.w[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.b[b]=D(d,Cb)?3:D(d,yb)?2:D(d,dc)?4:D(d,oc)?5:D(d,qc)?7:D(d,Bc)?8:D(d,Qb)?9:D(d,Jb)?10:D(d,Ab)?11:D(d,Wb)?12:D(d,Ub)?1:D(d,Fc)?13:D(d,Jc)?6:D(d,rc)?19:D(d,sc)?20:D(d,tc)?21:D(d,uc)?22:18;18==a.b[b]&&(a.n[b]=d);c+=ba;d=0;0<e&&(d=1,e=xE(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.w[b]=d);d=0;if(0<g&&(e=xE(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=xE(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=xE(c,g++);for(;45==e;)--d,e=xE(c,g++)}a.z[b]=d}}} -function AD(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new aD(b);try{for(;b.j=UC(b,b.a),b.j<b.i;)d=sE(HC(XC(b),10)).a,c=e=sE(HC(XC(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Ki(f),y(f,74))gn(f);else throw f;}}function nH(a,b,c,d,e){b=ZG(a,b,c);5!=a.f[b]&&fH(a,b)?jn(d.a,pb):3==a.r[b]?jn(d.a,la):9==a.r[b]?(e=rb,a=a.e[b],null!=a&&(e=a),jn(d.a,e)):1==e[b]?jn(d.a,Xa):-1==e[b]&&jn(d.a,Qc)} -function DG(a,b){var c,d;if(1==a.r[b])if(c=a.G[b],d=a.H[b],2>a.y[c]&&2>a.y[d])a.A[b]=0,wr(a.k,"Stereomarking meaningless on this bond !");else switch(a.A[b]){case 0:a.y[d]<=a.y[c]?a.A[b]=1:a.A[b]=3;break;case 1:a.A[b]=2;break;case 2:2<a.y[d]?a.A[b]=3:a.A[b]=1;break;case 3:a.A[b]=4;break;case 4:2<a.y[c]?a.A[b]=1:a.A[b]=3}else 2==a.r[b]?10==a.A[b]?a.A[b]=0:a.A[b]=10:wr(a.k,"Stereomarking allowed only on single and double bonds!")} -function lH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.r[b]||5==a.f[b])&&(10==a.A[b]||a.k.o&&!e[b]))if(e=a.G[b],f=a.H[b],!(2>a.y[e]||2>a.y[f]||3<a.y[e]||3<a.y[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.y[e];++l)g=a.F[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=ZG(a,e,m);0!=d[h]?b=m:1==a.r[h]&&5!=a.f[h]&&(b=m);0==b&&(h=ZG(a,e,o),0!=d[h]?b=o:1==a.r[h]&&5!=a.f[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.y[f];++l)g=a.F[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=ZG(a,f,o);1==a.r[h]&&5!=a.f[h]&&0==d[h]&&(m=o);0==m&&(h=ZG(a,f,i),1==a.r[h]&&5!=a.f[h]&&(m=i));if(!(0==b||0==m))if(h=a.I[f]-a.I[e],g=a.L[f]-a.L[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.L[b]-a.L[e])*h-(a.I[b]-a.I[e])*g,q=(a.L[m]-a.L[e])*h-(a.I[m]-a.I[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))wr(a.k,"Not unique E/Z geometry !");else{i=ZG(a,b,e);f=ZG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.y[b];++l)if(g=a.F[b][l],g!=e&&(h=ZG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function dH(a,b){var c,d,e;e=0;for(d=1;d<=a.y[b];++d)if(c=ZG(a,b,a.F[b][d]),1==a.r[c])e+=1;else if(fH(a,c))e+=2;else if(3==a.r[c])e+=3;else if(9==a.r[c])return-1;return e}function mH(a,b,c){var d;d=a.A[b];return 1>d||4<d?0:1==d&&a.G[b]==c?1:2==d&&a.G[b]==c?-1:3==d&&a.H[b]==c?1:4==d&&a.H[b]==c?-1:0} -function qG(a){var b;for(b=1;b<=a.s;++b){var c=a,d=b,e=void 0,e=dH(c,d);if(-1==e)c.w[d]=0;else{switch(c.b[d]){case 1:2==e?c.z[d]=1:c.z[d]=0;c.w[d]=0;break;case 2:3==e||5==e?(c.w[d]=0,c.z[d]=0):3>e?c.w[d]=3-e-c.z[d]:4==e?(c.z[d]=-1,c.w[d]=0):5<e&&(c.z[d]=e-5,c.w[d]=0);break;case 3:case 6:4>e?0<c.z[d]?c.w[d]=2-e+c.z[d]:0>c.z[d]?c.w[d]=2-e-c.z[d]:c.w[d]=4-e:(c.z[d]=e-4,c.w[d]=4-e+c.z[d]);break;case 4:case 7:3>e?c.w[d]=3-e+c.z[d]:3==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:(c.z[d]= -4==e?1:6==e?-1:e-5,c.w[d]=0);break;case 5:2==e&&(0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0);2<e&&(c.z[d]=e-2);c.w[d]=2-e+c.z[d];break;case 8:case 13:2>e?c.w[d]=2-e+c.z[d]:2==e?0>c.z[d]?(c.z[d]=0,c.w[d]=0):0<c.z[d]?c.w[d]=c.z[d]:c.w[d]=0:3==e?2==c.y[d]?(c.z[d]=0,c.w[d]=1):(c.z[d]=1,c.w[d]=0):4==e?(c.z[d]=0,c.w[d]=0):5==e?(c.z[d]=0,c.w[d]=1):(c.z[d]=e-6,c.w[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.z[d]=e-1);c.w[d]=1-e+c.z[d];2<e&&(c.z[d]=0,c.w[d]=0);break;case 19:case 18:c.w[d]= -0}0>c.w[d]&&(c.w[d]=0)}}}function EF(a){WG(this);this.k=a;this.x=this.t=this.s=0} -function eG(a,b){var c,d,e,f,g,i,h;EF.call(this,a);f=j;i=cG(b);if(null!=i){h=new $C(b,i,!0);for(e=1;4>=e;++e)f=dG(h,i);g=sE(HC(Un(f.substr(0,3)),10)).a;c=sE(HC(Un(f.substr(3,3)),10)).a;for(e=1;e<=g;++e)EG(this),f=dG(h,i),this.I[e]=(new rE(oE(Un(f.substr(0,10))))).a,this.L[e]=-(new rE(oE(Un(f.substr(10,10))))).a,d=34,34>f.length&&(d=f.length),d=Un(f.substr(31,d-31)),sG(this,e,d),62<=f.length&&(f=Un(f.substr(60,3)),0<f.length&&(f=sE(HC(f,10)).a,0<f&&(this.C=e,a.x=f,CG(this),this.C=0)));for(e=1;e<=c;++e)JG(this), -f=dG(h,i),this.G[e]=sE(HC(Un(f.substr(0,3)),10)).a,this.H[e]=sE(HC(Un(f.substr(3,3)),10)).a,g=sE(HC(Un(f.substr(6,3)),10)).a,1==g?this.r[e]=1:2==g?this.r[e]=2:3==g?this.r[e]=3:this.r[e]=9,d=0,11<f.length&&(d=sE(HC(Un(f.substr(9,3)),10)).a),1==g&&1==d&&(this.r[e]=1,this.A[e]=1),1==g&&6==d&&(this.r[e]=1,this.A[e]=2);eH(this);LG(this);CF(this);for(UD(this);(h.j=UC(h,h.a),h.j<h.i)&&!(null==(f=XC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new ZC(f);XC(g);XC(g);i=sE(HC(XC(g),10)).a; -for(e=1;e<=i;++e)c=sE(HC(XC(g),10)).a,this.z[c]=sE(HC(XC(g),10)).a}if(0==f.indexOf("M APO")){g=new ZC(f);XC(g);XC(g);i=sE(HC(XC(g),10)).a;for(e=1;e<=i;++e)c=sE(HC(XC(g),10)).a,f=sE(HC(XC(g),10)).a,this.C=c,$(this,0),sG(this,this.s,rc+f),this.C=0}}hH(this);UD(this)}} -function TD(a,b){var c,d,e,f,g;EF.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));yE(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.s=0;else{try{f=new ZC(b);d=sE(HC(XC(f),10)).a;e=sE(HC(XC(f),10)).a;for(c=1;c<=d;++c)g=XC(f),EG(this),sG(this,this.s,g),this.I[c]=(new rE(oE(XC(f)))).a,this.L[c]=-(new rE(oE(XC(f)))).a;for(c=1;c<=e;++c)if(JG(this),this.G[c]=sE(HC(XC(f),10)).a,this.H[c]=sE(HC(XC(f),10)).a,this.r[c]=sE(HC(XC(f),10)).a,-1==this.r[c])this.r[c]=1,this.A[c]=1;else if(-2==this.r[c])this.r[c]= -1,this.A[c]=2;else if(-5==this.r[c])this.r[c]=2,this.A[c]=10;else if(11==this.r[c]||12==this.r[c]||13==this.r[c]||14==this.r[c])this.A[c]=this.r[c],this.r[c]=9;eH(this);LG(this);CF(this)}catch(i){i=Ki(i);if(y(i,74)){i.wc();this.s=0;return}throw i;}hH(this);UD(this)}} -function gG(a,b,c){var d,e,f;EF.call(this,a);f=v(H,r,-1,b.s+1,1);for(a=1;a<=b.s;++a)b.a[a]==c&&(EG(this),this.b[this.s]=b.b[a],this.I[this.s]=b.I[a],this.L[this.s]=b.L[a],this.z[this.s]=b.z[a],this.w[this.s]=b.w[a],this.d[this.s]=b.d[a],this.c[this.s]=b.c[a],this.n[this.s]=b.n[a],f[a]=this.s);for(a=1;a<=b.t;++a)if(d=b.G[a],e=b.H[a],!(b.a[d]!=c&&b.a[e]!=c)&&!(b.a[d]!=c||b.a[e]!=c))JG(this),this.r[this.t]=b.r[a],this.A[this.t]=b.A[a],this.G[this.t]=f[d],this.H[this.t]=f[e],this.e[this.t]=b.e[a];for(a= -1;a<=b.x;++a)d=b.p[a][0],d==c&&(++this.x,this.p[this.x][0]=f[d],this.p[this.x][1]=b.p[a][1]);this.j=b.j;UD(this);CF(this)} -function vG(a,b,c){var d,e,f,g,i;EF.call(this,a);for(a=1;a<=c;++a)this.s+=b[a].s,this.t+=b[a].t,this.x+=b[a].x;this.b=v(H,r,-1,this.s+1,1);this.z=v(H,r,-1,this.s+1,1);this.w=v(H,r,-1,this.s+1,1);this.d=v(H,r,-1,this.s+1,1);this.c=v(nt,k,1,this.s+1,0);this.I=v(AF,k,-1,this.s+1,1);this.L=v(AF,k,-1,this.s+1,1);this.n=v(nt,k,1,this.s+1,0);this.G=v(H,r,-1,this.t+1,1);this.H=v(H,r,-1,this.t+1,1);this.r=v(H,r,-1,this.t+1,1);this.e=v(nt,k,1,this.t+1,0);this.A=v(H,r,-1,this.t+1,1);this.p=ct([this.x+1,2]); -f=i=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].s;++d)++e,this.b[e]=b[a].b[d],this.I[e]=b[a].I[d],this.L[e]=b[a].L[d],this.z[e]=b[a].z[d],this.w[e]=b[a].w[d],this.d[e]=b[a].d[d],this.c[e]=b[a].c[d],this.n[e]=b[a].n[d];for(d=1;d<=b[a].t;++d)++g,this.r[g]=b[a].r[d],this.A[g]=b[a].A[d],this.G[g]=b[a].G[d]+f,this.H[g]=b[a].H[d]+f,this.e[g]=b[a].e[d];for(d=1;d<=b[a].x;++d)++i,this.p[i][0]=b[a].p[d][0]+f,this.p[i][1]=b[a].p[d][1];f=e}UD(this);CF(this)} -function qF(a){var 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f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,k,-1,9,1);l=v(H,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(lG(b,!1),mG(b,zG(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function FG(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,pE);WB(d,0,0,b,c);a.nb?(X(d,(iB(),nB)),c=13*(a.Y+a.S),kG(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,wB(pE)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,QF),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)jG(a,d,b,1),jG(a,d,b,2);a.c=c;wG(a.Ob,a.Lb,0,0)}} -function pG(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);oG(a,b,c+m-i,f,d-4-i-1,e,h)} -function GG(a,b){var c,d,e,f,g,i,h;uE(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=HG(b);h=new ED(b,g,!0);d=j;for(c=1;5>=c;++c)d=IG(h,g);c=YE(lD(jo(d.substr(0,3)),10)).b;f=YE(lD(jo(d.substr(3,3)),10)).b;IG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=IG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new JG(a,e)}dG(a,1,c,1);dG(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new JG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",PD(a),!1;null!=a.i&&a.Z&&jE(a.Z,a.i,!0);null!=a.j&& -a.Z&&jE(a.Z,a.j,!1);g=KG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new LG(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];dG(a,1,g,0)}PD(a);return!0} -function MG(a,b){var c,d,e,f,g,i,h,l;uE(a);c=f=0;l=new ED(b,"|>",!0);e=-1<b.indexOf(rb);i=1;g=xD(l);a.tb=0;for(d=1;d<=g;++d)if(h=BD(l),jo(h),!D(h,kh))if(D(h,rb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new yE(a,h);if(0==a.Z.t)return AE(a,"ERROR - problems in reading/processing molecule !"),YC(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return AE(a,"ERROR - strange reaction - fixing !"),YC(),!1;if(3<i)return AE(a,"ERROR - strange reaction !"),YC(),!1;1<a.tb&&!e&&dE(a,Ff);e&&!a.Bb&&dE(a,fg);!e&&a.Bb&& -dE(a,Jf);e?(dG(a,1,f,1),dG(a,f+1,c-1,2),dG(a,c,a.tb,3)):dG(a,1,a.tb,0);PD(a);return!0}function Sr(a,b){a.jb=!0;a.J=b} -function Wr(a,b){var c,d;if(0==b)return!1;bG(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:qE(a);d=a.$;d.b=d.c;d.c.d=null;NG(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;OG(a,LF(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new aw("Cannot redo. Index is out of range."); -if(!d.b.d)throw new aw(ac);d.b=d.b.d;OG(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=Tu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(Sr(a,fc+(a.Db.b+1)+ca+a.Db.d),d=eF(d),kE(a,d,!1),null!=a.rb&&GD(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=Tu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(Sr(a,fc+(a.Db.b+1)+ca+a.Db.d),d=eF(d),kE(a,d,!1),null!=a.rb&&GD(a.rb,null));break;case 101:a.Gb&&FF(a.Gb);a.Gb=new PG(1,a);a.c=c;break;case 107:!a.zb?a.zb=new QG(a):a.zb.ac.d.hb?RG(a.zb.ac.d): -nE(a.zb);break;case 113:a.b&&FF(a.b);a.b=new PG(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,eE(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=SG(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(eG,r,-1,4,1);fG(a.Z,d);a.lb=!0;a.Z=new VF(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;zE(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,TG(a.Z,a.Z.D),a.Z.D=0,cG(a)):0<a.Z.E&&(a.lb=!0,UG(a.Z,a.Z.E), -a.Z.E=0,cG(a));VG(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new pC;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new hC(c),nC(i,g),g.d=c,CA(g.e,a);Bz(a,i);a.E=i}oC(a.E,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(FF(a.o),a.o=null);0==a.Z.D&&(a.o=new PG(2,a));a.d=18; -break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,cG(a)),18==a.d&&(d=wo((Tr(),Ur).ac.b.pb,ch),WG(a.Z,a.Z.D,d),cG(a)),VG(a.Z))}PD(a);return!0} -function pr(a){var b,c,d;d=BE(a);c=j;if(a.Bb){var e,f,g;g=zt([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)SG(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(XG(g[1][0],3)+XG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+YG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+YG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new ZG(a,a.fb,a.tb)),c=YG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function $G(a,b,c,d){var e;e=c;var f=d,g,i;(g=aH(b),i=0!=(b.f&2),g||i)?(a.Bb?oC((!a.w&&(a.w=aE(a,!0)),a.w),a,e,f):oC((!a.v&&(a.v=aE(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=bH(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=bE+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",PD(a), -!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Wr(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)TG(a.Z,a.Z.D),a.Z.D=0,cG(a);else{if(106==a.c)return!0;if(108==a.c)cH(a.Z,a.Z.D,0),cG(a);else if(157==a.c)cH(a.Z,a.Z.D,1),cG(a);else if(158==a.c)cH(a.Z,a.Z.D,-1),cG(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):cG(a); -else if(206<=a.c&&229>=a.c)a.O=2,dH(a.Z),cG(a);else if(230==a.c)a.O=3,cG(a);else if(233<=a.c&&262>a.c)eH(a.Z,!1),cG(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;WG(a.Z,a.Z.D,wo(a.zb.f.ac.b.pb,ch));cG(a)}else if(105==a.c)fH(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=wo((Tr(),Ur).ac.b.pb,ch),1>d.length&&(d=Rc),WG(a.Z,a.Z.D,d)),cG(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,dH(a.Z),cG(a);else if(0<a.Z.E)if(104==a.c)UG(a.Z, -a.Z.E),a.Z.E=0,cG(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Sr(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;TG(d,c);d.b[c]=0}a.Z.E=0;cG(a)}else if(201==a.c)gH(a.Z,a.Z.E),cG(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),cG(a),a.Z.B[a.Z.E]=0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,cG(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,cG(a); -else if(206<=a.c&&229>=a.c)a.O=2,dH(a.Z),cG(a);else if(107==a.c){if(!a.zb.c)return!0;d=wo(a.zb.f.ac.b.pb,ch);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;cG(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new iG(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(hH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,a.Z.F=1,a.O=1,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<= -a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,dH(a.Z)):300<a.c?(hH(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=wo((Tr(),Ur).ac.b.pb,ch),1>d.length&&(d=Rc),WG(a.Z,1,d))):230==a.c?iE(a,null):233<=a.c&&262>a.c?(hH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,eH(a.Z,!0)):YC();cG(a)}else e=!1;e&&(VG(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,PD(a))}return e} -function iH(a,b,c,d){var e,f;if(a.z||!a.hb||aH(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=jH(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.j[b.v];l=b.j[b.v-1];i=b.J[g]-b.J[l];h=b.M[g]-b.M[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.J[l];n=f-b.M[l];l=-g/2+o*i+ -n*h;h=n*i-o*h;if(0>l)if(1<b.v)TG(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.j[0]]&&(m=b.G[b.j[0]][1],m==b.j[1]&&(m=b.G[b.j[0]][2]),i=b.J[b.j[0]]-b.J[m],h=b.M[b.j[0]]-b.M[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.J[m],n=f-b.M[m],e=n*i-o*h,o=b.J[b.j[1]]-b.J[m],n=b.M[b.j[1]]-b.M[m],f=n*i- -o*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.j[0],$(b,0),UG(b,e),0<jH(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){Sr(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;$(b,L(K(Math.round(h))));b.j[b.v]=b.t;0<jH(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;Sr(b.n,e+j)}else i=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(i/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(bH(b)||aH(b))aG(a.Z,e),a.O= -5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=v(eG,r,-1,4,1);fG(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.c-b.n.Y&&0<h&&h<b.n.C.b-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;bG(a);a.lb=!0;PD(a);a.Mb=c;a.Nb=d;return!0} -function kH(a,b,c,d){var e,f,g;if(!a.z&&!aH(b)){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.tb;++b){e=a.fb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((OF(),TF)?350:170)+1,n=1;n<=e.u;++n)l=i-e.K[n],m=h-e.N[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;0<a.fb[b].D&&null!=a.qb&&GD(a.qb,F(aF,r,122,[new R(a.e),new R(a.Z.D)]));break a}else if(0<a.fb[b].D||0< -a.fb[b].E)a.fb[b].D=0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.tb;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;bG(a);a.lb=!0;PD(a)}0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}} -function lH(a){if(a.z)return!0;a.jb=!1;a.P=mh;if(1==a.O){if(205==a.c){var b=a.Z,c,d;b.C&&(c=jH(b,b.t),6>b.z[c]&&(mH(b),d=b.j[b.v-1],b.H[b.u]=c,b.I[b.u]=d,b.G[c][++b.z[c]]=d,b.G[d][++b.z[d]]=c),TG(b,b.t));b.C=!1;cG(a)}else a:{var b=a.Z,e,f;c=jH(b,b.t);if(0!=c){--b.t;for(f=1;f<b.u;++f)if(d=b.H[f],e=b.I[f],d==c&&e==b.F||d==b.F&&e==c){--b.u;--b.z[b.F];3>b.s[f]?(++b.s[f],b.B[f]=0):Sr(b.n,"Maximum allowed bond order is 3 !");break a}6==b.z[c]?(--b.u,--b.z[b.F],Sr(b.n,"Not possible connection !")):(b.I[b.u]= -c,b.G[c][++b.z[c]]=b.F,b.G[b.F][b.z[b.F]]=c,b.K[b.u]=L(K(bF((b.J[b.F]+b.J[c])/2))),b.N[b.u]=L(K(bF((b.M[b.F]+b.M[c])/2))))}}hG(a.Z);a.r&&(b=a.$,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,LF(b),b.b.d=c),cG(a),a.r=!1)}else 5==a.O&&(hG(a.Z),cG(a));0<a.O&&(a.D=!1,bG(a),a.lb=!0,VG(a.Z),nH(a.Z),PD(a),a.O=0,a.f=!1);if(TF&&(0!=a.Z.E||0!=a.Z.D))a.Z.E=0,a.Z.D=0,bG(a),a.lb=!0,PD(a);return!0}function bG(a){a.kb=!1;a.mb=!1;a.lb=!1} -function dE(a,b){var c,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Ab=!1:-1<b.indexOf("rbutton")&&(a.Ab=!0);-1<b.indexOf("nohydrogens")?a.Fb=!1:-1<b.indexOf("hydrogens")&&(a.Fb=!0);-1<b.indexOf("keephs")&&(a.N=!0);-1<b.indexOf("removehs")&&(a.N=!1);-1<b.indexOf("noquery")?a.yb=!1:-1<b.indexOf("query")&&(a.yb=!0);-1<b.indexOf(Jf)?a.Bb=!1:-1<b.indexOf(fg)&&(a.Bb=!0);-1<b.indexOf("noautoez")?a.p=!1:-1<b.indexOf("autoez")&&(a.p=!0);-1<b.indexOf("nostereo")?a.Jb=!1:-1<b.indexOf("stereo")&&(a.Jb=!0); --1<b.indexOf("nocanonize")?a.s=!1:-1<b.indexOf("canonize")&&(a.s=!0);-1<b.indexOf("nomultipart")?a.ib=!1:-1<b.indexOf(Ff)&&(a.ib=!0);-1<b.indexOf("nonumber")?(a.sb=!1,a.q=!1):-1<b.indexOf(Nf)&&(a.sb=!0,a.q=!1);-1<b.indexOf("newlook")?(a.nb=!0,a.S=1):-1<b.indexOf("oldlook")&&(a.nb=!1,a.S=0);-1<b.indexOf("autonumber")&&(a.q=!0,a.sb=!0);-1<b.indexOf("star")&&(a.Ib=!0,a.sb=!0);-1<b.indexOf("polarnitro")&&(a.wb=!0);-1<b.indexOf("depict")&&(a.z=!0,a.Y=0,a.cb=null,dG(a,1,a.tb,0));if(-1<b.indexOf("nodepict")){a.z= -!1;for(c=1;c<=a.tb;++c)oH(a.fb[c]),gG(a.fb[c]);a.B=1;a.Y=24;a.Z&&(a.Z.w=!0)}-1<b.indexOf(od)&&(a.A=!0);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.pb=!0);-1<b.indexOf("jmeh")&&(a.M=!0);-1<b.indexOf("showan")&&(a.Eb=!0);a.Bb&&(a.q=!0,a.ib=!0);a.z||(a.A=!1);a.Ab&&++bE;PD(a)} -function PD(a){var b,c,d;b=xA(a);!a.C||b.c!=a.C.c||b.b!=a.C.b||!a.cb||!a.I?(a.C=b,d=b.c-a.Y,c=b.b-3*a.Y-a.S,1>d&&(d=1),1>c&&(c=1),a.cb=tA(a,d,c),yG(a),a.z||(a.Lb=tA(a,b.c,2*a.Y+a.S),FG(a),c=b.b-2*a.Y+a.S,1>c&&(c=1),a.Q=tA(a,a.Y,c),xG(a),a.I=tA(a,d,a.Y),tG(a))):(yG(a),a.z||(tG(a),a.D&&(FG(a),xG(a)),a.D=!0));a.kb=!0;a.mb=!0;a.lb=!0;a.jb=!0} -function sE(a,b){var c,d,e;e=j;for(d=1;d<=a.tb;++d){if(0<b&&(c=SG(a.fb[d]),c!=b))continue;c=a.fb[d];for(var f=void 0,g=void 0,i=void 0,h=void 0,l=g=f=void 0,m=void 0,i=void 0,m=j+c.t+ba+c.u,h=1;h<=c.t;++h){i=CG(c,h);c.n.M&&0<c.x[h]&&(i+=Xb,1<c.x[h]&&(i+=c.x[h]));0!=c.A[h]&&(0<c.A[h]?i+=ya:i+=Ca,1<Zj(c.A[h])&&(i+=Zj(c.A[h])));g=-1;for(f=1;f<=c.y;++f)if(c.q[f][0]==h){g=c.q[f][1];break}c.n.Ib&&0<c.e[h]&&(g=1);-1<g&&(i+=mb+g);m+=ba+i+ba+pH(0.055999999999999994*c.J[h],0,2)+ba+pH(0.055999999999999994*-c.M[h], -0,2)}for(h=1;h<=c.u;++h)f=c.H[h],g=c.I[h],l=c.s[h],1==c.B[h]?l=-1:2==c.B[h]?l=-2:3==c.B[h]?(l=-1,i=f,f=g,g=i):4==c.B[h]?(l=-2,i=f,f=g,g=i):10==c.B[h]&&(l=-5),9==c.s[h]&&(l=c.B[h]),m+=ba+f+ba+g+ba+l;c=m;0<c.length&&(0<e.length&&(e+=kh),e+=c)}return e}function UF(a,b){var c,d,e;e=j;for(c=1;c<=a.tb;++c){if(0<b&&(d=SG(a.fb[c]),d!=b))continue;d=qH(a.fb[c]);0<d.length&&(0<e.length&&(e+=Xa),e+=d)}return e} -function cG(a){var b;switch(a.O){case 5:case 7:case 9:break;default:null!=a.rb&&GD(a.rb,null)}var c,d,e;e=new rH;e.b=a.e;e.i=a.tb;c=!1;for(b=1;99>b;++b)if(d=a.fb[b])0<d.t&&(c=!0),e.e[b]=new VF(d),zE(e.e[b]);else break;e.j=a.Bb;e.f=a.ib;e.c=a.B;e.d=a.O;if(b=c?e:null)a=a.$,b=new NF(b),c=a.b.d,a.b.d=b,b.c=a.b,c&&(b.d=c,c.c=b),a.b=b}function kE(a,b,c){try{GG(a,b)?c&&cG(a):PD(a)}catch(d){if(d=Si(d),y(d,119))PD(a);else throw d;}} -function iE(a,b){try{MG(a,b)?cG(a):PD(a)}catch(c){if(c=Si(c),y(c,119))PD(a);else throw c;}}function wE(a){bG(a);a.lb=!0;PD(a)}function uE(a){a.c=202;a.ob=!1;a.tb=0;a.e=0;a.Z=new iG(a);a.Z.r=0;a.bb=null;a.B=1;a.lb=!0;PD(a);null!=a.rb&&GD(a.rb,null)}function OG(a,b){var c,d;a.e=b.b;a.tb=b.i;for(c=1;99>c;++c)(d=b.e[c])?(a.fb[c]=new VF(d),zE(a.fb[c])):a.fb[c]=null;a.Z=a.fb[a.e];a.Bb=b.j;a.ib=b.f;a.B=b.c;switch(b.d){case 5:case 7:case 9:break;default:null!=a.rb&&GD(a.rb,null)}} -function vE(a,b){a.jb=!0;a.J=j;return 1>b||b>a.tb?(a.jb=!0,a.J="ERROR - invalid mol index: "+b,PD(a),null):a.fb[b]}function xE(a,b){var c;c=-1;D(b,"Select substituent")?(c=202,b=j):D(b,Ha)?c=235:D(b,Ia)?c=240:D(b,Ga)?c=260:D(b,Oa)?c=261:D(b,Sa)?c=241:D(b,La)?c=233:D(b,Ka)?c=236:D(b,Ja)?c=237:D(b,Ra)?c=234:D(b,Qa)?c=243:D(b,Ta)?c=252:D(b,Pa)?c=244:D(b,Ua)?c=239:D(b,"-PO3H2")?c=251:D(b,Fa)?c=242:D(b,Da)?c=245:D(b,Ea)&&(c=238);0<c?Wr(a,c):b="Not known group!";a.jb=!0;a.J=b;PD(a)} -function AE(a,b){a.jb=!0;a.J=b;PD(a)}function BE(a){var b;b=tE(a);bG(a);PD(a);return b}function qG(a,b,c,d,e){var f,g,i,h;f=a.W;h=AC(f,e);if(h>=a.Y-1)for(g=f.d.c;h>=a.Y-1&&1<g;)--g,i=new JB(f.d.b,f.d.d,g),f=new zC(i),h=AC(f,e),b.f=i,b.j=sH(i);else uG(b,a.T);f=LB(f.b,f.d).b-LB(f.b,f.d).c;vG(b,e,c+~~((a.Y-h)/2),d+~~((a.Y-f)/2)+f)} -function rG(a,b,c,d,e,f){var g,i;g=AG(a.V);i=AC(a.V,f);uG(b,a.U);(b.e=e)&&(b.i=ig+(~~e.b>>16&255)+za+(~~e.b>>8&255)+za+(e.b&255)+va);vG(b,f,c+~~((a.Y-i)/2),d+~~((a.Y-g)/2)+g)}function AG(a){return LB(a.b,a.d).b-LB(a.b,a.d).c}function Vr(a,b){a.q?0==b&&(a.y=-1,a.jb=!0,a.J=Ed,PD(a)):(a.R?a.y=b:-1<a.y&&10>a.y?a.y=10*a.y+b:a.y=b,a.R=!1,0==a.y?(a.y=-1,a.jb=!0,a.J=Ed):Sr(a,a.y+ba),PD(a))} -function YD(){OF();rA.call(this);this.Ob=(Fq(),Fq(),Zz).b;this.x=new JB(null,0,8);this.t=(iB(),jB);this.fb=v(tH,r,135,99,0);this._=new pA;this.Db=new uH;this.K=D((YC(),ZC[Ue]),dc);this.u=new vH;this.G=F(Kt,r,1,[Ha,Ia,Sa,Ga,Oa,La,Ka,Ja,Ra,Ta,Pa,Qa,Fa,Ea,Da]);this.Z=new iG(this);SF[0]=mB;SF[1]=new kB(255,153,153);SF[2]=new kB(255,204,102);SF[3]=new kB(255,255,153);SF[4]=new kB(102,255,255);SF[5]=new kB(51,204,255);SF[6]=new kB(255,153,255)}s(543,399,{85:1,90:1,91:1,95:1,104:1,109:1,111:1,113:1},YD); 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e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+ -c*g/h,d[1]=a.M[b]+c*i/h)} -function dH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])FH(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,$(a,0),a.D=a.t,FH(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Sr(a.n,"ERROR - cannot add aromatic spiro ring 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)hH(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)hH(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)mH(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[CH(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[CH(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(H,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(bF((a.J[b]+a.J[e])/2))),a.N[c]=L(K(bF((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;mH(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(K(bF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(K(bF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(mH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(K(bF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(bF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(mH(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(K(bF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(bF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(TG(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&EH(a,i);-1<l&&(a.D=l)} -function FH(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)hH(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function EH(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=jH(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function CH(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function GH(a,b,c){var d,e,f,g;e=mh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(lu(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)lu(c[d])&&!$t(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)fu(c[d],e)&&(b[d]=g,c[d]=mh,++f);if(f==a.t)break}return g==a.t} -function gG(a){var b,c,d;b=v(eG,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{fG(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;hG(a)}} -function fG(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function cH(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=HH(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&Sr(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Sr(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Sr(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Sr(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Sr(a.n,"Charge change not possible on the halogen !");break;case 18:Sr(a.n, -"Use X button to change charge on the X atom !")}} -function KG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&TG(a,c);gG(a);Sr(a.n,"Smaller part(s) removed !");return 1} -function jH(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function nH(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];VG(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),VG(a));4==a.s[d]&&(a.s[d]=1)}} -function BH(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 zE(a){var b;IH(a);b=a.s.length;a.K=v(H,k,-1,b,1);a.N=v(H,k,-1,b,1);hG(a);VG(a)} -function hH(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,k,-1,c,1),kF(a.c,b,a.c.length),a.c=b,b=v(H,k,-1,c,1),kF(a.A,b,a.A.length),a.A=b,b=v(H,k,-1,c,1),kF(a.x,b,a.x.length),a.x=b,b=v(H,k,-1,c,1),kF(a.e,b,a.e.length),a.e=b,b=v(Kt,r,1,c,0),kF(a.d,b,a.d.length),a.d=b,b=v(Kt,r,1,c,0),kF(a.o,b,a.o.length),a.o=b,b=v(eG,r,-1,c,1),kF(a.J,b,a.J.length),a.J=b,b=v(eG,r,-1,c,1),kF(a.M,b,a.M.length),a.M=b,b=zt([c,7]),kF(a.G,b,a.G.length),a.G=b,c=v(H,k,-1,c,1),kF(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function DG(a,b,c,d,e,f){var g;g=L(K(bF(a.J[b]-c/2)));f||(g-=d-c);a=L(K(bF(a.M[b]-~~(e/2))));return new jA(g-1-2,a-2,d+1+4,e+4)} -function mH(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,k,-1,b,1),kF(a.H,c,a.H.length),a.H=c,c=v(H,k,-1,b,1),kF(a.I,c,a.I.length),a.I=c,c=v(H,k,-1,b,1),kF(a.s,c,a.s.length),a.s=c,c=v(H,k,-1,b,1),kF(a.B,c,a.B.length),a.B=c,c=v(H,k,-1,b,1),kF(a.K,c,a.K.length),a.K=c,c=v(H,k,-1,b,1),kF(a.N,c,a.N.length),a.N=c,b=v(Kt,r,1,b,0),kF(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function YG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(OF(),aa);i+="JME 2013-04-10 "+new yF+"\n \n";i+=XG(a.t,3)+XG(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=pH(0.055999999999999994*(a.J[e]-c),10,4)+pH(0.055999999999999994*(g-a.M[e]),10,4)+pH(0,10,4);h=CG(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+XG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=XG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:JH(a,e)&&(g=2),c=XG(a.H[e],3)+XG(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=XG(a.I[e],3)+XG(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=XG(a.I[e],3)+XG(a.H[e],3)),i+=c+XG(g,3)+XG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+XG(e,4)+XG(a.A[e],4)+aa);return i+"M END\n"} -function qH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,O,Y,da,M,oc,Gc,jg,tb,Rd,Sd,Td,Va,Hc;o=v(H,k,-1,a.t+10,1);n=v(H,k,-1,a.t+10,1);l=v(H,k,-1,a.t+1,1);m=v(H,k,-1,7,1);tb=v(H,k,-1,a.t+1,1);w=v(KH,r,-1,a.t+1,2);G=v(KH,r,-1,a.u+1,2);oc=0;if(0==a.t)return j;KG(a,!0);jg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){jg=!1;break}if(a.n.s&&jg){LH(a);nH(a);MH(a,G);NH(a,w,G);var Cb,vd,kf,cc,Ce,wd,xd,db,OI,Wd,t,xa,Xm,Ym,Xs,rf,Na,Zm,$m,Kc,an;Cb=v(H,k,-1,a.t+1,1);vd=v(H,k,-1,a.t+1,1);db=v(OH,r,-1,a.t+1,3);var Ys=a.t,bn, -Bh,Zs,vg,Kj,Ie,sf;Kj=v(OH,r,-1,Ys+2,3);Ie=v(H,k,-1,100,1);sf=5;vg=0;Ie[0]=3;Kj[1]=oh;Kj[2]=ph;Zs=2;if(!(3>Ys))for(;sf<Ie[vg]*Ie[vg];){Bh=0;for(bn=!0;bn&&Bh<=vg&&sf>=Ie[Bh]*Ie[Bh];)0==sf%Ie[Bh]?bn=!1:++Bh;if(bn){Kj[++Zs]=iu(sf);if(Zs>=Ys)break;vg<Ie.length-1&&(++vg,Ie[vg]=sf)}sf+=2}for(t=1;t<=a.t;++t){for(xa=$m=1;xa<=a.u;++xa)(a.H[xa]==t||a.I[xa]==t)&&($m*=a.i[xa]);Zm=a.c[t];18==Zm&&(an=a.o[t],wd=an.charCodeAt(0)-65+1,xd=0,1<an.length&&(xd=an.charCodeAt(1)-97),0>wd&&(wd=0),0>xd&&(xd=0),Zm=28*wd+xd); -rf=0;-2>a.A[t]?rf=1:-2==a.A[t]?rf=2:-1==a.A[t]?rf=3:1==a.A[t]?rf=4:2==a.A[t]?rf=5:2<a.A[t]&&(rf=6);Kc=1;db[t]=iu($m);Kc*=126;db[t]=du(db[t],iu(a.x[t]*Kc));Kc*=7;db[t]=du(db[t],iu(rf*Kc));Kc*=7;db[t]=du(db[t],iu(Zm*Kc));Kc*=783;db[t]=du(db[t],iu(a.z[t]*Kc))}for(Ce=0;!GH(a,Cb,db);){Xs=!1;for(t=1;t<=a.t;++t)Cb[t]!=vd[t]&&(vd[t]=Cb[t],Xs=!0);if(Xs){for(t=1;t<=a.t;++t){db[t]=nh;for(xa=1;xa<=a.z[t];++xa)db[t]=mu(db[t],Kj[Cb[a.G[t][xa]]])}Ce=0}else if(0<Ce){for(t=1;t<=a.t;++t)db[t]=nh;t=1;a:for(;t<=a.t- -1;++t)for(xa=t+1;xa<=a.t;++xa)if(Cb[t]==Cb[xa]){db[t]=oh;break a}}else{for(t=1;t<=a.t;++t){db[t]=nh;for(xa=1;xa<=a.z[t];++xa)kf=a.G[t][xa],db[t]=mu(db[t],iu(a.c[kf]*a.i[CH(a,t,kf)]))}Ce=1}GH(a,Cb,db);for(t=1;t<=a.t;++t)db[t]=iu(vd[t]*a.t+Cb[t])}for(t=1;t<=a.t;++t)vd[t]=Cb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(vd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];vd[t]=vd[Na];vd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Cb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Cb[a.H[t]],a.I[t]=Cb[a.I[t]],a.H[t]>a.I[t]&&(Wd=a.H[t],a.H[t]=a.I[t],a.I[t]=Wd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Ym=Xm= -a.t;cc=0;for(xa=t;xa<=a.u;++xa)a.H[xa]<Xm?(Xm=a.H[xa],Ym=a.I[xa],cc=xa):a.H[xa]==Xm&&a.I[xa]<Ym&&(Ym=a.I[xa],cc=xa);Wd=a.H[t];a.H[t]=a.H[cc];a.H[cc]=Wd;Wd=a.I[t];a.I[t]=a.I[cc];a.I[cc]=Wd;Wd=a.s[t];a.s[t]=a.s[cc];a.s[cc]=Wd;Wd=a.B[t];a.B[t]=a.B[cc];a.B[cc]=Wd;OI=a.f[t];a.f[t]=a.f[cc];a.f[cc]=OI}zE(a);VG(a);MH(a,G);NH(a,w,G)}else{MH(a,G);a.i=v(H,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,k,-1,a.t+1,1);Hc=1;a.b[1]=1;for(da=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=tb[c]){Gc=!0;for(J=1;J<=oc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Gc=!1;break}Gc&&(++oc,o[oc]=c,n[oc]=g)}}else m[++M]=g;if(0==M){if(Hc==a.t)break;c=l[da--]}else if(1==M)tb[m[1]]=c,c=m[1],a.b[c]=++Hc;else{l[++da]=c;e=0;for(q=1;q<=M;++q)if(h=CH(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=CH(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);tb[e]=c;c=e;a.b[e]=++Hc}}tb=v(H,k,-1,a.t+1,1);b=v(H,k,-1,a.t+1,1);O=v(KH,r,-1,a.t+1,2);Rd=v(KH,r,-1,a.t+1,2);f=Hc=da=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(tb[c]=f);b[++Hc]=c;for(a.b[c]=0;;){M=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=oc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++M,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Rd[c]=!0;c=l[da--]}else break}f=c;c=e;1<M&&(l[++da]=f,O[e]=!0)}Sd=v(H,k,-1,a.u+1,1);Td=v(H,k,-1,a.t+1,1);if(a.n.Jb){var QI=tb,YM=oc,$s,RI,Ch,Je,at,bt,Ma,Lj,ct;Ch=v(H,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)Ch[b[Ma]]=Ma;at=v(KH, -r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)$s=b[Ma],RI=QI[$s],Je=CH(a,$s,RI),0!=Je&&(PH(a,Je,Ch,Sd,G),at[Je]=!0);for(Ma=1;Ma<=a.u;++Ma)at[Ma]||PH(a,Ma,Ch,Sd,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){bt=ct=0;for(Lj=1;Lj<=a.z[Ma];++Lj){Je=CH(a,Ma,a.G[Ma][Lj]);if(5==a.i[Je])continue a;1==a.s[Je]&&0!=QH(a,Je,Ma)&&++ct;2==a.s[Je]&&(bt=a.G[Ma][Lj])}if(0!=ct)if(0<bt){var ia=a,TI=Ma,tf=Ch,Xc=Td,qc=void 0,Mj=void 0,Lc=void 0,Ke=void 0,Mc=void 0,cn=void 0,dn=void 0,en=void 0,Xd=void 0,Yc=void 0,Zc=void 0, -dt=void 0,Nj=void 0,Yd=void 0,Oj=void 0,Le=void 0,Pj=void 0,et=void 0,Qj=void 0,Me=void 0,UI=void 0,uf=void 0,VI=void 0,ft=void 0,Rj=void 0,vf=void 0,Zc=1,Mj=TI,qc=v(H,k,-1,ia.t+1,1);for(qc[1]=TI;;){dt=!1;for(Yc=1;Yc<=ia.z[Mj];++Yc)if(Lc=ia.G[Mj][Yc],!(Lc==qc[1]||Lc==qc[Zc-1]))if(Ke=CH(ia,Mj,Lc),2==ia.s[Ke]&&5!=ia.i[Ke]){Mj=qc[++Zc]=Lc;dt=!0;break}if(!dt)break}if(!(0==Zc%2||2>ia.z[qc[Zc]]||3<ia.z[qc[Zc]])){vf=qc[1];Mc=qc[~~((Zc+1)/2)];Xd=qc[Zc];uf=Me=Le=Yd=0;ft=et=!1;for(Yc=1;Yc<=ia.z[vf];++Yc)Lc= -ia.G[vf][Yc],Ke=CH(ia,vf,Lc),1!=ia.s[Ke]||5==ia.i[Ke]||(0==Yd?Yd=Lc:Le=Lc);0<tf[Le]&&tf[Yd]>tf[Le]&&(cn=Yd,Yd=Le,Le=cn);Nj=Yd;0==Yd&&(Nj=Le,et=!0);for(Yc=1;Yc<=ia.z[Xd];++Yc)Lc=ia.G[Xd][Yc],Ke=CH(ia,Xd,Lc),1!=ia.s[Ke]||5==ia.i[Ke]||(0==Me?Me=Lc:uf=Lc);0<tf[uf]&&tf[Me]>tf[uf]&&(cn=Me,Me=uf,uf=cn);Qj=Me;0==Me&&(Qj=uf,ft=!0);Oj=QH(ia,CH(ia,vf,Yd),vf);Pj=QH(ia,CH(ia,vf,Le),vf);UI=QH(ia,CH(ia,Xd,Me),Xd);VI=QH(ia,CH(ia,Xd,uf),Xd);1<(0>Oj+Pj?-(Oj+Pj):Oj+Pj)||0!=UI||0!=VI?Sr(ia.n,"Bad stereoinfo on allene !"): -(dn=ia.J[qc[Zc-1]]-ia.J[Xd],en=ia.M[qc[Zc-1]]-ia.M[Xd],Rj=Math.sqrt(dn*dn+en*en),0.001>Rj&&(Rj=0.001),0<(ia.M[Qj]-ia.M[qc[Zc-1]])*(dn/Rj)-(ia.J[Qj]-ia.J[qc[Zc-1]])*(en/Rj)?Xc[Mc]=1:Xc[Mc]=-1,et&&(Xc[Mc]*=-1),ft&&(Xc[Mc]*=-1),Nj==Yd&&0>Oj&&(Xc[Mc]*=-1),Nj==Le&&0>Pj&&(Xc[Mc]*=-1),tf[Nj]>tf[Qj]&&(Xc[Mc]*=-1))}}else b:{var rc=a,sc=Ma,ZM=QI,$M=Ch,aN=o,bN=n,cN=YM,fn=Td,gn=void 0,$c=void 0,gt=void 0,Dh=void 0,Ba=void 0,Eh=void 0,zd=void 0,Sj=void 0,Zd=void 0,Nb=void 0,ea=void 0,Eb=void 0,Ne=void 0,hn=void 0, -ad=void 0,ma=void 0,jn=void 0,Eb=v(H,k,-1,4,1),hn=v(H,k,-1,4,1),Fh=rc,$d=sc,WI=$M,ht=ZM,XI=aN,YI=bN,dN=cN,Fb=Eb,Tj=void 0,bd=void 0,kn=void 0,ln=void 0,it=void 0,Uj=void 0,Uj=-1;0<ht[$d]&&(Fb[++Uj]=ht[$d]);for(bd=1;bd<=dN;++bd)XI[bd]==$d&&(Fb[++Uj]=YI[bd]),YI[bd]==$d&&(Fb[++Uj]=XI[bd]);for(bd=Uj+1;bd<Fh.z[$d];++bd){it=Fh.t+1;kn=1;c:for(;kn<=Fh.z[$d];++kn){Tj=Fh.G[$d][kn];for(ln=0;ln<bd;++ln)if(Tj==Fb[ln])continue c;WI[Tj]<it&&(it=WI[Tj],Fb[bd]=Tj)}}0==ht[$d]&&0<Fh.x[$d]?(Fb[3]=Fb[2],Fb[2]=Fb[1],Fb[1]= -Fb[0],Fb[0]=-1):0<Fh.x[$d]&&(Fb[3]=Fb[2],Fb[2]=Fb[1],Fb[1]=-1);for(Ba=Sj=Eh=Dh=jn=zd=Nb=0;4>Ba;++Ba)0>=Eb[Ba]||(gn=CH(rc,sc,Eb[Ba]),hn[Ba]=QH(rc,gn,sc),0<hn[Ba]?(++Nb,jn=Eb[Ba],Eh=Eb[Ba]):0>hn[Ba]?(++zd,Dh=Eb[Ba],Eh=Eb[Ba]):Sj=Eb[Ba]);Zd=Nb+zd;ma=v(H,k,-1,4,1);ad=0;if(3==rc.z[sc]){if(1==Nb&&1==zd||3==Zd&&0<Nb&&0<zd){Sr(rc.n,"Error in C3H stereospecification !");break b}Ne=Eb[0];1==Zd?Ne=Eh:2==Zd&&(Ne=Sj);ea=AH(rc,sc,Ne,Eb);ma[0]=Eh;ma[1]=-1;ma[2]=ea[2];ma[3]=ea[1];0<Nb?ad=1:ad=-1}else if(4==rc.z[sc])if(1== -Zd)ea=AH(rc,sc,Eh,Eb),ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],0<Nb?ad=1:ad=-1;else{Ne=Eb[0];1<Sj&&(Ne=Sj);1==Nb?Ne=jn:1==zd&&(Ne=Dh);ea=AH(rc,sc,Ne,Eb);$c=v(H,k,-1,4,1);for(Ba=0;4>Ba;++Ba)gn=CH(rc,sc,ea[Ba]),$c[Ba]=QH(rc,gn,sc);if(4==Zd){if(0==Nb||0==zd){Sr(rc.n,"Error in C4 stereospecification !");break b}if(1==Nb||1==zd)ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],ad=$c[0];else{for(Ba=0;4>Ba;++Ba)-1==$c[Ba]&&($c[Ba]=0);Zd=2}}else if(3==Zd)if(3==Nb||3==zd)ma[0]=ea[0],ma[1]=ea[3],ma[2]= -ea[2],ma[3]=ea[1],0<Nb?ad=-1:ad=1;else{1==Nb?Nb=gt=1:zd=gt=-1;for(Ba=0;4>Ba;++Ba)$c[Ba]==gt&&($c[Ba]=0);Zd=2}if(2==Zd)if(1==Nb&&1==zd)ea[1]==Dh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==Dh&&(ea[2]=ea[3]),ma[0]=jn,ma[1]=Dh,ma[2]=ea[2],ma[3]=ea[1],ad=1;else{if($c[0]==$c[1]||$c[1]==$c[2]){Sr(rc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=$c[0]?(ma[0]=ea[0],ma[1]=ea[2],ma[2]=ea[1],ma[3]=ea[3]):(ma[0]=ea[1],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[0]);1<Nb?ad=1:ad=-1}}var W=ma,Vj=Eb,kb=void 0;Vj[0]==W[1]?(kb= -W[0],W[0]=W[1],W[1]=kb,kb=W[2],W[2]=W[3],W[3]=kb):Vj[0]==W[2]?(kb=W[2],W[2]=W[0],W[0]=kb,kb=W[1],W[1]=W[3],W[3]=kb):Vj[0]==W[3]&&(kb=W[3],W[3]=W[0],W[0]=kb,kb=W[1],W[1]=W[2],W[2]=kb);Vj[1]==W[2]?(kb=W[1],W[1]=W[2],W[2]=kb,kb=W[2],W[2]=W[3],W[3]=kb):Vj[1]==W[3]&&(kb=W[1],W[1]=W[3],W[3]=kb,kb=W[2],W[2]=W[3],W[3]=kb);ma[2]==Eb[2]?fn[sc]=1:ma[2]==Eb[3]?fn[sc]=-1:Sr(rc.n,"Error in stereoprocessing ! - t30");fn[sc]*=ad}}}Va=new jF;i=v(H,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -O[c]&&(Va.b.b+=ua);0<tb[q]&&RH(a,c,tb[c],Va,Sd);var Gh=w[c],Gb=void 0,Wj=void 0,Hh=void 0,T=void 0,T=Rc,Gb=!1;0!=a.A[c]&&(Gb=!0);0!=Td[c]&&(Gb=!0);Hh=-1;for(Wj=1;Wj<=a.y;++Wj)if(a.q[Wj][0]==c){Hh=a.q[Wj][1];break}-1<Hh&&(Gb=!0);a.n.Ib&&0<a.e[c]&&(Gb=!0,Hh=1);switch(a.c[c]){case 2:T=Ab;break;case 3:Gh?T="c":T=Ib;break;case 4:Gh?(T=Gf,0<a.x[c]&&(Gb=!0)):T=gc;break;case 5:Gh?T="o":T=nc;break;case 7:Gh?(T="p",0<a.x[c]&&(Gb=!0)):T=tc;break;case 8:Gh?T=rg:T=Ec;break;case 13:Gh?T=wg:T=Ic;Gb=!0;break;case 6:T= -Jc;Gb=!0;break;case 9:T=Tb;break;case 10:T=Mb;break;case 11:T=Hb;break;case 12:T=Zb;break;case 1:T=Xb;Gb=!0;break;case 19:T=uc;Gb=!0;break;case 20:T=vc;Gb=!0;break;case 21:T=wc;Gb=!0;break;case 22:T=xc;Gb=!0;break;case 18:Gb=!0,T=a.o[c],(D(T,wa)||D(T,Wc)||D(T,wb))&&(Gb=!1)}Gb&&(T=Sc+T,1==Td[c]?T+=ub:-1==Td[c]&&(T+=vb),1==a.x[c]?T+=Xb:1<a.x[c]&&(T+=Xb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=ya:T+=Ca,1<Zj(a.A[c])&&(T+=Zj(a.A[c]))),-1<Hh&&(T+=mb+Hh),T+=Uc);yn(Va.b,T);for(A=1;A<=oc;++A)if(o[A]==c||n[A]==c)d= -n[A],d==c&&(d=o[A]),i[c]<i[d]&&RH(a,o[A],n[A],Va,Sd),9<A&&(Va.b.b+="%"),xn(Va,j+(new R(A)).b);Rd[c]&&(Va.b.b+=va)}return Va.b.b} -function TG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)qE(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function UG(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&TG(a,c);0==a.z[d]&&TG(a,d)} -function LH(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=CH(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&TG(a,c)}}}function IH(a){var b;b=a.c.length;a.G=zt([b,7]);a.z=v(H,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function NH(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,k,-1,a.u+1,1);o=v(KH,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[CH(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:JH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(KH,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function hG(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(bF((a.J[b]+a.J[c])/2))),a.N[d]=L(K(bF((a.M[b]+a.M[c])/2)))}function MH(a,b){var c;for(c=1;c<=a.u;++c)EG(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function CG(a,b){var c;c=(OF(),gE)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function JH(a,b){return 2==a.s[b]?!0:!1}function EG(a,b,c){var d,e,f,g;g=1;a.b=v(H,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function fH(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=zt([b+5,2]),kF(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function eE(a){var b;a.y=0;a.r=0;qH(a);for(b=1;b<=a.t;++b)a.D=b,fH(a);a.D=0} -function SG(a){var b,c;b=v(eG,r,-1,4,1);fG(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function aG(a,b){var c,d,e,f,g,i,h,l;c=v(eG,r,-1,4,1);fG(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;fG(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function oH(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function WG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Sc)&&dF(c,Uc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Xb);g=Yj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=ro(c,d+1);try{a.n.y=lD(i,10)}catch(h){if(h=Si(h),y(h,119))a.n.y=0;else throw h;}a.D=b;fH(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Ib)?3:D(d,Ab)?2:D(d,gc)?4:D(d,nc)?5:D(d,tc)?7:D(d,Ec)?8:D(d,Tb)?9:D(d,Mb)?10:D(d,Hb)?11:D(d,Zb)?12:D(d,Xb)?1:D(d,Ic)?13:D(d,Jc)?6:D(d,uc)?19:D(d,vc)?20:D(d,wc)?21:D(d,xc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=cF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=cF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=cF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=cF(c,g++);for(;45==e;)--d,e=cF(c,g++)}a.A[b]=d}}} -function jE(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new FD(b);try{for(;b.k=yD(b,b.b),b.k<b.j;)d=YE(lD(BD(b),10)).b,c=e=YE(lD(BD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Si(f),y(f,119))vn(f);else throw f;}}function RH(a,b,c,d,e){b=CH(a,b,c);5!=a.i[b]&&JH(a,b)?d.b.b+=qb:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=sb,a=a.f[b],null!=a&&(e=a),yn(d.b,e)):1==e[b]?d.b.b+=Ya:-1==e[b]&&(d.b.b+=Tc)} -function gH(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Sr(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Sr(a.n,"Stereomarking allowed only on single and double bonds!")} -function PH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=CH(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=CH(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=CH(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=CH(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Sr(a.n,"Not unique E/Z geometry !");else{i=CH(a,b,e);f=CH(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=CH(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function HH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=CH(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(JH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function QH(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function VG(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=HH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function iG(a){zH(this);this.n=a;this.y=this.u=this.t=0} -function JG(a,b){var c,d,e,f,g,i,h;iG.call(this,a);f=j;i=HG(b);if(null!=i){h=new ED(b,i,!0);for(e=1;4>=e;++e)f=IG(h,i);g=YE(lD(jo(f.substr(0,3)),10)).b;c=YE(lD(jo(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)hH(this),f=IG(h,i),this.J[e]=(new XE(UE(jo(f.substr(0,10))))).b,this.M[e]=-(new XE(UE(jo(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=jo(f.substr(31,d-31)),WG(this,e,d),62<=f.length&&(f=jo(f.substr(60,3)),0<f.length&&(f=YE(lD(f,10)).b,0<f&&(this.D=e,a.y=f,fH(this),this.D=0)));for(e=1;e<=c;++e)mH(this), -f=IG(h,i),this.H[e]=YE(lD(jo(f.substr(0,3)),10)).b,this.I[e]=YE(lD(jo(f.substr(3,3)),10)).b,g=YE(lD(jo(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=YE(lD(jo(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);IH(this);oH(this);gG(this);for(zE(this);(h.k=yD(h,h.b),h.k<h.j)&&!(null==(f=BD(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new DD(f);BD(g);BD(g);i=YE(lD(BD(g),10)).b; -for(e=1;e<=i;++e)c=YE(lD(BD(g),10)).b,this.A[c]=YE(lD(BD(g),10)).b}if(0==f.indexOf("M APO")){g=new DD(f);BD(g);BD(g);i=YE(lD(BD(g),10)).b;for(e=1;e<=i;++e)c=YE(lD(BD(g),10)).b,f=YE(lD(BD(g),10)).b,this.D=c,$(this,0),WG(this,this.t,uc+f),this.D=0}}LH(this);zE(this)}} -function yE(a,b){var c,d,e,f,g;iG.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));dF(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new DD(b);d=YE(lD(BD(f),10)).b;e=YE(lD(BD(f),10)).b;for(c=1;c<=d;++c)g=BD(f),hH(this),WG(this,this.t,g),this.J[c]=(new XE(UE(BD(f)))).b,this.M[c]=-(new XE(UE(BD(f)))).b;for(c=1;c<=e;++c)if(mH(this),this.H[c]=YE(lD(BD(f),10)).b,this.I[c]=YE(lD(BD(f),10)).b,this.s[c]=YE(lD(BD(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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-f.n.c&&(ca=g,i=J,B=G,ca.o&&(oF(ca,!1),pF(ca,CF(ca,i,B,5,!0)))),106==f.n.c&&HF(f,f.H[f.E],f.I[f.E]))){ca=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++ca;if(ca>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;Y(g,(zA(),GA));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],nF(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(Y(e,(zA(),EA)),Z(e,c-1,0,c-1,b-1)):(Y(e,NA(rD)),Z(e,c-1,0,c-1,b-1),Y(e,rD),Z(e,c-2,0,c-2,b-1),Y(e,TE),Z(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),Y(e,(zA(),JA)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48- -6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new $A(Yb,0,13),a.W=new PB(a.T),null!=a.bb&&(d=QB(a.W,a.bb),c=L(K(Math.round((c-d)/2))),b-=13,Y(e,(zA(),FA)),xF(e,a.T),yF(e,a.bb,c,b)));zF(a.Ob,a.cb,a.Y,2*a.Y+a.S)}} -function vF(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,k,-1,9,1);l=v(H,k,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(oF(b,!1),pF(b,CF(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}} -function IF(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;Y(d,rD);mB(d,0,0,b,c);a.nb?(Y(d,(zA(),EA)),c=13*(a.Y+a.S),nF(d,c,0,b-c-1,2*a.Y+a.S-1)):(Y(d,NA(rD)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),Y(d,TE),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)mF(a,d,b,1),mF(a,d,b,2);a.c=c;zF(a.Ob,a.Lb,0,0)}} -function sF(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);rF(a,b,c+m-i,f,d-4-i-1,e,h)} -function JF(a,b){var c,d,e,f,g,i,h;wD(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=KF(b);h=new TC(b,g,!0);d=j;for(c=1;5>=c;++c)d=LF(h,g);c=aE(AC(co(d.substr(0,3)),10)).b;f=aE(AC(co(d.substr(3,3)),10)).b;LF(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=LF(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new MF(a,e)}gF(a,1,c,1);gF(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new MF(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",hD(a),!1;null!=a.i&&a.Z&&nD(a.Z,a.i,!0);null!=a.j&& -a.Z&&nD(a.Z,a.j,!1);g=NF(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new OF(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];gF(a,1,g,0)}hD(a);return!0} -function PF(a,b){var c,d,e,f,g,i,h,l;wD(a);c=f=0;l=new TC(b,"|>",!0);e=-1<b.indexOf(tb);i=1;g=MC(l);a.tb=0;for(d=1;d<=g;++d)if(h=QC(l),co(h),!D(h,eh))if(D(h,tb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new AD(a,h);if(0==a.Z.t)return CD(a,"ERROR - problems in reading/processing molecule !"),mC(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return CD(a,"ERROR - strange reaction - fixing !"),mC(),!1;if(3<i)return CD(a,"ERROR - strange reaction !"),mC(),!1;1<a.tb&&!e&&gD(a,Bf);e&&!a.Bb&&gD(a,cg);!e&&a.Bb&& -gD(a,Ff);e?(gF(a,1,f,1),gF(a,f+1,c-1,2),gF(a,c,a.tb,3)):gF(a,1,a.tb,0);hD(a);return!0}function kr(a,b){a.jb=!0;a.J=b} -function or(a,b){var c,d;if(0==b)return!1;eF(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:sD(a);d=a.$;d.b=d.c;d.c.d=null;QF(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;RF(a,OE(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new vv("Cannot redo. Index is out of range."); -if(!d.b.d)throw new vv(bc);d.b=d.b.d;RF(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=mu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(kr(a,fc+(a.Db.b+1)+ea+a.Db.d),d=gE(d),oD(a,d,!1),null!=a.rb&&VC(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=mu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(kr(a,fc+(a.Db.b+1)+ea+a.Db.d),d=gE(d),oD(a,d,!1),null!=a.rb&&VC(a.rb,null));break;case 101:a.Gb&&IE(a.Gb);a.Gb=new SF(1,a);a.c=c;break;case 107:!a.zb?a.zb=new TF(a):a.zb.ac.d.hb?UF(a.zb.ac.d): -pD(a.zb);break;case 113:a.b&&IE(a.b);a.b=new SF(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,iD(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=VF(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(hF,r,-1,4,1);iF(a.Z,d);a.lb=!0;a.Z=new YE(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;BD(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,WF(a.Z,a.Z.D),a.Z.D=0,fF(a)):0<a.Z.E&&(a.lb=!0,XF(a.Z,a.Z.E), -a.Z.E=0,fF(a));YF(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new FB;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new yB(c),EB(i,g),g.d=c,Tz(g.e,a);Ry(a,i);a.E=i}ZF(a.E.b,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(IE(a.o),a.o=null);0==a.Z.D&&(a.o=new SF(2,a));a.d= -18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,fF(a)),18==a.d&&(d=lo((lr(),mr).ac.b.pb,Xg),$F(a.Z,a.Z.D,d),fF(a)),YF(a.Z))}hD(a);return!0} -function gr(a){var b,c,d;d=DD(a);c=j;if(a.Bb){var e,f,g;g=Fs([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)VF(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(aG(g[1][0],3)+aG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+bG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+bG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new cG(a,a.fb,a.tb)),c=bG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c} -function dG(a,b,c,d){var e;e=c;var f=d,g,i;(g=eG(b),i=0!=(b.f&2),g||i)?(g=a.Bb?(!a.w&&(a.w=dD(a,!0)),a.w):(!a.v&&(a.v=dD(a,!1)),a.v),ZF(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=fG(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;13>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=eD+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",hD(a),!0; -if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=or(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)WF(a.Z,a.Z.D),a.Z.D=0,fF(a);else{if(106==a.c)return!0;if(108==a.c)gG(a.Z,a.Z.D,0),fF(a);else if(157==a.c)gG(a.Z,a.Z.D,1),fF(a);else if(158==a.c)gG(a.Z,a.Z.D,-1),fF(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):fF(a);else if(206<= -a.c&&229>=a.c)a.O=2,hG(a.Z),fF(a);else if(230==a.c)a.O=3,fF(a);else if(233<=a.c&&262>a.c)iG(a.Z,!1),fF(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;$F(a.Z,a.Z.D,lo(a.zb.f.ac.b.pb,Xg));fF(a)}else if(105==a.c)jG(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=lo((lr(),mr).ac.b.pb,Xg),1>d.length&&(d=Qc),$F(a.Z,a.Z.D,d)),fF(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,hG(a.Z),fF(a);else 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-b?d=a.G[c][1]:d=a.G[c][2],m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)lG(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]= -a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)lG(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)qG(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&& -(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[HG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f], -1<a.s[HG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.c[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.c[a.t-2]=5);h=v(H,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(eE((a.J[b]+a.J[e])/2))),a.N[c]=L(K(eE((a.M[b]+a.M[e])/ -2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-i;f=g+1;a:for(;f<=g+i;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;qG(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=L(K(eE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/ -2)));a.N[a.u]=L(K(eE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(qG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=L(K(eE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(eE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(qG(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=L(K(eE((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(eE((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0< -h[f]&&(WF(a,f),3==a.c[h[f]])){m=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&JG(a,i);-1<l&&(a.D=l)} -function KG(a,b,c,d){var e,f,g,i,h,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)lG(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function JG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=nG(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)} -function HG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function LG(a,b,c){var d,e,f,g;e=gh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Et(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Et(c[d])&&!st(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)yt(c[d],e)&&(b[d]=g,c[d]=gh,++f);if(f==a.t)break}return g==a.t} -function jF(a){var b,c,d;b=v(hF,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{iF(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;kF(a)}} -function iF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[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)} -function gG(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=MG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.c[b]){case 2:2<d&&kr(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?kr(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?kr(a.n,"Charge change not possible on multibonded N or P !"): -3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?kr(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:kr(a.n,"Charge change not possible on the halogen !");break;case 18:kr(a.n, -"Use X button to change charge on the X atom !")}} -function NF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&WF(a,c);jF(a);kr(a.n,"Smaller part(s) removed !");return 1} -function nG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g} -function rG(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];YF(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),YF(a));4==a.s[d]&&(a.s[d]=1)}} -function GG(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 BD(a){var b;NG(a);b=a.s.length;a.K=v(H,k,-1,b,1);a.N=v(H,k,-1,b,1);kF(a);YF(a)} -function lG(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,k,-1,c,1),nE(a.c,b,a.c.length),a.c=b,b=v(H,k,-1,c,1),nE(a.A,b,a.A.length),a.A=b,b=v(H,k,-1,c,1),nE(a.x,b,a.x.length),a.x=b,b=v(H,k,-1,c,1),nE(a.e,b,a.e.length),a.e=b,b=v(Qs,r,1,c,0),nE(a.d,b,a.d.length),a.d=b,b=v(Qs,r,1,c,0),nE(a.o,b,a.o.length),a.o=b,b=v(hF,r,-1,c,1),nE(a.J,b,a.J.length),a.J=b,b=v(hF,r,-1,c,1),nE(a.M,b,a.M.length),a.M=b,b=Fs([c,7]),nE(a.G,b,a.G.length),a.G=b,c=v(H,k,-1,c,1),nE(a.z,c,a.z.length),a.z=c);a.c[a.t]= -3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function GF(a,b,c,d,e,f){var g;g=L(K(eE(a.J[b]-c/2)));f||(g-=d-c);a=L(K(eE(a.M[b]-~~(e/2))));return new Az(g-1-2,a-2,d+1+4,e+4)} -function qG(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,k,-1,b,1),nE(a.H,c,a.H.length),a.H=c,c=v(H,k,-1,b,1),nE(a.I,c,a.I.length),a.I=c,c=v(H,k,-1,b,1),nE(a.s,c,a.s.length),a.s=c,c=v(H,k,-1,b,1),nE(a.B,c,a.B.length),a.B=c,c=v(H,k,-1,b,1),nE(a.K,c,a.K.length),a.K=c,c=v(H,k,-1,b,1),nE(a.N,c,a.N.length),a.N=c,b=v(Qs,r,1,b,0),nE(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null} -function bG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(RE(),aa);i+="JME 2013-04-10 "+new BE+"\n \n";i+=aG(a.t,3)+aG(a.u,3);i+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){i+=tG(0.055999999999999994*(a.J[e]-c),10,4)+tG(0.055999999999999994*(g-a.M[e]),10,4)+tG(0,10,4);h=FF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q "); -i+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+aG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=aG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:OG(a,e)&&(g=2),c=aG(a.H[e],3)+aG(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=aG(a.I[e],3)+aG(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=aG(a.I[e],3)+aG(a.H[e],3)),i+=c+aG(g,3)+aG(d,3)+" 0 0 0\n"; -for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+aG(e,4)+aG(a.A[e],4)+aa);return i+"M END\n"} -function uG(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,B,J,N,W,ca,M,mc,Ec,Yf,pb,Od,Pd,Qd,Va,Fc;o=v(H,k,-1,a.t+10,1);n=v(H,k,-1,a.t+10,1);l=v(H,k,-1,a.t+1,1);m=v(H,k,-1,7,1);pb=v(H,k,-1,a.t+1,1);w=v(PG,r,-1,a.t+1,2);G=v(PG,r,-1,a.u+1,2);mc=0;if(0==a.t)return j;NF(a,!0);Yf=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){Yf=!1;break}if(a.n.s&&Yf){QG(a);rG(a);RG(a,G);SG(a,w,G);var Fb,td,cf,$b,ye,ud,vd,cb,TH,Td,t,va,Om,Pm,Ws,kf,Na,Qm,Rm,Ic,Sm;Fb=v(H,k,-1,a.t+1,1);td=v(H,k,-1,a.t+1,1);cb=v(TG,r,-1,a.t+1,3);var Xs=a.t,Tm, -th,Ys,jg,Dj,Ee,lf;Dj=v(TG,r,-1,Xs+2,3);Ee=v(H,k,-1,100,1);lf=5;jg=0;Ee[0]=3;Dj[1]=ih;Dj[2]=jh;Ys=2;if(!(3>Xs))for(;lf<Ee[jg]*Ee[jg];){th=0;for(Tm=!0;Tm&&th<=jg&&lf>=Ee[th]*Ee[th];)0==lf%Ee[th]?Tm=!1:++th;if(Tm){Dj[++Ys]=Bt(lf);if(Ys>=Xs)break;jg<Ee.length-1&&(++jg,Ee[jg]=lf)}lf+=2}for(t=1;t<=a.t;++t){for(va=Rm=1;va<=a.u;++va)(a.H[va]==t||a.I[va]==t)&&(Rm*=a.i[va]);Qm=a.c[t];18==Qm&&(Sm=a.o[t],ud=Sm.charCodeAt(0)-65+1,vd=0,1<Sm.length&&(vd=Sm.charCodeAt(1)-97),0>ud&&(ud=0),0>vd&&(vd=0),Qm=28*ud+vd); -kf=0;-2>a.A[t]?kf=1:-2==a.A[t]?kf=2:-1==a.A[t]?kf=3:1==a.A[t]?kf=4:2==a.A[t]?kf=5:2<a.A[t]&&(kf=6);Ic=1;cb[t]=Bt(Rm);Ic*=126;cb[t]=wt(cb[t],Bt(a.x[t]*Ic));Ic*=7;cb[t]=wt(cb[t],Bt(kf*Ic));Ic*=7;cb[t]=wt(cb[t],Bt(Qm*Ic));Ic*=783;cb[t]=wt(cb[t],Bt(a.z[t]*Ic))}for(ye=0;!LG(a,Fb,cb);){Ws=!1;for(t=1;t<=a.t;++t)Fb[t]!=td[t]&&(td[t]=Fb[t],Ws=!0);if(Ws){for(t=1;t<=a.t;++t){cb[t]=hh;for(va=1;va<=a.z[t];++va)cb[t]=Ft(cb[t],Dj[Fb[a.G[t][va]]])}ye=0}else if(0<ye){for(t=1;t<=a.t;++t)cb[t]=hh;t=1;a:for(;t<=a.t- -1;++t)for(va=t+1;va<=a.t;++va)if(Fb[t]==Fb[va]){cb[t]=ih;break a}}else{for(t=1;t<=a.t;++t){cb[t]=hh;for(va=1;va<=a.z[t];++va)cf=a.G[t][va],cb[t]=Ft(cb[t],Bt(a.c[cf]*a.i[HG(a,t,cf)]))}ye=1}LG(a,Fb,cb);for(t=1;t<=a.t;++t)cb[t]=Bt(td[t]*a.t+Fb[t])}for(t=1;t<=a.t;++t)td[t]=Fb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(td[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[0];a.A[Na]=a.A[0]; -a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];td[t]=td[Na];td[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Fb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Fb[a.H[t]],a.I[t]=Fb[a.I[t]],a.H[t]>a.I[t]&&(Td=a.H[t],a.H[t]=a.I[t],a.I[t]=Td,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Pm=Om= -a.t;$b=0;for(va=t;va<=a.u;++va)a.H[va]<Om?(Om=a.H[va],Pm=a.I[va],$b=va):a.H[va]==Om&&a.I[va]<Pm&&(Pm=a.I[va],$b=va);Td=a.H[t];a.H[t]=a.H[$b];a.H[$b]=Td;Td=a.I[t];a.I[t]=a.I[$b];a.I[$b]=Td;Td=a.s[t];a.s[t]=a.s[$b];a.s[$b]=Td;Td=a.B[t];a.B[t]=a.B[$b];a.B[$b]=Td;TH=a.f[t];a.f[t]=a.f[$b];a.f[$b]=TH}BD(a);YF(a);RG(a,G);SG(a,w,G)}else{RG(a,G);a.i=v(H,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,k,-1,a.t+1,1);Fc=1;a.b[1]=1;for(ca=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]> -a.b[c])&&g!=pb[c]){Ec=!0;for(J=1;J<=mc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Ec=!1;break}Ec&&(++mc,o[mc]=c,n[mc]=g)}}else m[++M]=g;if(0==M){if(Fc==a.t)break;c=l[ca--]}else if(1==M)pb[m[1]]=c,c=m[1],a.b[c]=++Fc;else{l[++ca]=c;e=0;for(q=1;q<=M;++q)if(h=HG(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=HG(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);pb[e]=c;c=e;a.b[e]=++Fc}}pb=v(H,k,-1,a.t+1,1);b=v(H,k,-1,a.t+1,1);N=v(PG,r,-1,a.t+1,2);Od=v(PG,r,-1,a.t+1,2);f=Fc=ca=0; -for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(pb[c]=f);b[++Fc]=c;for(a.b[c]=0;;){M=e=0;W=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(B=1;B<=mc;++B)if(o[B]==g&&n[B]==c||o[B]==c&&n[B]==g)continue b;0<a.b[g]&&(++M,a.b[g]<W&&(e=g,W=a.b[g]))}if(0==e){if(0==ca)break a;Od[c]=!0;c=l[ca--]}else break}f=c;c=e;1<M&&(l[++ca]=f,N[e]=!0)}Pd=v(H,k,-1,a.u+1,1);Qd=v(H,k,-1,a.t+1,1);if(a.n.Jb){var VH=pb,hM=mc,Zs,WH,uh,Fe,$s,at,Ma,Ej,bt;uh=v(H,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)uh[b[Ma]]=Ma;$s=v(PG, -r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)Zs=b[Ma],WH=VH[Zs],Fe=HG(a,Zs,WH),0!=Fe&&(UG(a,Fe,uh,Pd,G),$s[Fe]=!0);for(Ma=1;Ma<=a.u;++Ma)$s[Ma]||UG(a,Ma,uh,Pd,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){at=bt=0;for(Ej=1;Ej<=a.z[Ma];++Ej){Fe=HG(a,Ma,a.G[Ma][Ej]);if(5==a.i[Fe])continue a;1==a.s[Fe]&&0!=VG(a,Fe,Ma)&&++bt;2==a.s[Fe]&&(at=a.G[Ma][Ej])}if(0!=bt)if(0<at){var ha=a,YH=Ma,mf=uh,Wc=Qd,oc=void 0,Fj=void 0,Jc=void 0,Ge=void 0,Kc=void 0,Um=void 0,Vm=void 0,Wm=void 0,Ud=void 0,Xc=void 0,Yc=void 0, -ct=void 0,Gj=void 0,Vd=void 0,Hj=void 0,He=void 0,Ij=void 0,dt=void 0,Jj=void 0,Ie=void 0,ZH=void 0,nf=void 0,$H=void 0,et=void 0,Kj=void 0,of=void 0,Yc=1,Fj=YH,oc=v(H,k,-1,ha.t+1,1);for(oc[1]=YH;;){ct=!1;for(Xc=1;Xc<=ha.z[Fj];++Xc)if(Jc=ha.G[Fj][Xc],!(Jc==oc[1]||Jc==oc[Yc-1]))if(Ge=HG(ha,Fj,Jc),2==ha.s[Ge]&&5!=ha.i[Ge]){Fj=oc[++Yc]=Jc;ct=!0;break}if(!ct)break}if(!(0==Yc%2||2>ha.z[oc[Yc]]||3<ha.z[oc[Yc]])){of=oc[1];Kc=oc[~~((Yc+1)/2)];Ud=oc[Yc];nf=Ie=He=Vd=0;et=dt=!1;for(Xc=1;Xc<=ha.z[of];++Xc)Jc= -ha.G[of][Xc],Ge=HG(ha,of,Jc),1!=ha.s[Ge]||5==ha.i[Ge]||(0==Vd?Vd=Jc:He=Jc);0<mf[He]&&mf[Vd]>mf[He]&&(Um=Vd,Vd=He,He=Um);Gj=Vd;0==Vd&&(Gj=He,dt=!0);for(Xc=1;Xc<=ha.z[Ud];++Xc)Jc=ha.G[Ud][Xc],Ge=HG(ha,Ud,Jc),1!=ha.s[Ge]||5==ha.i[Ge]||(0==Ie?Ie=Jc:nf=Jc);0<mf[nf]&&mf[Ie]>mf[nf]&&(Um=Ie,Ie=nf,nf=Um);Jj=Ie;0==Ie&&(Jj=nf,et=!0);Hj=VG(ha,HG(ha,of,Vd),of);Ij=VG(ha,HG(ha,of,He),of);ZH=VG(ha,HG(ha,Ud,Ie),Ud);$H=VG(ha,HG(ha,Ud,nf),Ud);1<(0>Hj+Ij?-(Hj+Ij):Hj+Ij)||0!=ZH||0!=$H?kr(ha.n,"Bad stereoinfo on allene !"): -(Vm=ha.J[oc[Yc-1]]-ha.J[Ud],Wm=ha.M[oc[Yc-1]]-ha.M[Ud],Kj=Math.sqrt(Vm*Vm+Wm*Wm),0.001>Kj&&(Kj=0.001),0<(ha.M[Jj]-ha.M[oc[Yc-1]])*(Vm/Kj)-(ha.J[Jj]-ha.J[oc[Yc-1]])*(Wm/Kj)?Wc[Kc]=1:Wc[Kc]=-1,dt&&(Wc[Kc]*=-1),et&&(Wc[Kc]*=-1),Gj==Vd&&0>Hj&&(Wc[Kc]*=-1),Gj==He&&0>Ij&&(Wc[Kc]*=-1),mf[Gj]>mf[Jj]&&(Wc[Kc]*=-1))}}else b:{var pc=a,qc=Ma,iM=VH,jM=uh,kM=o,lM=n,mM=hM,Xm=Qd,Ym=void 0,Zc=void 0,ft=void 0,vh=void 0,za=void 0,wh=void 0,xd=void 0,Lj=void 0,Wd=void 0,Nb=void 0,da=void 0,Hb=void 0,Je=void 0,Zm=void 0, -$c=void 0,la=void 0,$m=void 0,Hb=v(H,k,-1,4,1),Zm=v(H,k,-1,4,1),xh=pc,Xd=qc,aI=jM,gt=iM,bI=kM,cI=lM,nM=mM,Ib=Hb,Mj=void 0,ad=void 0,an=void 0,bn=void 0,ht=void 0,Nj=void 0,Nj=-1;0<gt[Xd]&&(Ib[++Nj]=gt[Xd]);for(ad=1;ad<=nM;++ad)bI[ad]==Xd&&(Ib[++Nj]=cI[ad]),cI[ad]==Xd&&(Ib[++Nj]=bI[ad]);for(ad=Nj+1;ad<xh.z[Xd];++ad){ht=xh.t+1;an=1;c:for(;an<=xh.z[Xd];++an){Mj=xh.G[Xd][an];for(bn=0;bn<ad;++bn)if(Mj==Ib[bn])continue c;aI[Mj]<ht&&(ht=aI[Mj],Ib[ad]=Mj)}}0==gt[Xd]&&0<xh.x[Xd]?(Ib[3]=Ib[2],Ib[2]=Ib[1],Ib[1]= -Ib[0],Ib[0]=-1):0<xh.x[Xd]&&(Ib[3]=Ib[2],Ib[2]=Ib[1],Ib[1]=-1);for(za=Lj=wh=vh=$m=xd=Nb=0;4>za;++za)0>=Hb[za]||(Ym=HG(pc,qc,Hb[za]),Zm[za]=VG(pc,Ym,qc),0<Zm[za]?(++Nb,$m=Hb[za],wh=Hb[za]):0>Zm[za]?(++xd,vh=Hb[za],wh=Hb[za]):Lj=Hb[za]);Wd=Nb+xd;la=v(H,k,-1,4,1);$c=0;if(3==pc.z[qc]){if(1==Nb&&1==xd||3==Wd&&0<Nb&&0<xd){kr(pc.n,"Error in C3H stereospecification !");break b}Je=Hb[0];1==Wd?Je=wh:2==Wd&&(Je=Lj);da=FG(pc,qc,Je,Hb);la[0]=wh;la[1]=-1;la[2]=da[2];la[3]=da[1];0<Nb?$c=1:$c=-1}else if(4==pc.z[qc])if(1== -Wd)da=FG(pc,qc,wh,Hb),la[0]=da[0],la[1]=da[3],la[2]=da[2],la[3]=da[1],0<Nb?$c=1:$c=-1;else{Je=Hb[0];1<Lj&&(Je=Lj);1==Nb?Je=$m:1==xd&&(Je=vh);da=FG(pc,qc,Je,Hb);Zc=v(H,k,-1,4,1);for(za=0;4>za;++za)Ym=HG(pc,qc,da[za]),Zc[za]=VG(pc,Ym,qc);if(4==Wd){if(0==Nb||0==xd){kr(pc.n,"Error in C4 stereospecification !");break b}if(1==Nb||1==xd)la[0]=da[0],la[1]=da[3],la[2]=da[2],la[3]=da[1],$c=Zc[0];else{for(za=0;4>za;++za)-1==Zc[za]&&(Zc[za]=0);Wd=2}}else if(3==Wd)if(3==Nb||3==xd)la[0]=da[0],la[1]=da[3],la[2]= -da[2],la[3]=da[1],0<Nb?$c=-1:$c=1;else{1==Nb?Nb=ft=1:xd=ft=-1;for(za=0;4>za;++za)Zc[za]==ft&&(Zc[za]=0);Wd=2}if(2==Wd)if(1==Nb&&1==xd)da[1]==vh?(da[1]=da[2],da[2]=da[3]):da[2]==vh&&(da[2]=da[3]),la[0]=$m,la[1]=vh,la[2]=da[2],la[3]=da[1],$c=1;else{if(Zc[0]==Zc[1]||Zc[1]==Zc[2]){kr(pc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Zc[0]?(la[0]=da[0],la[1]=da[2],la[2]=da[1],la[3]=da[3]):(la[0]=da[1],la[1]=da[3],la[2]=da[2],la[3]=da[0]);1<Nb?$c=1:$c=-1}}var U=la,Oj=Hb,hb=void 0;Oj[0]==U[1]?(hb= -U[0],U[0]=U[1],U[1]=hb,hb=U[2],U[2]=U[3],U[3]=hb):Oj[0]==U[2]?(hb=U[2],U[2]=U[0],U[0]=hb,hb=U[1],U[1]=U[3],U[3]=hb):Oj[0]==U[3]&&(hb=U[3],U[3]=U[0],U[0]=hb,hb=U[1],U[1]=U[2],U[2]=hb);Oj[1]==U[2]?(hb=U[1],U[1]=U[2],U[2]=hb,hb=U[2],U[2]=U[3],U[3]=hb):Oj[1]==U[3]&&(hb=U[1],U[1]=U[3],U[3]=hb,hb=U[2],U[2]=U[3],U[3]=hb);la[2]==Hb[2]?Xm[qc]=1:la[2]==Hb[3]?Xm[qc]=-1:kr(pc.n,"Error in stereoprocessing ! - t30");Xm[qc]*=$c}}}Va=new mE;i=v(H,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q]; -N[c]&&(Va.b.b+=ua);0<pb[q]&&WG(a,c,pb[c],Va,Pd);var yh=w[c],Jb=void 0,Pj=void 0,zh=void 0,R=void 0,R=Qc,Jb=!1;0!=a.A[c]&&(Jb=!0);0!=Qd[c]&&(Jb=!0);zh=-1;for(Pj=1;Pj<=a.y;++Pj)if(a.q[Pj][0]==c){zh=a.q[Pj][1];break}-1<zh&&(Jb=!0);a.n.Ib&&0<a.e[c]&&(Jb=!0,zh=1);switch(a.c[c]){case 2:R=Ab;break;case 3:yh?R="c":R=Db;break;case 4:yh?(R=Cf,0<a.x[c]&&(Jb=!0)):R=gc;break;case 5:yh?R="o":R=rc;break;case 7:yh?(R="p",0<a.x[c]&&(Jb=!0)):R=tc;break;case 8:yh?R=og:R=Gc;break;case 13:yh?R=rg:R=Lc;Jb=!0;break;case 6:R= -Mc;Jb=!0;break;case 9:R=Sb;break;case 10:R=Lb;break;case 11:R=Cb;break;case 12:R=Zb;break;case 1:R=Wb;Jb=!0;break;case 19:R=uc;Jb=!0;break;case 20:R=vc;Jb=!0;break;case 21:R=wc;Jb=!0;break;case 22:R=xc;Jb=!0;break;case 18:Jb=!0,R=a.o[c],(D(R,xa)||D(R,Vc)||D(R,wb))&&(Jb=!1)}Jb&&(R=Rc+R,1==Qd[c]?R+=vb:-1==Qd[c]&&(R+="@@"),1==a.x[c]?R+=Wb:1<a.x[c]&&(R+=Wb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?R+=ya:R+=Ca,1<Tj(a.A[c])&&(R+=Tj(a.A[c]))),-1<zh&&(R+=nb+zh),R+=Tc);un(Va.b,R);for(B=1;B<=mc;++B)if(o[B]==c||n[B]==c)d= -n[B],d==c&&(d=o[B]),i[c]<i[d]&&WG(a,o[B],n[B],Va,Pd),9<B&&(Va.b.b+="%"),tn(Va,j+(new S(B)).b);Od[c]&&(Va.b.b+=wa)}return Va.b.b} -function WF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)sD(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f], -c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}} -function XF(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&WF(a,c);0==a.z[d]&&WF(a,d)} -function QG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=HG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&WF(a,c)}}}function NG(a){var b;b=a.c.length;a.G=Fs([b,7]);a.z=v(H,k,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])} -function SG(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,k,-1,a.u+1,1);o=v(PG,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[HG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:OG(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(PG,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h], -e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function kF(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(eE((a.J[b]+a.J[c])/2))),a.N[d]=L(K(eE((a.M[b]+a.M[c])/2)))}function RG(a,b){var c;for(c=1;c<=a.u;++c)HF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function FF(a,b){var c;c=(RE(),kD)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c} -function OG(a,b){return 2==a.s[b]?!0:!1}function HF(a,b,c){var d,e,f,g;g=1;a.b=v(H,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]} -function jG(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Fs([b+5,2]),nE(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function iD(a){var b;a.y=0;a.r=0;uG(a);for(b=1;b<=a.t;++b)a.D=b,jG(a);a.D=0} -function VF(a){var b,c;b=v(hF,r,-1,4,1);iF(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function dF(a,b){var c,d,e,f,g,i,h,l;c=v(hF,r,-1,4,1);iF(a,c);d=c[0];e=c[1];i=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;iF(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]} -function sG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e} -function $F(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Rc)&&fE(c,Tc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Aa)&&(f=!0);-1<c.indexOf(qb)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(nb);e=c.indexOf(Wb);g=Sj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=pv(c,d+1);try{a.n.y=AC(i,10)}catch(h){if(h=Mi(h),y(h,119))a.n.y=0;else throw h;}a.D=b;jG(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0, -g-0));a.c[b]=D(d,Db)?3:D(d,Ab)?2:D(d,gc)?4:D(d,rc)?5:D(d,tc)?7:D(d,Gc)?8:D(d,Sb)?9:D(d,Lb)?10:D(d,Cb)?11:D(d,Zb)?12:D(d,Wb)?1:D(d,Lc)?13:D(d,Mc)?6:D(d,uc)?19:D(d,vc)?20:D(d,wc)?21:D(d,xc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=OD(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=OD(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=OD(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=OD(c,g++);for(;45==e;)--d,e=OD(c,g++)}a.A[b]=d}}} -function nD(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new UC(b);try{for(;b.k=NC(b,b.b),b.k<b.j;)d=aE(AC(QC(b),10)).b,c=e=aE(AC(QC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Mi(f),y(f,119))rn(f);else throw f;}}function WG(a,b,c,d,e){b=HG(a,b,c);5!=a.i[b]&&OG(a,b)?d.b.b+=sb:3==a.s[b]?d.b.b+=ma:9==a.s[b]?(e=ub,a=a.f[b],null!=a&&(e=a),un(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Sc)} -function kG(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,kr(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:kr(a.n,"Stereomarking allowed only on single and double bonds!")} -function UG(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=HG(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=HG(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o, -o=i,i=g);h=HG(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=HG(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))kr(a.n,"Not unique E/Z geometry !");else{i=HG(a,b,e);f=HG(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=HG(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0== -d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function MG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=HG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(OG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function VG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0} -function YF(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=MG(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]= -4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]= -0}0>c.x[d]&&(c.x[d]=0)}}}function lF(a){EG(this);this.n=a;this.y=this.u=this.t=0} -function 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SC(f);QC(g);QC(g);i=aE(AC(QC(g),10)).b; -for(e=1;e<=i;++e)c=aE(AC(QC(g),10)).b,this.A[c]=aE(AC(QC(g),10)).b}if(0==f.indexOf("M APO")){g=new SC(f);QC(g);QC(g);i=aE(AC(QC(g),10)).b;for(e=1;e<=i;++e)c=aE(AC(QC(g),10)).b,f=aE(AC(QC(g),10)).b,this.D=c,$(this,0),$F(this,this.t,uc+f),this.D=0}}QG(this);BD(this)}} -function AD(a,b){var c,d,e,f,g;lF.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));fE(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new SC(b);d=aE(AC(QC(f),10)).b;e=aE(AC(QC(f),10)).b;for(c=1;c<=d;++c)g=QC(f),lG(this),$F(this,this.t,g),this.J[c]=(new $D(XD(QC(f)))).b,this.M[c]=-(new $D(XD(QC(f)))).b;for(c=1;c<=e;++c)if(qG(this),this.H[c]=aE(AC(QC(f),10)).b,this.I[c]=aE(AC(QC(f),10)).b,this.s[c]=aE(AC(QC(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]= -1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else 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-} -.gwt-MenuBar .gwt-MenuItem-disabled { - color: #cdcdcd; -} -.gwt-MenuBar-horizontal { - background: #ebebeb url(images/hborder.png) repeat-x 0px -2003px; - border: 1px solid #BBBBBB; -} -.gwt-MenuBar-horizontal .gwt-MenuItem { - padding: 0px 10px; - vertical-align: bottom; - color: #666666; - font-weight: bold; -} -.gwt-MenuBar-horizontal .gwt-MenuItemSeparator { - width: 1px; - padding: 0px; - margin: 0px; - border: 0px; - border-left: 1px solid #888888; - background: white; -} -.gwt-MenuBar-horizontal .gwt-MenuItemSeparator .menuSeparatorInner { - width: 1px; - height: 1px; - background: white; -} -.gwt-MenuBar-vertical { - margin-top: 0px; - margin-left: 0px; - background: white; -} -.gwt-MenuBar-vertical table { - border-collapse: collapse; -} -.gwt-MenuBar-vertical .gwt-MenuItem { - padding: 4px 14px 4px 1px; -} -.gwt-MenuBar-vertical .gwt-MenuItemSeparator { - padding: 2px 0px; -} -.gwt-MenuBar-vertical .gwt-MenuItemSeparator .menuSeparatorInner { - height: 1px; - padding: 0px; - border: 0px; - border-top: 1px solid #777777; - background: #ddddee; - overflow: hidden; -} -.gwt-MenuBar-vertical .subMenuIcon { - padding-right: 4px; -} -.gwt-MenuBar-vertical .subMenuIcon-selected { - background: #cdcdcd; -} -.gwt-MenuBarPopup { - margin: 0px 0px 0px 3px; -} -.gwt-MenuBarPopup .menuPopupTopCenter { - background: url(images/hborder.png) 0px -12px repeat-x; -} -.gwt-MenuBarPopup .menuPopupBottomCenter { - background: url(images/hborder.png) 0px -13px repeat-x; - -background: url(images/hborder_ie6.png) 0px -13px repeat-x; -} -.gwt-MenuBarPopup .menuPopupMiddleLeft { - background: url(images/vborder.png) -12px 0px repeat-y; - -background: url(images/vborder_ie6.png) -12px 0px repeat-y; -} -.gwt-MenuBarPopup .menuPopupMiddleRight { - background: url(images/vborder.png) -13px 0px repeat-y; - -background: url(images/vborder_ie6.png) -13px 0px repeat-y; -} -.gwt-MenuBarPopup .menuPopupTopLeftInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupTopRightInner { - width: 8px; - height: 5px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupBottomRightInner { - width: 8px; - height: 8px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupTopLeft { - background: url(images/corner.png) no-repeat 0px -36px; - -background: url(images/corner_ie6.png) no-repeat 0px -36px; -} -.gwt-MenuBarPopup .menuPopupTopRight { - background: url(images/corner.png) no-repeat -5px -36px; - -background: url(images/corner_ie6.png) no-repeat -5px -36px; -} -.gwt-MenuBarPopup .menuPopupBottomLeft { - background: url(images/corner.png) no-repeat 0px -41px; - -background: url(images/corner_ie6.png) no-repeat 0px -41px; -} -.gwt-MenuBarPopup .menuPopupBottomRight { - background: url(images/corner.png) no-repeat -5px -41px; - -background: url(images/corner_ie6.png) no-repeat -5px -41px; -} -* html .gwt-MenuBarPopup .menuPopupTopLeftInner { - width: 5px; - height: 5px; - overflow: hidden; -} -* html .gwt-MenuBarPopup .menuPopupTopRightInner { - width: 8px; - height: 5px; - overflow: hidden; -} -* html .gwt-MenuBarPopup .menuPopupBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-MenuBarPopup .menuPopupBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-PasswordTextBox { - padding: 2px; -} -.gwt-PasswordTextBox-readonly { - color: #888; -} - -.gwt-PopupPanel { - border: 3px solid #e3e3e3; - padding: 3px; - background: white; -} - -.gwt-DecoratedPopupPanel .popupContent { -} -.gwt-DecoratedPopupPanel .popupMiddleCenter { - padding: 3px; - background: #e3e3e3; -} -.gwt-DecoratedPopupPanel .popupTopCenter { - background: url(images/hborder.png) repeat-x; -} -.gwt-DecoratedPopupPanel .popupBottomCenter { - background: url(images/hborder.png) repeat-x 0px -4px; - -background: url(images/hborder_ie6.png) repeat-x 0px -4px; -} -.gwt-DecoratedPopupPanel .popupMiddleLeft { - background: url(images/vborder.png) repeat-y; -} -.gwt-DecoratedPopupPanel .popupMiddleRight { - background: url(images/vborder.png) repeat-y -4px 0px; - -background: url(images/vborder_ie6.png) repeat-y -4px 0px; -} -.gwt-DecoratedPopupPanel .popupTopLeftInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupTopRightInner { - width: 8px; - height: 5px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupBottomRightInner { - width: 8px; - height: 8px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupTopLeft { - background: url(images/corner.png) no-repeat 0px -10px; - -background: url(images/corner_ie6.png) no-repeat 0px -10px; -} -.gwt-DecoratedPopupPanel .popupTopRight { - background: url(images/corner.png) no-repeat -5px -10px; - -background: url(images/corner_ie6.png) no-repeat -5px -10px; -} -.gwt-DecoratedPopupPanel .popupBottomLeft { - background: url(images/corner.png) no-repeat 0px -15px; - -background: url(images/corner_ie6.png) no-repeat 0px -15px; -} -.gwt-DecoratedPopupPanel .popupBottomRight { - background: url(images/corner.png) no-repeat -5px -15px; - -background: url(images/corner_ie6.png) no-repeat -5px -15px; -} -* html .gwt-DecoratedPopupPanel .popupTopLeftInner { - width: 5px; - height: 5px; - overflow: hidden; -} -* html .gwt-DecoratedPopupPanel .popupTopRightInner { - width: 8px; - height: 5px; - overflow: hidden; -} -* html .gwt-DecoratedPopupPanel .popupBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-DecoratedPopupPanel .popupBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-PopupPanelGlass { - background-color: #000; - opacity: 0.3; - filter: alpha(opacity=30); -} - -.gwt-PushButton-up, -.gwt-PushButton-up-hovering, -.gwt-PushButton-up-disabled, -.gwt-PushButton-down, -.gwt-PushButton-down-hovering, -.gwt-PushButton-down-disabled { - margin: 0; - text-decoration: none; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.gwt-PushButton-up, -.gwt-PushButton-up-hovering, -.gwt-PushButton-up-disabled { - padding: 3px 5px 3px 5px; -} -.gwt-PushButton-up { - border: 1px outset #ccc; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-up-hovering { - border: 1px outset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-up-disabled { - border: 1px outset #ccc; - cursor: default; - opacity: .5; - filter: alpha(opacity=40); - zoom: 1; -} -.gwt-PushButton-down, -.gwt-PushButton-down-hovering, -.gwt-PushButton-down-disabled { - padding: 4px 4px 2px 6px; -} -.gwt-PushButton-down { - border: 1px inset #666; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-down-hovering { - border: 1px inset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-down-disabled { - border: 1px outset #ccc; - cursor: default; - opacity: 0.5; - filter: alpha(opacity=40); - zoom: 1; -} - -.gwt-RadioButton { -} -.gwt-RadioButton-disabled { - color: #888; -} - -.gwt-RichTextArea { -} -.hasRichTextToolbar { - border: 0px; -} -.gwt-RichTextToolbar { - background: #ebebeb url(images/hborder.png) repeat-x 0px -2003px; - border-bottom: 1px solid #BBBBBB; - padding: 3px; - margin: 0px; -} -.gwt-RichTextToolbar .gwt-PushButton-up { - padding: 0px 1px 0px 0px; - margin-right: 4px; - margin-bottom: 4px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-PushButton-up-hovering { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-PushButton-down { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-PushButton-down-hovering { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-up { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-up-hovering { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-down { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-down-hovering { - margin-right: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} - -.gwt-StackPanel { - border-bottom: 1px solid #bbbbbb; -} -.gwt-StackPanel .gwt-StackPanelItem { - cursor: pointer; - cursor: hand; - font-weight: bold; - font-size: 1.3em; - padding: 3px; - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; -} -.gwt-StackPanel .gwt-StackPanelContent { - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: white; - padding: 2px 2px 10px 5px; -} - -.gwt-DecoratedStackPanel { - border-bottom: 1px solid #bbbbbb; -} -.gwt-DecoratedStackPanel .gwt-StackPanelContent { - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: white; - padding: 2px 2px 10px 5px; -} -.gwt-DecoratedStackPanel .gwt-StackPanelItem { - cursor: pointer; - cursor: hand; -} -.gwt-DecoratedStackPanel .stackItemTopLeft, -.gwt-DecoratedStackPanel .stackItemTopRight { - height: 6px; - width: 6px; - zoom: 1; -} -.gwt-DecoratedStackPanel .stackItemTopLeft { - border-left: 1px solid #bbbbbb; - background: #e4e4e4 url(images/corner.png) no-repeat 0px -49px; - -background: #e4e4e4 url(images/corner_ie6.png) no-repeat 0px -49px; -} -.gwt-DecoratedStackPanel .stackItemTopRight { - border-right: 1px solid #bbbbbb; - background: #e4e4e4 url(images/corner.png) no-repeat -6px -49px; - -background: #e4e4e4 url(images/corner_ie6.png) no-repeat -6px -49px; -} -.gwt-DecoratedStackPanel .stackItemTopLeftInner, -.gwt-DecoratedStackPanel .stackItemTopRightInner { - width: 1px; - height: 1px; -} -* html .gwt-DecoratedStackPanel .stackItemTopLeftInner, -* html .gwt-DecoratedStackPanel .stackItemTopRightInner { - width: 6px; - height: 6px; - overflow: hidden; -} -.gwt-DecoratedStackPanel .stackItemTopCenter { - background: url(images/hborder.png) 0px -21px repeat-x; -} -.gwt-DecoratedStackPanel .stackItemMiddleLeft { - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; - border-left: 1px solid #bbbbbb; -} -.gwt-DecoratedStackPanel .stackItemMiddleLeftInner, -.gwt-DecoratedStackPanel .stackItemMiddleRightInner { - width: 1px; - height: 1px; -} -.gwt-DecoratedStackPanel .stackItemMiddleRight { - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; - border-right: 1px solid #bbbbbb; -} -.gwt-DecoratedStackPanel .stackItemMiddleCenter { - font-weight: bold; - font-size: 1.3em; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; -} -.gwt-DecoratedStackPanel .gwt-StackPanelItem-first .stackItemTopRight, -.gwt-DecoratedStackPanel .gwt-StackPanelItem-first .stackItemTopLeft { - border: 0px; - background-color: white; -} -.gwt-DecoratedStackPanel .gwt-StackPanelItem-below-selected .stackItemTopLeft, -.gwt-DecoratedStackPanel .gwt-StackPanelItem-below-selected .stackItemTopRight { - background-color: white; -} - -.gwt-SuggestBox { - padding: 2px; -} -.gwt-SuggestBoxPopup { - margin-left: 3px; -} -.gwt-SuggestBoxPopup .item { - padding: 2px 6px; - color: #424242; - cursor: default; -} -.gwt-SuggestBoxPopup .item-selected { - background: #cdcdcd; -} -.gwt-SuggestBoxPopup .suggestPopupContent { - background: white; -} -.gwt-SuggestBoxPopup .suggestPopupTopCenter { - background: url(images/hborder.png) repeat-x; -} -.gwt-SuggestBoxPopup .suggestPopupBottomCenter { - background: url(images/hborder.png) repeat-x 0px -4px; - -background: url(images/hborder_ie6.png) repeat-x 0px -4px; -} -.gwt-SuggestBoxPopup .suggestPopupMiddleLeft { - background: url(images/vborder.png) repeat-y; -} -.gwt-SuggestBoxPopup .suggestPopupMiddleRight { - background: url(images/vborder.png) repeat-y -4px 0px; - -background: url(images/vborder_ie6.png) repeat-y -4px 0px; -} -.gwt-SuggestBoxPopup .suggestPopupTopLeftInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupTopRightInner { - width: 8px; - height: 5px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupBottomRightInner { - width: 8px; - height: 8px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupTopLeft { - background: url(images/corner.png) no-repeat 0px -23px; - -background: url(images/corner_ie6.png) no-repeat 0px -23px; -} -.gwt-SuggestBoxPopup .suggestPopupTopRight { - background: url(images/corner.png) no-repeat -5px -23px; - -background: url(images/corner_ie6.png) no-repeat -5px -23px; -} -.gwt-SuggestBoxPopup .suggestPopupBottomLeft { - background: url(images/corner.png) no-repeat 0px -28px; - -background: url(images/corner_ie6.png) no-repeat 0px -28px; -} -.gwt-SuggestBoxPopup .suggestPopupBottomRight { - background: url(images/corner.png) no-repeat -5px -28px; - -background: url(images/corner_ie6.png) no-repeat -5px -28px; -} -* html .gwt-SuggestBoxPopup .suggestPopupTopLeftInner { - width: 5px; - height: 5px; - overflow: hidden; -} -* html .gwt-SuggestBoxPopup .suggestPopupTopRightInner { - width: 8px; - height: 5px; - overflow: hidden; -} -* html .gwt-SuggestBoxPopup .suggestPopupBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-SuggestBoxPopup .suggestPopupBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-TabBar { -} -.gwt-TabBar .gwt-TabBarFirst { - width: 5px; /* first tab distance from the left */ -} -.gwt-TabBar .gwt-TabBarRest { -} -.gwt-TabBar .gwt-TabBarItem { - margin-left: 6px; - padding: 3px 6px 3px 6px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #e3e3e3; -} -.gwt-TabBar .gwt-TabBarItem-selected { - cursor: default; - background: #bcbcbc; -} -.gwt-TabBar .gwt-TabBarItem-disabled { - cursor: default; - color: #999999; -} -.gwt-TabPanel { -} -.gwt-TabPanelBottom { - border-color: #bcbcbc; - border-style: solid; - border-width: 3px 2px 2px; - overflow: hidden; - padding: 6px; -} - -.gwt-DecoratedTabBar { -} -.gwt-DecoratedTabBar .gwt-TabBarFirst { - width: 5px; /* first tab distance from the left */ -} -.gwt-DecoratedTabBar .gwt-TabBarRest { -} -.gwt-DecoratedTabBar .gwt-TabBarItem { - border-collapse: collapse; - margin-left: 6px; -} -.gwt-DecoratedTabBar .tabTopCenter { - padding: 0px; - background: #e3e3e3; -} -.gwt-DecoratedTabBar .tabTopLeft, -.gwt-DecoratedTabBar .tabTopRight { - padding: 0px; - zoom: 1; -} -.gwt-DecoratedTabBar .tabTopLeftInner, -.gwt-DecoratedTabBar .tabTopRightInner { - width: 6px; - height: 6px; -} -.gwt-DecoratedTabBar .tabTopLeft { - background: url(images/corner.png) no-repeat 0px -55px; - -background: url(images/corner_ie6.png) no-repeat 0px -55px; -} -.gwt-DecoratedTabBar .tabTopRight { - background: url(images/corner.png) no-repeat -6px -55px; - -background: url(images/corner_ie6.png) no-repeat -6px -55px; -} -* html .gwt-DecoratedTabBar .tabTopLeftInner, -* html .gwt-DecoratedTabBar .tabTopRightInner { - width: 6px; - height: 6px; - overflow: hidden; -} -.gwt-DecoratedTabBar .tabMiddleLeft, -.gwt-DecoratedTabBar .tabMiddleRight { - width: 6px; - padding: 0px; - background: #e3e3e3 url(images/hborder.png) repeat-x 0px -1463px; -} -.gwt-DecoratedTabBar .tabMiddleLeftInner, -.gwt-DecoratedTabBar .tabMiddleRightInner { - width: 1px; - height: 1px; -} -.gwt-DecoratedTabBar .tabMiddleCenter { - padding: 0px 4px 2px 4px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #e3e3e3 url(images/hborder.png) repeat-x 0px -1463px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabTopCenter { - background: #747474; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabTopLeft { - background-position: 0px -61px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabTopRight { - background-position: -6px -61px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabMiddleLeft, -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabMiddleRight { - background: #bcbcbc url(images/hborder.png) repeat-x 0px -2511px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabMiddleCenter { - cursor: default; - background: #bcbcbc url(images/hborder.png) repeat-x 0px -2511px; - color: white; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-disabled .tabMiddleCenter { - cursor: default; - color: #999999; -} - -.gwt-TextArea { - padding: 2px; -} -.gwt-TextArea-readonly { - color: #888; -} - -.gwt-TextBox { - padding: 2px; -} -.gwt-TextBox-readonly { - color: #888; -} - -.gwt-ToggleButton-up, -.gwt-ToggleButton-up-hovering, -.gwt-ToggleButton-up-disabled, -.gwt-ToggleButton-down, -.gwt-ToggleButton-down-hovering, -.gwt-ToggleButton-down-disabled { - margin: 0; - text-decoration: none; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.gwt-ToggleButton-up, -.gwt-ToggleButton-up-hovering, -.gwt-ToggleButton-up-disabled { - padding: 3px 5px 3px 5px; -} -.gwt-ToggleButton-up { - border: 1px outset #ccc; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-up-hovering { - border: 1px outset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-up-disabled { - border: 1px outset #ccc; - cursor: default; - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} -.gwt-ToggleButton-down, -.gwt-ToggleButton-down-hovering, -.gwt-ToggleButton-down-disabled { - padding: 4px 4px 2px 6px; -} -.gwt-ToggleButton-down { - background-position: 0 -513px; - border: 1px inset #ccc; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-down-hovering { - background-position: 0 -513px; - border: 1px inset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-down-disabled { - background-position: 0 -513px; - border: 1px inset #ccc; - cursor: default; - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} - -.gwt-Tree .gwt-TreeItem { - padding: 1px 0px; - margin: 0px; - white-space: nowrap; - cursor: hand; - cursor: pointer; -} -.gwt-Tree .gwt-TreeItem-selected { - background: #93c2f1 url(images/hborder.png) repeat-x 0px -1463px; -} -.gwt-TreeItem .gwt-RadioButton input, -.gwt-TreeItem .gwt-CheckBox input { - margin-left: 0px; -} -* html .gwt-TreeItem .gwt-RadioButton input, -* html .gwt-TreeItem .gwt-CheckBox input { - margin-left: -4px; -} - -.gwt-DateBox input { - width: 8em; -} -.dateBoxFormatError { - background: #eed6d6; -} -.dateBoxPopup { -} - -.gwt-DatePicker { - border: 1px solid #888; - cursor: default; -} -.gwt-DatePicker td, -.datePickerMonthSelector td:focus { - outline: none -} -.datePickerDays { - width: 100%; - background: white; -} -.datePickerDay, -.datePickerWeekdayLabel, -.datePickerWeekendLabel { - font-size: 75%; - text-align: center; - padding: 4px; - outline: none; -} -.datePickerWeekdayLabel, -.datePickerWeekendLabel { - background: #c1c1c1; - padding: 0px 4px 2px; - cursor: default; -} -.datePickerDay { - padding: 4px; - cursor: hand; - cursor: pointer; -} -.datePickerDayIsToday { - border: 1px solid black; - padding: 3px; -} -.datePickerDayIsWeekend { - background: #EEEEEE; -} -.datePickerDayIsFiller { - color: #888888; -} -.datePickerDayIsValue { - background: #abf; -} -.datePickerDayIsDisabled { - color: #AAAAAA; - font-style: italic; -} -.datePickerDayIsHighlighted { - background: #dde; -} -.datePickerDayIsValueAndHighlighted { - background: #ccf; -} -.datePickerMonthSelector { - background: #c1c1c1; - width: 100%; -} -td.datePickerMonth { - text-align: center; - vertical-align: center; - white-space: nowrap; - font-size: 70%; - font-weight: bold; -} -.datePickerPreviousButton, -.datePickerNextButton { - font-size: 120%; - line-height: 1em; - cursor: hand; - cursor: pointer; - padding: 0px 4px; -} - -.gwt-StackLayoutPanel { - border-bottom: 1px solid #bbbbbb; -} -.gwt-StackLayoutPanel .gwt-StackLayoutPanelHeader { - cursor: pointer; - cursor: hand; - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; - - font-weight: bold; - font-size: 1.3em; - padding: 3px; - text-align: center; -} -.gwt-StackLayoutPanel .gwt-StackLayoutPanelHeader-hovering { - background: #d3def6 url(images/hborder.png) repeat-x 0px -1464px; -} -.gwt-StackLayoutPanel .gwt-StackLayoutPanelContent { - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: white; - padding: 2px 2px 10px 5px; -} - -.gwt-TabLayoutPanel { -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelTabs { -} -.gwt-TabLayoutPanelContentContainer { - border-color: #bcbcbc; - border-style: solid; - border-width: 2px 1px 1px; -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelContent { - border-color: #bcbcbc; - border-style: solid; - border-width: 1px; - overflow: hidden; - padding: 6px; -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelTab { - margin-left: 6px; - padding: 3px 6px 3px 6px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #e3e3e3; -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelTab-selected { - cursor: default; - background: #bcbcbc; -} - -.gwt-SplitLayoutPanel-HDragger { - background: white url(images/splitPanelThumb.png) center center no-repeat; - cursor: col-resize; -} - -.gwt-SplitLayoutPanel-VDragger { - background: white url(images/splitPanelThumb.png) center center no-repeat; - cursor: row-resize; -} diff --git a/public/jsme_bak/gwt/chrome/chrome_rtl.css b/public/jsme_bak/gwt/chrome/chrome_rtl.css deleted file mode 100644 index 3d8e80e..0000000 --- a/public/jsme_bak/gwt/chrome/chrome_rtl.css +++ /dev/null @@ -1,1155 +0,0 @@ -/** - * The file contains styles for GWT widgets in the chrome theme, in RTL mode. - * - * In order to maintain cross-browser compatibility, the following syntax is - * used to create IE6 specific style rules: - * .gwt-Widget { - * property: rule applies to all browsers - * -property: rule applies only to IE6 (overrides previous rule) - * } - * * html .gwt-Widget { - * property: rule applies to all versions of IE - * } - */ - -/* -body, table td, select { - font-family: Arial Unicode MS, Arial, sans-serif; - font-size: small; -} -pre { - font-family: "courier new", courier; - font-size: small; -} -body { - color: black; - margin: 0px; - border: 0px; - padding: 0px; - background: #fff; - direction: rtl; -} -a, a:visited, a:hover { - color: #0000AA; -} -*/ -/** - * The reference theme can be used to determine when this style sheet has - * loaded. Create a hidden div element with absolute position, assign the style - * name below, and attach it to the DOM. Use a timer to detect when the - * element's height and width are set to 5px. - */ -.gwt-Reference-chrome-rtl { - height: 5px; - width: 5px; - zoom: 1; -} - -.gwt-Button { - margin: 0; - padding: 3px 5px; - text-decoration: none; - font-size: small; - cursor: pointer; - cursor: hand; - background: url("images/hborder.png") repeat-x 0px -27px; - border: 1px outset #ccc; -} -.gwt-Button:active { - border: 1px inset #ccc; -} -.gwt-Button:hover { - border-color: #9cf #69e #69e #7af; -} -.gwt-Button[disabled] { - cursor: default; - color: #888; -} -.gwt-Button[disabled]:hover { - border: 1px outset #ccc; -} - -.gwt-CheckBox { -} -.gwt-CheckBox-disabled { - color: #888; -} - -.gwt-DecoratorPanel { -} -.gwt-DecoratorPanel .topCenter, -.gwt-DecoratorPanel .bottomCenter { - background: url(images/hborder.png) repeat-x; -} -.gwt-DecoratorPanel .middleLeft, -.gwt-DecoratorPanel .middleRight { - background: url(images/vborder.png) repeat-y; -} -.gwt-DecoratorPanel .topLeftInner, -.gwt-DecoratorPanel .topRightInner, -.gwt-DecoratorPanel .bottomLeftInner, -.gwt-DecoratorPanel .bottomRightInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-DecoratorPanel .topLeft { - background: url(images/corner.png) no-repeat 0px 0px; - -background: url(images/corner_ie6.png) no-repeat 0px 0px; -} -.gwt-DecoratorPanel .topRight { - background: url(images/corner.png) no-repeat -5px 0px; - -background: url(images/corner_ie6.png) no-repeat -5px 0px; -} -.gwt-DecoratorPanel .bottomLeft { - background: url(images/corner.png) no-repeat 0px -5px; - -background: url(images/corner_ie6.png) no-repeat 0px -5px; -} -.gwt-DecoratorPanel .bottomRight { - background: url(images/corner.png) no-repeat -5px -5px; - -background: url(images/corner_ie6.png) no-repeat -5px -5px; -} -* html .gwt-DecoratorPanel .topLeftInner, -* html .gwt-DecoratorPanel .topRightInner, -* html .gwt-DecoratorPanel .bottomLeftInner, -* html .gwt-DecoratorPanel .bottomRightInner { - width: 5px; - height: 5px; - overflow: hidden; -} - -.gwt-DialogBox .Caption { - background: #ebebeb url(images/hborder.png) repeat-x 0px -2003px; - padding: 4px 8px 4px 4px; - cursor: default; - border-bottom: 1px solid #bbbbbb; - border-top: 5px solid #e3e3e3; -} -.gwt-DialogBox .dialogContent { -} -.gwt-DialogBox .dialogMiddleCenter { - padding: 3px; - background: white; -} -.gwt-DialogBox .dialogBottomCenter { - background: url(images/hborder.png) repeat-x 0px -4px; - -background: url(images/hborder_ie6.png) repeat-x 0px -4px; -} -.gwt-DialogBox .dialogMiddleLeft { - background: url(images/vborder.png) repeat-y; -} -.gwt-DialogBox .dialogMiddleRight { - background: url(images/vborder.png) repeat-y -4px 0px; - -background: url(images/vborder_ie6.png) repeat-y -4px 0px; -} -.gwt-DialogBox .dialogTopLeftInner { - width: 5px; - zoom: 1; -} -.gwt-DialogBox .dialogTopRightInner { - width: 8px; - zoom: 1; -} -.gwt-DialogBox .dialogBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-DialogBox .dialogBottomRightInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-DialogBox .dialogTopLeft { - background: url(images/corner.png) no-repeat -13px 0px; - -background: url(images/corner_ie6.png) no-repeat -13px 0px; -} -.gwt-DialogBox .dialogTopRight { - background: url(images/corner.png) no-repeat -18px 0px; - -background: url(images/corner_ie6.png) no-repeat -18px 0px; -} -.gwt-DialogBox .dialogBottomLeft { - background: url(images/corner.png) no-repeat 0px -15px; - -background: url(images/corner_ie6.png) no-repeat 0px -15px; -} -.gwt-DialogBox .dialogBottomRight { - background: url(images/corner.png) no-repeat -5px -15px; - -background: url(images/corner_ie6.png) no-repeat -5px -15px; -} -* html .gwt-DialogBox .dialogTopLeftInner { - width: 5px; - overflow: hidden; -} -* html .gwt-DialogBox .dialogTopRightInner { - width: 8px; - overflow: hidden; -} -* html .gwt-DialogBox .dialogBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-DialogBox .dialogBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-DisclosurePanel { -} -.gwt-DisclosurePanel-open { -} -.gwt-DisclosurePanel-closed { -} -.gwt-DisclosurePanel .header, -.gwt-DisclosurePanel .header a, -.gwt-DisclosurePanel .header td { - text-decoration: none; /* Remove underline from header */ - color: black; - cursor: pointer; - cursor: hand; -} -.gwt-DisclosurePanel .content { - border-right: 3px solid #e3e3e3; - padding: 4px 8px 4px 0px; - margin-right: 6px; -} - -.gwt-FileUpload { -} - -.gwt-Frame { - border-top: 2px solid #666; - border-left: 2px solid #666; - border-right: 2px solid #bbb; - border-bottom: 2px solid #bbb; -} - -.gwt-HorizontalSplitPanel { -} -.gwt-HorizontalSplitPanel .hsplitter { - cursor: move; - border: 0px; - background: #91c0ef url(images/vborder.png) repeat-y; - line-height: 0px; -} -.gwt-VerticalSplitPanel { -} -.gwt-VerticalSplitPanel .vsplitter { - cursor: move; - border: 0px; - background: #91c0ef url(images/hborder.png) repeat-x; - line-height: 0px; -} - -.gwt-HTML { -} - -.gwt-Hyperlink { - cursor: pointer; -} - -.gwt-Image { -} - -.gwt-Label { -} - -.gwt-ListBox { -} - -.gwt-MenuBar { - cursor: default; -} -.gwt-MenuBar .gwt-MenuItem { - cursor: default; -} -.gwt-MenuBar .gwt-MenuItem-selected { - background: #cdcdcd; -} -.gwt-MenuBar .gwt-MenuItem-disabled { - color: #cdcdcd; -} -.gwt-MenuBar-horizontal { - background: #ebebeb url(images/hborder.png) repeat-x 0px -2003px; - border: 1px solid #BBBBBB; -} -.gwt-MenuBar-horizontal .gwt-MenuItem { - padding: 0px 10px; - vertical-align: bottom; - color: #666666; - font-weight: bold; -} -.gwt-MenuBar-horizontal .gwt-MenuItemSeparator { - width: 1px; - padding: 0px; - margin: 0px; - border: 0px; - border-right: 1px solid #888888; - background: white; -} -.gwt-MenuBar-horizontal .gwt-MenuItemSeparator .menuSeparatorInner { - width: 1px; - height: 1px; - background: white; -} -.gwt-MenuBar-vertical { - margin-top: 0px; - margin-right: 0px; - background: white; -} -.gwt-MenuBar-vertical table { - border-collapse: collapse; -} -.gwt-MenuBar-vertical .gwt-MenuItem { - padding: 4px 1px 4px 14px; -} -.gwt-MenuBar-vertical .gwt-MenuItemSeparator { - padding: 2px 0px; -} -.gwt-MenuBar-vertical .gwt-MenuItemSeparator .menuSeparatorInner { - height: 1px; - padding: 0px; - border: 0px; - border-top: 1px solid #777777; - background: #ddddee; - overflow: hidden; -} -.gwt-MenuBar-vertical .subMenuIcon { - padding-left: 4px; -} -.gwt-MenuBar-vertical .subMenuIcon-selected { - background: #cdcdcd; -} -.gwt-MenuBarPopup { - margin: 0px 3px 0px 0px; -} -.gwt-MenuBarPopup .menuPopupTopCenter { - background: url(images/hborder.png) 0px -12px repeat-x; -} -.gwt-MenuBarPopup .menuPopupBottomCenter { - background: url(images/hborder.png) 0px -13px repeat-x; - -background: url(images/hborder_ie6.png) 0px -13px repeat-x; -} -.gwt-MenuBarPopup .menuPopupMiddleLeft { - background: url(images/vborder.png) -12px 0px repeat-y; - -background: url(images/vborder_ie6.png) -12px 0px repeat-y; -} -.gwt-MenuBarPopup .menuPopupMiddleRight { - background: url(images/vborder.png) -13px 0px repeat-y; - -background: url(images/vborder_ie6.png) -13px 0px repeat-y; -} -.gwt-MenuBarPopup .menuPopupTopLeftInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupTopRightInner { - width: 8px; - height: 5px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupBottomRightInner { - width: 8px; - height: 8px; - zoom: 1; -} -.gwt-MenuBarPopup .menuPopupTopLeft { - background: url(images/corner.png) no-repeat 0px -36px; - -background: url(images/corner_ie6.png) no-repeat 0px -36px; -} -.gwt-MenuBarPopup .menuPopupTopRight { - background: url(images/corner.png) no-repeat -5px -36px; - -background: url(images/corner_ie6.png) no-repeat -5px -36px; -} -.gwt-MenuBarPopup .menuPopupBottomLeft { - background: url(images/corner.png) no-repeat 0px -41px; - -background: url(images/corner_ie6.png) no-repeat 0px -41px; -} -.gwt-MenuBarPopup .menuPopupBottomRight { - background: url(images/corner.png) no-repeat -5px -41px; - -background: url(images/corner_ie6.png) no-repeat -5px -41px; -} -* html .gwt-MenuBarPopup .menuPopupTopLeftInner { - width: 5px; - height: 5px; - overflow: hidden; -} -* html .gwt-MenuBarPopup .menuPopupTopRightInner { - width: 8px; - height: 5px; - overflow: hidden; -} -* html .gwt-MenuBarPopup .menuPopupBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-MenuBarPopup .menuPopupBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-PasswordTextBox { - padding: 2px; -} -.gwt-PasswordTextBox-readonly { - color: #888; -} - -.gwt-PopupPanel { - border: 3px solid #e3e3e3; - padding: 3px; - background: white; -} - -.gwt-DecoratedPopupPanel .popupContent { -} -.gwt-DecoratedPopupPanel .popupMiddleCenter { - padding: 3px; - background: #e3e3e3; -} -.gwt-DecoratedPopupPanel .popupTopCenter { - background: url(images/hborder.png) repeat-x; -} -.gwt-DecoratedPopupPanel .popupBottomCenter { - background: url(images/hborder.png) repeat-x 0px -4px; - -background: url(images/hborder_ie6.png) repeat-x 0px -4px; -} -.gwt-DecoratedPopupPanel .popupMiddleLeft { - background: url(images/vborder.png) repeat-y; -} -.gwt-DecoratedPopupPanel .popupMiddleRight { - background: url(images/vborder.png) repeat-y -4px 0px; - -background: url(images/vborder_ie6.png) repeat-y -4px 0px; -} -.gwt-DecoratedPopupPanel .popupTopLeftInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupTopRightInner { - width: 8px; - height: 5px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupBottomRightInner { - width: 8px; - height: 8px; - zoom: 1; -} -.gwt-DecoratedPopupPanel .popupTopLeft { - background: url(images/corner.png) no-repeat 0px -10px; - -background: url(images/corner_ie6.png) no-repeat 0px -10px; -} -.gwt-DecoratedPopupPanel .popupTopRight { - background: url(images/corner.png) no-repeat -5px -10px; - -background: url(images/corner_ie6.png) no-repeat -5px -10px; -} -.gwt-DecoratedPopupPanel .popupBottomLeft { - background: url(images/corner.png) no-repeat 0px -15px; - -background: url(images/corner_ie6.png) no-repeat 0px -15px; -} -.gwt-DecoratedPopupPanel .popupBottomRight { - background: url(images/corner.png) no-repeat -5px -15px; - -background: url(images/corner_ie6.png) no-repeat -5px -15px; -} -* html .gwt-DecoratedPopupPanel .popupTopLeftInner { - width: 5px; - height: 5px; - overflow: hidden; -} -* html .gwt-DecoratedPopupPanel .popupTopRightInner { - width: 8px; - height: 5px; - overflow: hidden; -} -* html .gwt-DecoratedPopupPanel .popupBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-DecoratedPopupPanel .popupBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-PopupPanelGlass { - background-color: #000; - opacity: 0.3; - filter: alpha(opacity=30); -} - -.gwt-PushButton-up, -.gwt-PushButton-up-hovering, -.gwt-PushButton-up-disabled, -.gwt-PushButton-down, -.gwt-PushButton-down-hovering, -.gwt-PushButton-down-disabled { - margin: 0; - text-decoration: none; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.gwt-PushButton-up, -.gwt-PushButton-up-hovering, -.gwt-PushButton-up-disabled { - padding: 3px 5px 3px 5px; -} -.gwt-PushButton-up { - border: 1px outset #ccc; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-up-hovering { - border: 1px outset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-up-disabled { - border: 1px outset #ccc; - cursor: default; - opacity: .5; - filter: alpha(opacity=40); - zoom: 1; -} -.gwt-PushButton-down, -.gwt-PushButton-down-hovering, -.gwt-PushButton-down-disabled { - padding: 4px 4px 2px 6px; -} -.gwt-PushButton-down { - border: 1px inset #666; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-down-hovering { - border: 1px inset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-PushButton-down-disabled { - border: 1px outset #ccc; - cursor: default; - opacity: 0.5; - filter: alpha(opacity=40); - zoom: 1; -} - -.gwt-RadioButton { -} -.gwt-RadioButton-disabled { - color: #888; -} - -.gwt-RichTextArea { -} -.hasRichTextToolbar { - border: 0px; -} -.gwt-RichTextToolbar { - background: #ebebeb url(images/hborder.png) repeat-x 0px -2003px; - border-bottom: 1px solid #BBBBBB; - padding: 3px; - margin: 0px; -} -.gwt-RichTextToolbar .gwt-PushButton-up { - padding: 0px 0px 0px 1px; - margin-left: 4px; - margin-bottom: 4px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-PushButton-up-hovering { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-PushButton-down { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-PushButton-down-hovering { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-up { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-up-hovering { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 0px 0px 1px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-down { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} -.gwt-RichTextToolbar .gwt-ToggleButton-down-hovering { - margin-left: 4px; - margin-bottom: 4px; - padding: 0px 1px 0px 0px; - border-width: 1px; -} - -.gwt-StackPanel { - border-bottom: 1px solid #bbbbbb; -} -.gwt-StackPanel .gwt-StackPanelItem { - cursor: pointer; - cursor: hand; - font-weight: bold; - font-size: 1.3em; - padding: 3px; - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; -} -.gwt-StackPanel .gwt-StackPanelContent { - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: white; - padding: 2px 2px 10px 5px; -} - -.gwt-DecoratedStackPanel { - border-bottom: 1px solid #bbbbbb; -} -.gwt-DecoratedStackPanel .gwt-StackPanelContent { - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: white; - padding: 2px 5px 10px 2px; -} -.gwt-DecoratedStackPanel .gwt-StackPanelItem { - cursor: pointer; - cursor: hand; -} -.gwt-DecoratedStackPanel .stackItemTopLeft, -.gwt-DecoratedStackPanel .stackItemTopRight { - height: 6px; - width: 6px; - zoom: 1; -} -.gwt-DecoratedStackPanel .stackItemTopLeft { - border-left: 1px solid #bbbbbb; - background: #e4e4e4 url(images/corner.png) no-repeat 0px -49px; - -background: #e4e4e4 url(images/corner_ie6.png) no-repeat 0px -49px; -} -.gwt-DecoratedStackPanel .stackItemTopRight { - border-right: 1px solid #bbbbbb; - background: #e4e4e4 url(images/corner.png) no-repeat -6px -49px; - -background: #e4e4e4 url(images/corner_ie6.png) no-repeat -6px -49px; -} -.gwt-DecoratedStackPanel .stackItemTopLeftInner, -.gwt-DecoratedStackPanel .stackItemTopRightInner { - width: 1px; - height: 1px; -} -* html .gwt-DecoratedStackPanel .stackItemTopLeftInner, -* html .gwt-DecoratedStackPanel .stackItemTopRightInner { - width: 6px; - height: 6px; - overflow: hidden; -} -.gwt-DecoratedStackPanel .stackItemTopCenter { - background: url(images/hborder.png) 0px -21px repeat-x; -} -.gwt-DecoratedStackPanel .stackItemMiddleLeft { - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; - border-left: 1px solid #bbbbbb; -} -.gwt-DecoratedStackPanel .stackItemMiddleLeftInner, -.gwt-DecoratedStackPanel .stackItemMiddleRightInner { - width: 1px; - height: 1px; -} -.gwt-DecoratedStackPanel .stackItemMiddleRight { - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; - border-right: 1px solid #bbbbbb; -} -.gwt-DecoratedStackPanel .stackItemMiddleCenter { - font-weight: bold; - font-size: 1.3em; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; -} -.gwt-DecoratedStackPanel .gwt-StackPanelItem-first .stackItemTopRight, -.gwt-DecoratedStackPanel .gwt-StackPanelItem-first .stackItemTopLeft { - border: 0px; - background-color: white; -} -.gwt-DecoratedStackPanel .gwt-StackPanelItem-below-selected .stackItemTopLeft, -.gwt-DecoratedStackPanel .gwt-StackPanelItem-below-selected .stackItemTopRight { - background-color: white; -} - -.gwt-SuggestBox { - padding: 2px; -} -.gwt-SuggestBoxPopup { - margin-right: 3px; -} -.gwt-SuggestBoxPopup .item { - padding: 2px 6px; - color: #424242; - cursor: default; -} -.gwt-SuggestBoxPopup .item-selected { - background: #cdcdcd; -} -.gwt-SuggestBoxPopup .suggestPopupContent { - background: white; -} -.gwt-SuggestBoxPopup .suggestPopupTopCenter { - background: url(images/hborder.png) repeat-x; -} -.gwt-SuggestBoxPopup .suggestPopupBottomCenter { - background: url(images/hborder.png) repeat-x 0px -4px; - -background: url(images/hborder_ie6.png) repeat-x 0px -4px; -} -.gwt-SuggestBoxPopup .suggestPopupMiddleLeft { - background: url(images/vborder.png) repeat-y; -} -.gwt-SuggestBoxPopup .suggestPopupMiddleRight { - background: url(images/vborder.png) repeat-y -4px 0px; - -background: url(images/vborder_ie6.png) repeat-y -4px 0px; -} -.gwt-SuggestBoxPopup .suggestPopupTopLeftInner { - width: 5px; - height: 5px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupTopRightInner { - width: 8px; - height: 5px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupBottomLeftInner { - width: 5px; - height: 8px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupBottomRightInner { - width: 8px; - height: 8px; - zoom: 1; -} -.gwt-SuggestBoxPopup .suggestPopupTopLeft { - background: url(images/corner.png) no-repeat 0px -23px; - -background: url(images/corner_ie6.png) no-repeat 0px -23px; -} -.gwt-SuggestBoxPopup .suggestPopupTopRight { - background: url(images/corner.png) no-repeat -5px -23px; - -background: url(images/corner_ie6.png) no-repeat -5px -23px; -} -.gwt-SuggestBoxPopup .suggestPopupBottomLeft { - background: url(images/corner.png) no-repeat 0px -28px; - -background: url(images/corner_ie6.png) no-repeat 0px -28px; -} -.gwt-SuggestBoxPopup .suggestPopupBottomRight { - background: url(images/corner.png) no-repeat -5px -28px; - -background: url(images/corner_ie6.png) no-repeat -5px -28px; -} -* html .gwt-SuggestBoxPopup .suggestPopupTopLeftInner { - width: 5px; - height: 5px; - overflow: hidden; -} -* html .gwt-SuggestBoxPopup .suggestPopupTopRightInner { - width: 8px; - height: 5px; - overflow: hidden; -} -* html .gwt-SuggestBoxPopup .suggestPopupBottomLeftInner { - width: 5px; - height: 8px; - overflow: hidden; -} -* html .gwt-SuggestBoxPopup .suggestPopupBottomRightInner { - width: 8px; - height: 8px; - overflow: hidden; -} - -.gwt-TabBar { -} -.gwt-TabBar .gwt-TabBarFirst { - width: 5px; /* first tab distance from the left */ -} -.gwt-TabBar .gwt-TabBarRest { -} -.gwt-TabBar .gwt-TabBarItem { - margin-left: 6px; - padding: 3px 6px 3px 6px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #e3e3e3; -} -.gwt-TabBar .gwt-TabBarItem-selected { - cursor: default; - background: #bcbcbc; -} -.gwt-TabBar .gwt-TabBarItem-disabled { - cursor: default; - color: #999999; -} -.gwt-TabPanel { -} -.gwt-TabPanelBottom { - border-color: #bcbcbc; - border-style: solid; - border-width: 3px 2px 2px; - overflow: hidden; - padding: 6px; -} - -.gwt-DecoratedTabBar { -} -.gwt-DecoratedTabBar .gwt-TabBarFirst { - width: 5px; /* first tab distance from the left */ -} -.gwt-DecoratedTabBar .gwt-TabBarRest { -} -.gwt-DecoratedTabBar .gwt-TabBarItem { - border-collapse: collapse; - margin-right: 6px; -} -.gwt-DecoratedTabBar .tabTopCenter { - padding: 0px; - background: #e3e3e3; -} -.gwt-DecoratedTabBar .tabTopLeft, -.gwt-DecoratedTabBar .tabTopRight { - padding: 0px; - zoom: 1; -} -.gwt-DecoratedTabBar .tabTopLeftInner, -.gwt-DecoratedTabBar .tabTopRightInner { - width: 6px; - height: 6px; -} -.gwt-DecoratedTabBar .tabTopLeft { - background: url(images/corner.png) no-repeat 0px -55px; - -background: url(images/corner_ie6.png) no-repeat 0px -55px; -} -.gwt-DecoratedTabBar .tabTopRight { - background: url(images/corner.png) no-repeat -6px -55px; - -background: url(images/corner_ie6.png) no-repeat -6px -55px; -} -* html .gwt-DecoratedTabBar .tabTopLeftInner, -* html .gwt-DecoratedTabBar .tabTopRightInner { - width: 6px; - height: 6px; - overflow: hidden; -} -.gwt-DecoratedTabBar .tabMiddleLeft, -.gwt-DecoratedTabBar .tabMiddleRight { - width: 6px; - padding: 0px; - background: #e3e3e3 url(images/hborder.png) repeat-x 0px -1463px; -} -.gwt-DecoratedTabBar .tabMiddleLeftInner, -.gwt-DecoratedTabBar .tabMiddleRightInner { - width: 1px; - height: 1px; -} -.gwt-DecoratedTabBar .tabMiddleCenter { - padding: 0px 4px 2px 4px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #e3e3e3 url(images/hborder.png) repeat-x 0px -1463px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabTopCenter { - background: #747474; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabTopLeft { - background-position: 0px -61px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabTopRight { - background-position: -6px -61px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabMiddleLeft, -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabMiddleRight { - background: #bcbcbc url(images/hborder.png) repeat-x 0px -2511px; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-selected .tabMiddleCenter { - cursor: default; - background: #bcbcbc url(images/hborder.png) repeat-x 0px -2511px; - color: white; -} -.gwt-DecoratedTabBar .gwt-TabBarItem-disabled .tabMiddleCenter { - cursor: default; - color: #999999; -} - -.gwt-TextArea { - padding: 2px; -} -.gwt-TextArea-readonly { - color: #888; -} - -.gwt-TextBox { - padding: 2px; -} -.gwt-TextBox-readonly { - color: #888; -} - -.gwt-ToggleButton-up, -.gwt-ToggleButton-up-hovering, -.gwt-ToggleButton-up-disabled, -.gwt-ToggleButton-down, -.gwt-ToggleButton-down-hovering, -.gwt-ToggleButton-down-disabled { - margin: 0; - text-decoration: none; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.gwt-ToggleButton-up, -.gwt-ToggleButton-up-hovering, -.gwt-ToggleButton-up-disabled { - padding: 3px 5px 3px 5px; -} -.gwt-ToggleButton-up { - border: 1px outset #ccc; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-up-hovering { - border: 1px outset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-up-disabled { - border: 1px outset #ccc; - cursor: default; - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} -.gwt-ToggleButton-down, -.gwt-ToggleButton-down-hovering, -.gwt-ToggleButton-down-disabled { - padding: 4px 4px 2px 6px; -} -.gwt-ToggleButton-down { - background-position: 0 -513px; - border: 1px inset #ccc; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-down-hovering { - background-position: 0 -513px; - border: 1px inset; - border-color: #9cf #69e #69e #7af; - cursor: pointer; - cursor: hand; -} -.gwt-ToggleButton-down-disabled { - background-position: 0 -513px; - border: 1px inset #ccc; - cursor: default; - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} - -.gwt-Tree .gwt-TreeItem { - padding: 1px 0px; - margin: 0px; - white-space: nowrap; - cursor: hand; - cursor: pointer; - zoom: 1; -} -.gwt-Tree .gwt-TreeItem-selected { - background: #93c2f1 url(images/hborder.png) repeat-x 0px -1463px; -} -.gwt-TreeItem .gwt-RadioButton input, -.gwt-TreeItem .gwt-CheckBox input { - margin-right: 0px; -} -* html .gwt-TreeItem .gwt-RadioButton input, -* html .gwt-TreeItem .gwt-CheckBox input { - margin-right: -4px; -} - -.gwt-DateBox input { - width: 8em; -} -.dateBoxFormatError { - background: #eed6d6; -} -.dateBoxPopup { -} - -.gwt-DatePicker { - border: 1px solid #888; - cursor: default; -} -.gwt-DatePicker td, -.datePickerMonthSelector td:focus { - outline: none -} -.datePickerDays { - width: 100%; - background: white; -} -.datePickerDay, -.datePickerWeekdayLabel, -.datePickerWeekendLabel { - font-size: 75%; - text-align: center; - padding: 4px; - outline: none; -} -.datePickerWeekdayLabel, -.datePickerWeekendLabel { - background: #c1c1c1; - padding: 0px 4px 2px; - cursor: default; -} -.datePickerDay { - padding: 4px; - cursor: hand; - cursor: pointer; -} -.datePickerDayIsToday { - border: 1px solid black; - padding: 3px; -} -.datePickerDayIsWeekend { - background: #EEEEEE; -} -.datePickerDayIsFiller { - color: #888888; -} -.datePickerDayIsValue { - background: #abf; -} -.datePickerDayIsDisabled { - color: #AAAAAA; - font-style: italic; -} -.datePickerDayIsHighlighted { - background: #dde; -} -.datePickerDayIsValueAndHighlighted { - background: #ccf; -} -.datePickerMonthSelector { - background: #c1c1c1; - width: 100%; -} -td.datePickerMonth { - text-align: center; - vertical-align: center; - white-space: nowrap; - font-size: 70%; - font-weight: bold; -} -.datePickerPreviousButton, -.datePickerNextButton { - font-size: 120%; - line-height: 1em; - cursor: hand; - cursor: pointer; - padding: 0px 4px; -} - -.gwt-StackLayoutPanel { - border-bottom: 1px solid #bbbbbb; -} -.gwt-StackLayoutPanel .gwt-StackLayoutPanelHeader { - cursor: pointer; - cursor: hand; - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; - - font-weight: bold; - font-size: 1.3em; - padding: 3px; - text-align: center; -} -.gwt-StackLayoutPanel .gwt-StackLayoutPanelHeader-hovering { - background: #d3def6 url(images/hborder.png) repeat-x 0px -1464px; -} -.gwt-StackLayoutPanel .gwt-StackLayoutPanelContent { - border: 1px solid #bbbbbb; - border-bottom: 0px; - background: white; - padding: 2px 5px 10px 2px; -} - -.gwt-TabLayoutPanel { -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelTabs { -} -.gwt-TabLayoutPanelContentContainer { - border-color: #bcbcbc; - border-style: solid; - border-width: 2px 1px 1px; -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelContent { - border-color: #bcbcbc; - border-style: solid; - border-width: 1px; - overflow: hidden; - padding: 6px; -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelTab { - margin-left: 6px; - padding: 3px 6px 3px 6px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #e3e3e3; -} -.gwt-TabLayoutPanel .gwt-TabLayoutPanelTab-selected { - cursor: default; - background: #bcbcbc; -} - -.gwt-SplitLayoutPanel-HDragger { - background: white url(images/splitPanelThumb.png) center center no-repeat; - cursor: col-resize; -} - -.gwt-SplitLayoutPanel-VDragger { - background: white url(images/splitPanelThumb.png) center center no-repeat; - cursor: row-resize; -} diff --git a/public/jsme_bak/gwt/chrome/images/button/menu-button-arrow-disabled.png 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a/public/jsme_bak/gwt/chrome/mosaic.css +++ /dev/null @@ -1,1252 +0,0 @@ -/** - * The file contains styles for GWT widgets in the standard theme. - * - * In order to maintain cross-browser compatibility, the following syntax is - * used to create IE6 specific style rules: - * html>body .gwt-Widget { - * Rule applies to all browsers (including IE7), except IE6 - * } - * * html .gwt-Widget { - * Rule applied to IE6 only (not to IE7) - * } - * - * Specifically, IE6 does not support images with multiple transparent colors, - * so we need to use the AlphaImageLoader in IE6 only. - */ - -/** - * The reference theme can be used to determine when this style sheet has - * loaded. Create a hidden div element with absolute position, assign the style - * name below, and attach it to the DOM. Use a timer to detect when the - * element's height and width are set to 5px. - */ -.mosaic-Reference-chrome { - height: 5px; - width: 5px; - zoom: 1; -} -/* -body { - font-family: arial,sans-serif; -} - -div,td { - color: #000000; -} - -a:link { - color:#0000cc; -} - -a:visited { - color:#551a8b; -} - -a:active { - color:#ff0000; -} - -*/ -/*** Button ***/ - -.gwt-Button { - /* IE hack */ - overflow: visible; -} - -/*** TextBox & TextArea */ - -.gwt-TextBox, -.gwt-PasswordTextBox, -.gwt-TextArea { - margin: 0px; - padding: 0px; - text-decoration: none; - font-size: 10pt; - border: 1px inset #ccc; -} - -/*** DecoratedButton ***/ - -.mosaic-DecoratedButton { - margin: 0px; - text-decoration: none; - font-size: small; - cursor: pointer; - cursor: hand; - background: url("images/hborder.png") repeat-x 0px -27px; - border: none; - border-collapse: collapse; - table-layout: fixed; -} -.mosaic-DecoratedButton .buttonTopCenter, -.mosaic-DecoratedButton .buttonBottomCenter { - height: 1px !important; - background: #444; -} -.mosaic-DecoratedButton .buttonTopCenterInner, -.mosaic-DecoratedButton .buttonBottomCenterInner { - height: 1px !important; - background: #f00; -} -.mosaic-DecoratedButton .buttonMiddleLeft, -.mosaic-DecoratedButton .buttonMiddleRight { - width: 1px; - background: #444; -} -.mosaic-DecoratedButton .buttonTopLeftInner, -.mosaic-DecoratedButton .buttonTopRightInner, -.mosaic-DecoratedButton .buttonBottomLeftInner, -.mosaic-DecoratedButton .buttonBottomRightInner { - width: 1px; - height: 1px; -} -.mosaic-DecoratedButton .buttonMiddleCenterInner { - width: 100%; - height: 100%; - background: #0ff; -} - -/*** ComboBox ***/ - -.mosaic-ComboBox { - border: 1px inset #ccc; - background: url("images/hborder.png") repeat-x 0px -27px; -} - -.mosaic-ComboBox input { - border: 0px; - text-align: middle; -} -.mosaic-ComboBox button { - width: 17px !important; - border: 0px; - border-left: 1px solid #ccc; - padding: 0px; - background-position: center center; - background-repeat: no-repeat; - background-image: url(images/combobox/arrow-down.png); -} - -/*** ToolButton ***/ - -.mosaic-ToolButton { - margin: 0px; - padding: 0px; - border: 0px; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.mosaic-ToolButton .mosaic-Button { - margin: 0; - padding: 3px 5px; - text-decoration: none; - font-size: small; - cursor: pointer; - cursor: hand; - background: url("images/hborder.png") repeat-x 0px -27px; - border: 1px outset #ccc; -} -.mosaic-ToolButton .mosaic-Button:active { - border: 1px inset #ccc; -} -.mosaic-ToolButton .mosaic-Button:hover { - border-color: #9cf #69e #69e #7af; -} -.mosaic-ToolButton .mosaic-Button[disabled] { - cursor: default; - color: #888; -} -.mosaic-ToolButton .mosaic-Button[disabled]:hover { - border: 1px outset #ccc; -} -.mosaic-ToolButton .mosaic-Button { - background: none; -} -.mosaic-ToolButton .mosaic-Menu-Button, -.mosaic-ToolButton .mosaic-Split-Button { - padding-right: 20px; - background-position: right center; - background-repeat: no-repeat; -} -.mosaic-ToolButton .mosaic-Menu-Button { - background-image: url(images/button/menu-button-arrow.png); -} -.mosaic-ToolButton .mosaic-Split-Button { - background-image: url(images/button/split-button-arrow.png); -} -.mosaic-ToolButton .mosaic-Split-Button-focus { - background-image: url(split-button-arrow-focus.png); -} -.mosaic-ToolButton .mosaic-Split-Button-hover { - background-image: url(images/button/split-button-arrow-hover.png); -} -.mosaic-ToolButton .mosaic-Split-Button-activeoption { - background-image: url(images/button/split-button-arrow-active.png); -} - -/* Checked state */ - -.mosaic-ToolButton .mosaic-Checkbox-Button-checked { - border: 1px inset #ccc; - background-color: #ccc; -} - -/* Disabled state */ - -.mosaic-ToolButton .mosaic-Menu-Button-disabled { - background-image: url(images/button/menu-button-arrow-disabled.png); -} - -.mosaic-ToolButton .mosaic-Split-Button-disabled { - background-image: url(images/button/split-button-arrow-disabled.png); -} - -.mosaic-ToolButton .mosaic-Checkbox-Button-checked[disabled] { - border: 1px inset #ccc; -} - -/*** Caption ***/ - -.mosaic-Caption { - background: #e3e8f3 url(images/hborder.png) repeat-x 0px -2003px; - border-bottom: 1px solid #bbbbbb; -} -.mosaic-Caption-iconBoxLeft { - padding: 0px 0px 0px 2px; -} -.mosaic-Caption-iconBoxRight { - padding: 0px 2px 0px 0px; -} -.mosaic-Caption-text { - padding: 4px 4px 4px 4px; - text-align: left !important; - font-weight: bold; - white-space: nowrap; - overflow: hidden; -} - -/*** DropDownPanel ***/ - -.mosaic-DropDownPanel { - -} - -.mosaic-DropDownPanel .mosaic-ComboBoxList { - background: white; - border: none; - margin: 0px; - padding: 0px; -} - -.mosaic-DropDownPanel .gwt-ScrollTable, -.mosaic-DropDownPanel .mosaic-ColumnWidget, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable { - border-color: #aaa; - border-style: solid; - border-width: 1px 0px 1px 1px; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .headerWrapper, -.mosaic-DropDownPanel .mosaic-ColumnWidget .headerWrapper, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .headerWrapper { - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .footerWrapper, -.mosaic-DropDownPanel .mosaic-ColumnWidget .footerWrapper, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .footerWrapper { - border-top: 1px solid #aaa; - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable td, -.mosaic-DropDownPanel .gwt-ScrollTable .headerTable td, -.mosaic-DropDownPanel .gwt-ScrollTable .footerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .headerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .footerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .headerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .footerTable td { - border-color: #aaa; - border-style: solid; - border-width: 0px 0px 0px 0px; - white-space: nowrap; - overflow: hidden; - padding: 1px 3px; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .headerTable td, -.mosaic-DropDownPanel .gwt-ScrollTable .footerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .headerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .footerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .headerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .footerTable td { - color: #fff; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.hovering, -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.highlighted { - background: #C3D9FF; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.hovering, -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.highlighted { - /*background: #FFFFAA;*/ - cursor: hand; - cursor: pointer; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.selected td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.selected td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.selected td { - background: #7AA5D6; -} - -/*** WindowPanel ***/ - -.mosaic-WindowPanel { -} -.mosaic-WindowPanel .mosaic-CaptionLayoutPanel .dragdrop-handle { - cursor: move; - user-select: none; - -khtml-user-select: none; - -moz-user-select: none; -} -.mosaic-WindowPanel .mosaic-CaptionLayoutPanel { - padding: 0px; - margin: 0px; - - /* debug */ - /*border: 1px solid #00f;*/ -} -.mosaic-WindowPanel .Body { - background: white; -} -.mosaic-MessageBox .Body { - background: none; -} -.mosaic-WindowPanel .Footer { -} -.mosaic-WindowPanel .popupMiddleCenter { - padding: 0px; - margin: 0px; -} -.mosaic-WindowPanel .Resize-nw { - cursor: nw-resize; -} -.mosaic-WindowPanel .Resize-n { - cursor: n-resize; -} -.mosaic-WindowPanel .Resize-ne { - cursor: ne-resize; -} -.mosaic-WindowPanel .Resize-e { - cursor: e-resize; -} -.mosaic-WindowPanel .Resize-se { - cursor: se-resize; -} -.mosaic-WindowPanel .Resize-s { - cursor: s-resize; -} -.mosaic-WindowPanel .Resize-sw { - cursor: sw-resize; -} -.mosaic-WindowPanel .Resize-w { - cursor: w-resize; -} - -/*** GlassPanel ***/ - -.mosaic-GlassPanel-loading, -.gwt-GlassPanel { - /* Override glass panel color to be `green` */ - background-color: #000 !important; - background-repeat: repeat; - - /* Override glass panel to 10% opacity (= 90% transparency) */ - filter: alpha(opacity = 10) !important; /* IE */ - opacity: 0.1 !important; /* non-IE */ - - /* - NOTE: Please do NOT use either CSS 'width' or 'height' here, as - this would defeat much of the effort that went into GlassPanel - in order to get it to work consistently in a variety of - circumstances. Specifically, please resist the urge to use - 'width/height: 100%' or similar constructs. - */ -} -.mosaic-GlassPanel-invisible { - /* Override glass panel color to be `green` */ - background-color: #000 !important; - background-repeat: repeat; - - /* Override glass panel to 0% opacity (= 100% transparency) */ - filter: alpha(opacity = 0) !important; /* IE */ - opacity: 0.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-default, -.mosaic-GlassPanel-blue_ridge { - background-image: url("images/glasspanel/blue_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 33) !important; /* IE */ - opacity: 0.3 !important; /* non-IE */ -} -.mosaic-GlassPanel-countertop { - background-image: url("images/glasspanel/countertop.png"); - background-repeat: repeat; - - filter: alpha(opacity = 40) !important; /* IE */ - opacity: 0.4 !important; /* non-IE */ -} -.mosaic-GlassPanel-fish { - background-image: url("images/glasspanel/fish.png"); - background-repeat: repeat; -} -.mosaic-GlassPanel-fleur_de_lis { - background-image: url("images/glasspanel/fleur_de_lis.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-floral { - background-image: url("images/glasspanel/floral.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-moss_ridge { - background-image: url("images/glasspanel/moss_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-numbers { - background-image: url("images/glasspanel/numbers.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-sky_ridge { - background-image: url("images/glasspanel/sky_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-snow_ridge { - background-image: url("images/glasspanel/snow_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} - -/*** ImageButton ***/ - -.mosaic-ImageButton { - cursor: pointer; -} - -.mosaic-ImageButton img { - display: block; - - /* - * Unfortunately, in IE, border-color: transparent is rendered as black. - * We get around the border on hover displacement of content by adjusting - * the margin/padding at the same time. - */ - border: 0px solid transparent; - margin: 1px; -} -.mosaic-ImageButton img:hover { - /* - * Unfortunately, in IE, border-color: transparent is rendered as black. - * We get around the border on hover displacement of content by adjusting - * the margin/padding at the same time. - */ - border: 1px solid #4d4d4d; - margin: 0px; - - background-color: #ccc; -} -.mosaic-ImageButton img:active { - background-color: #dcc; -} - -/*** InfoPanel ***/ - -.mosaic-InfoPanel { -} -.mosaic-InfoPanel-panel { -} -.mosaic-InfoPanel-caption { - font-weight: bold; - display: block; -} -.mosaic-InfoPanel-description { -} - -/*** TabLayoutPanel ***/ - -.mosaic-TabLayoutPanel { -} - -.mosaic-TabLayoutPanelBottom { -/* - border-color: #92c1f0; - border-style: solid; - border-width: 3px 2px 2px 2px; -*/ -} - -/*** ScrollTabBar ***/ - -.mosaic-ScrollTabBar { -} - -.mosaic-ScrollTabBar .mosaic-ScrollTabBar-NavBar { - margin: 0px 2px !important; -} - -.mosaic-ScrollTabBar button { - padding: 0px !important; - margin: 0px 0px 2px 0px !important; - border: 1px solid #ccc; -} - -/*** ScrollTable ***/ - -.gwt-ScrollTable, -.mosaic-ColumnWidget, -.mosaic-ScrollTreeTable { - border-color: #aaa; - border-style: solid; - border-width: 1px 0px 1px 1px; -} - -.gwt-ScrollTable .headerWrapper, -.mosaic-ColumnWidget .headerWrapper, -.mosaic-ScrollTreeTable .headerWrapper { - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.gwt-ScrollTable .footerWrapper, -.mosaic-ColumnWidget .footerWrapper, -.mosaic-ScrollTreeTable .footerWrapper { - border-top: 1px solid #aaa; - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.gwt-ScrollTable .dataTable td, -.gwt-ScrollTable .headerTable td, -.gwt-ScrollTable .footerTable td, -.mosaic-ColumnWidget .dataTable td, -.mosaic-ColumnWidget .headerTable td, -.mosaic-ColumnWidget .footerTable td, -.mosaic-ScrollTreeTable .dataTable td, -.mosaic-ScrollTreeTable .headerTable td, -.mosaic-ScrollTreeTable .footerTable td { - border-color: #aaa; - border-style: solid; - border-width: 0px 1px 1px 0px; - white-space: nowrap; - overflow: hidden; -} - -.gwt-ScrollTable .headerTable td, -.gwt-ScrollTable .footerTable td, -.mosaic-ColumnWidget .headerTable td, -.mosaic-ColumnWidget .footerTable td, -.mosaic-ScrollTreeTable .headerTable td, -.mosaic-ScrollTreeTable .footerTable td { - color: #fff; -} - -.gwt-ScrollTable .dataTable tr.highlighted, /* gen2 */ -.gwt-ScrollTable .dataTable tr.hovering, -.mosaic-ColumnWidget .dataTable tr.hovering, -.mosaic-ScrollTreeTable .dataTable tr.hovering { - background: #C3D9FF; -} - -.gwt-ScrollTable .dataTable td.highlighted, /* gen2 */ -.gwt-ScrollTable .dataTable td.hovering, -.mosaic-ColumnWidget .dataTable td.hovering, -.mosaic-ScrollTreeTable .dataTable td.hovering { - background: #FFFFAA; - cursor: hand; - cursor: pointer; -} - -.gwt-ScrollTable .dataTable tr.selected, -.mosaic-ColumnWidget .dataTable tr.selected, -.mosaic-ScrollTreeTable .dataTable tr.selected { - background: #7AA5D6; -} - -.gwt-ScrollTable .pagingOptions { - background: #e8eef7; - border-top: 1px solid #aaa; - border-right: 1px solid #aaa; - padding: 1px 0px; -} - -.gwt-ScrollTable .pagingOptions .errorMessage { - color: red; -} - -.gwt-PagingOptions .gwt-Image { - cursor: hand; - cursor: pointer; -} - -.gwt-InlineCellEditor { - border: 3px solid #7AA5D6; - padding: 4px; - background: white; - overflow: auto; -} -.gwt-InlineCellEditor .accept { - cursor: pointer; - cursor: hand; -} -.gwt-InlineCellEditor .cancel { - cursor: pointer; - cursor: hand; -} - -/*** CaptionLayoutPanel ***/ - -.mosaic-CaptionLayoutPanel { - padding: 0px; - margin: 0px; - - /* debug */ - /*border: 1px dotted #00f;*/ -} -.mosaic-CaptionLayoutPanel .Body { - - /* debug */ - /*border: 1px dotted #0f0;*/ -} - -/** DisclosureLayoutPanel */ - -.mosaic-DisclosureLayoutPanel { -} -.mosaic-DisclosureLayoutPanel-open { -} -.mosaic-DisclosureLayoutPanel-close { -} -.mosaic-DisclosureLayoutPanel .mosaic-Caption { - background: none; - border: none; -} -.mosaic-DisclosureLayoutPanel .mosaic-Caption-text a { - text-decoration: none; /* Remove underline from header */ - color: black; - cursor: pointer; - cursor: hand; - padding: 1px; -} -.mosaic-DisclosureLayoutPanel .Body { - border-left: 3px solid #e3e3e3; - padding: 4px 0px 4px 8px; - margin-left: 6px; -} - -/*** LayoutPanel ***/ - -.mosaic-LayoutPanel { - padding: 5px; - margin: 0px; - - /* debug */ - /* - margin: 1px; - border: 1px dotted #f00; - */ -} -.mosaic-LayoutPanel-FormLayout .mosaic-LayoutPanel { - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; -} -.mosaic-LayoutPanel-FillLayout { - padding: 0px; -} -.mosaic-LayoutPanel-BoxLayout { -} -.mosaic-LayoutPanel-BorderLayout { -} -.mosaic-LayoutPanel-BorderLayout .NorthCollapsedImageButton { - border: 1px solid #d0e4f6; - border-top: none; - height: 18px !important; - padding: 0px 1px 1px 1px; - overflow: hidden; -} -.mosaic-LayoutPanel-BorderLayout .SouthCollapsedImageButton { - border: 1px solid #d0e4f6; - border-bottom: none; - height: 18px !important; - padding: 1px 1px 0px 1px; - overflow: hidden; -} -/* TODO -html>body .mosaic-LayoutPanel-BorderLayout .NorthCollapsedImageButton img, -html>body .mosaic-LayoutPanel-BorderLayout .SouthCollapsedImageButton img { - position: absolute; - top: 0px; - right: 0px; -} -*/ -.mosaic-LayoutPanel-BorderLayout .WestCollapsedImageButton { - border: 1px solid #d0e4f6; - border-left: none; - - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; - width: 18px !important; - - padding: 1px 1px 1px 0px; - overflow: hidden; -} -.mosaic-LayoutPanel-BorderLayout .EastCollapsedImageButton { - border: 1px solid #d0e4f6; - border-right: none; - - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; - width: 18px !important; - - padding: 1px 0px 1px 1px; - overflow: hidden; -} -.mosaic-LayoutPanel-BorderLayout .NorthSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: n-resize; -} -.mosaic-LayoutPanel-BorderLayout .NorthSplitBar:hover { - border-top: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .NorthSplitBar-Movable { - background: #000; - cursor: n-resize; -} -.mosaic-LayoutPanel-BorderLayout .SouthSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: s-resize; -} -.mosaic-LayoutPanel-BorderLayout .SouthSplitBar:hover { - border-bottom: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .SouthSplitBar-Movable { - background: #000; - cursor: s-resize; -} -.mosaic-LayoutPanel-BorderLayout .WestSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: w-resize; -} -.mosaic-LayoutPanel-BorderLayout .WestSplitBar:hover { - border-left: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .WestSplitBar-Movable { - background: #000; - cursor: w-resize; -} -.mosaic-LayoutPanel-BorderLayout .EastSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: w-resize; -} -.mosaic-LayoutPanel-BorderLayout .EastSplitBar:hover { - border-right: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .EastSplitBar-Movable { - background: #000; -} - -/*** ToolBar ***/ - -.mosaic-ToolBar { - cursor: default; - padding: 3px; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.mosaic-ToolBar .mosaic-ToolButton { - background: none; - white-space: nowrap; -} -.mosaic-ToolBar .mosaic-ToolBarSeparator { - border-left: 1px solid #ccc; - background: white; - - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; - width: 1px; - - padding: 0px; - margin: 5px 3px; -} - -/*** WidgetWrapper ***/ - -.mosaic-WidgetWrapper { - /* debug */ - /*border: 1px solid;*/ -} - -/*** DateTimePicker ***/ - -.mosaic-DateTimePicker { - border: none; - padding: 0px; - margin: 0px; - cursor: default; - background: #dbe6de; -} - -/*** mosaic-DecoratedBottomTabBar ***/ - -.mosaic-DecoratedBottomTabBar { -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarFirst { - width: 5px; /* first tab distance from the left */ -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarRest { -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem { - border-collapse: collapse; - margin-left: 6px; -} -.mosaic-DecoratedBottomTabBar .tabBottomCenter { - padding: 0px; - background: #d0e4f6; -} -.mosaic-DecoratedBottomTabBar .tabBottomLeft, -.mosaic-DecoratedBottomTabBar .tabBottomRight { - padding: 0px; - zoom: 1; -} -.mosaic-DecoratedBottomTabBar .tabBottomLeftInner, -.mosaic-DecoratedBottomTabBar .tabBottomRightInner { - width: 6px; - height: 6px; -} -html>body .mosaic-DecoratedBottomTabBar .tabBottomLeft { - background: url(images/corner2.png) no-repeat 0px -6px; -} -html>body .mosaic-DecoratedBottomTabBar .tabBottomRight { - background: url(images/corner2.png) no-repeat -6px -6px; -} -* html .mosaic-DecoratedBottomTabBar .tabBottomLeftInner { - width: 5px; - height: 61px; - margin-top: -55px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -* html .mosaic-DecoratedBottomTabBar .tabBottomRightInner { - width: 12px; - height: 61px; - margin-top: -55px; - margin-left: -6px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -.mosaic-DecoratedBottomTabBar .tabMiddleLeft, -.mosaic-DecoratedBottomTabBar .tabMiddleRight { - width: 6px; - padding: 0px; - background: #d0e4f6; -} -.mosaic-DecoratedBottomTabBar .tabMiddleLeftInner, -.mosaic-DecoratedBottomTabBar .tabMiddleRightInner { - width: 1px; - height: 1px; -} -.mosaic-DecoratedBottomTabBar .tabMiddleCenter { - padding: 0px 4px 2px 4px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #d0e4f6; -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomCenter { - background: #92c1f0; -} -html>body .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomLeft { - background-position: 0px 0px; -} -html>body .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomRight { - background-position: -6px 0px; -} -* html .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomLeftInner { - width: 5px; - height: 67px; - margin-top: -61px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -* html .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomRightInner { - width: 12px; - height: 67px; - margin-top: -61px; - margin-left: -6px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabMiddleLeft, -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabMiddleRight { - background: #92c1f0; -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabMiddleCenter { - cursor: default; - background: #92c1f0; -} - -/*** StackLayoutPanel ***/ - -.mosaic-StackLayoutPanel { - /*border: 1px solid #bbbbbb;*/ -} -.mosaic-StackLayoutPanel .mosaic-StackLayoutPanelItem { - cursor: pointer; - cursor: hand; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; -} -.mosaic-StackLayoutPanel .mosaic-StackLayoutPanelItem-selected { - cursor: pointer; - cursor: hand; -} -.mosaic-StackLayoutPanel .mosaic-StackLayoutPanelContent { - /*border: 1px solid #bbbbbb;*/ - /*border-bottom: 0px;*/ -} - -/*** FastTree ***/ - -/* --- Structural CSS --- */ - -.gwt-FastTree { - -moz-user-select: none; - position: relative; -} -.gwt-FastTreeItem { - min-width: 18px; -} -.gwt-FastTreeItem .open,.gwt-FastTreeItem .closed { - width: 100%; -} -.gwt-FastTree .selection-bar { - font-size: 0; - position: absolute; - left: 0; - width: 1px; - z-index: -1; - outline: none; - -moz-outline: none; -} -.gwt-FastTree .selection-bar :focus { - outline: none -} - -/* --- Visual styling --- */ - -.gwt-FastTree .open .treeItemContent,.gwt-FastTree .closed .treeItemContent { - margin-left: 18px; -} -.gwt-FastTreeItem-leaf { - display: block; - padding: 2px; - padding-left: 18px; -} -.gwt-FastTreeItem .children { - margin-left: 10px; -} -.gwt-FastTreeItem .open,.gwt-FastTreeItem .closed,.gwt-FastTreeItem-leaf { - color: black; -} -.gwt-FastTreeItem .open { - background: url('images/fasttree/treeOpen.gif') no-repeat center left; -} -.gwt-FastTreeItem .closed { - background: url('images/fasttree/treeClosed.gif') no-repeat center left; -} -.gwt-FastTreeItem-loading .open { - background: url('images/fasttree/treeLoading.gif') no-repeat center left; -} -.gwt-FastTreeItem-leaf { -} -.gwt-FastTree .treeItemContent { - padding: 2px; -} -.gwt-FastTree .selected .treeItemContent { - background: #e3e8f3 url('images/fasttree/selectionBar.gif') repeat-x; -} - -/*** FastTreeTable ***/ - -/* --- Structural CSS --- */ - -.gwt-FastTreeTable { - -moz-user-select: none; - position: relative; -} -.gwt-FastTreeTable td { - white-space: nowrap; -} -.gwt-FastTreeTableItem { - min-width: 18px; -} -.gwt-FastTreeTableItem .open,.gwt-FastTreeTableItem .closed { - width: 100%; -} -.gwt-FastTreeTable .selection-bar { - font-size: 0; - position: absolute; - left: 0; - width: 1px; - z-index: -1; - outline: none; - -moz-outline: none; -} -.gwt-FastTreeTable .selection-bar :focus { - outline: none -} - -/* --- Visual styling --- */ - -.gwt-FastTreeTable .open .treeItemContent,.gwt-FastTreeTable .closed .treeItemContent { - margin-left: 18px; -} -.gwt-FastTreeTableItem-leaf { - display: block; - padding: 2px; - padding-left: 18px; -} -.gwt-FastTreeTableItem-children { - margin-left: 10px; -} -.gwt-FastTreeTableItem .open,.gwt-FastTreeTableItem .closed,.gwt-FastTreeTableItem-leaf { - color: black; -} -.gwt-FastTreeTableItem .open { - background: url('images/fasttree/treeOpen.gif') no-repeat center left; -} -.gwt-FastTreeTableItem .closed { - background: url('images/fasttree/treeClosed.gif') no-repeat center left; -} -.gwt-FastTreeTableItem-loading .open { - background: url('images/fasttree/treeLoading.gif') no-repeat center left; -} -.gwt-FastTreeTableItem-leaf { -} -.gwt-FastTreeTable .treeItemContent { - padding: 2px; -} -/* -.gwt-FastTreeTable .selected .treeItemContent { - background: #e3e8f3 url('images/fasttree/selectionBar.gif') repeat-x; -} -*/ - -/*** gwt-MenuItem ***/ - -.gwt-MenuBar .gwt-MenuItem-disabled { - cursor: default; - background: none; - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} - -/*** gwt-MenuBarPopup ***/ - -.gwt-MenuBarPopup { - z-index: 2147483647; /* Integer.MAX_VALUE */ -} - -/*** gwt-InlineCellEditor **/ - -.gwt-InlineCellEditor { - z-index: 2147483647; /* Integer.MAX_VALUE */ -} - -/*** gwt-PopupPanel **/ -.gwt-PopupPanel, -.gwt-DecoratedPopupPanel { - z-index: 2147483647; /* Integer.MAX_VALUE */ -} - -/*** mosaic-FormSeparator **/ - -.mosaic-FormSeparator { - font-weight: bold; -} - -.mosaic-FormSeparator div { - border: 1px solid #4d4d4d; -} - -/*** Basic Button with Images ***/ - -.gwt-Button[disabled] table, -.gwt-Button[disabled] img { - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} - -.gwt-Button { - white-space: nowrap; -} - -/*** GWT Incubator SliderBar ***/ - -.gwt-SliderBar-shell { - height: 34pt; - width: 256px; -} - -.gwt-SliderBar-shell .gwt-SliderBar-line { - border: 1px solid #4d4d4d; - background-color: #cdcdcd; - height: 4px; - width: 95%; - top: 22pt; - overflow: hidden; -} - -.gwt-SliderBar-shell .gwt-SliderBar-line-disabled { - border: 1px solid #8d8d8d; -} - -.gwt-SliderBar-shell .gwt-SliderBar-knob { - top: 14pt; - z-index: 1; - cursor: pointer; -} - -.gwt-SliderBar-shell .gwt-SliderBar-tick { - top: 16pt; - width: 1px; - height: 6pt; - background: #4d4d4d; - overflow: hidden; -} - -.gwt-SliderBar-shell .gwt-SliderBar-tick-disabled { - background: #8d8d8d; -} - -.gwt-SliderBar-shell .gwt-SliderBar-label { - top: 2pt; - font-size: 8pt; - cursor: default; -} - -.gwt-SliderBar-shell-focused { - -} - -.gwt-SliderBar-shell .gwt-SliderBar-line-sliding { - cursor: pointer; -} - -/*** GWT Incubator ProgressBar ***/ - -.gwt-ProgressBar-shell { - border: 1px solid #4d4d4d; - background-color: #AAAAAA; - height: 1em; - width: 256px; -} -.gwt-ProgressBar-shell .gwt-ProgressBar-bar { - background-color: #67A7E3; -} -.gwt-ProgressBar-shell .gwt-ProgressBar-text { - padding: 0px; - margin: 0px; - color: white; -} - -/*** GWT Incubator Value Spinner ***/ - -.gwt-ValueSpinner .arrows { - width: 17px; - height: 18px; - margin-left: 1px; -} - -.gwt-ValueSpinner .textBox { - border: 0px; - text-align: right; - font-family: sans-serif; - font-weight: bold; - border: 1px solid #7F9DB9; -} - -.gwt-TimePicker { - padding: 1px; -} - -.gwt-TimePicker .textBox { - border: 0px; - width: 22px; - text-align: center; - font-family: sans-serif; - font-weight: bold; - font-size: 11px; - color: #506374; - border: 1px solid #7F9DB9; - background: url('images/valuespinner/bg_textbox.png') repeat-x; -} - -.gwt-VolumeSlider .gwt-ProgressBar-shell { - border: 1px solid #faf9f7; - border-right: 1px solid #848280; - border-bottom: 1px solid #848280; - background-color: #AAAAAA; - width: 50%; - height: 12pt; -} - -.gwt-VolumeSlider .gwt-ProgressBar-shell .gwt-ProgressBar-bar { - background-color: #67A7E3; -} - -.gwt-VolumeSlider .gwt-ProgressBar-shell .gwt-ProgressBar-text { - padding: 0px; - margin: 0px; - color: white; -} - -.gwt-VolumeSlider .decreaseArrow { - margin: 4px; -} - -.gwt-VolumeSlider .increaseArrow { - margin: 4px; -} diff --git a/public/jsme_bak/gwt/chrome/mosaic_rtl.css b/public/jsme_bak/gwt/chrome/mosaic_rtl.css deleted file mode 100644 index 1c53423..0000000 --- a/public/jsme_bak/gwt/chrome/mosaic_rtl.css +++ /dev/null @@ -1,1252 +0,0 @@ -/** - * The file contains styles for GWT widgets in the standard theme. - * - * In order to maintain cross-browser compatibility, the following syntax is - * used to create IE6 specific style rules: - * html>body .gwt-Widget { - * Rule applies to all browsers (including IE7), except IE6 - * } - * * html .gwt-Widget { - * Rule applied to IE6 only (not to IE7) - * } - * - * Specifically, IE6 does not support images with multiple transparent colors, - * so we need to use the AlphaImageLoader in IE6 only. - */ - -/** - * The reference theme can be used to determine when this style sheet has - * loaded. Create a hidden div element with absolute position, assign the style - * name below, and attach it to the DOM. Use a timer to detect when the - * element's height and width are set to 5px. - */ -.mosaic-Reference-chrome-rtl { - height: 5px; - width: 5px; - zoom: 1; -} - -/* -body { - font-family: arial,sans-serif; -} - -div,td { - color: #000000; -} - -a:link { - color:#0000cc; -} - -a:visited { - color:#551a8b; -} - -a:active { - color:#ff0000; -} -*/ -/*** Button ***/ - -.gwt-Button { - /* IE hack */ - overflow: visible; -} - -/*** TextBox & TextArea */ - -.gwt-TextBox, -.gwt-PasswordTextBox, -.gwt-TextArea { - margin: 0px; - padding: 0px; - text-decoration: none; - font-size: 10pt; - border: 1px inset #ccc; -} - -/*** DecoratedButton ***/ - -.mosaic-DecoratedButton { - margin: 0px; - text-decoration: none; - font-size: small; - cursor: pointer; - cursor: hand; - background: url("images/hborder.png") repeat-x 0px -27px; - border: none; - border-collapse: collapse; - table-layout: fixed; -} -.mosaic-DecoratedButton .buttonTopCenter, -.mosaic-DecoratedButton .buttonBottomCenter { - height: 1px !important; - background: #444; -} -.mosaic-DecoratedButton .buttonTopCenterInner, -.mosaic-DecoratedButton .buttonBottomCenterInner { - height: 1px !important; - background: #f00; -} -.mosaic-DecoratedButton .buttonMiddleLeft, -.mosaic-DecoratedButton .buttonMiddleRight { - width: 1px; - background: #444; -} -.mosaic-DecoratedButton .buttonTopLeftInner, -.mosaic-DecoratedButton .buttonTopRightInner, -.mosaic-DecoratedButton .buttonBottomLeftInner, -.mosaic-DecoratedButton .buttonBottomRightInner { - width: 1px; - height: 1px; -} -.mosaic-DecoratedButton .buttonMiddleCenterInner { - width: 100%; - height: 100%; - background: #0ff; -} - -/*** ComboBox ***/ - -.mosaic-ComboBox { - border: 1px inset #ccc; - background: url("images/hborder.png") repeat-x 0px -27px; -} - -.mosaic-ComboBox input { - border: 0px; - text-align: middle; -} -.mosaic-ComboBox button { - width: 17px !important; - border: 0px; - border-left: 1px solid #ccc; - padding: 0px; - background-position: center center; - background-repeat: no-repeat; - background-image: url(images/combobox/arrow-down.png); -} - -/*** ToolButton ***/ - -.mosaic-ToolButton { - margin: 0px; - padding: 0px; - border: 0px; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.mosaic-ToolButton .mosaic-Button { - margin: 0; - padding: 3px 5px; - text-decoration: none; - font-size: small; - cursor: pointer; - cursor: hand; - background: url("images/hborder.png") repeat-x 0px -27px; - border: 1px outset #ccc; -} -.mosaic-ToolButton .mosaic-Button:active { - border: 1px inset #ccc; -} -.mosaic-ToolButton .mosaic-Button:hover { - border-color: #9cf #69e #69e #7af; -} -.mosaic-ToolButton .mosaic-Button[disabled] { - cursor: default; - color: #888; -} -.mosaic-ToolButton .mosaic-Button[disabled]:hover { - border: 1px outset #ccc; -} -.mosaic-ToolButton .mosaic-Button { - background: none; -} -.mosaic-ToolButton .mosaic-Menu-Button, -.mosaic-ToolButton .mosaic-Split-Button { - padding-right: 20px; - background-position: right center; - background-repeat: no-repeat; -} -.mosaic-ToolButton .mosaic-Menu-Button { - background-image: url(images/button/menu-button-arrow.png); -} -.mosaic-ToolButton .mosaic-Split-Button { - background-image: url(images/button/split-button-arrow.png); -} -.mosaic-ToolButton .mosaic-Split-Button-focus { - background-image: url(split-button-arrow-focus.png); -} -.mosaic-ToolButton .mosaic-Split-Button-hover { - background-image: url(images/button/split-button-arrow-hover.png); -} -.mosaic-ToolButton .mosaic-Split-Button-activeoption { - background-image: url(images/button/split-button-arrow-active.png); -} - -/* Checked state */ - -.mosaic-ToolButton .mosaic-Checkbox-Button-checked { - border: 1px inset #ccc; - background-color: #ccc; -} - -/* Disabled state */ - -.mosaic-ToolButton .mosaic-Menu-Button-disabled { - background-image: url(images/button/menu-button-arrow-disabled.png); -} - -.mosaic-ToolButton .mosaic-Split-Button-disabled { - background-image: url(images/button/split-button-arrow-disabled.png); -} - -.mosaic-ToolButton .mosaic-Checkbox-Button-checked[disabled] { - border: 1px inset #ccc; -} - -/*** Caption ***/ - -.mosaic-Caption { - background: #e3e8f3 url(images/hborder.png) repeat-x 0px -2003px; - border-bottom: 1px solid #bbbbbb; -} -.mosaic-Caption-iconBoxLeft { - padding: 0px 0px 0px 2px; -} -.mosaic-Caption-iconBoxRight { - padding: 0px 2px 0px 0px; -} -.mosaic-Caption-text { - padding: 4px 4px 4px 4px; - text-align: left !important; - font-weight: bold; - white-space: nowrap; - overflow: hidden; -} - -/*** DropDownPanel ***/ - -.mosaic-DropDownPanel { - -} - -.mosaic-DropDownPanel .mosaic-ComboBoxList { - background: white; - border: none; - margin: 0px; - padding: 0px; -} - -.mosaic-DropDownPanel .gwt-ScrollTable, -.mosaic-DropDownPanel .mosaic-ColumnWidget, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable { - border-color: #aaa; - border-style: solid; - border-width: 1px 0px 1px 1px; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .headerWrapper, -.mosaic-DropDownPanel .mosaic-ColumnWidget .headerWrapper, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .headerWrapper { - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .footerWrapper, -.mosaic-DropDownPanel .mosaic-ColumnWidget .footerWrapper, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .footerWrapper { - border-top: 1px solid #aaa; - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable td, -.mosaic-DropDownPanel .gwt-ScrollTable .headerTable td, -.mosaic-DropDownPanel .gwt-ScrollTable .footerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .headerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .footerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .headerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .footerTable td { - border-color: #aaa; - border-style: solid; - border-width: 0px 0px 0px 0px; - white-space: nowrap; - overflow: hidden; - padding: 1px 3px; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .headerTable td, -.mosaic-DropDownPanel .gwt-ScrollTable .footerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .headerTable td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .footerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .headerTable td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .footerTable td { - color: #fff; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.hovering, -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.highlighted { - background: #C3D9FF; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.hovering, -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.highlighted, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.hovering, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.highlighted { - /*background: #FFFFAA;*/ - cursor: hand; - cursor: pointer; -} - -.mosaic-DropDownPanel .gwt-ScrollTable .dataTable tr.selected td, -.mosaic-DropDownPanel .mosaic-ColumnWidget .dataTable tr.selected td, -.mosaic-DropDownPanel .mosaic-ScrollTreeTable .dataTable tr.selected td { - background: #7AA5D6; -} - -/*** WindowPanel ***/ - -.mosaic-WindowPanel { -} -.mosaic-WindowPanel .mosaic-CaptionLayoutPanel .dragdrop-handle { - cursor: move; - user-select: none; - -khtml-user-select: none; - -moz-user-select: none; -} -.mosaic-WindowPanel .mosaic-CaptionLayoutPanel { - padding: 0px; - margin: 0px; - - /* debug */ - /*border: 1px solid #00f;*/ -} -.mosaic-WindowPanel .Body { - background: white; -} -.mosaic-MessageBox .Body { - background: none; -} -.mosaic-WindowPanel .Footer { -} -.mosaic-WindowPanel .popupMiddleCenter { - padding: 0px; - margin: 0px; -} -.mosaic-WindowPanel .Resize-nw { - cursor: nw-resize; -} -.mosaic-WindowPanel .Resize-n { - cursor: n-resize; -} -.mosaic-WindowPanel .Resize-ne { - cursor: ne-resize; -} -.mosaic-WindowPanel .Resize-e { - cursor: e-resize; -} -.mosaic-WindowPanel .Resize-se { - cursor: se-resize; -} -.mosaic-WindowPanel .Resize-s { - cursor: s-resize; -} -.mosaic-WindowPanel .Resize-sw { - cursor: sw-resize; -} -.mosaic-WindowPanel .Resize-w { - cursor: w-resize; -} - -/*** GlassPanel ***/ - -.mosaic-GlassPanel-loading, -.gwt-GlassPanel { - /* Override glass panel color to be `green` */ - background-color: #000 !important; - background-repeat: repeat; - - /* Override glass panel to 10% opacity (= 90% transparency) */ - filter: alpha(opacity = 10) !important; /* IE */ - opacity: 0.1 !important; /* non-IE */ - - /* - NOTE: Please do NOT use either CSS 'width' or 'height' here, as - this would defeat much of the effort that went into GlassPanel - in order to get it to work consistently in a variety of - circumstances. Specifically, please resist the urge to use - 'width/height: 100%' or similar constructs. - */ -} -.mosaic-GlassPanel-invisible { - /* Override glass panel color to be `green` */ - background-color: #000 !important; - background-repeat: repeat; - - /* Override glass panel to 0% opacity (= 100% transparency) */ - filter: alpha(opacity = 0) !important; /* IE */ - opacity: 0.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-default, -.mosaic-GlassPanel-blue_ridge { - background-image: url("images/glasspanel/blue_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 33) !important; /* IE */ - opacity: 0.3 !important; /* non-IE */ -} -.mosaic-GlassPanel-countertop { - background-image: url("images/glasspanel/countertop.png"); - background-repeat: repeat; - - filter: alpha(opacity = 40) !important; /* IE */ - opacity: 0.4 !important; /* non-IE */ -} -.mosaic-GlassPanel-fish { - background-image: url("images/glasspanel/fish.png"); - background-repeat: repeat; -} -.mosaic-GlassPanel-fleur_de_lis { - background-image: url("images/glasspanel/fleur_de_lis.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-floral { - background-image: url("images/glasspanel/floral.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-moss_ridge { - background-image: url("images/glasspanel/moss_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-numbers { - background-image: url("images/glasspanel/numbers.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-sky_ridge { - background-image: url("images/glasspanel/sky_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} -.mosaic-GlassPanel-snow_ridge { - background-image: url("images/glasspanel/snow_ridge.png"); - background-repeat: repeat; - - filter: alpha(opacity = 100) !important; /* IE */ - opacity: 1.0 !important; /* non-IE */ -} - -/*** ImageButton ***/ - -.mosaic-ImageButton { - cursor: pointer; -} - -.mosaic-ImageButton img { - display: block; - - /* - * Unfortunately, in IE, border-color: transparent is rendered as black. - * We get around the border on hover displacement of content by adjusting - * the margin/padding at the same time. - */ - border: 0px solid transparent; - margin: 1px; -} -.mosaic-ImageButton img:hover { - /* - * Unfortunately, in IE, border-color: transparent is rendered as black. - * We get around the border on hover displacement of content by adjusting - * the margin/padding at the same time. - */ - border: 1px solid #4d4d4d; - margin: 0px; - - background-color: #ccc; -} -.mosaic-ImageButton img:active { - background-color: #dcc; -} - -/*** InfoPanel ***/ - -.mosaic-InfoPanel { -} -.mosaic-InfoPanel-panel { -} -.mosaic-InfoPanel-caption { - font-weight: bold; - display: block; -} -.mosaic-InfoPanel-description { -} - -/*** TabLayoutPanel ***/ - -.mosaic-TabLayoutPanel { -} - -.mosaic-TabLayoutPanelBottom { -/* - border-color: #92c1f0; - border-style: solid; - border-width: 3px 2px 2px 2px; -*/ -} - -/*** ScrollTabBar ***/ - -.mosaic-ScrollTabBar { -} - -.mosaic-ScrollTabBar .mosaic-ScrollTabBar-NavBar { - margin: 0px 2px !important; -} - -.mosaic-ScrollTabBar button { - padding: 0px !important; - margin: 0px 0px 2px 0px !important; - border: 1px solid #ccc; -} - -/*** ScrollTable ***/ - -.gwt-ScrollTable, -.mosaic-ColumnWidget, -.mosaic-ScrollTreeTable { - border-color: #aaa; - border-style: solid; - border-width: 1px 0px 1px 1px; -} - -.gwt-ScrollTable .headerWrapper, -.mosaic-ColumnWidget .headerWrapper, -.mosaic-ScrollTreeTable .headerWrapper { - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.gwt-ScrollTable .footerWrapper, -.mosaic-ColumnWidget .footerWrapper, -.mosaic-ScrollTreeTable .footerWrapper { - border-top: 1px solid #aaa; - background: #8bd url(images/scrolltable/bg_header_gradient.gif) repeat-x bottom left; -} - -.gwt-ScrollTable .dataTable td, -.gwt-ScrollTable .headerTable td, -.gwt-ScrollTable .footerTable td, -.mosaic-ColumnWidget .dataTable td, -.mosaic-ColumnWidget .headerTable td, -.mosaic-ColumnWidget .footerTable td, -.mosaic-ScrollTreeTable .dataTable td, -.mosaic-ScrollTreeTable .headerTable td, -.mosaic-ScrollTreeTable .footerTable td { - border-color: #aaa; - border-style: solid; - border-width: 0px 1px 1px 0px; - white-space: nowrap; - overflow: hidden; -} - -.gwt-ScrollTable .headerTable td, -.gwt-ScrollTable .footerTable td, -.mosaic-ColumnWidget .headerTable td, -.mosaic-ColumnWidget .footerTable td, -.mosaic-ScrollTreeTable .headerTable td, -.mosaic-ScrollTreeTable .footerTable td { - color: #fff; -} - -.gwt-ScrollTable .dataTable tr.highlighted, /* gen2 */ -.gwt-ScrollTable .dataTable tr.hovering, -.mosaic-ColumnWidget .dataTable tr.hovering, -.mosaic-ScrollTreeTable .dataTable tr.hovering { - background: #C3D9FF; -} - -.gwt-ScrollTable .dataTable td.highlighted, /* gen2 */ -.gwt-ScrollTable .dataTable td.hovering, -.mosaic-ColumnWidget .dataTable td.hovering, -.mosaic-ScrollTreeTable .dataTable td.hovering { - background: #FFFFAA; - cursor: hand; - cursor: pointer; -} - -.gwt-ScrollTable .dataTable tr.selected, -.mosaic-ColumnWidget .dataTable tr.selected, -.mosaic-ScrollTreeTable .dataTable tr.selected { - background: #7AA5D6; -} - -.gwt-ScrollTable .pagingOptions { - background: #e8eef7; - border-top: 1px solid #aaa; - border-right: 1px solid #aaa; - padding: 1px 0px; -} - -.gwt-ScrollTable .pagingOptions .errorMessage { - color: red; -} - -.gwt-PagingOptions .gwt-Image { - cursor: hand; - cursor: pointer; -} - -.gwt-InlineCellEditor { - border: 3px solid #7AA5D6; - padding: 4px; - background: white; - overflow: auto; -} -.gwt-InlineCellEditor .accept { - cursor: pointer; - cursor: hand; -} -.gwt-InlineCellEditor .cancel { - cursor: pointer; - cursor: hand; -} - -/*** CaptionLayoutPanel ***/ - -.mosaic-CaptionLayoutPanel { - padding: 0px; - margin: 0px; - - /* debug */ - /*border: 1px dotted #00f;*/ -} -.mosaic-CaptionLayoutPanel .Body { - - /* debug */ - /*border: 1px dotted #0f0;*/ -} - -/** DisclosureLayoutPanel */ - -.mosaic-DisclosureLayoutPanel { -} -.mosaic-DisclosureLayoutPanel-open { -} -.mosaic-DisclosureLayoutPanel-close { -} -.mosaic-DisclosureLayoutPanel .mosaic-Caption { - background: none; - border: none; -} -.mosaic-DisclosureLayoutPanel .mosaic-Caption-text a { - text-decoration: none; /* Remove underline from header */ - color: black; - cursor: pointer; - cursor: hand; - padding: 1px; -} -.mosaic-DisclosureLayoutPanel .Body { - border-left: 3px solid #e3e3e3; - padding: 4px 0px 4px 8px; - margin-left: 6px; -} - -/*** LayoutPanel ***/ - -.mosaic-LayoutPanel { - padding: 5px; - margin: 0px; - - /* debug */ - /* - margin: 1px; - border: 1px dotted #f00; - */ -} -.mosaic-LayoutPanel-FormLayout .mosaic-LayoutPanel { - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; -} -.mosaic-LayoutPanel-FillLayout { - padding: 0px; -} -.mosaic-LayoutPanel-BoxLayout { -} -.mosaic-LayoutPanel-BorderLayout { -} -.mosaic-LayoutPanel-BorderLayout .NorthCollapsedImageButton { - border: 1px solid #d0e4f6; - border-top: none; - height: 18px !important; - padding: 0px 1px 1px 1px; - overflow: hidden; -} -.mosaic-LayoutPanel-BorderLayout .SouthCollapsedImageButton { - border: 1px solid #d0e4f6; - border-bottom: none; - height: 18px !important; - padding: 1px 1px 0px 1px; - overflow: hidden; -} -/* TODO -html>body .mosaic-LayoutPanel-BorderLayout .NorthCollapsedImageButton img, -html>body .mosaic-LayoutPanel-BorderLayout .SouthCollapsedImageButton img { - position: absolute; - top: 0px; - right: 0px; -} -*/ -.mosaic-LayoutPanel-BorderLayout .WestCollapsedImageButton { - border: 1px solid #d0e4f6; - border-left: none; - - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; - width: 18px !important; - - padding: 1px 1px 1px 0px; - overflow: hidden; -} -.mosaic-LayoutPanel-BorderLayout .EastCollapsedImageButton { - border: 1px solid #d0e4f6; - border-right: none; - - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; - width: 18px !important; - - padding: 1px 0px 1px 1px; - overflow: hidden; -} -.mosaic-LayoutPanel-BorderLayout .NorthSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: n-resize; -} -.mosaic-LayoutPanel-BorderLayout .NorthSplitBar:hover { - border-top: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .NorthSplitBar-Movable { - background: #000; - cursor: n-resize; -} -.mosaic-LayoutPanel-BorderLayout .SouthSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: s-resize; -} -.mosaic-LayoutPanel-BorderLayout .SouthSplitBar:hover { - border-bottom: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .SouthSplitBar-Movable { - background: #000; - cursor: s-resize; -} -.mosaic-LayoutPanel-BorderLayout .WestSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: w-resize; -} -.mosaic-LayoutPanel-BorderLayout .WestSplitBar:hover { - border-left: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .WestSplitBar-Movable { - background: #000; - cursor: w-resize; -} -.mosaic-LayoutPanel-BorderLayout .EastSplitBar { - overflow: hidden; /* required by IE6 */ - background: #fff; - cursor: w-resize; -} -.mosaic-LayoutPanel-BorderLayout .EastSplitBar:hover { - border-right: 1px dashed #888; -} -.mosaic-LayoutPanel-BorderLayout .EastSplitBar-Movable { - background: #000; -} - -/*** ToolBar ***/ - -.mosaic-ToolBar { - cursor: default; - padding: 3px; - background: url("images/hborder.png") repeat-x 0px -27px; -} -.mosaic-ToolBar .mosaic-ToolButton { - background: none; - white-space: nowrap; -} -.mosaic-ToolBar .mosaic-ToolBarSeparator { - border-left: 1px solid #ccc; - background: white; - - /* required by Safari to handle the 'width' attribute */ - position: absolute !important; - width: 1px; - - padding: 0px; - margin: 5px 3px; -} - -/*** WidgetWrapper ***/ - -.mosaic-WidgetWrapper { - /* debug */ - /*border: 1px solid;*/ -} - -/*** DateTimePicker ***/ - -.mosaic-DateTimePicker { - border: none; - padding: 0px; - margin: 0px; - cursor: default; - background: #dbe6de; -} - -/*** mosaic-DecoratedBottomTabBar ***/ - -.mosaic-DecoratedBottomTabBar { -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarFirst { - width: 5px; /* first tab distance from the left */ -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarRest { -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem { - border-collapse: collapse; - margin-left: 6px; -} -.mosaic-DecoratedBottomTabBar .tabBottomCenter { - padding: 0px; - background: #d0e4f6; -} -.mosaic-DecoratedBottomTabBar .tabBottomLeft, -.mosaic-DecoratedBottomTabBar .tabBottomRight { - padding: 0px; - zoom: 1; -} -.mosaic-DecoratedBottomTabBar .tabBottomLeftInner, -.mosaic-DecoratedBottomTabBar .tabBottomRightInner { - width: 6px; - height: 6px; -} -html>body .mosaic-DecoratedBottomTabBar .tabBottomLeft { - background: url(images/corner2.png) no-repeat 0px -6px; -} -html>body .mosaic-DecoratedBottomTabBar .tabBottomRight { - background: url(images/corner2.png) no-repeat -6px -6px; -} -* html .mosaic-DecoratedBottomTabBar .tabBottomLeftInner { - width: 5px; - height: 61px; - margin-top: -55px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -* html .mosaic-DecoratedBottomTabBar .tabBottomRightInner { - width: 12px; - height: 61px; - margin-top: -55px; - margin-left: -6px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -.mosaic-DecoratedBottomTabBar .tabMiddleLeft, -.mosaic-DecoratedBottomTabBar .tabMiddleRight { - width: 6px; - padding: 0px; - background: #d0e4f6; -} -.mosaic-DecoratedBottomTabBar .tabMiddleLeftInner, -.mosaic-DecoratedBottomTabBar .tabMiddleRightInner { - width: 1px; - height: 1px; -} -.mosaic-DecoratedBottomTabBar .tabMiddleCenter { - padding: 0px 4px 2px 4px; - cursor: pointer; - cursor: hand; - color: black; - font-weight: bold; - text-align: center; - background: #d0e4f6; -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomCenter { - background: #92c1f0; -} -html>body .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomLeft { - background-position: 0px 0px; -} -html>body .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomRight { - background-position: -6px 0px; -} -* html .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomLeftInner { - width: 5px; - height: 67px; - margin-top: -61px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -* html .mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabBottomRightInner { - width: 12px; - height: 67px; - margin-top: -61px; - margin-left: -6px; - overflow: hidden; - filter: progid:DXImageTransform.Microsoft.AlphaImageLoader(src='gwt/standard/images/corner2.png',sizingMethod='crop'); -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabMiddleLeft, -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabMiddleRight { - background: #92c1f0; -} -.mosaic-DecoratedBottomTabBar .gwt-TabBarItem-selected .tabMiddleCenter { - cursor: default; - background: #92c1f0; -} - -/*** StackLayoutPanel ***/ - -.mosaic-StackLayoutPanel { - /*border: 1px solid #bbbbbb;*/ -} -.mosaic-StackLayoutPanel .mosaic-StackLayoutPanelItem { - cursor: pointer; - cursor: hand; - background: #d3def6 url(images/hborder.png) repeat-x 0px -989px; -} -.mosaic-StackLayoutPanel .mosaic-StackLayoutPanelItem-selected { - cursor: pointer; - cursor: hand; -} -.mosaic-StackLayoutPanel .mosaic-StackLayoutPanelContent { - /*border: 1px solid #bbbbbb;*/ - /*border-bottom: 0px;*/ -} - -/*** FastTree ***/ - -/* --- Structural CSS --- */ - -.gwt-FastTree { - -moz-user-select: none; - position: relative; -} -.gwt-FastTreeItem { - min-width: 18px; -} -.gwt-FastTreeItem .open,.gwt-FastTreeItem .closed { - width: 100%; -} -.gwt-FastTree .selection-bar { - font-size: 0; - position: absolute; - left: 0; - width: 1px; - z-index: -1; - outline: none; - -moz-outline: none; -} -.gwt-FastTree .selection-bar :focus { - outline: none -} - -/* --- Visual styling --- */ - -.gwt-FastTree .open .treeItemContent,.gwt-FastTree .closed .treeItemContent { - margin-left: 18px; -} -.gwt-FastTreeItem-leaf { - display: block; - padding: 2px; - padding-left: 18px; -} -.gwt-FastTreeItem .children { - margin-left: 10px; -} -.gwt-FastTreeItem .open,.gwt-FastTreeItem .closed,.gwt-FastTreeItem-leaf { - color: black; -} -.gwt-FastTreeItem .open { - background: url('images/fasttree/treeOpen.gif') no-repeat center left; -} -.gwt-FastTreeItem .closed { - background: url('images/fasttree/treeClosed.gif') no-repeat center left; -} -.gwt-FastTreeItem-loading .open { - background: url('images/fasttree/treeLoading.gif') no-repeat center left; -} -.gwt-FastTreeItem-leaf { -} -.gwt-FastTree .treeItemContent { - padding: 2px; -} -.gwt-FastTree .selected .treeItemContent { - background: #e3e8f3 url('images/fasttree/selectionBar.gif') repeat-x; -} - -/*** FastTreeTable ***/ - -/* --- Structural CSS --- */ - -.gwt-FastTreeTable { - -moz-user-select: none; - position: relative; -} -.gwt-FastTreeTable td { - white-space: nowrap; -} -.gwt-FastTreeTableItem { - min-width: 18px; -} -.gwt-FastTreeTableItem .open,.gwt-FastTreeTableItem .closed { - width: 100%; -} -.gwt-FastTreeTable .selection-bar { - font-size: 0; - position: absolute; - left: 0; - width: 1px; - z-index: -1; - outline: none; - -moz-outline: none; -} -.gwt-FastTreeTable .selection-bar :focus { - outline: none -} - -/* --- Visual styling --- */ - -.gwt-FastTreeTable .open .treeItemContent,.gwt-FastTreeTable .closed .treeItemContent { - margin-left: 18px; -} -.gwt-FastTreeTableItem-leaf { - display: block; - padding: 2px; - padding-left: 18px; -} -.gwt-FastTreeTableItem-children { - margin-left: 10px; -} -.gwt-FastTreeTableItem .open,.gwt-FastTreeTableItem .closed,.gwt-FastTreeTableItem-leaf { - color: black; -} -.gwt-FastTreeTableItem .open { - background: url('images/fasttree/treeOpen.gif') no-repeat center left; -} -.gwt-FastTreeTableItem .closed { - background: url('images/fasttree/treeClosed.gif') no-repeat center left; -} -.gwt-FastTreeTableItem-loading .open { - background: url('images/fasttree/treeLoading.gif') no-repeat center left; -} -.gwt-FastTreeTableItem-leaf { -} -.gwt-FastTreeTable .treeItemContent { - padding: 2px; -} -/* -.gwt-FastTreeTable .selected .treeItemContent { - background: #e3e8f3 url('images/fasttree/selectionBar.gif') repeat-x; -} -*/ - -/*** gwt-MenuItem ***/ - -.gwt-MenuBar .gwt-MenuItem-disabled { - cursor: default; - background: none; - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} - -/*** gwt-MenuBarPopup ***/ - -.gwt-MenuBarPopup { - z-index: 2147483647; /* Integer.MAX_VALUE */ -} - -/*** gwt-InlineCellEditor **/ - -.gwt-InlineCellEditor { - z-index: 2147483647; /* Integer.MAX_VALUE */ -} - -/*** gwt-PopupPanel **/ -.gwt-PopupPanel, -.gwt-DecoratedPopupPanel { - z-index: 2147483647; /* Integer.MAX_VALUE */ -} - -/*** mosaic-FormSeparator **/ - -.mosaic-FormSeparator { - font-weight: bold; -} - -.mosaic-FormSeparator div { - border: 1px solid #4d4d4d; -} - -/*** Basic Button with Images ***/ - -.gwt-Button[disabled] table, -.gwt-Button[disabled] img { - opacity: .5; - zoom: 1; - filter: alpha(opacity=40); -} - -.gwt-Button { - white-space: nowrap; -} - -/*** GWT Incubator SliderBar ***/ - -.gwt-SliderBar-shell { - height: 34pt; - width: 256px; -} - -.gwt-SliderBar-shell .gwt-SliderBar-line { - border: 1px solid #4d4d4d; - background-color: #cdcdcd; - height: 4px; - width: 95%; - top: 22pt; - overflow: hidden; -} - -.gwt-SliderBar-shell .gwt-SliderBar-line-disabled { - border: 1px solid #8d8d8d; -} - -.gwt-SliderBar-shell .gwt-SliderBar-knob { - top: 14pt; - z-index: 1; - cursor: pointer; -} - -.gwt-SliderBar-shell .gwt-SliderBar-tick { - top: 16pt; - width: 1px; - height: 6pt; - background: #4d4d4d; - overflow: hidden; -} - -.gwt-SliderBar-shell .gwt-SliderBar-tick-disabled { - background: #8d8d8d; -} - -.gwt-SliderBar-shell .gwt-SliderBar-label { - top: 2pt; - font-size: 8pt; - cursor: default; -} - -.gwt-SliderBar-shell-focused { - -} - -.gwt-SliderBar-shell .gwt-SliderBar-line-sliding { - cursor: pointer; -} - -/*** GWT Incubator ProgressBar ***/ - -.gwt-ProgressBar-shell { - border: 1px solid #4d4d4d; - background-color: #AAAAAA; - height: 1em; - width: 256px; -} -.gwt-ProgressBar-shell .gwt-ProgressBar-bar { - background-color: #67A7E3; -} -.gwt-ProgressBar-shell .gwt-ProgressBar-text { - padding: 0px; - margin: 0px; - color: white; -} - -/*** GWT Incubator Value Spinner ***/ - -.gwt-ValueSpinner .arrows { - width: 17px; - height: 18px; - margin-left: 1px; -} - -.gwt-ValueSpinner .textBox { - border: 0px; - text-align: right; - font-family: sans-serif; - font-weight: bold; - border: 1px solid #7F9DB9; -} - -.gwt-TimePicker { - padding: 1px; -} - -.gwt-TimePicker .textBox { - border: 0px; - width: 22px; - text-align: center; - font-family: sans-serif; - font-weight: bold; - font-size: 11px; - color: #506374; - border: 1px solid #7F9DB9; - background: url('images/valuespinner/bg_textbox.png') repeat-x; -} - -.gwt-VolumeSlider .gwt-ProgressBar-shell { - border: 1px solid #faf9f7; - border-right: 1px solid #848280; - border-bottom: 1px solid #848280; - background-color: #AAAAAA; - width: 50%; - height: 12pt; -} - -.gwt-VolumeSlider .gwt-ProgressBar-shell .gwt-ProgressBar-bar { - background-color: #67A7E3; -} - -.gwt-VolumeSlider .gwt-ProgressBar-shell .gwt-ProgressBar-text { - padding: 0px; - margin: 0px; - color: white; -} - -.gwt-VolumeSlider .decreaseArrow { - margin: 4px; -} - -.gwt-VolumeSlider .increaseArrow { - margin: 4px; -} diff --git a/public/jsme_bak/hosted.html b/public/jsme_bak/hosted.html deleted file mode 100644 index 48b87f3..0000000 --- a/public/jsme_bak/hosted.html +++ /dev/null @@ -1,365 +0,0 @@ -<html> -<head><script> -var $wnd = parent; -var $doc = $wnd.document; -var $moduleName, $moduleBase, $entry -,$stats = $wnd.__gwtStatsEvent ? function(a) {return $wnd.__gwtStatsEvent(a);} : null -,$sessionId = $wnd.__gwtStatsSessionId ? $wnd.__gwtStatsSessionId : null; -// Lightweight metrics -if ($stats) { - var moduleFuncName = location.search.substr(1); - var moduleFunc = $wnd[moduleFuncName]; - var moduleName = moduleFunc ? moduleFunc.moduleName : "unknown"; - $stats({moduleName:moduleName,sessionId:$sessionId,subSystem:'startup',evtGroup:'moduleStartup',millis:(new Date()).getTime(),type:'moduleEvalStart'}); -} -var $hostedHtmlVersion="2.1"; - -var gwtOnLoad; -var $hosted = "localhost:9997"; - -function loadIframe(url) { - var topDoc = window.top.document; - - // create an iframe - var iframeDiv = topDoc.createElement("div"); - iframeDiv.innerHTML = "<iframe scrolling=no frameborder=0 src='" + url + "'>"; - var iframe = iframeDiv.firstChild; - - // mess with the iframe style a little - var iframeStyle = iframe.style; - iframeStyle.position = "absolute"; - iframeStyle.borderWidth = "0"; - iframeStyle.left = "0"; - iframeStyle.top = "0"; - iframeStyle.width = "100%"; - iframeStyle.backgroundColor = "#ffffff"; - iframeStyle.zIndex = "1"; - iframeStyle.height = "100%"; - - // update the top window's document's body's style - var hostBodyStyle = window.top.document.body.style; - hostBodyStyle.margin = "0"; - hostBodyStyle.height = iframeStyle.height; - hostBodyStyle.overflow = "hidden"; - - // insert the iframe - topDoc.body.insertBefore(iframe, topDoc.body.firstChild); -} - -var ua = navigator.userAgent.toLowerCase(); -if (ua.indexOf("gecko") != -1) { - // install eval wrapper on FF to avoid EvalError problem - var __eval = window.eval; - window.eval = function(s) { - return __eval(s); - } -} -if (ua.indexOf("chrome") != -1) { - // work around __gwt_ObjectId appearing in JS objects - var hop = Object.prototype.hasOwnProperty; - Object.prototype.hasOwnProperty = function(prop) { - return prop != "__gwt_ObjectId" && hop.call(this, prop); - }; - // do the same in our parent as well -- see issue 4486 - // NOTE: this will have to be changed when we support non-iframe-based DevMode - var hop2 = parent.Object.prototype.hasOwnProperty; - parent.Object.prototype.hasOwnProperty = function(prop) { - return prop != "__gwt_ObjectId" && hop2.call(this, prop); - }; -} - -// wrapper to call JS methods, which we need both to be able to supply a -// different this for method lookup and to get the exception back -function __gwt_jsInvoke(thisObj, methodName) { - try { - var args = Array.prototype.slice.call(arguments, 2); - return [0, window[methodName].apply(thisObj, args)]; - } catch (e) { - return [1, e]; - } -} - -var __gwt_javaInvokes = []; -function __gwt_makeJavaInvoke(argCount) { - return __gwt_javaInvokes[argCount] || __gwt_doMakeJavaInvoke(argCount); -} - -function __gwt_doMakeJavaInvoke(argCount) { - // IE6 won't eval() anonymous functions except as r-values - var argList = ""; - for (var i = 0; i < argCount; i++) { - argList += ",p" + i; - } - var argListNoComma = argList.substring(1); - - return eval( - "__gwt_javaInvokes[" + argCount + "] =\n" + - " function(thisObj, dispId" + argList + ") {\n" + - " var result = __static(dispId, thisObj" + argList + ");\n" + - " if (result[0]) {\n" + - " throw result[1];\n" + - " } else {\n" + - " return result[1];\n" + - " }\n" + - " }\n" - ); -} - -/* - * This is used to create tear-offs of Java methods. Each function corresponds - * to exactly one dispId, and also embeds the argument count. We get the "this" - * value from the context in which the function is being executed. - * Function-object identity is preserved by caching in a sparse array. - */ -var __gwt_tearOffs = []; -var __gwt_tearOffGenerators = []; -function __gwt_makeTearOff(proxy, dispId, argCount) { - return __gwt_tearOffs[dispId] || __gwt_doMakeTearOff(dispId, argCount); -} - -function __gwt_doMakeTearOff(dispId, argCount) { - return __gwt_tearOffs[dispId] = - (__gwt_tearOffGenerators[argCount] || __gwt_doMakeTearOffGenerator(argCount))(dispId); -} - -function __gwt_doMakeTearOffGenerator(argCount) { - // IE6 won't eval() anonymous functions except as r-values - var argList = ""; - for (var i = 0; i < argCount; i++) { - argList += ",p" + i; - } - var argListNoComma = argList.substring(1); - - return eval( - "__gwt_tearOffGenerators[" + argCount + "] =\n" + - " function(dispId) {\n" + - " return function(" + argListNoComma + ") {\n" + - " var result = __static(dispId, this" + argList + ");\n" + - " if (result[0]) {\n" + - " throw result[1];\n" + - " } else {\n" + - " return result[1];\n" + - " }\n" + - " }\n" + - " }\n" - ); -} - -function __gwt_makeResult(isException, result) { - return [isException, result]; -} - -function __gwt_disconnected() { - // Prevent double-invocation. - window.__gwt_disconnected = new Function(); - // Do it in a timeout so we can be sure we have a clean stack. - window.setTimeout(__gwt_disconnected_impl, 1); -} - -function __gwt_disconnected_impl() { - __gwt_displayGlassMessage('GWT Code Server Disconnected', - 'Most likely, you closed GWT Development Mode. Or, you might have lost ' - + 'network connectivity. To fix this, try restarting GWT Development Mode and ' - + 'refresh this page.'); -} - -// Keep track of z-index to allow layering of multiple glass messages -var __gwt_glassMessageZIndex = 2147483647; - -// Note this method is also used by ModuleSpace.java -function __gwt_displayGlassMessage(summary, details) { - var topWin = window.top; - var topDoc = topWin.document; - var outer = topDoc.createElement("div"); - // Do not insert whitespace or outer.firstChild will get a text node. - outer.innerHTML = - '<div style="position:absolute;z-index:' + __gwt_glassMessageZIndex-- + - ';left:50px;top:50px;width:600px;color:#FFF;font-family:verdana;text-align:left;">' + - '<div style="font-size:30px;font-weight:bold;">' + summary + '</div>' + - '<div style="font-size:15px;">' + details + '</div>' + - '</div>' + - '<div style="position:absolute;z-index:' + __gwt_glassMessageZIndex-- + - ';left:0px;top:0px;right:0px;bottom:0px;filter:alpha(opacity=60);opacity:0.6;background-color:#000;"></div>' - ; - topDoc.body.appendChild(outer); - var glass = outer.firstChild; - var glassStyle = glass.style; - - // Scroll to the top and remove scrollbars. - topWin.scrollTo(0, 0); - if (topDoc.compatMode == "BackCompat") { - topDoc.body.style["overflow"] = "hidden"; - } else { - topDoc.documentElement.style["overflow"] = "hidden"; - } - - // Steal focus. - glass.focus(); - - if ((navigator.userAgent.indexOf("MSIE") >= 0) && (topDoc.compatMode == "BackCompat")) { - // IE quirks mode doesn't support right/bottom, but does support this. - glassStyle.width = "125%"; - glassStyle.height = "100%"; - } else if (navigator.userAgent.indexOf("MSIE 6") >= 0) { - // IE6 doesn't have a real standards mode, so we have to use hacks. - glassStyle.width = "125%"; // Get past scroll bar area. - // Nasty CSS; onresize would be better but the outer window won't let us add a listener IE. - glassStyle.setExpression("height", "document.documentElement.clientHeight"); - } - - $doc.title = summary + " [" + $doc.title + "]"; 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fieldset#bottom{border:0;background-color:rgba(200,194,200,0.4);padding:10px;margin-bottom:5em;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset}.content fieldset#bottom input#predict{margin-left:1em}.content .predictions{background-color:rgba(200,194,200,0.4);padding:10px;text-align:justify;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset}.content .overview{background-image:url("/images/gray_jean.png");padding:12px;margin-top:1em;margin-bottom:1em;text-align:left;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset}.content .overview a:hover{color:#f76700}.content .overview caption{text-align:left}.content .overview #overview tr td{background-color:#fff;border:1px solid #dad9c7;padding-left:1em;padding-top:0.5em}.content .overview #overview tr td #compound{width:200px}.content .overview #overview tr td b.c{color:#d42200}.content .overview #overview tr td b.n{color:#5c8533}.content .overview #overview tr td .confidence{display:inline}.content .error{background-color:rgba(200,194,200,0.4);padding:15px;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(43,43,43,0.3) inset}.content .error .message{margin:2em;padding:1em;border:2px solid #f76700;background-color:#fff;color:#2b2b2b}.content #closebutton{color:#f76700;margin-left:98%}.details{width:98%;background-color:rgba(200,194,200,0.4);-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset}.details a:hover{color:#f76700}.details img{display:inline;float:left;margin:0.5em}.significant_fragments{width:98%;margin-bottom:2em;background-color:rgba(200,194,200,0.4);-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset}.significant_fragments img{display:inline;float:left;margin:0.5em}.significant_fragments table#sf1{text-align:left}.significant_fragments table#sf1 td{padding:0.2em}.descriptors{width:98%;margin-bottom:2em;background-color:rgba(200,194,200,0.4);-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset}.descriptors img{display:inline;float:left;margin:0.5em}.descriptors table#sf2{text-align:left}.descriptors table#sf2 td{padding:0.2em}.results{background-image:url("/images/gray_jean.png");overflow-x:auto;overflow-y:hidden;margin-top:2em;margin-bottom:2em;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset}.results a:hover{color:#f76700}.results .tablesorter{width:100%;text-align:left}.results .tablesorter thead{background-color:rgba(224,221,224,0.4)}.results .tablesorter thead tr th.header{background-image:url("/images/bg.gif");background-repeat:no-repeat;background-position:center left;cursor:pointer;padding-left:20px;border:1px solid #dad9c7;margin-left:-1px}.results .tablesorter thead tr th.headerSortDown{background-image:url("/images/desc.gif");background-color:rgba(200,194,200,0.4)}.results .tablesorter thead tr th.headerSortUp{background-image:url("/images/asc.gif");background-color:rgba(200,194,200,0.4)}.results .tablesorter tbody tr td{padding-left:1em;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(43,43,43,0.3) inset}.results .tablesorter tbody .compound{width:200px;padding:0.2em}.results .tablesorter tbody .n{color:#5c8533}.results .tablesorter tbody .c{color:#d42200}input#predict{border:0px;background-color:rgba(200,194,200,0.4);margin:0;padding:0}.tooltip{background-color:#fff;border:2px solid #f76700;font-size:0.5em;padding:1em;display:none;z-index:50}.footer{margin:20px 0 20px 0}.footer a{text-decoration:none;color:#000}.footer a:hover{color:#f76700} diff --git a/public/stylesheets/screen.sass b/public/stylesheets/screen.sass deleted file mode 100644 index 60355e0..0000000 --- a/public/stylesheets/screen.sass +++ /dev/null @@ -1,243 +0,0 @@ -@import compass/css3 - -$ist-color: rgba(200, 194, 200, 0.4) -$black: #2b2b2b -$orange: #f76700 -body - background-image: url("/images/gray_jean.png") - //background-color: $bg-color - overflow: scroll - font-family: sans-serif - a - text-decoration: none - font-weight: bold - color: $black - //for IE - img - border: 0 - h1 - color: $black - h2 - padding-top: 12px - //text-shadow: #FFF 1px 1px 0 - font-size: x-large - color: $orange - -.logo - top: 0 - position: fixed - background-color: #efefef - width: 100% - z-index: 40 - img - float: left - display: inline - margin-right: 1em - padding: 1em - h1 - //display: inline - width: 80% - img.ote - width: 100px - height: 50px - display: inline - float: right - -.content - background-image: url("/images/gray_jean.png") - margin-top: 6em - h1 - //margin: 0.3em - text-shadow: #FFF 1px 1px 0 - font-size: x-large - display: inline - .arrow - margin: 8px 0px 5px 20px - .back - display: inline - - fieldset#top - a#linkInsert - display: block - width: 100% - height: 2em - border: 0 - padding: 10px - background-color: $ist-color - +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset) - #appletContainer - padding: 10px - fieldset#middle - a#linkModels - display: block - width: 100% - height: 2em - border: 0 - padding: 10px - background-color: $ist-color - +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset) - #models - padding-left: 1em - #model a - display: inline - font-weight: normal - fieldset#bottom - border: 0 - background-color: $ist-color - padding: 10px - margin-bottom: 5em - +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset) - input#predict - margin-left: 1em - - - .predictions - background-color: $ist-color - padding: 10px - text-align: justify - +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset) - .overview - a:hover - color: $orange - background-image: url("/images/gray_jean.png") - padding: 12px - margin-top: 1em - margin-bottom: 1em - text-align: left - +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset) - caption - text-align: left - #overview tr td - background-color: white - border: 1px solid #dad9c7 - padding-left: 1em - padding-top: 0.5em - #compound - width: 200px - b.c - color: #D42200 - b.n - color: #5C8533 - .confidence - display: inline - .error - background-color: $ist-color - padding: 15px - +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset) - .message - margin: 2em - padding: 1em - border: 2px solid $orange - background-color: #FFFFFF - color: $black - // close button for iframe also in content class - #closebutton - color: $orange - margin-left: 98% - //padding: 0 - -.details - //height: 100% - width: 98% - background-color: $ist-color - +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba($black, 0.3) inset) - a:hover - color: $orange - img - display: inline - float: left - margin: 0.5em - -.significant_fragments - //height: 100% - width: 98% - margin-bottom: 2em - background-color: $ist-color - +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba($black, 0.3) inset) - img - display: inline - float: left - margin: 0.5em - table#sf1 - text-align: left - td - padding: 0.2em - -.descriptors - //height: 100% - width: 98% - margin-bottom: 2em - background-color: $ist-color - +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba($black, 0.3) inset) - img - display: inline - float: left - margin: 0.5em - table#sf2 - text-align: left - td - padding: 0.2em - -.results - background-image: url("/images/gray_jean.png") - overflow-x: auto - overflow-y: hidden - margin-top: 2em - margin-bottom: 2em - a:hover - color: $orange - +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba($black, 0.3) inset) - .tablesorter - width: 100% - text-align: left - thead - background-color: adjust-lightness($ist-color, 10%) - tr - th.header - background-image: url("/images/bg.gif") - background-repeat: no-repeat - background-position: center left - cursor: pointer - padding-left: 20px - border: 1px solid #dad9c7 - margin-left: -1px - th.headerSortDown - background-image: url("/images/desc.gif") - background-color: $ist-color - th.headerSortUp - background-image: url("/images/asc.gif") - background-color: $ist-color - tbody - tr td - padding-left: 1em - +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba($black, 0.3) inset) - .compound - width: 200px - padding: 0.2em - .n - color: #5C8533 - .c - color: #D42200 - -input#predict - border: 0px - background-color: $ist-color - margin: 0 - padding: 0 - -.tooltip - background-color: #fff - border: 2px solid $orange - font-size: 0.5em - padding: 1em - display: none - z-index: 50 - -.footer - margin: 20px 0 20px 0 - a - text-decoration: none - color: black - &:hover - color: $orange - diff --git a/views/layout.haml b/views/layout.haml index 6659547..05f4a70 100644 --- a/views/layout.haml +++ b/views/layout.haml @@ -4,7 +4,7 @@ %meta{'http-equiv' => 'Content-Type', :content => 'text/html; charset=UTF-8'} %title Lazar Toxicity Predictions %link{:rel=>'icon', :type=>'image/x-icon', :href=>'/images/favicon.ico'} - %link{ :href=>"/stylesheets/screen.css", :media=>"screen, projection", :rel=>"stylesheet", :type=>"text/css"} + %link{:rel=>'stylesheet', :href=>"#{'/style.css'}", :type => "text/css"} %link{ :href=>"/stylesheets/jquery-ui.css", :rel=>"stylesheet"} %link{ :href=>"/jsme/jsa.css", :rel=>"stylesheet"} %script{:src=>"/javascripts/jquery-1.8.3.min.js", :type=>"text/javascript"} diff --git a/views/style.scss b/views/style.scss new file mode 100644 index 0000000..9f03d6a --- /dev/null +++ b/views/style.scss @@ -0,0 +1,228 @@ +$ist-color: rgba(200, 194, 200, 0.4); +$black: #2b2b2b; +$orange: #f76700; + +body { + background-image: url("/images/gray_jean.png"); + overflow: scroll; + font-family: sans-serif; } + body a { + &:hover { + color: $orange; } + text-decoration: none; + font-weight: bold; + color: $black; } + body img { + border: 0; } + body h1 { + color: $black; } + body h2 { + padding-top: 12px; + font-size: x-large; + color: $orange; } + +.logo { + top: 0; + position: fixed; + background-color: #efefef; + width: 100%; + z-index: 40; } + .logo img { + float: left; + display: inline; + margin-right: 1em; + padding: 1em; } + .logo h1 { + width: 80%; } + .logo img.ote { + width: 100px; + height: 50px; + display: inline; + float: right; } + +.content { + background-image: url("/images/gray_jean.png"); + margin-top: 6em; } + .content h1 { + text-shadow: white 1px 1px 0; + font-size: x-large; + display: inline; } + .content .arrow { + margin: 8px 0px 5px 20px; } + .content .back { + display: inline; } + .content fieldset#top { + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + border: 0; + padding: 10px; + background-color: $ist-color; } + .content fieldset#top a#linkInsert { + display: block; + width: 100%; + height: 2em; } + .content fieldset#top #appletContainer { + padding: 10px; } + .content fieldset#middle { + border: 0; + padding: 10px; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + background-color: $ist-color; } + .content fieldset#middle a#linkModels { + display: block; + width: 100%; + height: 2em; } + .content fieldset#middle #models { + padding-left: 1em; } + .content fieldset#middle #model a { + display: inline; + font-weight: normal; } + .content fieldset#bottom { + border: 0; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + background-color: $ist-color; + padding: 10px; + margin-bottom: 5em; } + .content fieldset#bottom input#predict { + margin-left: 1em; } + .content .predictions { + background-color: $ist-color; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + padding: 10px; + text-align: justify; } + .content .overview { + background-image: url("/images/gray_jean.png"); + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + padding: 12px; + margin-top: 1em; + margin-bottom: 1em; + text-align: left; } + .content .overview a:hover { + color: $orange; } + .content .overview caption { + text-align: left; } + .content .overview #overview tr td { + background-color: white; + border: 1px solid #dad9c7; + padding-left: 1em; + padding-top: 0.5em; } + .content .overview #overview tr td #compound { + width: 200px; } + .content .overview #overview tr td b.c { + color: #d42200; } + .content .overview #overview tr td b.n { + color: #5c8533; } + .content .overview #overview tr td .confidence { + display: inline; } + .content .error { + background-color: $ist-color; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + padding: 15px; } + .content .error .message { + margin: 2em; + padding: 1em; + border: 2px solid $orange; + background-color: white; + color: $black; } + .content #closebutton { + color: $orange; + margin-left: 98%; } + +.details { + width: 98%; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + background-color: $ist-color; } + .details a:hover { + color: $orange; } + .details img { + display: inline; + float: left; + margin: 0.5em; } + +.significant_fragments { + width: 98%; + margin-bottom: 2em; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + background-color: $ist-color; } + .significant_fragments img { + display: inline; + float: left; + margin: 0.5em; } + .significant_fragments table#sf1 { + text-align: left; } + .significant_fragments table#sf1 td { + padding: 0.2em; } + +.descriptors { + width: 98%; + margin-bottom: 2em; + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + background-color: $ist-color; } + .descriptors img { + display: inline; + float: left; + margin: 0.5em; } + .descriptors table#sf2 { + text-align: left; } + .descriptors table#sf2 td { + padding: 0.2em; } + +.results { + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + background-image: url("/images/gray_jean.png"); + overflow-x: auto; + overflow-y: hidden; + margin-top: 2em; + margin-bottom: 2em; } + .results a:hover { + color: $orange; } + .results .tablesorter { + width: 100%; + text-align: left; } + .results .tablesorter thead { + background-color: $ist-color; } + .results .tablesorter thead tr th.header { + background-image: url("/images/bg.gif"); + background-repeat: no-repeat; + background-position: center left; + cursor: pointer; + padding-left: 20px; + border: 1px solid #dad9c7; + margin-left: -1px; } + .results .tablesorter thead tr th.headerSortDown { + background-image: url("/images/desc.gif"); + background-color: $ist-color; } + .results .tablesorter thead tr th.headerSortUp { + background-image: url("/images/asc.gif"); + background-color: $ist-color; } + .results .tablesorter tbody tr td { + box-shadow: (1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba($black, 0.3) inset); + padding-left: 1em; } + .results .tablesorter tbody .compound { + width: 200px; + padding: 0.2em; } + .results .tablesorter tbody .n { + color: #5c8533; } + .results .tablesorter tbody .c { + color: #d42200; } + +input#predict { + border: 0px; + background-color: $ist-color; + margin: 0; + padding: 0; } + +.tooltip { + background-color: white; + border: 2px solid $orange; + font-size: 0.5em; + padding: 1em; + display: none; + z-index: 50; } + +.footer { + margin: 20px 0 20px 0; } + .footer a { + text-decoration: none; + color: black; } + .footer a:hover { + color: $orange; } |
