text: $wnd.jsme.runAsyncCallback1('var G6="Assignment of aromatic double bonds failed";function H6(a,b){var c;c=a.A[b];return 3<=c&&4>=c||11<=c&&13>=c||19<=c&&31>=c||37<=c&&51>=c||55<=c&&84>=c||87<=c&&103>=c}function $(a,b){var c,d;c=b;for(d=0;0!=b;)0==a.c&&(a.e=(a.a[++a.d]&63)<<11,a.c=6),d|=(65536&a.e)>>16-c+b,a.e<<=1,--b,--a.c;return d}function I6(a,b,c){a.c=6;a.d=c;a.a=b;a.e=(b[a.d]&63)<<11}function J6(a,b){var c,d;c=~~(b/2);(d=a>=c)&&(a-=c);c=~~(b/32)*a/(c-a);return d?-c:c}function K6(){this.b=!0}y(24,1,{},K6);_.a=null;_.b=!1;\n_.c=0;_.d=0;_.e=0;_.f=null;function L6(a,b){var c,d,e;1==a.b.E[b]&&co(a.b,b,2);for(d=0;2>d;++d){c=D(a.b,d,b);nr(a.b,c,!1);for(e=0;e<a.b.f[c];++e)a.a[fo(a.b,c,e)]=!1}}function M6(a){var b,c,d,e,f,g,h;do{h=!1;for(c=0;c<a.b.d;++c)if(a.a[c]){f=!1;for(e=0;2>e;++e){b=!1;d=D(a.b,e,c);for(g=0;g<a.b.f[d];++g)if(c!=fo(a.b,d,g)&&a.a[fo(a.b,d,g)]){b=!0;break}if(!b){f=!0;break}}f&&(h=!0,L6(a,c))}}while(h)}function N6(){}y(29,1,{},N6);_.a=null;_.b=null;\nfunction 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n=this.b.b,q,r,u,x,v,t,F;b=-1!=n.indexOf(de)?(q=qU(n,de),r=3<=q.length&&0<q[2].length,u=2<=q.length&&0<q[1].length,x=T6(q[0]),\nv=r?T6(q[2]):T6(m),t=u?T6(q[1]):T6(m),F=m,F+=Cb,F+=NQ(1,3)+NQ(1,3),u&&(F+=NQ(1,3)),F+=ba,F+=vb+x,F+=vb+v,u&&(F+=vb+t),F):T6(n);this.b.f==(RP(),$P)?a="readSMIRKS":this.b.f==mW&&(a="readSMILES");this.a.Kc.a="SMILES conversion provided by OpenChemLib"}catch(G){if(G=Ro(G),E(G,102))c=G,d="SMILES parsing error:"+c._d();else throw G;}else if(d="Invalid or unsupported input",this.a.ad&&!this.b.d)try{var s=new K6,O=hs(this.b.b),ea;if(null==O||0==O.length)ea=null;else{var V=sU(O),Z,na,Fa,Gb,mb;if(null==V)ea=\nnull;else{I6(s,V,0);Z=$(s,4);Gb=$(s,4);8<Z&&(Z=Gb);na=$(s,Z);Fa=$(s,Gb);mb=new js(na,Fa);var R=null,Qa,Mb,T,ya,ia,ja,hb,P,Xc,Ga,jc,uc,Ka,Za,La,gb,Ja,da,ib,Ba,U,cc,X,S,Zb,Nb,md,vd,ka,Tb,nc,qa,L,xa,fd,Yc,je,Zc,Da,jb,cb,Hb,dc,Qc,vc,J,Ib,wb,Ic,nb,Jb,ob,gd,wd,nd,oa,$b,dd,sb,db,yb,tb,oc,gc,ab,od,Dd,Cc,xd,wc,$a,Dc;od=8;s.f=mb;Xq(s.f);if(!(null==V||0==V.length))if(null!=R&&0==R.length&&(R=null),I6(s,V,0),T=$(s,4),gb=$(s,4),8<T&&(od=T,T=gb),0==T)xr(s.f,1==$(s,1));else{ya=$(s,T);ia=$(s,gb);nd=$(s,T);sb=$(s,\nT);dd=$(s,T);Zb=$(s,T);for(P=0;P<ya;++P)Sq(s.f,6);for(J=0;J<nd;++J)Vq(s.f,$(s,T),7);for(J=0;J<sb;++J)Vq(s.f,$(s,T),8);for(J=0;J<dd;++J)Vq(s.f,$(s,T),$(s,8));for(J=0;J<Zb;++J)hr(s.f,$(s,T),$(s,4)-8);Nb=1+ia-ya;L=$(s,4);La=0;rr(s.f,0,0);sr(s.f,0,0);tr(s.f,0,0);xa=null!=R&&39<=R[0];Dc=wc=Cc=ab=0;Tb=ka=!1;xa&&(R.length>2*ya-2&&39==R[2*ya-2]||R.length>3*ya-3&&39==R[3*ya-3]?(Tb=!0,Ib=(ka=R.length==3*ya-3+9)?3*ya-3:2*ya-2,Za=86*(R[Ib+1]-40)+R[Ib+2]-40,ab=Math.pow(10,Za/2E3-1),Ib+=2,Dd=86*(R[Ib+1]-40)+R[Ib+\n2]-40,Cc=Math.pow(10,Dd/1500-1),Ib+=2,xd=86*(R[Ib+1]-40)+R[Ib+2]-40,wc=Math.pow(10,xd/1500-1),ka&&(Ib+=2,$a=86*(R[Ib+1]-40)+R[Ib+2]-40,Dc=Math.pow(10,$a/1500-1))):ka=R.length==3*ya-3);s.b&&ka&&(R=null,xa=!1);for(J=1;J<ya;++J)fd=$(s,L),0==fd?(xa&&(rr(s.f,J,s.f.G[0].a+8*(R[2*J-2]-83)),sr(s.f,J,s.f.G[0].b+8*(R[2*J-1]-83)),ka&&tr(s.f,J,s.f.G[0].c+8*(R[2*ya-3+J]-83))),++Nb):(La+=fd-1,xa&&(rr(s.f,J,yo(s.f,La)+R[2*J-2]-83),sr(s.f,J,zo(s.f,La)+R[2*J-1]-83),ka&&tr(s.f,J,Ao(s.f,La)+(R[2*ya-3+J]-83))),Wq(s.f,\nLa,J,1));for(J=0;J<Nb;++J)Wq(s.f,$(s,T),$(s,T),1);Ic=C(bo,cn,-1,ia,2);for(da=0;da<ia;++da)switch(U=$(s,2),U){case 0:H6(s.f,D(s.f,0,da))||H6(s.f,D(s.f,1,da))?co(s.f,da,32):Ic[da]=!0;break;case 2:co(s.f,da,2);break;case 3:co(s.f,da,4)}Mb=$(s,T);for(J=0;J<Mb;++J)if(P=$(s,T),8==od)db=$(s,2),3==db?(jr(s.f,P,1,0),pr(s.f,P,1,!1)):pr(s.f,P,db,!1);else switch(db=$(s,3),db){case 4:pr(s.f,P,1,!1);jr(s.f,P,1,$(s,3));break;case 5:pr(s.f,P,2,!1);jr(s.f,P,1,$(s,3));break;case 6:pr(s.f,P,1,!1);jr(s.f,P,2,$(s,3));\nbreak;case 7:pr(s.f,P,2,!1);jr(s.f,P,2,$(s,3));break;default:pr(s.f,P,db,!1)}8==od&&0==$(s,1)&&(s.f.I=!0);Qa=$(s,gb);for(J=0;J<Qa;++J)if(da=$(s,gb),1==s.f.E[da])switch(db=$(s,3),db){case 4:vr(s.f,da,1,!1);ur(s.f,da,1,$(s,3));break;case 5:vr(s.f,da,2,!1);ur(s.f,da,1,$(s,3));break;case 6:vr(s.f,da,1,!1);ur(s.f,da,2,$(s,3));break;case 7:vr(s.f,da,2,!1);ur(s.f,da,2,$(s,3));break;default:vr(s.f,da,db,!1)}else vr(s.f,da,$(s,2),!1);xr(s.f,1==$(s,1));hb=null;for($b=0;1==$(s,1);)switch(qa=$b+$(s,4),qa){case 0:oa=\n$(s,T);for(J=0;J<oa;++J)P=$(s,T),qr(s.f,P,2048);break;case 1:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),gd=$(s,8),or(s.f,P,gd);break;case 2:oa=$(s,gb);for(J=0;J<oa;++J)da=$(s,gb),co(s.f,da,64);break;case 3:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),qr(s.f,P,4096);break;case 4:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),gc=$(s,4)<<3,qr(s.f,P,gc);break;case 5:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),ja=$(s,2)<<1,qr(s.f,P,ja);break;case 6:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),qr(s.f,P,1);break;case 7:oa=$(s,T);for(J=0;J<oa;++J)P=\n$(s,T),Qc=$(s,4)<<7,qr(s.f,P,Qc);break;case 8:oa=$(s,T);for(J=0;J<oa;++J){P=$(s,T);jc=$(s,4);Xc=C(B,w,-1,jc,1);for(nb=0;nb<jc;++nb)Ga=$(s,8),Xc[nb]=Ga;var hd=s.f,ke=P,Vb=Xc;null==hd.t&&(hd.t=C(Fo,Hn,92,hd.J,0));null!=Vb&&np(Vb);hd.t[ke]=Vb;hd.N=0;hd.H=!0}break;case 9:oa=$(s,gb);for(J=0;J<oa;++J)da=$(s,gb),gc=$(s,2)<<4,wr(s.f,da,gc);break;case 10:oa=$(s,gb);for(J=0;J<oa;++J)da=$(s,gb),cc=$(s,4),wr(s.f,da,cc);break;case 11:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),qr(s.f,P,8192);break;case 12:oa=$(s,gb);\nfor(J=0;J<oa;++J)da=$(s,gb),X=$(s,8)<<6,wr(s.f,da,X);break;case 13:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),yb=$(s,3)<<14,qr(s.f,P,yb);break;case 14:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),wd=$(s,5)<<17,qr(s.f,P,wd);break;case 15:$b=16;break;case 16:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),oc=$(s,3)<<22,qr(s.f,P,oc);break;case 17:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),gr(s.f,P,$(s,4));break;case 18:oa=$(s,T);ob=$(s,4);for(J=0;J<oa;++J){P=$(s,T);nc=$(s,ob);Jb=C(Ep,Ym,-1,nc,1);for(nb=0;nb<nc;++nb)Jb[nb]=$(s,7)<<24>>\n24;var ec=s.f,Qd=P,ac=Yq(Jb,0,Jb.length),Jd=void 0;if(null!=ac)if(0==ac.length)ac=null;else if(Jd=zr(ac),0!=Jd&&M(ac,Mq[Jd])||M(ac,ee))Vq(ec,Qd,Jd),ac=null;null==ac?null!=ec.r&&(ec.r[Qd]=null):(null==ec.r&&(ec.r=C(Qq,o,3,ec.J,0)),ec.r[Qd]=sU(ac))}break;case 19:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),S=$(s,3)<<25,qr(s.f,P,S);break;case 20:oa=$(s,gb);for(J=0;J<oa;++J)da=$(s,gb),oc=$(s,3)<<14,wr(s.f,da,oc);break;case 21:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),lr(s.f,P,$(s,2)<<4);break;case 22:oa=$(s,T);for(J=\n0;J<oa;++J)P=$(s,T),qr(s.f,P,268435456);break;case 23:oa=$(s,gb);for(J=0;J<oa;++J)da=$(s,gb),wr(s.f,da,131072);break;case 24:oa=$(s,gb);for(J=0;J<oa;++J)da=$(s,gb),ja=$(s,2)<<18,wr(s.f,da,ja);break;case 25:for(J=0;J<ya;++J)if(1==$(s,1)){var Rc=s.f;Rc.s[J]|=512}break;case 26:oa=$(s,gb);hb=C(B,w,-1,oa,1);for(J=0;J<oa;++J)hb[J]=$(s,gb);break;case 27:oa=$(s,T);for(J=0;J<oa;++J)P=$(s,T),qr(s.f,P,536870912)}$n(new no(s.f),Ic);if(null!=hb)for(ib=0,Ba=hb.length;ib<Ba;++ib)da=hb[ib],co(s.f,da,2==s.f.E[da]?\n4:2);md=0;if(null==R&&V.length>s.d+1&&(32==V[s.d+1]||9==V[s.d+1]))R=V,md=s.d+2;if(null!=R)try{if(33==R[md]||35==R[md]){I6(s,R,md+1);ka=1==$(s,1);Tb=1==$(s,1);tb=2*$(s,4);Ja=1<<tb;da=0;for(P=1;P<ya;++P)da<ia&&D(s.f,1,da)==P?(Hb=D(s.f,0,da++),cb=1):(Hb=0,cb=8),rr(s.f,P,yo(s.f,Hb)+cb*($(s,tb)-~~(Ja/2))),sr(s.f,P,zo(s.f,Hb)+cb*($(s,tb)-~~(Ja/2))),ka&&tr(s.f,P,Ao(s.f,Hb)+cb*($(s,tb)-~~(Ja/2)));Ka=ka?1.5:($o(),24);uc=Zq(s.f,ya,ia,Ka);if(35==R[md]){vc=0;dc=C(B,w,-1,ya,1);for(P=0;P<ya;++P)vc+=dc[P]=mp(s.f,\nP);for(P=0;P<ya;++P)for(J=0;J<dc[P];++J)Qc=Sq(s.f,1),Wq(s.f,P,Qc,1),rr(s.f,Qc,yo(s.f,P)+($(s,tb)-~~(Ja/2))),sr(s.f,Qc,zo(s.f,P)+($(s,tb)-~~(Ja/2))),ka&&tr(s.f,Qc,Ao(s.f,P)+($(s,tb)-~~(Ja/2)));ya+=vc}if(Tb){var Xf=$(s,tb),Jc=Math.log(2E3)*Math.LOG10E*Xf/(Ja-1)-1;ab=Math.pow(10,Jc);Cc=ab*J6($(s,tb),Ja);wc=ab*J6($(s,tb),Ja);ka&&(Dc=ab*J6($(s,tb),Ja));cb=ab/uc;for(P=0;P<ya;++P)rr(s.f,P,Cc+cb*yo(s.f,P)),sr(s.f,P,wc+cb*zo(s.f,P)),ka&&tr(s.f,P,Dc+cb*Ao(s.f,P))}else{cb=1.5/uc;for(P=0;P<ya;++P)rr(s.f,P,cb*\nyo(s.f,P)),sr(s.f,P,cb*zo(s.f,P)),ka&&tr(s.f,P,cb*Ao(s.f,P))}}else if(ka&&!Tb&&0==ab&&(ab=1.5),0!=ab&&0!=s.f.p){for(da=uc=0;da<s.f.p;++da)Yc=yo(s.f,D(s.f,0,da))-yo(s.f,D(s.f,1,da)),je=zo(s.f,D(s.f,0,da))-zo(s.f,D(s.f,1,da)),Zc=ka?Ao(s.f,D(s.f,0,da))-Ao(s.f,D(s.f,1,da)):0,uc+=Math.sqrt(Yc*Yc+je*je+Zc*Zc);uc/=s.f.p;jb=ab/uc;for(P=0;P<s.f.o;++P)rr(s.f,P,yo(s.f,P)*jb+Cc),sr(s.f,P,zo(s.f,P)*jb+wc),ka&&tr(s.f,P,Ao(s.f,P)*jb+Dc)}}catch(pc){if(pc=Ro(pc),E(pc,102))Da=pc,Da._d(),R=null,ka=!1;else throw pc;\n}if((vd=null!=R&&!ka)||s.b){ao(s.f,3);for(da=0;da<s.f.d;++da)if(2==jo(s.f,da)&&!Po(s.f,da)&&0==(s.f.C[da]&3)){var pb=s.f;pb.C[da]|=16777216}}!vd&&s.b&&(s.f.N|=4,wb=new S6,wb.i=new Y6,Qs(wb,s.f),vd=!0);vd?(Jr(s.f),R6(s.f)):ka||(s.f.N|=4)}ea=mb}}b=(new Sr(ea)).a.a.a;a="readOCLCode";d=null}catch(yd){if(yd=Ro(yd),!E(yd,102))throw yd;}e=!1;if(null!=b&&null==d)try{(e=YP(this.a,b,!1))&&this.c&&MN(this.a,a,0,0,0,!0)}catch(Ae){if(Ae=Ro(Ae),E(Ae,102))d="Invalid converted molfile";else throw Ae;}this.a.hc=e;\nthis.e?e?fQ(this.e):gQ(this.e,new dp(d)):null!=d&&a3(this.a,d);this.d&&DI(this.a)};Y(663);Y(664);Y(24);Y(29);Y(30);N(y_)(1);\n//@ sourceURL=1.js\n')
  