openchemlib 8.9.0 → 8.10.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.9.0
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- * @date 2024-02-23T06:25:25.161Z
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+ * @version v8.10.0
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+ * @date 2024-05-13T13:36:31.944Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -24,118 +24,120 @@
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c,d;for(d=0;d<a.Z.a.length;d++)a.v=f1.Zw(a.v,_0.Yh(a.Z,d));$0.ad(a,b);c=0.1*b;a.v.c-=c;a.v.d-=c;a.v.b+=2*c;a.v.a+=2*c};$0.ad=function ad(a,b){var c,d,e,f,g,h,i;e=WL(V0.GQ,k2,5,a.K.o,16,1);for(d=0;d<a.K.p;d++){if($0.wk(a.K,d)){e[$0.Uj(a.K,0,d)]=true;e[$0.Uj(a.K,1,d)]=true}}g=new f1.$w;for(c=0;c<a.K.o;c++){f=gR(NQ($0.Kj(a.K,c),l2),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=$0.hh(a.Q,$0.Mj(a.K,c));i=$0.ih(a.Q,$0.Nj(a.K,c));f1.Yw(g,h-f,i-f,f*2,f*2);a.v=f1.Zw(a.v,g)}}};$0.bd=function bd(a,b){var c;c=a.L!=0?a.L:a.C!=0?a.C:-1;return h1.eJ(b,c)};$0.cd=function cd(a,b){var c,d;if((a.F&4224)!=0)return a.p[b];d=$0.dd(a,b);if(d==-1){c=$0.wm(a.K,b);if(c!=-1){b=c;d=$0.dd(a,b)}}if(d==-1)return a.p[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};
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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;$0.sm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){$0.ho(a,b);return}if(a.g[b]<3||a.g[b]>4){$0.nl(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if($0.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=$0.vn(a,b);d=WL(V0.nN,W2,5,c,15,1);for(h=0;h<c;h++)d[h]=$0.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&$0.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?$0.tq(a.n,b):0)<=24&&$0.io(a,b,p,d))return;m=$0.co(a,b,true);if(m==-1)return;if(a.B[0][m]!=b){a.B[1][m]=a.B[0][m];a.B[0][m]=b}n=-1;for(j=0;j<c;j++){if(m==a.i[b][p[j]]){n=j;break}}q=cM(QL(V0.pN,2),i3,6,0,[cM(QL(V0.pN,1),S1,5,15,[2,1,2,1]),cM(QL(V0.pN,1),S1,5,15,[1,2,2,1]),cM(QL(V0.pN,1),S1,5,15,[1,1,2,2]),cM(QL(V0.pN,1),S1,5,15,[2,1,1,2]),cM(QL(V0.pN,1),S1,5,15,[2,2,1,1]),cM(QL(V0.pN,1),S1,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=o2);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<p2||d[1]>d[2]&&d[1]-d[2]>p2;break;case 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$0.Sq(a.i,3);v=WL(V0.GQ,k2,5,K.i.a.length,16,1);for(G=0;G<K.i.a.length;G++){I=_0.Yh(K.i,G);v[G]=true;for(q=0;q<I.length;q++){if(!$0.Ek(a.i,I[q])){v[G]=false;break}}if(v[G]){for(r=0;r<I.length;r++)w[I[r]]=true;J=_0.Yh(K.j,G);for(s=0;s<J.length;s++){if(!a.f[J[s]]){a.f[J[s]]=true;++a.c}}}}for(l=0;l<a.i.e;l++){!a.f[l]&&(K.b[l]&L1)!=0&&$0.Ek(a.i,$0.Uj(a.i,0,l))&&$0.Ek(a.i,$0.Uj(a.i,1,l))&&$0.js(a,l)}for(m=0;m<a.i.e;m++){if(!a.f[m]){e=$0.Uj(a.i,0,m);f=$0.Uj(a.i,1,m);if(!w[e]&&!w[f]&&$0.Ek(a.i,e)&&$0.Ek(a.i,f)){a.f[m]=true;++a.c}}}$0.Ss(a.i,7);u=WL(V0.GQ,k2,5,a.i.e,16,1);for(t=0;t<a.i.e;t++)u[t]=a.f[t];for(H=0;H<K.i.a.length;H++){if(v[H]){I=_0.Yh(K.i,H);for(p=0;p<I.length;p++){if(!$0.xs(a,I[p])){if($0.Ek(a.i,I[p])){$0.ll(a.i,I[p],false);--a.b}for(B=0;B<$0.Rm(a.i,I[p]);B++){o=$0.Sm(a.i,I[p],B);if(a.f[o]){a.f[o]=false;--a.c}}}}}}$0.ws(a);for(F=0;F<K.i.a.length;F++){if(v[F]&&_0.Yh(K.j,F).length==6){J=_0.Yh(K.j,F);A=true;for(h=J,i=0,j=h.length;i<j;++i){g=h[i];if(!a.f[g]){A=false;break}}if(A){$0.vs(a,J[0]);$0.vs(a,J[2]);$0.vs(a,J[4]);$0.ws(a)}}}for(D=5;D>=4;D--){do{C=false;for(g=0;g<a.i.e;g++){if(a.f[g]){c=0;for(p=0;p<2;p++){n=$0.Uj(a.i,p,g);for(B=0;B<$0.Rm(a.i,n);B++)a.f[$0.Sm(a.i,n,B)]&&++c}if(c==D){$0.vs(a,g);$0.ws(a);C=true;break}}}}while(C)}while(a.b>=2)if(!$0.ms(a,u))break;if(b){if(a.b!=0){for(d=0;d<a.i.d;d++){if($0.Ek(a.i,d)){$0.ll(a.i,d,false);$0.ol(a.i,d,2,true);--a.b}}}if(a.c!=0){for(g=0;g<a.i.e;g++){if(a.f[g]){a.f[g]=false;$0.Fl(a.i,g,64);--a.c}}}}else{for(d=0;d<a.i.d;d++){if($0.Ek(a.i,d)&&$0.dn(a.i,d)!=0){$0.ll(a.i,d,false);$0.pl(a.i,d,32);--a.b}}}if(a.b!=0)throw LQ(new W0.NJ(e4));if(a.c!=0)throw LQ(new W0.NJ(e4))};
85
- $0.rs=function rs(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb;a.i=b;$0.gj(a.i);!!a.n&&W0.iS(a.n,0);a.b=0;i=a.k!=0;cb=null;q=WL(V0.pN,S1,5,32,15,1);q[0]=-1;ib=WL(V0.pN,S1,5,16,15,1);lb=WL(V0.pN,S1,5,16,15,1);kb=WL(V0.pN,S1,5,16,15,1);jb=WL(V0.pN,S1,5,16,15,1);for(N=0;N<16;N++)ib[N]=-1;n=0;I=-1;ob=false;Q=false;nb=false;v=0;t=1;s=0;m=new h1.nJ;db=new $0.Ls(c);l=new $0.Cs;while(c[d]<=32)++d;while(d<e){qb=c[d++]&L1;if(GS(qb)||qb==42||qb==63||qb==33&&i&&ob||qb==35&&i&&ob){p=-1;A=0;T=0;h=-1;G=-1;bb=false;P=false;o=0;if(ob){if(qb==42){p=6;o=pR(iR(V0.VQ(o),1))}else if(qb==63){p=0}else{R=qb==33;if(R){nb=true;o=pR(iR(V0.VQ(o),1));++d}if(c[d-1]==82&&i&&(FS(c[d]&L1)||a.a&&c[d]==123)){p=6;o=pR(iR(V0.VQ(o),1));--d;R&&--d}else{$0.os(c,d-1,e,l);p=l.a;d+=l.b-1;G=9;if(i&&(c[d]==44||R)){V=l.d;U=l.c;pb=d-l.b;while(pb<e){$0.os(c,pb,e,l);h1.lJ(m,W0.TT(l.a));V=V|l.d;U=U|l.c;pb+=l.b;if(c[pb]!=44)break;++pb;if(c[pb]==33){if(!R)throw LQ(new W0.NJ("SmilesParser: inconsistent '!' in atom list."));++pb}}if(m.a.a.length>1){G=-1;U?V||(o=pR(iR(V0.VQ(o),4))):(o=pR(iR(V0.VQ(o),2)))}d=pb}}}while(ob){if(c[d]==64){++d;if(c[d]==64){P=true;++d}bb=true;continue}if(c[d]==58){++d;while(FS(c[d]&L1)){T=10*T+c[d]-48;++d}continue}if(c[d]==91)throw LQ(new W0.NJ('SmilesParser: nested square brackets found'));if(c[d]==93){++d;ob=false;continue}if(c[d]==43){A=1;++d;while(c[d]==43){++A;++d}if(A==1&&FS(c[d]&L1)){A=c[d]-48;++d}A==0&&(o=pR(iR(V0.VQ(o),z2)));continue}if(c[d]==45){A=-1;++d;while(c[d]==45){--A;++d}if(A==-1&&FS(c[d]&L1)){A=48-c[d];++d}A==0&&(o=pR(iR(V0.VQ(o),z2)));continue}R=c[d]==33;R&&++d;if(c[d]==72){++d;d+=$0.Is(db,c,d,1);G=db.c;H=0;db.c<=0&&db.b>=0&&(H=pR(iR(V0.VQ(H),128)));db.c<=1&&db.b>=1&&(H=pR(iR(V0.VQ(H),256)));db.c<=2&&db.b>=2&&(H=pR(iR(V0.VQ(H),512)));db.c<=3&&db.b>=3&&(H=pR(iR(V0.VQ(H),x2)));if(R){o|=H;G=-1}else{if(db.b==db.c){G=db.c}else{o=pR(iR(V0.VQ(o),NQ(w2,V0.VQ(~H))));G=-1}}continue}if(c[d]==68){++d;d+=$0.Is(db,c,d,1);H=0;db.c<=0&&db.b>=0&&(H=iR(H,m3));db.c<=1&&db.b>=1&&(H=iR(H,c3));db.c<=2&&db.b>=2&&(H=iR(H,b3));db.c<=3&&db.b>=3&&(H=iR(H,o3));db.c<=4&&db.b>=4&&(H=iR(H,E2));if(SQ(H,0)!=0){R||(H=rR(H,D2));o=pR(iR(V0.VQ(o),H))}continue}if(c[d]==122&&a.a){++d;d+=$0.Is(db,c,d,4);H=0;db.c<=0&&db.b>=0&&(H=iR(H,O2));db.c<=1&&db.b>=1&&(H=iR(H,f4));db.c<=2&&db.b>=2&&(H=iR(H,g4));db.c<=3&&db.b>=3&&(H=iR(H,h4));db.c<=4&&db.b>=4&&(H=iR(H,N2));if(SQ(H,0)!=0){R||(H=rR(H,I2));o=pR(iR(V0.VQ(o),H))}continue}if(c[d]==88){++d;d+=$0.Is(db,c,d,1);wb=($0.Ri(),$0.Mi)[p];if(wb==null)continue;sb=wb[0];H=0;sb-db.c<=0&&sb-db.b>=0&&(H=iR(H,r2));sb-db.c<=1&&sb-db.b>=1&&(H=iR(H,C3));sb-db.c<=2&&sb-db.b>=2&&(H=iR(H,K1));if(SQ(H,0)!=0){R||(H=rR(H,C2));o=pR(iR(V0.VQ(o),H))}continue}if(c[d]==65||c[d]==97){++d;o=pR(iR(V0.VQ(o),R^c[d]==65?4:2));continue}if(c[d]==82){++d;d+=$0.Is(db,c,d,3);H=0;db.c<=0&&db.b>=0&&(H=iR(H,8));db.c<=1&&db.b>=1&&(H=iR(H,16));db.c<=2&&db.b>=2&&(H=iR(H,32));db.c<=3&&db.b>=3&&(H=iR(H,64));db.b>3&&$0.zs(a,(R?'!R':'R')+db.b);if(SQ(H,0)!=0){R||(H=rR(H,120));o=pR(iR(V0.VQ(o),H))}continue}if(c[d]==114){++d;d+=$0.Is(db,c,d,1);if(db.a){R?(o=pR(iR(V0.VQ(o),384))):(o=pR(iR(V0.VQ(o),8)));continue}mb=db.c;db.b>db.c&&$0.zs(a,(R?'!r':'r')+('{'+db.c+'-'+db.b+'}'));!R&&mb>=3&&mb<=7?(o|=mb<<22):db.b>db.c||$0.zs(a,(R?'!r':'r')+mb);continue}if(c[d]==118){++d;d+=$0.Is(db,c,d,1);sb=db.c;db.b>db.c&&$0.zs(a,(R?'!v':'v')+('{'+db.c+'-'+db.b+'}'));!R&&sb<=14?(h=sb):db.b>db.c||$0.zs(a,(R?'!v':'v')+sb);continue}if(i&&(c[d]==59||c[d]==38)){nb=true;++d;continue}throw LQ(new W0.NJ("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&L1)+"'"))}}else if(qb==42){p=6;o=pR(iR(V0.VQ(o),1))}else if(qb==63){p=0}else if((qb==65||qb==97)&&i){p=6;o=pR(iR(V0.VQ(o),1));o=pR(iR(V0.VQ(o),qb==65?4:2));nb=true}else{switch(String.fromCharCode(qb).toUpperCase().charCodeAt(0)){case 66:if(d<e&&c[d]==114){p=35;++d}else p=5;break;case 67:if(d<e&&c[d]==108){p=17;++d}else p=6;break;case 70:p=9;break;case 73:p=53;break;case 78:p=7;break;case 79:p=8;break;case 80:p=15;break;case 83:p=16;}}if(p==-1&&qb!=63)throw LQ(new W0.NJ('SmilesParser: unknown element label found'));k=$0.Ti(a.i,p);$0.cl(a.i,k,A);$0.kl(a.i,k,T,false);$0.al(a.i,k,h);if(o!=0){nb=true;if(gR(NQ(V0.VQ(o),2),0)){o=pR(NQ(V0.VQ(o),-3));$0.ll(a.i,k,true);++a.b}else{$0.ll(a.i,k,false)}$0.ol(a.i,k,V0.VQ(o),true)}if(m.a.a.length!=0){nb=true;S=WL(V0.pN,S1,5,m.a.a.length,15,1);for(M=0;M<m.a.a.length;M++)S[M]=(M<0?null:_0.Yh(m.a,M)).a;$0.il(a.i,k,S);Z0.Q0(m.a.a).length=0}else{if(String.fromCharCode(qb).toLowerCase().charCodeAt(0)==qb&&GS(qb)){if(p!=5&&p!=6&&p!=7&&p!=8&&p!=15&&p!=16&&p!=33&&p!=34)throw LQ(new W0.NJ('SmilesParser: atomicNo '+p+' must not be aromatic'));$0.ll(a.i,k,true);++a.b}else{$0.ll(a.i,k,false)}}if(G!=-1&&p!=1){w=WL(V0.lN,l3,5,1,15,1);w[0]=(G==9?0:G)<<24>>24;$0.gl(a.i,k,w)}I=q[v];if(q[v]!=-1&&t!=512){r=$0.Vi(a.i,q[v],k,t);if(s!=0){nb=true;$0.El(a.i,r,s,true)}}t=1;s=0;q[v]=k;if(n!=0){$0.ml(a.i,k,n);n=0}if(g){$=!cb?null:_0.PY(cb,W0.TT(I));!!$&&$0.Es($,k,d);if(bb){!cb&&(cb=new _0.M$);L=G==9?0:G;_0.E$(cb,W0.TT(k),new $0.Hs(k,d-2,I,L,P))}}continue}if(qb==46){q[v]=-1;t=512;continue}if(qb==45||qb==61||qb==35||qb==36||qb==58||qb==47||qb==92||qb==60||qb==126||qb==33||qb==64){if(ob)throw LQ(new W0.NJ("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(qb)+"'"));D=0;while(qb==45||qb==61||qb==35||qb==36||qb==58||qb==47||qb==92||qb==60||qb==126||qb==33||qb==64){if(qb==33){qb=c[d++]&L1;qb==64&&(s|=128);if(qb==45&&c[d]==62||qb==60&&c[d]==45){D|=32;++d}else if(qb==45)D|=1;else if(qb==61)D|=2;else if(qb==35)D|=4;else if(qb==36)D|=32;else if(qb==58)D|=8;else throw LQ(new W0.NJ("SmilesParser: bond symbol '"+String.fromCharCode(qb)+"' not allowed after '!'."))}else{if(qb==64)s|=256;else if(qb==61)t=2;else if(qb==35)t=4;else if(qb==36)t=8;else if(qb==58)t=64;else if(qb==126)s|=31;else if(qb==47){g&&(t=257)}else if(qb==92){g&&(t=129)}else if(qb==45&&c[d]==62||qb==60&&c[d]==45){t=32;++d}if(c[d]==44){s|=(t==32?62:qb)==61?2:(t==32?62:qb)==35?4:(t==32?62:qb)==36?32:(t==32?62:qb)==58?8:(t==32?62:qb)==62?16:(t==32?62:qb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){s|=16;d+=3}else{s|=$0.ls(c[d+1]&L1);d+=2}}}}if(c[d]==59){++d;qb=c[d++]&L1;continue}D!=0&&(s|=31&~D);break}continue}if(qb<=32){d=e;continue}if(FS(qb)){X=qb-48;if(ob){while(d<e&&FS(c[d]&L1)){X=10*X+c[d]-48;++d}n=X}else{u=Q?d-3:d-2;K=c[u]==45||c[u]==47||c[u]==92||c[u]==61||c[u]==35||c[u]==36||c[u]==58||c[u]==62||c[u]==126;if(Q&&d<e&&FS(c[d]&L1)){X=10*X+c[d]-48;Q=false;++d}if(X>=ib.length){if(X>=100)throw LQ(new W0.NJ('SmilesParser: ringClosureAtom number out of range'));Y=ib.length;W=ib.length;while(W<=X)W=$wnd.Math.min(100,W+16);ib=(Z0.E0(W),_0.xZ(ib,WL(V0.pN,S1,5,W,15,1),W));lb=(Z0.E0(W),_0.xZ(lb,WL(V0.pN,S1,5,W,15,1),W));kb=(Z0.E0(W),_0.xZ(kb,WL(V0.pN,S1,5,W,15,1),W));jb=(Z0.E0(W),_0.xZ(jb,WL(V0.pN,S1,5,W,15,1),W));for(M=Y;M<W;M++)ib[M]=-1}if(ib[X]==-1){ib[X]=q[v];lb[X]=d-1;kb[X]=K?t:-1;jb[X]=K?s:0}else{if(ib[X]==q[v])throw LQ(new W0.NJ('SmilesParser: ring closure to same atom'));if(g&&!!cb){$=_0.PY(cb,W0.TT(ib[X]));!!$&&$0.Es($,q[v],lb[X]);$=_0.PY(cb,W0.TT(q[v]));!!$&&$0.Es($,ib[X],d-1)}kb[X]!=-1?(t=kb[X]):t==257?(t=129):t==129&&(t=257);r=$0.Vi(a.i,ib[X],q[v],t);jb[X]!=0&&(s=jb[X]);if(s!=0){nb=true;$0.El(a.i,r,jb[X],true)}ib[X]=-1}t=1;s=0}continue}if(qb==43){throw LQ(new W0.NJ("SmilesParser: '+' found outside brackets"))}if(qb==40){if(q[v]==-1)throw LQ(new W0.NJ('Smiles with leading parenthesis are not 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100
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104
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108
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109
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113
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114
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115
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116
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- q1.NV=function NV(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p;f=b.e;if(f==0){throw LQ(new W0.mS('BigInteger divide by zero'))}e=b.d;d=b.a;if(e==1){return q1.AW(a,d[0],f)}n=a.a;o=a.d;c=o!=e?o>e?1:-1:q1.HW(n,d,o);if(c<0){return cM(QL(V0.PP,1),z3,14,0,[q1.IV,a])}p=a.e;h=o-e+1;k=e;i=p==f?1:-1;g=WL(V0.pN,S1,5,h,15,1);j=q1.zW(g,h,n,o,d,e);l=new q1.aW(i,h,g);m=new q1.aW(p,k,j);q1.MV(l);q1.MV(m);return cM(QL(V0.PP,1),z3,14,0,[l,m])};q1.OV=function OV(a,b){var c;if(jN(a)===jN(b)){return true}if(bN(b,14)){c=b;return a.e==c.e&&a.d==c.d&&q1.PV(a,c.a)}return false};q1.PV=function PV(a,b){var c;for(c=a.d-1;c>=0&&a.a[c]==b[c];c--);return c<0};q1.QV=function QV(a){var b;if(a.b==-2){if(a.e==0){b=-1}else{for(b=0;a.a[b]==0;b++);}a.b=b}return a.b};q1.RV=function RV(a){var b;if(a.c!=0){return a.c}for(b=0;b<a.a.length;b++){a.c=a.c*33+(a.a[b]&-1)}a.c=a.c*a.e;return a.c};q1.SV=function SV(a,b){if(b.e==0||a.e==0){return q1.IV}return q1.PW(),q1.QW(a,b)};q1.TV=function TV(a){return a.e==0?a:new 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;n=Z0.Q0(b).length;i=n;Z0.N0(0,Z0.Q0(b).length);if(Z0.Q0(b).charCodeAt(0)==45){l=-1;m=1;--n}else{l=1;m=0}f=(q1.vW(),q1.uW)[10];e=n/f|0;q=n%f;q!=0&&++e;h=WL(V0.pN,S1,5,e,15,1);c=q1.tW[8];g=0;o=m+(q==0?f:q);for(p=m;p<i;p=o,o=p+f){d=W0.jT((Z0.M0(p,o,Z0.Q0(b).length),Z0.Q0(b).substr(p,o-p)));j=(q1.PW(),q1.TW(h,h,g,c));j+=q1.IW(h,g,d);h[g++]=j}k=g;a.e=l;a.d=k;a.a=h;q1.MV(a)};q1.lW=function lW(a){q1.JV();return SQ(a,0)>=0?q1.gW(a):q1.TV(q1.gW(fR(a)))};BR(14,72,{4:1,27:1,72:1,14:1},q1.$V,q1._V,q1.aW,q1.bW,q1.cW);_.qb=function eW(a){return q1.LV(this,a)};_.ib=function fW(a){return q1.OV(this,a)};_.kb=function iW(){return q1.RV(this)};_.lb=function kW(){return q1.ZV(this)};_.b=-2;_.c=0;_.d=0;_.e=0;V0.PP=SS(14);q1.mW=function mW(a){var b,c,d;if(a.e==0){return 0}b=a.d<<5;c=a.a[a.d-1];if(a.e<0){d=q1.QV(a);if(d==a.d-1){--c;c=c|0}}b-=QT(c);return b};q1.nW=function nW(a,b){var c,d,e,f;c=b>>5;b&=31;e=a.d+c+(b==0?0:1);d=WL(V0.pN,S1,5,e,15,1);q1.oW(d,a.a,c,b);f=new 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vW(){q1.vW=DR;q1.tW=cM(QL(V0.pN,1),S1,5,15,[F1,1162261467,J3,1220703125,362797056,1977326743,J3,387420489,B4,214358881,429981696,815730721,1475789056,170859375,T2,410338673,612220032,893871739,1280000000,1801088541,113379904,148035889,191102976,244140625,308915776,387420489,481890304,594823321,729000000,887503681,J3,1291467969,1544804416,1838265625,60466176]);q1.uW=cM(QL(V0.pN,1),S1,5,15,[-1,-1,31,19,15,13,11,11,10,9,9,8,8,8,8,7,7,7,7,7,7,7,6,6,6,6,6,6,6,6,6,6,6,6,6,6,5])};q1.wW=function wW(a){var b,c,d;if(SQ(a,0)>=0){c=WQ(a,B4);d=dR(a,B4)}else{b=lR(a,1);c=WQ(b,500000000);d=dR(b,500000000);d=MQ(jR(d,1),NQ(a,1))}return iR(jR(d,32),NQ(c,J4))};q1.xW=function xW(a,b){q1.vW();var c,d,e,f,g,h,i,j,k,l,m,n,o,p;i=SQ(a,0)<0;i&&(a=fR(a));if(SQ(a,0)==0){switch(b){case 0:return '0';case 1:return '0.0';case 2:return '0.00';case 3:return '0.000';case 4:return P3;case 5:return '0.00000';case 6:return '0.000000';default:n=new W0.RU;b<0?(n.a+='0E+',n):(n.a+='0E',n);n.a+=b==F1?'2147483648':''+-b;return 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w.a;}}t=o*10+1+7;u=WL(V0.mN,k3,5,t+1,15,1);c=t;if(o==1){h=e[0];if(h<0){H=NQ(V0.VQ(h),J4);do{p=H;H=WQ(H,10);u[--c]=48+pR(mR(p,eR(H,10)))&L1}while(SQ(H,0)!=0)}else{H=h;do{p=H;H=H/10|0;u[--c]=48+(p-H*10)&L1}while(H!=0)}}else{D=WL(V0.pN,S1,5,o,15,1);G=o;W0.XU(e,0,D,0,G);I:while(true){A=0;for(j=G-1;j>=0;j--){F=MQ(jR(A,32),NQ(V0.VQ(D[j]),J4));r=q1.wW(F);D[j]=pR(r);A=ZQ(pR(kR(r,32)))}s=pR(A);q=c;do{u[--c]=48+s%10&L1}while((s=s/10|0)!=0&&c!=0);d=9-q+c;for(i=0;i<d&&c>0;i++){u[--c]=48}l=G-1;for(;D[l]==0;l--){if(l==0){break I}}G=l+1}while(u[c]==48){++c}}n=B<0;g=t-c-b-1;if(b==0){n&&(u[--c]=45);return W0.DU(u,c,t-c)}if(b>0&&g>=-6){if(g>=0){k=c+g;for(m=t-1;m>=k;m--){u[m+1]=u[m]}u[++k]=46;n&&(u[--c]=45);return W0.DU(u,c,t-c+1)}for(l=2;l<-g+1;l++){u[--c]=48}u[--c]=46;u[--c]=48;n&&(u[--c]=45);return W0.DU(u,c,t-c)}C=c+1;f=t;v=new W0.SU;n&&(v.a+='-',v);if(f-C>=1){W0.KU(v,u[c]);v.a+='.';v.a+=W0.DU(u,c+1,t-c-1)}else{v.a+=W0.DU(u,c,t-c)}v.a+='E';g>0&&(v.a+='+',v);v.a+=''+g;return v.a};q1.zW=function zW(a,b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;q=WL(V0.pN,S1,5,d+1,15,1);r=WL(V0.pN,S1,5,f+1,15,1);s=f;i=QT(e[f-1]);if(i!=0){q1.oW(r,e,0,i);q1.oW(q,c,0,i)}else{W0.XU(c,0,q,0,d);W0.XU(e,0,r,0,f)}j=r[s-1];l=b-1;m=d;while(l>=0){k=0;if(q[m]==j){k=-1}else{t=MQ(jR(NQ(V0.VQ(q[m]),J4),32),NQ(V0.VQ(q[m-1]),J4));w=q1.CW(t,j);k=pR(w);v=pR(kR(w,32));if(k!=0){o=0;A=0;u=false;++k;do{--k;if(u){break}o=eR(NQ(V0.VQ(k),J4),NQ(V0.VQ(r[s-2]),J4));A=MQ(jR(V0.VQ(v),32),NQ(V0.VQ(q[m-2]),J4));p=MQ(NQ(V0.VQ(v),J4),NQ(V0.VQ(j),J4));QT(pR(lR(p,32)))<32?(u=true):(v=pR(p))}while($Q(rR(o,K4),rR(A,K4)))}}if(k!=0){g=q1.DW(q,m-s,r,s,k);if(g!=0){--k;h=0;for(n=0;n<s;n++){h=MQ(h,MQ(NQ(V0.VQ(q[m-s+n]),J4),NQ(V0.VQ(r[n]),J4)));q[m-s+n]=pR(h);h=lR(h,32)}}}a[l]=k;--m;--l}if(i!=0){q1.sW(r,s,q,0,i);return r}W0.XU(q,0,r,0,f);return q};q1.AW=function AW(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;n=a.a;o=a.d;p=a.e;if(o==1){d=NQ(V0.VQ(n[0]),J4);e=NQ(V0.VQ(b),J4);f=WQ(d,e);j=dR(d,e);p!=c&&(f=fR(f));p<0&&(j=fR(j));return 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l1.Pd;e.a=b.a;e.c=b.c;e.b=(b.a+b.b)/2;e.d=(b.c+b.d)/2;f.a=e.b;f.c=e.d;f.b=b.b;f.d=b.d;if(l1.Dd(a,e)){l1.Hd(a,a.p[c]);g=q2+h1.sT(D1.yV(D1.vV(new D1.zV(e.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(e.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(e.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(e.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,g)}if(l1.Dd(a,f)){l1.Hd(a,a.p[d]);g=q2+h1.sT(D1.yV(D1.vV(new D1.zV(f.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(f.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(f.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(f.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,g)}l1.Hd(a,a.P)};l1.Vc=function Vc(a,b,c,d){var e,f,g,h,i,j,k,l,m;l=(b.b-b.a)/10;m=(b.d-b.c)/10;e=new l1.Pd;if(l1.yk(a.K,l1.Om(a.K,c,d))){f=-3;g=-3}else{f=a.p[c];g=a.p[d]}l1.Hd(a,f);e.a=b.a;e.c=b.c;e.b=b.a+l*2;e.d=b.c+m*2;i=q2+h1.sT(D1.yV(D1.vV(new D1.zV(e.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(e.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(e.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(e.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,i);e.a=b.a+l*4;e.c=b.c+m*4;e.b=b.a+l*5;e.d=b.c+m*5;j=q2+h1.sT(D1.yV(D1.vV(new D1.zV(e.a),D1.nX)))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(e.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(e.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(e.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,j);l1.Hd(a,g);e.a=b.a+l*5;e.c=b.c+m*5;e.b=b.a+l*6;e.d=b.c+m*6;k=q2+h1.sT(D1.yV(D1.vV(new D1.zV(e.a),D1.nX)))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(e.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(e.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(e.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,k);e.a=b.a+l*8;e.c=b.c+m*8;e.b=b.b;e.d=b.d;h=q2+h1.sT(D1.yV(D1.vV(new D1.zV(e.a),D1.nX)))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(e.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(e.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(e.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,h);l1.Hd(a,a.P)};l1.Wc=function Wc(a,b,c){l1.Wr(a,b-a.U/2,c-a.U/2,a.U)};l1.Xc=function Xc(a,b,c,d){var e;if(l1.yk(a.K,l1.Om(a.K,c,d))){l1.Hd(a,-3);e=q2+h1.sT(D1.yV(D1.vV(new D1.zV(b.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(b.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(b.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(b.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,e);l1.Hd(a,a.P)}else if(a.p[c]!=a.p[d]){l1.Uc(a,b,c,d)}else if(a.p[c]!=0){l1.Hd(a,a.p[c]);e=q2+h1.sT(D1.yV(D1.vV(new D1.zV(b.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(b.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(b.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(b.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,e);l1.Hd(a,a.P)}else{e=q2+h1.sT(D1.yV(D1.vV(new D1.zV(b.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(b.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(b.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(b.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,e)}};l1.Yc=function Yc(a,b,c,d,e,f,g){g.a=b.a+e;g.c=b.c+f;g.b=b.b+e;g.d=b.d+f;l1.Xc(a,g,c,d)};l1.Zc=function Zc(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;l=b.b-b.a;o=b.d-b.c;i=$wnd.Math.sqrt(l*l+o*o);j=2*xR(eR($wnd.Math.round(i/(4*a.X))));m=l/(j-1);p=o/(j-1);if(l1.yk(a.K,l1.Om(a.K,c,d))){e=-3;f=-3}else{e=a.p[c];f=a.p[d]}k=b.a-a.X/2;n=b.c-a.X/2;l1.Hd(a,e);for(h=0;h<(j/2|0);h++){l1.Wr(a,k,n,a.X);k+=m;n+=p}l1.Hd(a,f);for(g=0;g<(j/2|0);g++){l1.Wr(a,k,n,a.X);k+=m;n+=p}l1.Hd(a,a.P)};l1.$c=function $c(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;i=(b.c-b.d)/9;n=(b.b-b.a)/9;j=b.b+i;o=b.d+n;k=b.b-i;p=b.d-n;l=(b.a+j)/2;q=(b.c+o)/2;m=(b.a+k)/2;r=(b.c+p)/2;g=new s1._w(3);h=new s1._w(4);s1.$w(g,b.a,b.c);s1.$w(g,l,q);s1.$w(g,m,r);s1.$w(h,m,r);s1.$w(h,l,q);s1.$w(h,j,o);s1.$w(h,k,p);if(l1.yk(a.K,l1.Om(a.K,c,d))){e=-3;f=-3}else{e=a.p[c];f=a.p[d];if(a.K.M!=1){f=l1.bd(a,c);e==l1.zj(a.K,c)&&(e=f)}}l1.Hd(a,e);l1.Ur(a,g);l1.Hd(a,f);l1.Ur(a,h);l1.Hd(a,a.P)};l1._c=function _c(a,b){var c,d;for(d=0;d<a.Z.a.length;d++)a.v=s1.dx(a.v,m1.Xh(a.Z,d));l1.ad(a,b);c=0.1*b;a.v.c-=c;a.v.d-=c;a.v.b+=2*c;a.v.a+=2*c};l1.ad=function ad(a,b){var c,d,e,f,g,h,i;e=cM(g1.OQ,y2,5,a.K.o,16,1);for(d=0;d<a.K.p;d++){if(l1.wk(a.K,d)){e[l1.Uj(a.K,0,d)]=true;e[l1.Uj(a.K,1,d)]=true}}g=new s1.ex;for(c=0;c<a.K.o;c++){f=oR(VQ(l1.Kj(a.K,c),z2),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=l1.gh(a.Q,l1.Mj(a.K,c));i=l1.hh(a.Q,l1.Nj(a.K,c));s1.cx(g,h-f,i-f,f*2,f*2);a.v=s1.dx(a.v,g)}}};l1.bd=function bd(a,b){var c,d;if((a.F&4224)!=0)return a.p[b];d=l1.cd(a,b);if(d==-1){c=l1.wm(a.K,b);if(c!=-1){b=c;d=l1.cd(a,b)}}if(d==-1)return a.p[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};
74
+ l1.cd=function cd(a,b){var c,d,e;e=-1;d=-1;if((a.F&128)!=0)return e;if(l1.uk(a.K,b)){e=l1.Dj(a.K,b);d=l1.Cj(a.K,b)}c=l1.ym(a.K,b);if(c!=-1){e=l1.Zj(a.K,c);d=l1.Yj(a.K,c)}e!=-1&&e!=0&&(e|=d<<8);return e};l1.dd=function dd(a){var b,c,d,e,f;l1.Zr(a,2*a.R);e=new l1.Pd;for(d=0;d<a.K.p;d++){b=l1.Uj(a.K,0,d);c=l1.Uj(a.K,1,d);if(l1.wk(a.K,d)){e.a=l1.gh(a.Q,l1.Mj(a.K,b));e.c=l1.hh(a.Q,l1.Nj(a.K,b));e.b=l1.gh(a.Q,l1.Mj(a.K,c));e.d=l1.hh(a.Q,l1.Nj(a.K,c));l1.Hd(a,-2);f=q2+h1.sT(D1.yV(D1.vV(new D1.zV(e.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(e.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(e.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(e.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,f)}}};l1.ed=function ed(a){var b,c,d,e,f,g,h;if(a.K.I){g=a.V;l1.Hd(a,-7);for(b=0;b<a.K.d;b++)oR(VQ(l1.Kj(a.K,b),z2),0)&&l1.Wr(a,l1.gh(a.Q,l1.Mj(a.K,b))-g,l1.hh(a.Q,l1.Nj(a.K,b))-g,2*g);l1.Zr(a,2*a.V);f=new l1.Pd;for(e=0;e<a.K.p;e++){c=l1.Uj(a.K,0,e);d=l1.Uj(a.K,1,e);if(oR(VQ(VQ(l1.Kj(a.K,c),l1.Kj(a.K,d)),z2),0)){f.a=l1.gh(a.Q,l1.Mj(a.K,c));f.c=l1.hh(a.Q,l1.Nj(a.K,c));f.b=l1.gh(a.Q,l1.Mj(a.K,d));f.d=l1.hh(a.Q,l1.Nj(a.K,d));h=q2+h1.sT(D1.yV(D1.vV(new D1.zV(f.a),(D1.rX(),D1.nX))))+r2+s2+h1.sT(D1.yV(D1.vV(new D1.zV(f.c),D1.nX)))+r2+t2+h1.sT(D1.yV(D1.vV(new D1.zV(f.b),D1.nX)))+r2+u2+h1.sT(D1.yV(D1.vV(new D1.zV(f.d),D1.nX)))+r2+v2+a.d+r2+w2+a.j+x2;l1.cs(a,h)}}}};l1.fd=function fd(a){var b,c,d,e;if(a.K.I){l1.Hd(a,320);if((a.F&8)!=0)for(b=0;b<a.K.d;b++)oR(VQ(l1.Kj(a.K,b),-536870913),0)&&l1.Wr(a,l1.gh(a.Q,l1.Mj(a.K,b))-a.Y/2,l1.hh(a.Q,l1.Nj(a.K,b))-a.Y/2,a.Y);for(e=0;e<a.K.e;e++){if(l1.ck(a.K,e)!=0){c=l1.Uj(a.K,0,e);d=l1.Uj(a.K,1,e);l1.Wr(a,(l1.gh(a.Q,l1.Mj(a.K,c))+l1.gh(a.Q,l1.Mj(a.K,d))-a.Y)/2,(l1.hh(a.Q,l1.Nj(a.K,c))+l1.hh(a.Q,l1.Nj(a.K,d))-a.Y)/2,a.Y)}}}};l1.gd=function gd(a){a.I=1;a.Q=new l1.ih;a.Z=new m1.ki;a.T=new m1.ki;a.s=cM(g1.OQ,y2,5,a.K.o,16,1);a.w=new 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b,c,d,e,f,g,h,i,j,k,l,m;if(a.v)return;a.v=new m1.ki;k=0;l=cM(g1.xN,e2,5,a.P.d,15,1);g=cM(g1.xN,e2,5,a.P.d,15,1);i=cM(g1.xN,e2,5,a.P.e,15,1);for(b=0;b<a.P.d;b++){if(l[b]==0&&(l1.Un(a.P,b)||l1.Hm(a.P,b)==1)){g[0]=b;h=1;j=0;l[b]=++k;c=cM(g1.OQ,y2,5,a.P.e,16,1);for(f=0;f<h;f++){for(m=0;m<l1.Rm(a.P,g[f]);m++){e=l1.Sm(a.P,g[f],m);if(l1.Vn(a.P,e)||l1.ak(a.P,e)==2||l1.Jn(a.P,e)){d=l1.Qm(a.P,g[f],m);if(!c[e]){i[j++]=e;c[e]=true}if(l[d]==0){g[h++]=d;l[d]=k}}}}m1.Sh(a.v,new l1.jg(g,h,i,j))}}};l1.Fe=function Fe(a){var b;a.Q=cM(g1.OQ,y2,5,a.P.d,16,1);for(b=0;b<a.P.d;b++){if(l1.Pj(a.P,b)==7){if(l1.Rm(a.P,b)==4){a.Q[b]=true;continue}if(l1.Rm(a.P,b)==3){if(l1.Lm(a.P,b)==3){a.Q[b]=true;continue}if(l1.yj(a.P,b)==1){a.Q[b]=true;continue}if(l1.On(a.P,b,true))continue;if((a.O&32)!=0){a.Q[b]=true;continue}if(l1.Tn(a.P,b)){a.Q[b]=true;continue}}}}};l1.Ge=function Ge(a,b){var c,d,e,f;e=false;for(d=0;d<a.P.e;d++)if(l1.ve(a,d,1)){a.o[d]=a.J;b&&l1.Ve(a,d);e=true}f=false;for(c=0;c<a.P.d;c++)if(l1.Ae(a,c,1)){a.gb[c]=a.J;b&&l1.We(a,c);f=true}f&&(a.J=!a.J);return e||f};l1.He=function He(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B;s=cM(g1.OQ,y2,5,a.P.d,16,1);t=cM(g1.OQ,y2,5,a.P.e,16,1);b=0;v=false;if((a.O&128)!=0){a.W=cM(g1.xN,e2,5,a.P.d,15,1);a.V=cM(g1.xN,e2,5,a.P.e,15,1)}for(d=0;d<a.P.d;d++){if(a.U[d]){if(!a.db[d]){if(l1.Ae(a,d,1)){a.db[d]=true;s[d]=true;++b}}}}for(f=0;f<a.P.e;f++){if(a.T[f]){if(!a.n[f]){if(l1.ve(a,f,1)){a.n[f]=true;t[f]=true;++b}}}}if(b==1){for(c=0;c<a.P.d;c++){if(s[c]){a.bb[c]=0;break}}for(e=0;e<a.P.e;e++){if(t[e]){a.k[e]=0;break}}}else if(b>1){l1.Ee(a);a.R=0;for(h=new 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b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;if(a.P.d==0)return;if(a.D)return;a.G=0;v=0;for(c=1;c<a.P.d;c++)a.d[c]>a.d[v]&&(v=c);d=cM(g1.OQ,y2,5,a.P.d,16,1);g=cM(g1.OQ,y2,5,a.P.e,16,1);a.F=cM(g1.xN,e2,5,a.P.d,15,1);a.w=cM(g1.xN,e2,5,a.P.d,15,1);a.C=cM(g1.xN,e2,5,a.P.d,15,1);a.A=cM(g1.xN,e2,5,a.P.e,15,1);a.w[0]=v;a.F[v]=0;d[v]=true;e=1;i=0;j=1;k=0;while(i<a.P.d){if(i<j){while(true){o=0;p=0;m=-1;b=a.w[i];for(q=0;q<l1.Dm(a.P,b);q++){if(q<l1.Rm(a.P,b)||q>=l1.Cm(a.P,b)){h=l1.Qm(a.P,b,q);if(!d[h]&&a.d[h]>m){o=h;p=l1.Sm(a.P,b,q);m=a.d[h]}}}if(m==-1)break;a.F[o]=j;a.C[j]=i;a.w[j++]=o;a.A[k++]=p;d[o]=true;g[p]=true}++i}else{n=0;m=-1;for(b=0;b<a.P.d;b++){if(!d[b]&&a.d[b]>m){n=b;m=a.d[b]}}++e;a.F[n]=j;a.C[j]=-1;a.w[j++]=n;d[n]=true}}a.B=cM(g1.xN,e2,5,2*(a.P.e-k),15,1);while(true){s=a.P.K;t=a.P.K;u=-1;for(f=0;f<a.P.e;f++){if(!g[f]){if(a.F[l1.Uj(a.P,0,f)]<a.F[l1.Uj(a.P,1,f)]){r=a.F[l1.Uj(a.P,0,f)];l=a.F[l1.Uj(a.P,1,f)]}else{r=a.F[l1.Uj(a.P,1,f)];l=a.F[l1.Uj(a.P,0,f)]}if(r<s||r==s&&l<t){s=r;t=l;u=f}}}if(u==-1)break;g[u]=true;a.A[k++]=u;a.B[2*a.G]=s;a.B[2*a.G+1]=t;++a.G}a.D=true};l1.nf=function 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null;d=a.H[0].a;f=a.H[0].b;e=a.H[0].a;g=a.H[0].b;for(c=1;c<a.o;c++){d>a.H[c].a?(d=a.H[c].a):e<a.H[c].a&&(e=a.H[c].a);f>a.H[c].b?(f=a.H[c].b):g<a.H[c].b&&(g=a.H[c].b)}if(!b){b=new s1.fx(d,f,e-d,g-f)}else{b.c=d;b.d=f;b.b=e-d;b.a=g-f}return b};l1.gk=function gk(a,b){var c;c=a.A[b]<l1.Mi.length?l1.Mi[a.A[b]]:null;return c==null?6:c[c.length-1]};l1.hk=function hk(a,b,c){return l1.ik(a,b,c,a.A[b])};l1.ik=function ik(a,b,c,d){var e,f;if(d>=171&&d<=190)return 0;f=0;(a.s[b]&48)==32&&(f-=1);((a.s[b]&48)==16||(a.s[b]&48)==48)&&(f-=2);e=a.q[b];if(e==0&&a.I){dR(VQ(a.w[b],M2),P2)&&(e=-1);dR(VQ(a.w[b],M2),O2)&&(e=1)}d==7||d==8||d==9?(f+=e):d==6||d==14||d==32?(f-=$wnd.Math.abs(e)):d==15||d==33?c-f-e<=3?(f+=e):(f-=e):d==16||d==34||d==52?c-f-e<=4?(f+=e):(f-=$wnd.Math.abs(e)):d==17||d==35||d==53?c-f-e<=5?(f+=e):(f-=$wnd.Math.abs(e)):(f-=e);return f};l1.jk=function jk(a,b){var c;c=l1.kk(a,b);return c+l1.ik(a,b,c,a.A[b])};l1.kk=function kk(a,b){var c,d;c=((a.s[b]&J3)>>>27)-1;c==-1&&(c=(d=a.A[b]<l1.Mi.length?l1.Mi[a.A[b]]:null,d==null?6:d[d.length-1]));return c};l1.lk=function lk(a,b){var c,d,e,f,g;f=l1.Nk(a,a.B[0][b])||l1.Nk(a,a.B[1][b])?5:3;for(d=0;d<2;d++){c=a.B[d][b];e=l1.ak(a,b)+(g=l1.kk(a,c),g+l1.ik(a,c,g,a.A[c]))-l1.kn(a,c);f>e&&(f=e)}return f};l1.mk=function mk(a,b){return (a.s[b]&X1)!=0};l1.nk=function nk(a,b){var c,d,e;d=l1.lk(a,b);c=l1.Fk(a,a.B[0][b])||l1.Fk(a,a.B[1][b]);e=c?32:1;if(a.F[b]==16){a.F[b]=e;a.R=0;return true}if(a.F[b]==8){a.F[b]=d>4?16:e;a.R=0;return true}if(a.F[b]==4){a.F[b]=d>3?8:e;a.R=0;return true}if(a.F[b]==2){a.F[b]=386;a.R&=7;if((a.C[b]&128)==0)return true}if(a.F[b]==386){d>2?(a.F[b]=4):(a.F[b]=e);a.R=0;return true}if((384&a.F[b])!=0){a.F[b]=1;a.R&=7;return true}if(!c&&d<2)return false;if(a.F[b]==1){a.F[b]=2;a.R=0;return true}if(d<1)return false;if(a.F[b]==32){a.F[b]=1;a.R=0;return true}return false};l1.ok=function ok(a){var b;a.R=0;a.A=cM(g1.xN,e2,5,a.K,15,1);a.q=cM(g1.xN,e2,5,a.K,15,1);a.u=cM(g1.xN,e2,5,a.K,15,1);a.H=cM(g1.PN,N3,36,a.K,0,1);for(b=0;b<a.K;b++)a.H[b]=new l1.Xg;a.v=cM(g1.xN,e2,5,a.K,15,1);a.s=cM(g1.xN,e2,5,a.K,15,1);a.w=cM(g1.yN,y3,5,a.K,14,1);a.t=null;a.r=null;a.B=aM(g1.xN,[w3,e2],[6,5],15,[2,a.L],2);a.F=cM(g1.xN,e2,5,a.L,15,1);a.C=cM(g1.xN,e2,5,a.L,15,1);a.D=cM(g1.xN,e2,5,a.L,15,1)};l1.pk=function pk(a,b){a.R&=~b};l1.qk=function qk(a){var b;for(b=0;b<a.o;b++)if(a.H[b].c!=0)return true;return false};l1.rk=function rk(a,b){return (a.s[b]&O3)!=0};l1.sk=function sk(a,b){return a.A[b]==-1};l1.tk=function tk(a,b){return (a.s[b]&4)!=0};l1.uk=function uk(a,b){return (a.s[b]&P3)!=0};l1.vk=function vk(a,b){return a.u[b]<0};l1.wk=function wk(a,b){return (a.C[b]&Q3)!=0};l1.xk=function xk(a,b){return (a.D[b]&k3)!=0};l1.yk=function yk(a,b){return (a.C[b]&X1)!=0};l1.zk=function zk(a,b){return a.F[b]==512};l1.Ak=function Ak(a,b){return (a.C[b]&4)!=0};l1.Bk=function Bk(a,b){return (a.C[b]&A3)!=0};l1.Ck=function Ck(a,b){var c,d,e,f;if(a.I){if(oR(VQ(a.w[b],1),0))return false;if(a.t!=null&&a.t[b]!=null)for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];if(!l1.im(c))return false}}return l1.im(a.A[b])};l1.Dk=function Dk(a,b){var c,d,e,f;if(a.I){if(oR(VQ(a.w[b],1),0))return false;if(a.t!=null&&a.t[b]!=null)for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];if(!l1.jm(c))return false}}return l1.jm(a.A[b])};l1.Ek=function Ek(a,b){return (a.s[b]&A3)!=0};l1.Fk=function Fk(a,b){var c,d,e,f;if(a.I){if(oR(VQ(a.w[b],1),0))return false;if(a.t!=null&&a.t[b]!=null)for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];if(!(c>=3&&c<=4||c>=11&&c<=13||c>=19&&c<=31||c>=37&&c<=51||c>=55&&c<=84||c>=87&&c<=112))return false}}return l1.km(a.A[b])};l1.Gk=function Gk(a,b){return a.v[b]==0};l1.Hk=function Hk(a,b){var c,d,e,f;if(a.I){if(oR(VQ(a.w[b],1),0))return false;if(a.t!=null&&a.t[b]!=null)for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];if(!(c==1||c>=5&&c<=9||c>=14&&c<=17||c>=32&&c<=35||c>=52&&c<=53))return 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b,c,d,e,f,g,h,i,j,k,l,m;a.g=cM(g1.xN,e2,5,a.o,15,1);a.c=cM(g1.xN,e2,5,a.o,15,1);a.f=cM(g1.xN,w3,6,a.o,0,2);a.i=cM(g1.xN,w3,6,a.o,0,2);a.j=cM(g1.xN,w3,6,a.o,0,2);a.k=cM(g1.xN,e2,5,a.d,15,1);j=cM(g1.xN,e2,5,a.o,15,1);for(g=0;g<a.p;g++){++j[a.B[0][g]];++j[a.B[1][g]]}for(d=0;d<a.o;d++){a.f[d]=cM(g1.xN,e2,5,j[d],15,1);a.i[d]=cM(g1.xN,e2,5,j[d],15,1);a.j[d]=cM(g1.xN,e2,5,j[d],15,1)}l=false;for(h=0;h<a.e;h++){m=l1.ak(a,h);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][h];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][h];a.i[c][b]=h;++a.c[c];++a.g[c];c<a.d&&(m>1?(a.k[c]+=m-1):a.F[h]==64&&(a.k[c]=1))}}for(i=a.e;i<a.p;i++){m=l1.ak(a,i);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][i];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][i];a.i[c][b]=i;++a.c[c];a.B[1-k][i]<a.d&&++a.g[c]}}if(l){b=cM(g1.xN,e2,5,a.o,15,1);for(e=0;e<a.o;e++)b[e]=a.c[e];for(f=0;f<a.p;f++){m=l1.ak(a,f);if(m==0){for(k=0;k<2;k++){c=a.B[k][f];a.j[c][b[c]]=m;a.f[c][b[c]]=a.B[1-k][f];a.i[c][b[c]]=f;++b[c]}}}}};l1.qm=function qm(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;l1.Ys(a,1);c&&(b=true);for(i=0;i<a.p;i++){j=l1.ak(a,i);if(j==1||j==2){if(a.q[a.B[0][i]]>0&&a.q[a.B[1][i]]<0){f=a.B[0][i];g=a.B[1][i]}else if(a.q[a.B[0][i]]<0&&a.q[a.B[1][i]]>0){f=a.B[1][i];g=a.B[0][i]}else continue;if(l1.Fk(a,f)||l1.Fk(a,g))continue;if(a.A[f]<9&&l1.kn(a,f)>3||a.A[g]<9&&l1.kn(a,g)>3)continue;l=l1.dn(a,f)!=0;a.q[f]-=1;a.q[g]+=1;if(!l){s=a.F[i];j==1?(a.F[i]=2):(a.F[i]=4);if(s==129||s==257){w=a.B[0][i];r=l1.co(a,w,false);if(a.B[0][r]!=w){a.B[1][r]=a.B[0][r];a.B[1][r]=w}}}a.R=0}}t=0;p=0;n=0;for(e=0;e<a.o;e++){t+=a.q[e];if(a.q[e]<0&&!l1.Dn(a,e)){++p;l1.Ck(a,e)&&(n-=a.q[e])}}if(!b&&t!=0)throw TQ(new h1.VJ("molecule's overall charges are not balanced"));l1.Ys(a,1);u=0;v=c?t+n:n;for(h=0;h<a.o;h++){if(a.q[h]>0){if(!l1.Cn(a,h)&&l1.Ck(a,h)){k=$wnd.Math.min(l1.dn(a,h),a.q[h]);if(k!=0&&v>=k){t-=k;u-=k;v-=k;a.q[h]-=k;a.R&=1}}}}q=c?t:u;if(q<0){o=cM(g1.xN,e2,5,p,15,1);p=0;for(f=0;f<a.o;f++){a.q[f]<0&&!l1.Dn(a,f)&&(o[p++]=(a.A[f]<<22)+f)}k1.A0(o,k1.b1(MR(m1.e$.prototype.bc,m1.e$,[])));for(m=o.length-1;q<0&&m>=o.length-p;m--){d=o[m]&U3;if(l1.Ck(a,d)){k=$wnd.Math.min(-q,-a.q[d]);t+=k;q+=k;a.q[d]+=k;a.R&=1}}}return t};l1.rm=function rm(a){var b,c,d,e,f,g,h,i,j,k,l,m,n;if(!a.I)return false;for(c=0;c<a.o;c++){n=l1.kk(a,c);n+l1.ik(a,c,n,a.A[c])-l1.kn(a,c)<=0&&!(a.q[c]==0&&(a.A[c]==5||(e=a.A[c],e==7||e==15||e==33)||(d=a.A[c],d==8||d==16||d==34||d==52)))&&(a.w[c]=VQ(a.w[c],-6145))}g=false;for(b=0;b<a.d;b++){h=a.c[b]-a.g[b];if(!a.Q&&h>0){if(dR(VQ(a.w[b],h3),0)){k=dR(VQ(a.w[b],K2),896)?3:dR(VQ(a.w[b],K2),384)?2:dR(VQ(a.w[b],128),128)?1:0;i=(n=l1.kk(a,b),n+l1.ik(a,b,n,a.A[b])-l1.kn(a,b));a.q[b]==0&&dR(VQ(a.w[b],M2),0)&&a.A[b]!=6&&++i;l=h;l>3-k&&(l=3-k);l>i+h-k&&(l=i+h-k);if(l>0){m=k==0?0:rR(VQ(a.w[b],K2),l);m=qR(m,g1.bR((l==3?7:h==2?3:1)<<7));a.w[b]=VQ(a.w[b],-1921);a.w[b]=qR(a.w[b],VQ(K2,m))}}for(j=a.g[b];j<a.c[b];j++){f=a.i[b][j];if(a.F[f]==1){a.A[a.f[b][j]]=-1;a.F[f]=512;g=true}}}}g&&l1.hj(a);return g};l1.sm=function sm(a,b){var c,d,e,f;if(a.k[b]==2&&a.g[b]==2&&a.j[b][0]==2){for(e=0;e<2;e++){c=l1.xm(a,b,a.f[b][e]);if(c!=-1){for(f=0;f<a.g[c];f++){d=a.i[c][f];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==c&&(a.F[a.i[c][f]]=1)}}}return}if(a.k[b]==0||a.A[b]>=15){for(e=0;e<a.c[b];e++){d=a.i[b][e];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==b&&a.B[0][d]==b&&(a.F[d]=1)}}};l1.tm=function tm(a,b,c,d,e){var f,g,h,i,j,k,l,m;l1.Ys(a,d?7:1);b.t=null;a.I&&l1.Hl(b,true);i=c.length;e==null&&(e=cM(g1.xN,e2,5,i,15,1));b.o=0;for(f=0;f<i;f++){if(c[f]){e[f]=l1.ij(a,b,f,0,0);if(a.A[f]==1){m=l1.kn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.f[f][l]]){l1.al(b,e[f],m);break}}}}}else{e[f]=-1}}k=cM(g1.xN,e2,5,a.p,15,1);m1.OZ(k,k.length,-1);b.p=0;for(j=0;j<a.p;j++){g=a.B[0][j];h=a.B[1][j];if(g<i&&h<i){if(c[g]&&c[h])k[j]=l1.jj(a,b,j,0,0,e==null?a.B[0][j]:e[a.B[0][j]],e==null?a.B[1][j]:e[a.B[1][j]],d);else if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){c[g]&&(b.q[e[g]]+=a.q[g]<0?1:-1);c[h]&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}l1.mj(a,b);!!a.b&&(b.R=0);b.R=0;l1.Yk(b,1);l1.Yk(b,2);b.o!=i&&l1.Hl(b,true);l1.go(a,b,i,e,k);l1.fo(a,b,i,e);d&&l1._d(new l1.je(b),null,false)};l1.um=function um(a,b,c,d,e){var f,g,h,i,j,k,l,m;l1.Ys(a,d?7:1);b.t=null;a.I&&l1.Hl(b,true);e==null&&(e=cM(g1.xN,e2,5,a.o,15,1));b.o=0;for(f=0;f<a.o;f++){e[f]=-1;for(k=0;k<a.g[f];k++){if(c[a.i[f][k]]){e[f]=l1.ij(a,b,f,0,0);if(a.A[f]==1){m=l1.kn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.i[f][l]]){l1.al(b,e[f],m);break}}}}break}}}j=cM(g1.xN,e2,5,a.p,15,1);b.p=0;for(i=0;i<a.p;i++)if(c[i]){j[i]=l1.jj(a,b,i,0,0,e==null?a.B[0][i]:e[a.B[0][i]],e==null?a.B[1][i]:e[a.B[1][i]],d)}else{j[i]=-1;g=a.B[0][i];h=a.B[1][i];if(e[g]==-1^e[h]==-1){if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){e[g]!=-1&&(b.q[e[g]]+=a.q[g]<0?1:-1);e[h]!=-1&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}l1.mj(a,b);!!a.b&&(b.R=0);b.R=0;l1.Yk(b,1);l1.Yk(b,2);b.o!=a.o&&l1.Hl(b,true);l1.go(a,b,a.o,e,j);l1.fo(a,b,a.o,e);d&&l1._d(new l1.je(b),null,false);return e};l1.vm=function vm(a,b){var c,d,e,f,g,h,i,j,k,l;if((b&~a.R)==0)return;if((a.R&1)==0){l1.Bn(a);l1.pm(a);a.R|=1;if(l1.rm(a)){l1.Bn(a);l1.pm(a)}}if((b&~a.R)==0)return;if((a.R&-7)!=0){for(d=0;d<a.d;d++)a.s[d]&=-15369;for(f=0;f<a.e;f++)a.C[f]&=-705;if((b&4)==0){l1.Am(a,1);a.R|=2;return}l1.Am(a,7);for(e=0;e<a.d;e++){for(k=0;k<a.g[e];k++){i=a.i[e][k];if(i<a.e&&l1.Hq(a.n,i))continue;h=a.f[e][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]==i)continue;a.j[h][l]>1&&(a.A[a.f[h][l]]==6?(a.s[e]|=G2):!l1.In(a,a.i[h][l])&&l1.Ck(a,a.f[h][l])&&(a.s[e]|=g3))}}}while(true){j=false;for(c=0;c<a.d;c++){if(a.k[c]>0&&(a.s[c]&g3)!=0&&!l1.Gq(a.n,c)){for(k=0;k<a.g[c];k++){if(a.j[c][k]>1){h=a.f[c][k];i=a.i[c][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]!=i){g=a.f[h][l];if((a.s[g]&g3)==0){a.s[g]|=g3;j=true}}}}}}}if(!j)break}}a.R|=6};l1.wm=function wm(a,b){var c,d,e,f,g;c=-1;if(a.k[b]==1){for(f=0;f<a.g[b];f++){if(a.j[b][f]==2){d=a.f[b][f];if(a.g[d]==2&&a.k[d]==2){for(g=0;g<2;g++){e=a.f[d][g];if(e!=b&&a.k[e]==1){c=d;break}}}break}}}return c};l1.xm=function xm(a,b,c){var d,e;d=b;while(a.g[c]==2&&a.k[c]==2&&c!=d){e=c;c=a.f[c][0]==b?a.f[c][1]:a.f[c][0];b=e}return c==d?-1:c};l1.ym=function ym(a,b){var c;if(a.g[b]==3&&b<a.d&&l1.Gq(a.n,b)&&(!!a.n&&b<a.d?l1.vq(a.n,b):0)>=5)for(c=0;c<a.g[b];c++)if(l1.Jn(a,a.i[b][c]))return a.i[b][c];return -1};l1.zm=function zm(a,b,c,d,e){var f,g,h,i,j,k;l1.Ys(a,7);if((a.s[b]&V3)==0||c&&!(b<a.d&&l1.Gq(a.n,b)))return;i=cM(g1.xN,e2,5,a.d,15,1);i[0]=b;d[b]=true;h=0;j=0;while(h<=j){for(k=0;k<a.g[i[h]];k++){g=a.i[i[h]][k];if(!e[g]&&(a.C[g]&64)!=0&&(!c||g<a.e&&l1.Hq(a.n,g))){e[g]=true;f=a.f[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};l1.Am=function Am(a,b){var c,d,e,f,g,h,i,j;a.n=new l1.Uq(a,b);d=cM(g1.xN,e2,5,a.d,15,1);for(e=0;e<a.e;e++){if(l1.xq(a.n,e)!=0){a.C[e]|=64;++d[a.B[0][e]];++d[a.B[1][e]]}}for(c=0;c<a.d;c++){d[c]==2?(a.s[c]|=L2):d[c]==3?(a.s[c]|=h3):d[c]>3&&(a.s[c]|=V3)}for(j=0;j<a.n.i.a.length;j++){g=l1.zq(a.n,j);i=l1.Aq(a.n,j);h=g.length;for(f=0;f<h;f++){a.s[g[f]]|=8;a.C[i[f]]|=128;a.F[i[f]]==386&&(a.F[i[f]]=2)}}};l1.Bm=function Bm(a){var b,c,d,e,f,g,h,i;h=cM(g1.OQ,y2,5,a.o,16,1);for(c=0;c<a.o;c++)h[c]=a.A[c]==1&&a.v[c]==0&&a.q[c]==0&&(a.s[c]&J3)==0&&(a.r==null||a.r[c]==null);i=cM(g1.OQ,y2,5,a.o,16,1);for(g=0;g<a.p;g++){d=a.B[0][g];e=a.B[1][g];if(l1.ak(a,g)!=1){h[d]=false;h[e]=false;continue}i[d]&&(h[d]=false);i[e]&&(h[e]=false);h[d]&&l1.Fk(a,e)&&a.A[e]!=13&&(h[d]=false);h[e]&&l1.Fk(a,d)&&a.A[d]!=13&&(h[e]=false);i[d]=true;i[e]=true}for(f=0;f<a.p;f++){if(h[a.B[0][f]]&&h[a.B[1][f]]){h[a.B[0][f]]=false;h[a.B[1][f]]=false}}for(b=0;b<a.o;b++)i[b]||(h[b]=false);return h};l1.Cm=function Cm(a,b){return a.c[b]};l1.Dm=function Dm(a,b){return 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;l1.sm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){l1.ho(a,b);return}if(a.g[b]<3||a.g[b]>4){l1.nl(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(l1.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=l1.vn(a,b);d=cM(g1.vN,i3,5,c,15,1);for(h=0;h<c;h++)d[h]=l1.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&l1.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?l1.vq(a.n,b):0)<=24&&l1.io(a,b,p,d))return;m=l1.co(a,b,true);if(m==-1)return;if(a.B[0][m]!=b){a.B[1][m]=a.B[0][m];a.B[0][m]=b}n=-1;for(j=0;j<c;j++){if(m==a.i[b][p[j]]){n=j;break}}q=kM(YL(g1.xN,2),w3,6,0,[kM(YL(g1.xN,1),e2,5,15,[2,1,2,1]),kM(YL(g1.xN,1),e2,5,15,[1,2,2,1]),kM(YL(g1.xN,1),e2,5,15,[1,1,2,2]),kM(YL(g1.xN,1),e2,5,15,[2,1,1,2]),kM(YL(g1.xN,1),e2,5,15,[2,2,1,1]),kM(YL(g1.xN,1),e2,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=C2);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<D2||d[1]>d[2]&&d[1]-d[2]>D2;break;case 1:k=d[2]-d[0]>D2;break;case 2:k=d[1]-d[0]<D2;}e=(a.s[b]&3)==1^k?257:129}else{l=0;d[1]<=d[2]&&d[2]<=d[3]?(l=0):d[1]<=d[3]&&d[3]<=d[2]?(l=1):d[2]<=d[1]&&d[1]<=d[3]?(l=2):d[2]<=d[3]&&d[3]<=d[1]?(l=3):d[3]<=d[1]&&d[1]<=d[2]?(l=4):d[3]<=d[2]&&d[2]<=d[1]&&(l=5);e=(a.s[b]&3)==1^q[l][n]==1?129:257}a.F[m]=e};l1.lo=function lo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if((a.C[b]&3)==0||(a.C[b]&3)==3||!l1.Jn(a,b))return;v=-1;t=-1;u=-1;s=-1;e=0;for(l=0;l<2;l++){d=a.B[l][b];for(o=0;o<a.c[d];o++){h=a.i[d][o];if(h!=b&&l1.ak(a,h)==1){g=a.f[d][o];w=l1.xn(a,h,g);if(e<w){e=w;t=g;v=h;u=d;s=a.B[1-l][b]}}}}if(t==-1)return;for(m=0;m<2;m++){for(o=0;o<a.c[a.B[m][b]];o++){h=a.i[a.B[m][b]][o];h!=b&&l1.ak(a,h)==1&&(a.F[h]=1)}}if(a.B[1][v]!=t){a.B[0][v]=a.B[1][v];a.B[1][v]=t}i=P1;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=cM(g1.xN,e2,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=l1.fm(a.H[u].a,a.H[u].b,a.H[s].a,a.H[s].b);c=0;if(r==2){if(q[0]>q[1]){A=q[0];q[0]=q[1];q[1]=A}j=l1.gm(f,l1.Tj(a,s,q[0]));p=l1.gm(f,l1.Tj(a,s,q[1]));c=j-p}else{c=l1.gm(f,l1.Tj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};l1.mo=function mo(a){var b,c,d,e;l1.Ys(a,7);for(d=0;d<a.e;d++)(a.F[d]==257||a.F[d]==129)&&(a.F[d]=1);for(b=0;b<a.d;b++)l1.ko(a,b);for(e=0;e<a.e;e++)l1.lo(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};l1.no=function no(b,c){var d,e,f,g,h,i,j,k,l,m;i=cM(g1.xN,e2,5,b.o,15,1);h=l1.$m(b,i,false,c);if(h<=1)return null;j=cM(g1.xN,e2,5,h,15,1);for(e=0;e<b.d;e++)++j[i[e]];l=0;m=j[0];for(k=1;k<h;k++){if(m<j[k]){m=j[k];l=k}}for(d=0;d<b.o;d++)i[d]!=l&&(b.A[d]=-1);for(g=0;g<b.p;g++)(!c&&b.F[g]==32||i[b.B[0][g]]!=l)&&(b.F[g]=512);f=l1.hj(b);b.R=0;try{l1.qm(b,true,true)}catch(a){a=SQ(a);if(!jN(a,13))throw TQ(a)}return f};l1.oo=function oo(a,b){if((a.s[b]&J3)!=0)return true;if(a.A[b]==1)return false;return l1.Hk(a,b)||a.A[b]==13||a.A[b]>=171};l1.po=function po(a){var b,c,d,e,f,g,h,i,j,k;f=l1.Rj(a,a.o,a.p,l1.Qi);g=f*f/16;for(d=1;d<a.o;d++){for(e=0;e<d;e++){i=a.H[e].a-a.H[d].a;j=a.H[e].b-a.H[d].b;k=a.H[e].c-a.H[d].c;if(i*i+j*j+k*k<g)throw TQ(new h1.VJ('The distance between two atoms is too close.'))}}l1.Ys(a,1);b=0;for(c=0;c<a.d;c++){if(l1.kn(a,c)>(h=l1.kk(a,c),h+l1.ik(a,c,h,a.A[c])))throw TQ(new h1.VJ('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw TQ(new h1.VJ('unbalanced atom charge'))};l1.qo=function qo(a){var b,c;if(!a.I)return;l1.Ys(a,7);for(b=0;b<a.d;b++){if((a.s[b]&V3)!=0){dR(VQ(a.w[b],120),8)&&(a.w[b]=VQ(a.w[b],-9));a.w[b]=VQ(a.w[b],-4294967297)}b<a.d&&l1.Gq(a.n,b)?(a.w[b]=VQ(a.w[b],{l:4194297,m:U3,h:1048571})):oR(VQ(a.w[b],2),0)&&(a.w[b]=VQ(a.w[b],-5));(oR(VQ(a.w[b],e3),0)||oR(VQ(a.w[b],i2),0)&&dR(VQ(a.w[b],j2),0))&&dR(VQ(a.w[b],120),8)&&(a.w[b]=VQ(a.w[b],-9));a.q[b]!=0&&(a.w[b]=VQ(a.w[b],-234881025));if(l1.kn(a,b)==(c=l1.kk(a,b),c+l1.ik(a,b,c,a.A[b]))){a.w[b]=VQ(a.w[b],-4063233);a.w[b]=VQ(a.w[b],-17042430230529);a.w[b]=VQ(a.w[b],-1921);a.w[b]=VQ(a.w[b],-114689)}}};l1.ro=function ro(a){var b,c;if(!a.I)return;l1.Ys(a,7);for(b=0;b<a.e;b++){b<a.e&&(l1.Lq(a.n,b)||a.F[b]==64)&&(a.D[b]&=-9);c=a.F[b]&127;c==1?(a.D[b]&=-2):c==2?(a.D[b]&=-3):c==4?(a.D[b]&=-5):c==8?(a.D[b]&=-33):c==16?(a.D[b]&=-65):c==32?(a.D[b]&=-17):c==64&&(a.D[b]&=-9)}};l1.so=function so(a,b,c){var d;d=l1.Vl(a,b,c);if(d&&c==386){l1.Ys(a,7);d=d&(a.C[b]&128)==0}return d};l1.to=function to(){l1.Yl.call(this)};l1.uo=function uo(a,b){l1.Zl.call(this,a,b)};l1.vo=function vo(a){l1.Zl.call(this,!a?256:a.K,!a?256:a.L);!!a&&l1.lj(a,this)};JR(71,63,{71:1,63:1,4:1});_.wb=function wo(a){l1.vm(this,a)};_.vb=function xo(a){return l1.Mn(this,a)};_.d=0;_.e=0;g1.UN=aT(71);l1.yo=function yo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};l1.zo=function zo(a,b){var c,d;c=b;d=0;while(b!=0){if(a.d==0){a.f=(a.c[++a.e]&63)<<11;a.d=6}d|=(X1&a.f)>>16-c+b;a.f<<=1;--b;--a.d}return d};l1.Ao=function Ao(a,b,c){a.d=6;a.e=c;a.c=b;a.f=(b[a.e]&63)<<11};l1.Bo=function Bo(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32|0;c=f*a/(d-a);return e?-c:c};l1.Co=function Co(a,b){var c;return b==null||k1.b1(b).length==0?null:l1.Eo(a,k1.H0((c=b,E1.AX(),c)),null)};l1.Do=function Do(a,b,c){var d,e;return b==null?null:l1.Eo(a,k1.H0((e=b,E1.AX(),e)),c==null?null:k1.H0((d=c,d)))};l1.Eo=function Eo(a,b,c){var d,e,f,g,h;l1.Ao(a,b,0);d=l1.zo(a,4);g=l1.zo(a,4);d>8&&(d=g);e=l1.zo(a,d);f=l1.zo(a,g);h=new l1.ot(e,f);l1.Fo(a,h,b,c,0);return h};l1.Fo=function Fo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,Vb,Wb,Xb,Yb,Zb,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac;l1.gj(c);c.b=null;if(0>=d.length)return;b.g=c;uc=8;e!=null&&(f<0||f>=e.length)&&(e=null);l1.Ao(b,d,0);i=l1.zo(b,4);B=l1.zo(b,4);if(i>8){uc=i;i=B}if(i==0){l1.Hl(b.g,l1.zo(b,1)==1);return}j=l1.zo(b,i);k=l1.zo(b,B);ic=l1.zo(b,i);mc=l1.zo(b,i);lc=l1.zo(b,i);O=l1.zo(b,i);for(o=0;o<j;o++)l1.Ti(b.g,6);for(kb=0;kb<ic;kb++)l1.vl(b.g,l1.zo(b,i),7);for(lb=0;lb<mc;lb++)l1.vl(b.g,l1.zo(b,i),8);for(wb=0;wb<lc;wb++)l1.vl(b.g,l1.zo(b,i),l1.zo(b,8));for(Hb=0;Hb<O;Hb++)l1.cl(b.g,l1.zo(b,i),l1.zo(b,4)-8);P=1+k-j;V=l1.zo(b,4);A=0;l1.sl(b.g,0,0);l1.tl(b.g,0,0);l1.ul(b.g,0,0);W=e!=null&&e[f]>=39;tc=0;wc=0;yc=0;Ac=0;R=false;S=false;if(W){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){S=true;R=e.length==3*j-3+9;_b=R?3*j-3:2*j-2;w=86*(e[_b+1]-40)+e[_b+2]-40;tc=$wnd.Math.pow(10,w/2000-1);_b+=2;vc=86*(e[_b+1]-40)+e[_b+2]-40;wc=$wnd.Math.pow(10,vc/1500-1);_b+=2;xc=86*(e[_b+1]-40)+e[_b+2]-40;yc=$wnd.Math.pow(10,xc/1500-1);if(R){_b+=2;zc=86*(e[_b+1]-40)+e[_b+2]-40;Ac=$wnd.Math.pow(10,zc/1500-1)}}else{R=e.length==3*j-3}}if(b.xb()&&R){e=null;W=false}for(Sb=1;Sb<j;Sb++){X=l1.zo(b,V);if(X==0){if(W){l1.sl(b.g,Sb,l1.Mj(b.g,0)+8*(e[Sb*2-2]-83));l1.tl(b.g,Sb,l1.Nj(b.g,0)+8*(e[Sb*2-1]-83));R&&l1.ul(b.g,Sb,l1.Oj(b.g,0)+8*(e[2*j-3+Sb]-83))}++P;continue}A+=X-1;if(W){l1.sl(b.g,Sb,l1.Mj(b.g,A)+e[Sb*2-2]-83);l1.tl(b.g,Sb,l1.Nj(b.g,A)+e[Sb*2-1]-83);R&&l1.ul(b.g,Sb,l1.Oj(b.g,A)+(e[2*j-3+Sb]-83))}l1.Vi(b.g,A,Sb,1)}for(Wb=0;Wb<P;Wb++)l1.Vi(b.g,l1.zo(b,i),l1.zo(b,i),1);ac=cM(g1.OQ,y2,5,k,16,1);for(I=0;I<k;I++){J=l1.zo(b,2);switch(J){case 0:ac[I]=true;break;case 2:l1.Fl(b.g,I,2);break;case 3:l1.Fl(b.g,I,4);}}h=l1.zo(b,i);for(Xb=0;Xb<h;Xb++){n=l1.zo(b,i);if(uc==8){nc=l1.zo(b,2);if(nc==3){l1.hl(b.g,n,1,0);l1.nl(b.g,n,1,false)}else{l1.nl(b.g,n,nc,false)}}else{nc=l1.zo(b,3);switch(nc){case 4:l1.nl(b.g,n,1,false);l1.hl(b.g,n,1,l1.zo(b,3));break;case 5:l1.nl(b.g,n,2,false);l1.hl(b.g,n,1,l1.zo(b,3));break;case 6:l1.nl(b.g,n,1,false);l1.hl(b.g,n,2,l1.zo(b,3));break;case 7:l1.nl(b.g,n,2,false);l1.hl(b.g,n,2,l1.zo(b,3));break;default:l1.nl(b.g,n,nc,false);}}}uc==8&&l1.zo(b,1)==0&&(b.g.J=true);g=l1.zo(b,B);for(Yb=0;Yb<g;Yb++){D=l1.zo(b,B);if(l1.dk(b.g,D)==1){nc=l1.zo(b,3);switch(nc){case 4:l1.Cl(b.g,D,1,false);l1.zl(b.g,D,1,l1.zo(b,3));break;case 5:l1.Cl(b.g,D,2,false);l1.zl(b.g,D,1,l1.zo(b,3));break;case 6:l1.Cl(b.g,D,1,false);l1.zl(b.g,D,2,l1.zo(b,3));break;case 7:l1.Cl(b.g,D,2,false);l1.zl(b.g,D,2,l1.zo(b,3));break;default:l1.Cl(b.g,D,nc,false);}}else{l1.Cl(b.g,D,l1.zo(b,2),false)}}l1.Hl(b.g,l1.zo(b,1)==1);m=null;kc=0;while(l1.zo(b,1)==1){U=kc+l1.zo(b,4);switch(U){case 0:jc=l1.zo(b,i);for(Zb=0;Zb<jc;Zb++){n=l1.zo(b,i);l1.ol(b.g,n,h3,true)}break;case 1:jc=l1.zo(b,i);for($b=0;$b<jc;$b++){n=l1.zo(b,i);gc=l1.zo(b,8);l1.ml(b.g,n,gc)}break;case 2:jc=l1.zo(b,B);for(mb=0;mb<jc;mb++){l1.zo(b,B)}break;case 3:jc=l1.zo(b,i);for(nb=0;nb<jc;nb++){n=l1.zo(b,i);l1.ol(b.g,n,G2,true)}break;case 4:jc=l1.zo(b,i);for(ob=0;ob<jc;ob++){n=l1.zo(b,i);rc=rR(fR(l1.zo(b,4)),3);l1.ol(b.g,n,rc,true)}break;case 5:jc=l1.zo(b,i);for(pb=0;pb<jc;pb++){n=l1.zo(b,i);l=rR(fR(l1.zo(b,2)),1);l1.ol(b.g,n,l,true)}break;case 6:jc=l1.zo(b,i);for(qb=0;qb<jc;qb++){n=l1.zo(b,i);l1.ol(b.g,n,1,true)}break;case 7:jc=l1.zo(b,i);for(rb=0;rb<jc;rb++){n=l1.zo(b,i);hb=rR(fR(l1.zo(b,4)),7);l1.ol(b.g,n,hb,true)}break;case 8:jc=l1.zo(b,i);for(sb=0;sb<jc;sb++){n=l1.zo(b,i);t=l1.zo(b,4);r=cM(g1.xN,e2,5,t,15,1);for(bc=0;bc<t;bc++){s=l1.zo(b,8);r[bc]=s}l1.il(b.g,n,r)}break;case 9:jc=l1.zo(b,B);for(tb=0;tb<jc;tb++){D=l1.zo(b,B);rc=l1.zo(b,2)<<7;l1.El(b.g,D,rc,true)}break;case 10:jc=l1.zo(b,B);for(ub=0;ub<jc;ub++){D=l1.zo(b,B);L=l1.zo(b,5);l1.El(b.g,D,L,true)}break;case 11:jc=l1.zo(b,i);for(vb=0;vb<jc;vb++){n=l1.zo(b,i);l1.ol(b.g,n,g3,true)}break;case 12:jc=l1.zo(b,B);for(xb=0;xb<jc;xb++){D=l1.zo(b,B);M=l1.zo(b,8)<<9;l1.El(b.g,D,M,true)}break;case 13:jc=l1.zo(b,i);for(yb=0;yb<jc;yb++){n=l1.zo(b,i);oc=rR(fR(l1.zo(b,3)),14);l1.ol(b.g,n,oc,true)}break;case 14:jc=l1.zo(b,i);for(zb=0;zb<jc;zb++){n=l1.zo(b,i);hc=rR(fR(l1.zo(b,5)),17);l1.ol(b.g,n,hc,true)}break;case 15:case 31:kc+=16;break;case 16:jc=l1.zo(b,i);for(Ab=0;Ab<jc;Ab++){n=l1.zo(b,i);qc=rR(fR(l1.zo(b,3)),22);l1.ol(b.g,n,qc,true)}break;case 17:jc=l1.zo(b,i);for(Bb=0;Bb<jc;Bb++){n=l1.zo(b,i);l1.al(b.g,n,l1.zo(b,4))}break;case 18:jc=l1.zo(b,i);fc=l1.zo(b,4);for(Cb=0;Cb<jc;Cb++){n=l1.zo(b,i);T=l1.zo(b,fc);cc=cM(g1.tN,z3,5,T,15,1);for(bc=0;bc<T;bc++)cc[bc]=l1.zo(b,7)<<24>>24;l1.fl(b.g,n,h1.vU((dc=cc,E1.AX(),dc)))}break;case 19:jc=l1.zo(b,i);for(Db=0;Db<jc;Db++){n=l1.zo(b,i);N=rR(fR(l1.zo(b,3)),25);l1.ol(b.g,n,N,true)}break;case 20:jc=l1.zo(b,B);for(Eb=0;Eb<jc;Eb++){D=l1.zo(b,B);qc=l1.zo(b,3)<<17;l1.El(b.g,D,qc,true)}break;case 21:jc=l1.zo(b,i);for(Fb=0;Fb<jc;Fb++){n=l1.zo(b,i);l1.pl(b.g,n,l1.zo(b,2)<<4)}break;case 22:jc=l1.zo(b,i);for(Gb=0;Gb<jc;Gb++){n=l1.zo(b,i);l1.ol(b.g,n,f3,true)}break;case 23:jc=l1.zo(b,B);for(Ib=0;Ib<jc;Ib++){D=l1.zo(b,B);l1.El(b.g,D,C3,true)}break;case 24:jc=l1.zo(b,B);for(Jb=0;Jb<jc;Jb++){D=l1.zo(b,B);l=l1.zo(b,2)<<21;l1.El(b.g,D,l,true)}break;case 25:for(Kb=0;Kb<j;Kb++)l1.zo(b,1)==1&&l1.ql(b.g,Kb,true);break;case 26:jc=l1.zo(b,B);m=cM(g1.xN,e2,5,jc,15,1);for(Lb=0;Lb<jc;Lb++)m[Lb]=l1.zo(b,B);break;case 27:jc=l1.zo(b,i);for(Mb=0;Mb<jc;Mb++){n=l1.zo(b,i);l1.ol(b.g,n,z2,true)}break;case 28:jc=l1.zo(b,B);for(Nb=0;Nb<jc;Nb++)l1.Fl(b.g,l1.zo(b,B),32);break;case 29:jc=l1.zo(b,i);for(Ob=0;Ob<jc;Ob++){n=l1.zo(b,i);gb=rR(fR(l1.zo(b,2)),30);l1.ol(b.g,n,gb,true)}break;case 30:jc=l1.zo(b,i);for(Pb=0;Pb<jc;Pb++){n=l1.zo(b,i);qc=rR(fR(l1.zo(b,7)),32);l1.ol(b.g,n,qc,true)}break;case 32:jc=l1.zo(b,i);for(Qb=0;Qb<jc;Qb++){n=l1.zo(b,i);sc=rR(fR(l1.zo(b,2)),44);l1.ol(b.g,n,sc,true)}break;case 33:jc=l1.zo(b,i);for(Rb=0;Rb<jc;Rb++){n=l1.zo(b,i);bb=rR(fR(l1.zo(b,5)),39);l1.ol(b.g,n,bb,true)}break;case 34:jc=l1.zo(b,i);for(Tb=0;Tb<jc;Tb++){n=l1.zo(b,i);l1.ol(b.g,n,J2,true)}break;case 35:jc=l1.zo(b,B);for(Ub=0;Ub<jc;Ub++){D=l1.zo(b,B);l1.El(b.g,D,F3,true)}break;case 36:jc=l1.zo(b,B);for(Vb=0;Vb<jc;Vb++){D=l1.zo(b,B);K=l1.zo(b,2)<<5;l1.El(b.g,D,K,true)}break;case 37:jc=l1.zo(b,B);for(jb=0;jb<jc;jb++){D=l1.zo(b,B);K=l1.zo(b,1)==0?8:16;l1.Fl(b.g,D,K)}}}l1._d(new l1.je(b.g),ac,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];l1.Fl(b.g,D,l1.dk(b.g,D)==2?4:2)}if(e==null&&!b.i&&d.length>b.e+1&&(d[b.e+1]==32||d[b.e+1]==9)){e=d;f=b.e+2}if(e!=null){try{if(e[f]==33||e[f]==35){l1.Ao(b,e,f+1);R=l1.zo(b,1)==1;S=l1.zo(b,1)==1;pc=2*l1.zo(b,4);C=1<<pc;eb=0;D=0;for(p=1;p<j;p++){if(D<k&&l1.Uj(b.g,1,D)==p){eb=l1.Uj(b.g,0,D++);db=1}else{eb=0;db=8}l1.sl(b.g,p,l1.Mj(b.g,eb)+db*(l1.zo(b,pc)-(C/2|0)));l1.tl(b.g,p,l1.Nj(b.g,eb)+db*(l1.zo(b,pc)-(C/2|0)));R&&l1.ul(b.g,p,l1.Oj(b.g,eb)+db*(l1.zo(b,pc)-(C/2|0)))}if(e[f]==35){ib=0;fb=cM(g1.xN,e2,5,j,15,1);for(q=0;q<j;q++)ib+=fb[q]=l1.dn(b.g,q);for(n=0;n<j;n++){for(jb=0;jb<fb[n];jb++){hb=l1.Ti(b.g,1);l1.Vi(b.g,n,hb,1);l1.sl(b.g,hb,l1.Mj(b.g,n)+(l1.zo(b,pc)-(C/2|0)));l1.tl(b.g,hb,l1.Nj(b.g,n)+(l1.zo(b,pc)-(C/2|0)));R&&l1.ul(b.g,hb,l1.Oj(b.g,n)+(l1.zo(b,pc)-(C/2|0)))}}j+=ib;k+=ib}v=R?1.5:(l1.Ri(),l1.Ri(),l1.Qi);u=l1.Rj(b.g,j,k,v);if(S){tc=l1.yo(l1.zo(b,pc),C);wc=tc*l1.Bo(l1.zo(b,pc),C);yc=tc*l1.Bo(l1.zo(b,pc),C);R&&(Ac=tc*l1.Bo(l1.zo(b,pc),C));db=tc/u;for(n=0;n<j;n++){l1.sl(b.g,n,wc+db*l1.Mj(b.g,n));l1.tl(b.g,n,yc+db*l1.Nj(b.g,n));R&&l1.ul(b.g,n,Ac+db*l1.Oj(b.g,n))}}else{tc=1.5;db=tc/u;for(n=0;n<j;n++){l1.sl(b.g,n,db*l1.Mj(b.g,n));l1.tl(b.g,n,db*l1.Nj(b.g,n));R&&l1.ul(b.g,n,db*l1.Oj(b.g,n))}}}else{R&&!S&&tc==0&&(tc=1.5);if(tc!=0&&b.g.p!=0){u=0;for(D=0;D<b.g.p;D++){Y=l1.Mj(b.g,l1.Uj(b.g,0,D))-l1.Mj(b.g,l1.Uj(b.g,1,D));Z=l1.Nj(b.g,l1.Uj(b.g,0,D))-l1.Nj(b.g,l1.Uj(b.g,1,D));$=R?l1.Oj(b.g,l1.Uj(b.g,0,D))-l1.Oj(b.g,l1.Uj(b.g,1,D)):0;u+=$wnd.Math.sqrt(Y*Y+Z*Z+$*$)}u/=b.g.p;cb=tc/u;for(n=0;n<b.g.o;n++){l1.sl(b.g,n,l1.Mj(b.g,n)*cb+wc);l1.tl(b.g,n,l1.Nj(b.g,n)*cb+yc);R&&l1.ul(b.g,n,l1.Oj(b.g,n)*cb+Ac)}}}}catch(a){a=SQ(a);if(jN(a,13)){ab=a;h1.DJ(ab,(h1.fV(),h1.eV),'');'Faulty id-coordinates:'+ab+' '+h1.vU((ec=d,E1.AX(),ec))+' '+h1.vU((dc=e,dc));String.fromCharCode(10);e=null;R=false}else throw TQ(a)}}Q=e!=null&&!R;if(Q||b.xb()){l1.Ys(b.g,7);for(D=0;D<b.g.e;D++)l1.ak(b.g,D)==2&&!l1.Yn(b.g,D)&&l1.bk(b.g,D)==0&&l1.Dl(b.g,D)}l1.jo(b.g,0);if(!Q&&b.xb()){try{b.yb(b.g);Q=true}catch(a){a=SQ(a);if(jN(a,13)){ab=a;h1.DJ(ab,(h1.fV(),h1.eV),'');'2D-coordinate creation failed:'+ab+' '+h1.vU((dc=d,E1.AX(),dc));String.fromCharCode(10)}else throw TQ(a)}}if(Q){l1.mo(b.g);l1.jt(b.g)}else R||l1.jo(b.g,0)};l1.Go=function Go(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;l1.Ao(a,b,0);h=l1.zo(a,4);e=l1.zo(a,1)==1;f=l1.zo(a,1)==1;for(c=0;c<a.g.d;c++){g=l1.zo(a,h);d=e;e&&f&&(d=l1.zo(a,1)==1);l1.kl(a.g,c,g,d)}};l1.Ho=function Ho(){};JR(158,1,{},l1.Ho);_.xb=function Io(){return false};_.yb=function Jo(a){throw TQ(new h1.VJ('Unexpected request to invent coordinates. 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e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=oR(VQ(l1.Kj(a.k,e),1),0);f=l1.Fj(a.k,e);l=f!=null?l1.Vo(a,e,f,d):j?'*':l1.Ej(a.k,e);!j&&f==null&&l1.Hn(a.k,e)&&(a.j&4)==0&&(l1.Hm(a.k,e)!=0||l1.wj(a.k,e)==-1&&l1.Lj(a.k,e)==0)&&(l=k1.b1(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&l1.So(a,l1.Om(a.k,b.a,b.g),b.g,c);g=l1.yj(a.k,e);if(g==0&&(a.j&1)!=0){h=VQ(l1.Kj(a.k,e),M2);$Q(h,P2)==0?(g=-1):$Q(h,O2)==0&&(g=1)}k=l1.Ij(a.k,e);m=(a.j&2)!=0?l1.Hj(a.k,e):0;o=(a.j&1)!=0?l1._o(a,e,d):null;r=!j&&!l1.gp(l1.Pj(a.k,e))||f!=null||(l1.Jj(a.k,e)==1||l1.Jj(a.k,e)==2)&&(q=l1.Dj(a.k,e)-1,!(q!=-1&&a.i[q][l1.Cj(a.k,e)]<=1))&&(l1.Pj(a.k,e)!=7||l1.yj(a.k,e)>0)||l1.Hn(a.k,e)&&l1.Hm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||l1.wj(a.k,e)!=-1||l1.Lj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(l1.Jj(a.k,e)==1||l1.Jj(a.k,e)==2)&&(p=l1.Dj(a.k,e)-1,!(p!=-1&&a.i[p][l1.Cj(a.k,e)]<=1))&&(l1.Pj(a.k,e)!=7||l1.yj(a.k,e)>0)&&h1.ZU(c,l1.$o(a,e,n));if((a.j&1)==0&&r){i=l1.qn(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&h1.WU(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);l1.To(a,b,c);b.e&&(c.a+=')',c)};l1.Po=function Po(a,b,c){var d,e,f,g,h;f=true;h=m1.Xh(a.g,b).a;g=l1.cp(a,h);while(g!=-1){d=l1.Qm(a.k,h,g);e=l1.Sm(a.k,h,g);g=l1.cp(a,d);l1.Ro(a,new l1.gs(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};l1.Qo=function Qo(a,b,c){var d,e,f,g;for(e=b,f=0,g=e.length;f<g;++f){d=e[f];a.f[d&1073741823]=(d&Y3)!=0^c?2:1}};l1.Ro=function Ro(a,b,c){m1.Rh(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[l1.Om(a.k,b.a,b.g)]=true)};l1.So=function So(a,b,c,d){var e,f,g,h,i;i=k1.b1(d.a).length;a.f[b]!=0&&h1.VU(d,a.f[b]==1?47:92);if(a.j==1){f=l1.ck(a.k,127);if(f!=0){(f&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((f&2)!=0){k1.b1(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((f&4)!=0){k1.b1(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((f&8)!=0){k1.b1(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&16)!=0){k1.b1(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&64)!=0){k1.b1(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((f&32)!=0){k1.b1(d.a).length!=i&&(d.a+=',',d);h1.ZU(d,l1.Fk(a.k,c)?'<-':'->')}}}if(i==k1.b1(d.a).length&&(!l1.In(a.k,b)||(a.j&4)!=0)){e=l1.dk(a.k,b)&127;e==1?l1.Hn(a.k,l1.Uj(a.k,0,b))&&l1.Hn(a.k,l1.Uj(a.k,1,b))&&(a.j&4)==0&&a.f[b]==0&&(d.a+='-',d):e==2?(d.a+='=',d):e==4?(d.a+='#',d):e==8?(d.a+='$',d):e==16?(d.a+='$',d):e==64?(d.a+=':',d):e==32&&h1.ZU(d,l1.Fk(a.k,c)?'<-':'->')}if(a.j==1){g=i==k1.b1(d.a).length?'':';';h=l1.ck(a.k,b)&384;h==256?(d.a+=g+'@',d):h==128&&(d.a+=g+'!@',d)}};l1.To=function To(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<l1.Rm(a.k,b.a);f++){if(b.c[e]==l1.Qm(a.k,b.a,f)){d=l1.Sm(a.k,b.a,f);b.d[e]||l1.So(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);h1.WU(c,a.e[d])}}}}};l1.Uo=function Uo(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O;M=new m1.ki;for(r=new 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83
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d,e,f,g;g=b.length;for(f=0;f<g;f++){d=a.a[b[f]]&Y1;if(d==0||d>g){a.a[b[f]]&=G3;a.a[b[f]]|=g}}for(e=0;e<g;e++){d=a.b[c[e]]&Y1;if(d==0||d>g){a.b[c[e]]&=G3;a.b[c[e]]|=g}}};l1.Tq=function Tq(a,b,c){var d;d=m1.Xh(a.j,b).length;while(c>=d)c-=d;while(c<0)c+=d;return c};l1.Uq=function Uq(a,b){l1.Vq.call(this,a,b)};l1.Vq=function Vq(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;this.g=a;this.f=7;this.i=new m1.ki;this.j=new 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e,f,g,h,i,j,k,l;h=a.e[d];i=h+1;while(i<a.w&&a.f[a.r[i]]==d)++i;for(k=h;k<i;k++)c[k]=-1;g=h;while(true){l=a.t[g]==-1?a.G.d:l1.Dm(a.G,a.F[a.t[g]]);++c[g];if(c[g]==l){c[g]=-1;if(g==h)break;--g;if(!a.s[g]){b[a.F[a.r[g]]]=false;a.F[a.r[g]]=-1}continue}if(a.t[g]==-1){if(!b[c[g]]){if(l1.Yq(a,c[g],a.r[g])){a.F[a.r[g]]=c[g];b[c[g]]=true;++g}}}else{if(l1.Qm(a.G,a.F[a.t[g]],c[g])>=a.G.d){++c[g];continue}f=l1.Qm(a.G,a.F[a.t[g]],c[g]);if(a.s[g]){f==a.F[a.r[g]]&&l1.Zq(a,l1.Sm(a.G,a.F[a.t[g]],c[g]),a.u[g])&&++g}else{if(!b[f]){if(l1.Yq(a,f,a.r[g])&&l1.Zq(a,l1.Sm(a.G,a.F[a.t[g]],c[g]),a.u[g])){b[f]=true;a.F[a.r[g]]=f;++g}}}}if(g==i){if(l1.dr(a,d)&&l1.cr(a,d)&&l1.br(a,b,d)){for(j=h;j<i;j++){if(!a.s[j]){e=a.r[j];b[a.F[e]]=false;a.F[e]=-1}}return true}--g;if(!a.s[g]){b[a.F[a.r[g]]]=false;a.F[a.r[g]]=-1}}}return false};l1.lr=function lr(a){return l1.er(a,1,a.c)>0};l1.mr=function mr(a,b){var c;for(c=0;c<b.length;c++)if(b[c]==a)return true;return false};l1.nr=function nr(a,b){var 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c,d,e,f,g;if(!b||b.o==0||!b.I){a.g=null;return}a.g=b;a.q=false;l1.Ys(a.g,1);a.M=7;for(d=0;d<a.g.d;d++)oR(VQ(l1.Kj(a.g,d),{l:g3,m:0,h:3}),0)&&(a.M=15);for(g=0;g<a.g.e;g++)(l1.ck(a.g,g)&C3)!=0&&(a.M=15);a.K&&a.M!=7&&l1.Ys(a.G,a.M);a.o=0;a.p=0;a.C=cM(g1.OQ,y2,5,a.g.d,16,1);for(e=0;e<a.g.d;e++){a.C[e]=oR(VQ(l1.Kj(a.g,e),z2),0);a.C[e]&&++a.o}a.d=0;a.f=null;if(a.o!=0){if(a.o!=0)for(f=0;f<a.g.e;f++)(a.C[l1.Uj(a.g,0,f)]||a.C[l1.Uj(a.g,1,f)])&&++a.p;for(c=0;c<a.g.o;c++)l1.ll(a.g,c,a.C[c]);a.f=cM(g1.xN,e2,5,a.g.o,15,1);a.d=l1.$m(a.g,a.f,true,false)}};l1.rr=function rr(a,b){if(!b||b.o==0){a.G=null;return}a.G=b;a.K=false;l1.Ys(a.G,1)};l1.sr=function sr(a,b){if(!a.K){l1.vr(a,b);a.K=true}if(!a.q){l1.tr(a,b);l1._q(a);l1.$q(a);a.q=true}};l1.tr=function tr(a,b){var c,d,e,f,g,h,i,j,k,l;f=null;i=null;g=null;l1.Ys(a.g,a.M);a.n=cM(g1.xN,e2,5,a.g.d,15,1);for(d=0;d<a.g.d;d++)a.n[d]=l1.Rm(a.g,d);if(a.o!=0){j=new l1.ot(a.g.o,a.g.p);l=cM(g1.OQ,y2,5,a.g.o,16,1);for(e=0;e<a.g.o;e++)l[e]=!a.C[e];l1.tm(a.g,j,l,true,null);l1.Ys(j,a.M);l1.ur(a,j,b);f=a.i;i=a.k;g=a.j;k=0;for(c=0;c<a.g.d;c++)a.C[c]||(a.n[c]=l1.Rm(j,k++))}l1.ur(a,a.g,b);if(a.o!=0){k=0;for(c=0;c<a.g.o;c++){if(!a.C[c]){a.i[c]=f[k];a.j[c]=g[k++]}}k=0;for(h=0;h<a.g.p;h++){!a.C[l1.Uj(a.g,0,h)]&&!a.C[l1.Uj(a.g,1,h)]&&(a.k[h]=i[k++])}}};l1.ur=function ur(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;p=b.d;a.i=cM(g1.yN,y3,5,b.d,14,1);a.j=cM(g1.xN,e2,5,b.d,15,1);for(h=0;h<p;h++){a.i[h]=zR(VQ(qR(l1.fr(b,h),b.w[h]),p4),q4);a.j[h]=b.A[h];(c&1)!=0&&(a.j[h]+=b.q[h]+16<<8);(c&2)!=0&&(a.j[h]+=b.v[h]<<16)}a.A=cM(g1.yN,y3,5,b.d,14,1);r=(l1.Ys(b,7),b.n);for(o=0;o<r.i.a.length;o++){n=false;for(j=m1.Xh(r.j,o),k=0,l=j.length;k<l;++k){m=j[k];if((b.D[m]&k3)!=0){n=true;break}}if(!n){s=m1.Xh(r.j,o).length;for(e=m1.Xh(r.i,o),f=0,g=e.length;f<g;++f){d=e[f];s==3?(a.A[d]=qR(a.A[d],k2)):s==4?(a.A[d]=qR(a.A[d],l2)):s==5?(a.A[d]=qR(a.A[d],m2)):s==6?(a.A[d]=qR(a.A[d],n2)):s==7&&(a.A[d]=qR(a.A[d],o2))}}}q=b.e;a.k=cM(g1.xN,e2,5,b.e,15,1);for(i=0;i<q;i++){a.k[i]=(l1.gr(b,i)|b.D[i])&6291967^6291840;(c&4)!=0?(a.k[i]&2)!=0&&(a.k[i]|=8):(c&8)!=0&&(a.k[i]&2)!=0&&i<b.e&&l1.Hq(b.n,i)&&(a.k[i]|=8)}};l1.vr=function vr(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;l1.Ys(a.G,a.M);k=a.G.d;a.I=cM(g1.xN,e2,5,k,15,1);a.H=cM(g1.yN,y3,5,k,14,1);for(g=0;g<k;g++){a.H[g]=zR(VQ(qR(l1.fr(a.G,g),l1.Kj(a.G,g)),p4),q4);a.I[g]=l1.Pj(a.G,g);(b&1)!=0&&(a.I[g]+=l1.yj(a.G,g)+16<<8);(b&2)!=0&&(a.I[g]+=l1.Ij(a.G,g)<<16)}a.L=cM(g1.yN,y3,5,k,14,1);m=l1.sn(a.G);for(j=0;j<m.i.a.length;j++){n=m1.Xh(m.j,j).length;for(d=m1.Xh(m.i,j),e=0,f=d.length;e<f;++e){h=d[e];n==3?(a.L[h]=qR(a.L[h],k2)):n==4?(a.L[h]=qR(a.L[h],l2)):n==5?(a.L[h]=qR(a.L[h],m2)):n==6?(a.L[h]=qR(a.L[h],n2)):n==7&&(a.L[h]=qR(a.L[h],o2))}}for(c=0;c<k;c++){n=l1.Lm(a.G,c);n==0?(a.L[c]=qR(a.L[c],j2)):n>7&&(a.L[c]=qR(a.L[c],p2))}l=a.G.e;a.J=cM(g1.xN,e2,5,l,15,1);for(i=0;i<l;i++)a.J[i]=(l1.gr(a.G,i)|l1.ck(a.G,i))&6422527^6291840};l1.wr=function wr(a,b,c,d,e,f,g){var h,i;h=l1.Qm(a.g,a.r[b],d);if((!a.C[h]||a.f[h]==g)&&h!=a.t[b]){i=l1.Sm(a.g,a.r[b],d);if(!f[i]&&!l1.xk(a.g,i)){a.r[++c]=h;a.t[c]=a.r[b];a.u[c]=i;f[i]=true;e[h]?(a.s[c]=true):(e[h]=true)}}return c};l1.xr=function xr(){this.c=8;this.N=new m1.O_(new u1.pJ)};l1.yr=function yr(a,b){var c;c=cM(g1.xN,e2,5,b,15,1);h1.gV(a,0,c,0,$wnd.Math.min(a.length,b));return c};l1.zr=function zr(a,b){var c;c=cM(g1.OQ,y2,5,b,16,1);h1.gV(a,0,c,0,$wnd.Math.min(a.length,b));return c};JR(92,1,{},l1.xr);_.c=0;_.d=0;_.o=0;_.p=0;_.q=false;_.v=0;_.w=0;_.K=false;_.M=0;_.O=false;g1.gO=aT(92);l1.Ar=function Ar(){};JR(109,1,{109:1},l1.Ar);_.a=0;_.b=0;_.c=0;_.d=0;g1.eO=aT(109);
85
+ l1.Dr=function 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l1.Uq(a.j,3);s=cM(g1.OQ,y2,5,U.i.a.length,16,1);for(Q=0;Q<U.i.a.length;Q++){S=m1.Xh(U.i,Q);s[Q]=true;for(A=S,D=0,H=A.length;D<H;++D){v=A[D];if(!l1.Ek(a.j,v)){s[Q]=false;break}}if(s[Q]){for(B=S,F=0,I=B.length;F<I;++F){v=B[F];t[v]=true}T=m1.Xh(U.j,Q);for(w=T,C=0,G=w.length;C<G;++C){v=w[C];if(!a.f[v]){a.f[v]=true;++a.c}}}}for(m=0;m<a.j.e;m++){!a.f[m]&&(U.b[m]&Y1)!=0&&l1.Ek(a.j,l1.Uj(a.j,0,m))&&l1.Ek(a.j,l1.Uj(a.j,1,m))&&l1.ls(a,m)}for(n=0;n<a.j.e;n++){if(!a.f[n]){f=l1.Uj(a.j,0,n);g=l1.Uj(a.j,1,n);if(!t[f]&&!t[g]&&l1.Ek(a.j,f)&&l1.Ek(a.j,g)){a.f[n]=true;++a.c}}}l1.Ys(a.j,7);r=cM(g1.OQ,y2,5,a.j.e,16,1);a.j.e>=0&&h1.gV(a.f,0,r,0,a.j.e);for(R=0;R<U.i.a.length;R++){if(s[R]){S=m1.Xh(U.i,R);for(K=S,L=0,M=K.length;L<M;++L){J=K[L];if(!l1.Cs(a,J)){if(l1.Ek(a.j,J)){l1.ll(a.j,J,false);--a.b}for(v=0;v<l1.Rm(a.j,J);v++){p=l1.Sm(a.j,J,v);if(a.f[p]){a.f[p]=false;--a.c}}}}}}l1.Bs(a);for(P=0;P<U.i.a.length;P++){if(s[P]&&m1.Xh(U.j,P).length==6){T=m1.Xh(U.j,P);u=true;for(i=T,j=0,k=i.length;j<k;++j){h=i[j];if(!a.f[h]){u=false;break}}if(u){l1.As(a,T[0]);l1.As(a,T[2]);l1.As(a,T[4]);l1.Bs(a)}}}for(O=5;O>=4;O--){do{N=false;for(h=0;h<a.j.e;h++){if(a.f[h]){d=0;for(q=0;q<2;q++){o=l1.Uj(a.j,q,h);for(v=0;v<l1.Rm(a.j,o);v++)a.f[l1.Sm(a.j,o,v)]&&++d}if(d==O){l1.As(a,h);l1.Bs(a);N=true;break}}}}while(N)}while(a.b>=2)if(!l1.os(a,r))break;if(b){if(a.b!=0){for(e=0;e<a.j.d;e++){if(l1.Ek(a.j,e)){l1.ll(a.j,e,false);l1.ol(a.j,e,2,true);--a.b;c=true}}}if(a.c!=0){for(h=0;h<a.j.e;h++){if(a.f[h]){a.f[h]=false;l1.Fl(a.j,h,64);--a.c;c=true}}}}else{for(e=0;e<a.j.d;e++){if(l1.Ek(a.j,e)&&l1.dn(a.j,e)!=0){l1.ll(a.j,e,false);l1.pl(a.j,e,32);--a.b}}}if(a.p==0||a.p==1&&!c){if(a.b!=0)throw TQ(new h1.VJ(t4));if(a.c!=0)throw TQ(new h1.VJ(t4))}};
86
+ l1.ts=function ts(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb;a.j=b;l1.Ws(a.j);!!a.q&&h1.qS(a.q,0);a.b=0;a.o=false;i=a.p!=0;hb=null;q=cM(g1.xN,e2,5,32,15,1);q[0]=-1;ob=cM(g1.xN,e2,5,16,15,1);rb=cM(g1.xN,e2,5,16,15,1);qb=cM(g1.xN,e2,5,16,15,1);pb=cM(g1.xN,e2,5,16,15,1);for(Q=0;Q<16;Q++)ob[Q]=-1;n=0;I=-1;ub=false;T=false;N=false;v=0;t=1;s=0;m=new u1.vJ;ib=new l1.Qs(c);l=new l1.Hs;nb=new m1.ki;tb=cM(g1.xN,e2,5,1,15,1);while(c[d]<=32)++d;while(d<e){wb=c[d++]&Y1;if(h1.PS(wb)||wb==42||wb==63||wb==33&&i&&ub||wb==35&&i&&ub){p=-1;A=0;Y=0;h=-1;G=-1;gb=false;S=false;o=0;if(ub){if(wb==42){p=6;o=qR(o,1)}else if(wb==63){p=0}else{V=wb==33;if(V){a.o=true;o=qR(o,1);++d}if(c[d-1]==82&&i&&(NS(c[d]&Y1)||a.a&&c[d]==123)){p=6;o=qR(o,1);--d;V&&--d}else{if(!l1.vs(a,c,d-1,e,l))throw TQ(new h1.VJ("SmilesParser: Unexpected character in atom definition:'"+String.fromCharCode(c[d-1]&Y1)+u4+(d-1)));p=l.a;d+=l.b-1;a.p!=2&&(G=9);if(i&&(c[d]==44||V)){$=l.d;Z=l.c;vb=d-l.b;while(vb<e){if(!l1.vs(a,c,vb,e,l)){if(!V)throw TQ(new h1.VJ("SmilesParser: Unexpected character in atom list:'"+String.fromCharCode(c[vb]&Y1)+v4+vb));break}if(l.a==1){if(!V)throw TQ(new h1.VJ("SmilesParser: Hydrogen is not supported in positive atom lists:'"+h1.uU((m1.FZ(c,vb,e),m1.JZ(c,cM(g1.tN,z3,5,e-vb,15,1),vb,e)))+v4+vb))}else{u1.tJ(m,h1.bU(l.a));$=$|l.d;Z=Z|l.c}vb+=l.b;if(c[vb]!=(V?59:44))break;if(V&&c[vb+1]!=33)break;++vb;c[vb]==33&&++vb}if(m.a.a.length>1){G=-1;Z?$||(o=qR(o,4)):(o=qR(o,2))}d=vb}}}while(ub){if(c[d]==64){++d;if(c[d]==64){S=true;++d}gb=true;continue}if(c[d]==58){++d;while(NS(c[d]&Y1)){Y=10*Y+c[d]-48;++d}continue}if(c[d]==91)throw TQ(new h1.VJ('SmilesParser: nested square brackets found. Position:'+d));if(c[d]==93){++d;ub=false;continue}A=l1.ws(c,d,tb);if(tb[0]!=0){d+=tb[0];A==0&&(o=qR(o,N2));continue}U=c[d]==33;U&&++d;if(c[d]==72){++d;d+=l1.Ns(ib,d,1);H=0;ib.c<=0&&ib.b>=0&&(H=qR(H,128));ib.c<=1&&ib.b>=1&&(H=qR(H,256));ib.c<=2&&ib.b>=2&&(H=qR(H,512));ib.c<=3&&ib.b>=3&&(H=qR(H,L2));if(U){o=qR(o,H);G=-1}else{if(ib.b==ib.c){G=ib.c}else{o=qR(o,VQ(K2,pR(H)));G=-1}}continue}if(c[d]==68){++d;d+=l1.Ns(ib,d,1);H=0;ib.c<=0&&ib.b>=0&&(H=qR(H,A3));ib.c<=1&&ib.b>=1&&(H=qR(H,q3));ib.c<=2&&ib.b>=2&&(H=qR(H,p3));ib.c<=3&&ib.b>=3&&(H=qR(H,C3));ib.c<=4&&ib.b>=4&&(H=qR(H,S2));if($Q(H,0)!=0){if(U)o=qR(o,H);else if(oR(VQ(o,R2),0))o=VQ(o,pR(H));else{H=zR(H,R2);o=qR(o,H)}}continue}if(c[d]==122&&a.a){++d;d+=l1.Ns(ib,d,4);H=0;ib.c<=0&&ib.b>=0&&(H=qR(H,a3));ib.c<=1&&ib.b>=1&&(H=qR(H,w4));ib.c<=2&&ib.b>=2&&(H=qR(H,x4));ib.c<=3&&ib.b>=3&&(H=qR(H,y4));ib.c<=4&&ib.b>=4&&(H=qR(H,_2));if($Q(H,0)!=0){if(U)o=qR(o,H);else if(oR(VQ(o,W2),0))o=VQ(o,pR(H));else{H=zR(H,W2);o=qR(o,H)}}continue}if(c[d]==88){++d;d+=l1.Ns(ib,d,1);Cb=(l1.Ri(),l1.Mi)[p];if(Cb==null)continue;yb=Cb[0];X=l1.ws(c,d,tb);tb[0]!=0&&(l1.im(p)?(yb+=X):p==6?(yb-=$wnd.Math.abs(X)):(yb-=X));H=0;yb-ib.c<=0&&yb-ib.b>=0&&(H=qR(H,F2));yb-ib.c<=1&&yb-ib.b>=1&&(H=qR(H,Q3));yb-ib.c<=2&&yb-ib.b>=2&&(H=qR(H,X1));if($Q(H,0)!=0){if(U)o=qR(o,H);else if(oR(VQ(o,Q2),0))o=VQ(o,pR(H));else{H=zR(H,Q2);o=qR(o,H)}}continue}if(c[d]==65||c[d]==97){++d;o=qR(o,U^c[d]==65?4:2);continue}if(c[d]==82){++d;d+=l1.Ns(ib,d,3);H=0;ib.c<=0&&ib.b>=0&&(H=qR(H,8));ib.c<=1&&ib.b>=1&&(H=qR(H,16));ib.c<=2&&ib.b>=2&&(H=qR(H,32));ib.c<=3&&ib.b>=3&&(H=qR(H,64));ib.b>3&&l1.Es(a,(U?'!R':'R')+ib.b);if($Q(H,0)!=0){if(U)o=qR(o,H);else if(oR(VQ(o,120),0))o=VQ(o,pR(H));else{H=zR(H,120);o=qR(o,H)}}continue}if(c[d]==114){++d;d+=l1.Ns(ib,d,1);if(ib.a){U?(o=qR(o,384)):(o=qR(o,8));continue}sb=ib.c;ib.b>ib.c&&l1.Es(a,(U?'!r':'r')+('{'+ib.c+'-'+ib.b+'}'));!U&&sb>=3&&sb<=7?(o=qR(o,g1.bR(sb<<22))):ib.b>ib.c||l1.Es(a,(U?'!r':'r')+sb);continue}if(c[d]==118){++d;d+=l1.Ns(ib,d,1);yb=ib.c;ib.b>ib.c&&l1.Es(a,(U?'!v':'v')+('{'+ib.c+'-'+ib.b+'}'));!U&&yb<=14?(h=yb):ib.b>ib.c||l1.Es(a,(U?'!v':'v')+yb);continue}if(c[d]==36){d+=l1.zs(a,c,d,nb);continue}if(i&&(c[d]==59||c[d]==38)){a.o=true;++d;continue}if(i&&c[d]==44&&l1.rs(c,d,tb)){a.o=true;d+=tb[0]+1;continue}throw TQ(new h1.VJ("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&Y1)+z4+d))}}else if(wb==42){p=6;o=qR(o,1)}else if(wb==63){p=0}else if((wb==65||wb==97)&&i){p=6;o=qR(o,1);o=qR(o,wb==65?4:2);a.o=true}else{switch(String.fromCharCode(wb).toUpperCase().charCodeAt(0)){case 66:if(d<e&&c[d]==114){p=35;++d}else p=5;break;case 67:if(d<e&&c[d]==108){p=17;++d}else p=6;break;case 70:p=9;break;case 73:p=53;break;case 78:p=7;break;case 79:p=8;break;case 80:p=15;break;case 83:p=16;}}if(p==-1&&wb!=63)throw TQ(new h1.VJ('SmilesParser: unknown element label found. Position:'+(d-1)));k=l1.Ti(a.j,p);l1.cl(a.j,k,A);l1.kl(a.j,k,Y,false);l1.al(a.j,k,h);if($Q(o,0)!=0){a.o=true;if(oR(VQ(o,2),0)){o=VQ(o,-3);l1.ll(a.j,k,true);++a.b}else{l1.ll(a.j,k,false)}l1.ol(a.j,k,o,true)}if(m.a.a.length!=0){a.o=true;W=cM(g1.xN,e2,5,m.a.a.length,15,1);for(P=0;P<m.a.a.length;P++)W[P]=(P<0?null:m1.Xh(m.a,P)).a;l1.il(a.j,k,W);k1.b1(m.a.a).length=0}else{if(String.fromCharCode(wb).toLowerCase().charCodeAt(0)==wb&&h1.PS(wb)){if(p!=5&&p!=6&&p!=7&&p!=8&&p!=15&&p!=16&&p!=33&&p!=34)throw TQ(new h1.VJ('SmilesParser: atomicNo '+p+' must not be aromatic. Position:'+(d-1)));l1.ll(a.j,k,true);++a.b}else{l1.ll(a.j,k,false)}}if(nb.a.length!=0){for(K=new m1.BZ(nb);K.a<K.c.a.length;){J=m1.AZ(K);l1.vl(J,0,0);l1.bj(b,J,k)}k1.b1(nb.a).length=0}if(G!=-1&&p!=1){w=cM(g1.tN,z3,5,1,15,1);w[0]=G<<24>>24;l1.gl(a.j,k,w)}I=q[v];if(q[v]!=-1&&t!=512){r=l1.Vi(a.j,q[v],k,t);if(s!=0){a.o=true;l1.El(a.j,r,s,true)}}t=1;s=0;q[v]=k;if(n!=0){l1.ml(a.j,k,n);n=0}if(g){eb=!hb?null:m1.$Y(hb,h1.bU(I));!!eb&&l1.Js(eb,k,d);if(gb){!hb&&(hb=new m1.Y$);O=G==9?0:G;m1.Q$(hb,h1.bU(k),new l1.Ms(k,d-2,I,O,S))}}continue}if(wb==36){if(nb.a.length!=0)throw TQ(new h1.VJ('SmilesParser: multiple recursive SMARTS without preceding atom are not supported yet. Position:'+(d-1)));q[v]=b.o;d+=l1.zs(a,c,d-1,nb);l1.Wi(b,(k1.T0(0,nb.a.length),nb.a[0]));k1.b1(nb.a).length=0;continue}if(wb==46){q[v]=-1;t=512;continue}if(wb==45||wb==61||wb==35||wb==36||wb==58||wb==47||wb==92||wb==60||wb==126||wb==33||wb==64){if(ub)throw TQ(new h1.VJ("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(wb)+z4+(d-1)));D=0;while(wb==45||wb==61||wb==35||wb==36||wb==58||wb==47||wb==92||wb==60||wb==126||wb==33||wb==64){if(wb==33){wb=c[d++]&Y1;if(wb==64)s|=128;else if(wb==45&&c[d]==62||wb==60&&c[d]==45){D|=32;++d}else if(wb==45)D|=1;else if(wb==61)D|=2;else if(wb==35)D|=4;else if(wb==36)D|=32;else if(wb==58)D|=8;else throw TQ(new h1.VJ("SmilesParser: bond symbol '"+String.fromCharCode(wb)+"' not allowed after '!'. Position:"+(d-1)))}else{if(wb==64)s|=256;else if(wb==61)t=2;else if(wb==35)t=4;else if(wb==36)t=8;else if(wb==58)t=64;else if(wb==126)s|=15;else if(wb==47){g&&(t=257)}else if(wb==92){g&&(t=129)}else if(wb==45&&c[d]==62||wb==60&&c[d]==45){t=32;++d}if(c[d]==44){s|=(t==32?62:wb)==61?2:(t==32?62:wb)==35?4:(t==32?62:wb)==36?32:(t==32?62:wb)==58?8:(t==32?62:wb)==62?16:(t==32?62:wb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){s|=16;d+=3}else{s|=l1.ns(c[d+1]&Y1);d+=2}}}}if(c[d]==59){++d;wb=c[d++]&Y1;continue}D!=0&&(s|=31&~D);break}continue}if(wb<=32){d=e;continue}if(NS(wb)){bb=wb-48;if(ub){while(d<e&&NS(c[d]&Y1)){bb=10*bb+c[d]-48;++d}n=bb}else{u=T?d-3:d-2;M=c[u]==45||c[u]==47||c[u]==92||c[u]==61||c[u]==35||c[u]==36||c[u]==58||c[u]==62||c[u]==126;if(T&&d<e&&NS(c[d]&Y1)){bb=10*bb+c[d]-48;T=false;++d}if(bb>=ob.length){if(bb>=100)throw TQ(new h1.VJ('SmilesParser: ringClosureAtom number out of range: '+bb));cb=ob.length;ab=ob.length;while(ab<=bb)ab=$wnd.Math.min(100,ab+16);ob=(k1.R0(ab),m1.JZ(ob,cM(g1.xN,e2,5,ab,15,1),0,ab));rb=(k1.R0(ab),m1.JZ(rb,cM(g1.xN,e2,5,ab,15,1),0,ab));qb=(k1.R0(ab),m1.JZ(qb,cM(g1.xN,e2,5,ab,15,1),0,ab));pb=(k1.R0(ab),m1.JZ(pb,cM(g1.xN,e2,5,ab,15,1),0,ab));for(P=cb;P<ab;P++)ob[P]=-1}if(ob[bb]==-1){ob[bb]=q[v];rb[bb]=d-1;qb[bb]=M?t:-1;pb[bb]=M?s:0}else{if(ob[bb]==q[v])throw TQ(new h1.VJ('SmilesParser: ring closure to same atom'));if(g&&!!hb){eb=m1.$Y(hb,h1.bU(ob[bb]));!!eb&&l1.Js(eb,q[v],rb[bb]);eb=m1.$Y(hb,h1.bU(q[v]));!!eb&&l1.Js(eb,ob[bb],d-1)}qb[bb]!=-1?(t=qb[bb]):t==257?(t=129):t==129&&(t=257);r=l1.Vi(a.j,ob[bb],q[v],t);pb[bb]!=0&&(s=pb[bb]);if(s!=0){a.o=true;l1.El(a.j,r,pb[bb],true)}ob[bb]=-1}t=1;s=0}continue}if(wb==43){throw TQ(new h1.VJ("SmilesParser: '+' found outside brackets. Position:"+(d-1)))}if(wb==40){if(q[v]==-1){N=true;continue}++v;q.length==v&&(q=m1.IZ(q,q.length+32));q[v]=q[v-1];continue}if(wb==41){if(v==0){if(!N)throw TQ(new h1.VJ("SmilesParser: Closing ')' without opening counterpart. 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1:{C=a.g[b];if(C==0){k=l1.Mm(a,true);n=0}else{k=I-l1.Mj(a,a.f[b][0]);n=J-l1.Nj(a,a.f[b][0])}if(C==1){t=l1.Si(a,I+n1.Vt*k+n1.$t*n,J-n1.$t*k+n1.Vt*n,0)}else if(C==2){k=I-0.5*(l1.Mj(a,a.f[b][0])+l1.Mj(a,a.f[b][1]));n=J-0.5*(l1.Nj(a,a.f[b][0])+l1.Nj(a,a.f[b][1]));t=l1.Si(a,I+k,J+n,0)}else if(C==3){F=a.f[b][0];for(r=1;r<3;r++){h=a.i[b][r];(a.F[h]==129||a.F[h]==257)&&(F=a.f[b][r])}c=$wnd.Math.abs(l1.gm(l1.fm(a.H[b].a,a.H[b].b,l1.Mj(a,a.f[b][0]),l1.Nj(a,a.f[b][0])),l1.fm(a.H[b].a,a.H[b].b,l1.Mj(a,a.f[b][1]),l1.Nj(a,a.f[b][1]))));d=$wnd.Math.abs(l1.gm(l1.fm(a.H[b].a,a.H[b].b,l1.Mj(a,a.f[b][0]),l1.Nj(a,a.f[b][0])),l1.fm(a.H[b].a,a.H[b].b,l1.Mj(a,a.f[b][2]),l1.Nj(a,a.f[b][2]))));e=$wnd.Math.abs(l1.gm(l1.fm(a.H[b].a,a.H[b].b,l1.Mj(a,a.f[b][1]),l1.Nj(a,a.f[b][1])),l1.fm(a.H[b].a,a.H[b].b,l1.Mj(a,a.f[b][2]),l1.Nj(a,a.f[b][2]))));D=true;if(c>d&&c>e){if(d+e<D2){D=false;k=I-0.5*(l1.Mj(a,a.f[b][0])+l1.Mj(a,a.f[b][1]));n=J-0.5*(l1.Nj(a,a.f[b][0])+l1.Nj(a,a.f[b][1]))}}else if(d>c&&d>e){if(c+e<D2){D=false;k=I-0.5*(l1.Mj(a,a.f[b][0])+l1.Mj(a,a.f[b][2]));n=J-0.5*(l1.Nj(a,a.f[b][0])+l1.Nj(a,a.f[b][2]))}}else{if(c+d<D2){D=false;k=I-0.5*(l1.Mj(a,a.f[b][1])+l1.Mj(a,a.f[b][2]));n=J-0.5*(l1.Nj(a,a.f[b][1])+l1.Nj(a,a.f[b][2]))}}if(D){G=a.f[b][0];j=M3;for(q=0;q<3;q++){f=a.f[b][q];if(f!=F){i=$wnd.Math.pow(a.H[b].a-a.H[f].a,2)+$wnd.Math.pow(a.H[b].b-a.H[f].b,2);if(i<j){G=f;j=i;h1.fV();String.fromCharCode(10)}}}t=l1.Si(a,(a.H[F].a+a.H[G].a)/2,(a.H[F].b+a.H[G].b)/2,0)}else{t=l1.Si(a,I+k,J+n,0)}}else{t=l1.Si(a,I+k,J+n,0)}l1.vl(a,t,1);l1.Vi(a,b,t,1)}break;case 2:B=a.g[b];if(B==1){k=I-l1.Mj(a,a.f[b][0]);n=J-l1.Nj(a,a.f[b][0]);t=l1.Si(a,I+(n1.Wt*k-n1._t*n)*0.7,J+(n1._t*k+n1.Wt*n)*0.7,0);l1.vl(a,t,1);l1.Vi(a,b,t,1);t=l1.Si(a,I+(n1.Tt*k-n1.Yt*n)*0.7,J+(n1.Yt*k+n1.Tt*n)*0.7,0);l1.vl(a,t,1);l1.Vi(a,b,t,1)}else if(B==2){l=I-l1.Mj(a,a.f[b][0]);o=J-l1.Nj(a,a.f[b][0]);m=I-l1.Mj(a,a.f[b][1]);p=J-l1.Nj(a,a.f[b][1]);v=$wnd.Math.sqrt(l*l+o*o)*0.7;w=$wnd.Math.sqrt(m*m+p*p)*0.7;k=l+m;n=o+p;u=$wnd.Math.sqrt(k*k+n*n);g=(v+w)/2;k=k/u*g;n=n/u*g;H=l1.wn(a,b);t=l1.Si(a,I+n1.St*k-n1.Xt*n,J+n1.Xt*k+n1.St*n,0);l1.vl(a,t,1);H>-1?l1.Vi(a,b,t,1):l1.Vi(a,b,t,257);t=l1.Si(a,I+n1.Ut*k-n1.Zt*n,J+n1.Zt*k+n1.Ut*n,0);l1.vl(a,t,1);l1.Vi(a,b,t,1)}else{for(s=0;s<A;s++){t=l1.Si(a,I,J,0);l1.vl(a,t,1);l1.Vi(a,b,t,1)}}break;case 3:{if(a.f[b][0]>0){k=(I-l1.Mj(a,a.f[b][0]))*0.7;n=(J-l1.Nj(a,a.f[b][0]))*0.7;t=l1.Si(a,I+k,J+n,0);l1.vl(a,t,1);l1.Vi(a,b,t,1);t=l1.Si(a,I-n,J+k,0);l1.vl(a,t,1);l1.Vi(a,b,t,1);t=l1.Si(a,I+n,J-k,0);l1.vl(a,t,1);l1.Vi(a,b,t,1)}else{k=l1.Mm(a,true);n=l1.Mm(a,true);t=l1.Si(a,I+k,J+n,0);l1.vl(a,t,1);l1.Vi(a,b,t,1);t=l1.Si(a,I-n*n1.Wt,J+k*n1._t,0);l1.vl(a,t,1);l1.Vi(a,b,t,1);t=l1.Si(a,I-n*n1.Wt,J-k*n1._t,0);l1.vl(a,t,1);l1.Vi(a,b,t,1)}}break;default:{for(s=0;s<A;s++){t=l1.Si(a,I,J,0);l1.vl(a,t,1);l1.Vi(a,b,t,1)}break}}};n1.du=function du(a){n1.au();var b,c;l1.Ys(a,1);c=0;for(b=0;b<a.o;b++){a.A[b]==1?++c:(c+=a.c[b]-a.g[b]+l1.dn(a,b))}return c};n1.St=0;n1.Tt=0;n1.Ut=0;n1.Vt=0;n1.Wt=0;n1.Xt=0;n1.Yt=0;n1.Zt=0;n1.$t=0;n1._t=0;o1.fu=function fu(a,b,c){var d,e,f;f=b.length;d=new o1.Mv(a.f,f,false);d.a[0]=0;d.b[0]=0;for(e=0;e<f;e++){d.k[e]=128-f;d.e[e]=b[e]}f<8?o1.ou(d):o1.mu(a,d,b,c);o1.Wu(a.d,d)};o1.gu=function gu(a,b,c,d,e){var f,g,h,i,j,k,l,m;g=cM(g1.xN,e2,5,e,15,1);for(f=0;f<a.f.o;f++){for(i=0;i<l1.Cm(a.f,f);i++){m=c[l1.Qm(a.f,f,i)];for(j=0;j<i;j++)if(m<g[j])break;for(k=i;k>j;k--)g[k]=g[k-1];g[j]=m}l=l1.Cm(a.f,f);l1.dg(b[f],f);l1.ag(b[f],d,g1.bR(c[f]));l1.ag(b[f],(e-l)*(d+1),0);for(h=0;h<l;h++)l1.ag(b[f],d+1,g1.bR(g[h]))}};o1.hu=function hu(a){var b,c,d,e,f,g,h,i,j,k,l;d=l1.Pf(a.f.d);i=2;for(c=0;c<a.f.d;c++)i=$wnd.Math.max(i,l1.Cm(a.f,c));f=(62+2*d+i*(d+1))/63|0;e=cM(g1.IN,x3,74,a.f.o,0,1);for(b=0;b<a.f.o;b++){e[b]=new l1.eg(f);l1.dg(e[b],b)}l=cM(g1.xN,e2,5,a.f.o,15,1);for(g=0;g<a.f.e;g++){h=l1.bk(a.f,g);if(h==1||h==2){l1.bg(e[l1.Uj(a.f,0,g)],g1.bR(h));l1.bg(e[l1.Uj(a.f,1,g)],g1.bR(h))}}j=o1.iu(e,l);do{k=j;o1.gu(a,e,l,d,i);j=o1.iu(e,l)}while(k!=j);return l};o1.iu=function iu(a,b){var c,d;d=0;m1.UZ(a,0,a.length,null);for(c=0;c<a.length;c++){(c==0||l1.cg(a[c],a[c-1])!=0)&&++d;b[a[c].a]=d}return d};
87
+ o1.ju=function ju(a){var b,c,d,e,f,g,h,i,j,k,l,m;for(i=0;i<a.d.a.length;i++){h=m1.Xh(a.d,i);for(j=0;j<h.f.length;j++){d=h.f[j];if(l1.ak(a.f,d)==2){!l1.Yn(a.f,d)&&(l1.bk(a.f,d)==3||l1.bk(a.f,d)==0)&&l1.Dl(a.f,d);if(!l1.Vn(a.f,d)&&l1.Rm(a.f,l1.Uj(a.f,0,d))>1&&l1.Rm(a.f,l1.Uj(a.f,1,d))>1&&(l1.bk(a.f,d)==1||l1.bk(a.f,d)==2)){m=cM(g1.xN,e2,5,2,15,1);e=cM(g1.xN,e2,5,2,15,1);for(k=0;k<2;k++){m[k]=a.f.K;e[k]=l1.Uj(a.f,k,d);for(l=0;l<l1.Cm(a.f,e[k]);l++){f=l1.Qm(a.f,e[k],l);f!=l1.Uj(a.f,1-k,d)&&m[k]>f&&(m[k]=f)}}g=o1.qv(h.a[h.g[e[0]]],h.b[h.g[e[0]]],h.a[h.g[e[1]]],h.b[h.g[e[1]]]);b=o1.qv(h.a[h.g[m[0]]],h.b[h.g[m[0]]],h.a[h.g[e[0]]],h.b[h.g[e[0]]]);c=o1.qv(h.a[h.g[e[1]]],h.b[h.g[e[1]]],h.a[h.g[m[1]]],h.b[h.g[m[1]]]);o1.qu(g,b)<0^o1.qu(g,c)<0^l1.bk(a.f,d)==2&&o1.Av(h,d)}}}}};o1.ku=function ku(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;m=new m1.ki;r=new m1.ki;d=new m1.ki;for(f=new m1.BZ(a.d);f.a<f.c.a.length;){e=m1.AZ(f);g=0;k1.b1(d.a).length=0;for(h=0;h<e.e.length;h++){b=e.e[h];c=a.i[b];if(c!=0){m1.Sh(d,new o1.sv(e,h,c));g+=c}}if(g!=0){m1.hi(d,new o1._u);for(j=new m1.BZ(d);j.a<j.c.a.length;){i=m1.AZ(j);if(g*i.b>0){c=$wnd.Math.abs(g)>=$wnd.Math.abs(i.b)?i.b:g;g-=c;m1.Sh(c<0?m:r,new o1.sv(e,i.a,c));if(g==0)break}}}}if(m.a.length==0||r.a.length==0)return null;m1.hi(r,new o1.dv);m1.hi(m,new o1.hv);for(p=new m1.BZ(r);p.a<p.c.a.length;){n=m1.AZ(p);for(l=new m1.BZ(m);l.a<l.c.a.length;){k=m1.AZ(l);if(n.b==-k.b){a.i[o1.Ev(n.c,n.a)]-=n.b;a.i[o1.Ev(k.c,k.a)]-=k.b;return new o1.nv(n.c,k.c,n.a,k.a)}}}for(q=new m1.BZ(r);q.a<q.c.a.length;){n=m1.AZ(q);for(l=new m1.BZ(m);l.a<l.c.a.length;){k=m1.AZ(l);if(n.b>-k.b){a.i[o1.Ev(n.c,n.a)]+=k.b;a.i[o1.Ev(k.c,k.a)]-=k.b;return new o1.nv(n.c,k.c,n.a,k.a)}}}for(o=new m1.BZ(r);o.a<o.c.a.length;){n=m1.AZ(o);for(l=new m1.BZ(m);l.a<l.c.a.length;){k=m1.AZ(l);if(n.b<-k.b){a.i[o1.Ev(n.c,n.a)]-=n.b;a.i[o1.Ev(k.c,k.a)]+=n.b;return new o1.nv(n.c,k.c,n.a,k.a)}}}return null};o1.lu=function lu(a){if(a.d.a.length<2)return null;return new o1.mv(m1.Xh(a.d,0),m1.Xh(a.d,1))};o1.mu=function mu(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C;k=kM(YL(g1.vN,2),K1,15,0,[kM(YL(g1.vN,1),i3,5,15,[20]),null,null,kM(YL(g1.vN,1),i3,5,15,[0,10]),null,null,kM(YL(g1.vN,1),i3,5,15,[-4,12]),kM(YL(g1.vN,1),i3,5,15,[0,0,-7.5]),null,null,null,null,kM(YL(g1.vN,1),i3,5,15,[8,-8]),null,null,null,kM(YL(g1.vN,1),i3,5,15,[-2.4])]);l=kM(YL(g1.xN,2),w3,6,0,[kM(YL(g1.xN,1),e2,5,15,[146]),kM(YL(g1.xN,1),e2,5,15,[627]),null,kM(YL(g1.xN,1),e2,5,15,[2457,1170]),null,kM(YL(g1.xN,1),e2,5,15,[2451,8643,2519]),kM(YL(g1.xN,1),e2,5,15,[9362,14798]),kM(YL(g1.xN,1),e2,5,15,[34377,-2147448999,26214]),null,kM(YL(g1.xN,1),e2,5,15,[37449,137313,95703,34371,37815,54891,132867,-2147309741,54857,55129,-2147449005,-2147449065]),null,kM(YL(g1.xN,1),e2,5,15,[530697,531819,899169,137289,694617,-2146951863,-2146952797,-2146939175,-2146929547,-2146929564,-2146625111,-2146931799,-2146940503,-2146931935]),kM(YL(g1.xN,1),e2,5,15,[1007293,610915]),kM(YL(g1.xN,1),e2,5,15,[542985,137283,2122017,530691,2206773,-2144711351,219209,2840841,137555,-2146871031,-2147264167,613705,-2145360543,-2146625271,694611,2454837,-2145356703,-2147345133,-2146928951,-2146931805,-2144641719,-2146951869,-2146625237,-2146624183,2841963,1074905,-2146625117,2799955,-2144723645,138583,859225,-2145264843,-2145216253,-2146624149,-2144700727,-2146928917,-2143905527,-2144045771,-2146789097,2288547,544407,2104323,-2146911977,-2144479405,3633737,-2146870089,-2146952169]),null,kM(YL(g1.xN,1),e2,5,15,[8487297,2172633,2116611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8829813]),kM(YL(g1.xN,1),e2,5,15,[14071213])]);s=1<<b.e.length;g=0;i=0;if(b.e.length>7){for(n=0;n<b.e.length;n++){h=o1.uu(a,c,d,n);h==1?(g+=s):h==2&&(i+=s);g>>>=1;i>>>=1}}v=b.e.length-9;if(b.e.length>=9&&b.e.length<=25&&l[v]!=null){for(C=0;C<l[v].length;C++){r=(S1&l[v][C])==0;j=P1&l[v][C];for(p=false;!p;p=!p){if(p){if(r)break;t=0;for(e=1;e!=s;e<<=1){t<<=1;(j&e)!=0&&(t|=1)}j=t}for(w=0;w<b.e.length;w++){if((j&g)==0&&(~j&i)==0){f=0;m=0.017453292519943295*(k[v]==null?0:k[v][C]);u=0;A=j;q=true;for(o=0;o<b.e.length;o++){q&&++u;(A&1)==0&&(q=!q);A>>>=1}B=u>(b.e.length/2|0);for(n=1;n<b.e.length;n++){b.a[n]=b.a[n-1]+$wnd.Math.sin(f);b.b[n]=b.b[n-1]+$wnd.Math.cos(f);(j&1)==0&&(B=!B);f+=m+(B?m3:E4);j>>>=1}return}(j&1)!=0&&(j|=s);j>>>=1}}}}o1.pu(b,g,i)};o1.nu=function nu(a){var b,c,d,e,f,g,h,i,j,k;b=null;j=null;for(g=0;g<a.f.e;g++){if(l1.dk(a.f,g)==32){c=l1.Uj(a.f,0,g);e=-1;h=0;for(;h<a.d.a.length;h++){e=o1.Fv(m1.Xh(a.d,h),c);if(e!=-1)break}d=l1.Uj(a.f,1,g);f=-1;i=0;for(;i<a.d.a.length;i++){f=o1.Fv(m1.Xh(a.d,i),d);if(f!=-1)break}if(h!=i){if(h>i){k=h;h=i;i=k;k=e;e=f;f=k}j==null&&(j=cM(g1.yO,K1,211,a.d.a.length,0,2));j[i]==null&&(j[i]=cM(g1.yO,{211:1,4:1,8:1},56,i,0,1));if(j[i][h])o1.kv(j[i][h],e,f);else{gM(j[i],h,new o1.nv(m1.Xh(a.d,h),m1.Xh(a.d,i),e,f));!b&&(b=new m1.ki);m1.Sh(b,j[i][h])}}}}return b};o1.ou=function ou(a){var b,c;b=D2-D2*(a.e.length-2)/a.e.length;for(c=1;c<a.e.length;c++){a.a[c]=a.a[c-1]+$wnd.Math.sin(b*(c-1));a.b[c]=a.b[c-1]+$wnd.Math.cos(b*(c-1))}};o1.pu=function pu(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;if(b==0||(b&c)!=0){o1.ou(a);return}q=-1;r=0;f=1<<a.e.length-2;e=1<<a.e.length-1;h=1;g=2;for(j=0;j<a.e.length;j++){if((c&(e|h))==0&&(b&(e|h))!=0&&(b&f)==0){o=0;(c&f)!=0&&(o+=4);(b&e)!=0&&(o+=2);(b&h)!=0&&(o+=1);if(r<o){r=o;q=j}}f=e;e=h;h=g;g=1<<(j+2<a.e.length?j+2:j+2-a.e.length)}if(q==-1){o1.ou(a);return}m=0;m|=1<<q;n=2;while(n<a.e.length-1){l=q+n<a.e.length?q+n:q+n-a.e.length;e=1<<(l==0?a.e.length-1:l-1);if((c&e)!=0){++n;continue}h=1<<l;if((b&e)!=0){if((c&h)!=0){o1.ou(a);return}m|=h;n+=2;continue}g=1<<(l+1<a.e.length?l+1:l+1-a.e.length);if((b&h)!=0&&(c&g)!=0){m|=h;n+=3;continue}++n}if(m==0){o1.ou(a);return}d=D2-D2*(a.e.length-2)/a.e.length;for(k=1;k<a.e.length;k++){a.a[k]=a.a[k-1]+$wnd.Math.sin(d*(k-1));a.b[k]=a.b[k-1]+$wnd.Math.cos(d*(k-1))}h=1;p=2*$wnd.Math.sin(d/2);for(i=0;i<a.e.length;i++){if((m&h)!=0){a.a[i]+=p*$wnd.Math.cos(d*(i-0.5));a.b[i]-=p*$wnd.Math.sin(d*(i-0.5))}h<<=1}};o1.qu=function qu(a,b){var 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a.b[b]};o1.Dv=function Dv(a){var b,c,d,e,f,g,h,i;a.c=0;c=new m1.ki;for(e=1;e<a.e.length;e++){for(f=0;f<e;f++){h=$wnd.Math.abs(a.a[e]-a.a[f]);i=$wnd.Math.abs(a.b[e]-a.b[f]);d=$wnd.Math.sqrt(h*h+i*i);if(d<0.8){b=cM(g1.xN,e2,5,2,15,1);b[0]=a.e[e];b[1]=a.e[f];k1.y0(c.a,b)}g=1-$wnd.Math.min(d,1);a.c+=g*g}}return c};o1.Ev=function Ev(a,b){return a.e[b]};o1.Fv=function Fv(a,b){var c;for(c=0;c<a.e.length;c++)if(b==a.e[c])return c;return -1};o1.Gv=function Gv(a){if(a.n==null){a.n=m1.IZ(a.e,a.e.length);k1.A0(a.n,k1.b1(MR(m1.e$.prototype.bc,m1.e$,[])))}return a.n};o1.Hv=function Hv(a,b){var c;for(c=0;c<a.e.length;c++)if(b==a.e[c])return true;return false};o1.Iv=function Iv(a){var b,c,d,e,f,g;d=0;for(f=0;f<a.e.length;f++){b=a.e[f];c=l1.Cm(a.j,b);for(g=0;g<c;g++)l1.Qm(a.j,b,g)>b&&++d}a.f=cM(g1.xN,e2,5,d,15,1);a.g=cM(g1.xN,e2,5,a.j.o,15,1);d=0;for(e=0;e<a.e.length;e++){b=a.e[e];c=l1.Cm(a.j,b);a.g[b]=e;for(g=0;g<c;g++)l1.Qm(a.j,b,g)>b&&(a.f[d++]=l1.Sm(a.j,b,g))}};o1.Jv=function Jv(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;o=a.a[b];s=a.b[b];f=cM(g1.zO,U1,22,4,0,1);k=0;for(l=0;l<a.f.length;l++){if(k>=4)break;if(b==a.g[l1.Uj(a.j,0,a.f[l])]||b==a.g[l1.Uj(a.j,1,a.f[l])])continue;p=a.a[a.g[l1.Uj(a.j,0,a.f[l])]];t=a.b[a.g[l1.Uj(a.j,0,a.f[l])]];q=a.a[a.g[l1.Uj(a.j,1,a.f[l])]];u=a.b[a.g[l1.Uj(a.j,1,a.f[l])]];h=$wnd.Math.sqrt((p-o)*(p-o)+(t-s)*(t-s));i=$wnd.Math.sqrt((q-o)*(q-o)+(u-s)*(u-s));e=$wnd.Math.sqrt((q-p)*(q-p)+(u-t)*(u-t));if(h<e&&i<e){if(p==q){g=$wnd.Math.abs(o-p);g<0.5&&(f[k++]=new o1.ov(o1.qv(p,s,o,s),(0.5-g)/2))}else if(t==u){g=$wnd.Math.abs(s-t);g<0.5&&(f[k++]=new o1.ov(o1.qv(o,t,o,s),(0.5-g)/2))}else{m=(u-t)/(q-p);n=-1/m;c=t-m*p;d=s-n*o;r=(d-c)/(m-n);v=m*r+c;g=$wnd.Math.sqrt((r-o)*(r-o)+(v-s)*(v-s));g<0.5&&(f[k++]=new o1.ov(o1.qv(r,v,o,s),(0.5-g)/2))}continue}if(h<0.5){f[k++]=new o1.ov(o1.qv(p,t,o,s),(0.5-h)/2);continue}if(i<0.5){f[k++]=new o1.ov(o1.qv(q,u,o,s),(0.5-i)/2);continue}}if(k>0){j=o1.Vu(f,k);a.a[b]+=j.b*$wnd.Math.sin(j.a);a.b[b]+=j.b*$wnd.Math.cos(j.a)}};o1.Kv=function Kv(a,b,c,d){var e,f,g;for(g=0;g<a.e.length;g++){f=$wnd.Math.sqrt((a.a[g]-b)*(a.a[g]-b)+(a.b[g]-c)*(a.b[g]-c));e=o1.qv(b,c,a.a[g],a.b[g])+d;a.a[g]=b+f*$wnd.Math.sin(e);a.b[g]=c+f*$wnd.Math.cos(e)}};o1.Lv=function Lv(a,b,c){var d;for(d=0;d<a.e.length;d++){a.a[d]+=b;a.b[d]+=c}};o1.Mv=function Mv(a,b,c){this.j=a;this.i=c;this.e=cM(g1.xN,e2,5,b,15,1);this.k=cM(g1.xN,e2,5,b,15,1);this.a=cM(g1.vN,i3,5,b,15,1);this.b=cM(g1.vN,i3,5,b,15,1)};
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IB(a,b,c,d){return {x:a,y:b,width:c,height:d}};t1.JB=function JB(){t1.HB();t1.KB.call(this,32,32,null)};t1.KB=function KB(a,b,c){t1.HB();c?(this.a=c):(this.a=new l1.ot(a,b))};t1.LB=function LB(a){t1.HB();t1.KB.call(this,0,0,a)};t1.nC=function nC(a,b){return {molecule:a,map:b}};t1.DC=function DC(a,b){t1.HB();var c;typeof b===N4&&(b=true);typeof b===M1?(c=t1.FC(a,b)):typeof b===O1&&(c=t1.EC(a,b));return c};t1.EC=function EC(a,b){return new t1.LB(l1.Do(new l1.Lo(false),a,b))};t1.FC=function FC(a,b){return new t1.LB(l1.Co(new l1.Lo(b),a))};t1.GC=function GC(a){t1.HB();return new t1.LB(l1.Mp(new l1.eq,a))};t1.HC=function HC(a){t1.HB();var b,c,d;d=new l1.fq;c=(d.j=null,l1.cq(d,new C1.fS(new C1.jS(a)))?d.j:null);b=d.f==null?l1.bn(d.j):d.f;return t1.nC(new t1.LB(c),b)};t1.IC=function IC(a,b){t1.HB();b=b||{};var c=!b.noCoordinates;var d=!b.noStereo;return t1.JC(a,c,d)};t1.JC=function JC(a,b,c){var d,e,f;f=new l1.Fs;e=new t1.JB;l1.us(f,e.a,k1.H0((d=a,k1.C0(),d)),b,c);return e};t1.RC=function 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b,c,d;b=~g1.wM(a)+1&U3;c=~g1.xM(a)+(b==0?1:0)&U3;d=~g1.vM(a)+(b==0&&c==0?1:0)&R4;g1.GM(a,b);g1.HM(a,c);g1.FM(a,d)};g1.AM=function AM(a){var b,c;c=$T(g1.vM(a));if(c==32){b=$T(g1.xM(a));return b==32?$T(g1.wM(a))+32:b+20-10}else{return c-12}};g1.BM=function BM(a){var b,c,d;c=g1.wM(a);if((c&c-1)!=0){return -1}d=g1.xM(a);if((d&d-1)!=0){return -1}b=g1.vM(a);if((b&b-1)!=0){return -1}if(b==0&&d==0&&c==0){return -1}if(b==0&&d==0&&c!=0){return _T(c)}if(b==0&&d!=0&&c==0){return _T(d)+22}if(b!=0&&d==0&&c==0){return _T(b)+44}return -1};g1.CM=function CM(a,b){a.h|=1<<b};g1.DM=function DM(a,b){a.l|=1<<b};g1.EM=function EM(a,b){a.m|=1<<b};g1.FM=function FM(a,b){a.h=b};g1.GM=function GM(a,b){a.l=b};g1.HM=function HM(a,b){a.m=b};g1.IM=function IM(a){return g1.wM(a)+g1.xM(a)*o4+g1.vM(a)*S4};g1.JM=function JM(a){var b,c,d;c=g1.xM(a);d=g1.vM(a);b=g1.wM(a);g1.FM(a,d>>>1);g1.HM(a,c>>>1|(d&1)<<21);g1.GM(a,b>>>1|(c&1)<<21)};g1.KM=function KM(a,b){var c,d,e;e=g1.vM(a)-g1.vM(b);if(e<0){return false}c=g1.wM(a)-g1.wM(b);d=g1.xM(a)-g1.xM(b)+(c>>22);e+=d>>22;if(e<0){return false}g1.GM(a,c&U3);g1.HM(a,d&U3);g1.FM(a,e&R4);return true};g1.LM=function LM(a,b){var c,d,e;c=g1.wM(a)+g1.wM(b);d=g1.xM(a)+g1.xM(b)+(c>>22);e=g1.vM(a)+g1.vM(b)+(d>>22);return g1.pM(c&U3,d&U3,e&R4)};g1.MM=function MM(a,b){return g1.pM(g1.wM(a)&g1.wM(b),g1.xM(a)&g1.xM(b),g1.vM(a)&g1.vM(b))};g1.NM=function NM(a,b){var c,d,e,f,g,h,i,j;i=g1.vM(a)>>19;j=g1.vM(b)>>19;if(i!=j){return j-i}e=g1.vM(a);h=g1.vM(b);if(e!=h){return e-h}d=g1.xM(a);g=g1.xM(b);if(d!=g){return d-g}c=g1.wM(a);f=g1.wM(b);return c-f};g1.OM=function OM(a){var b,c,d,e,f;if(isNaN(a)){return g1.dN(),g1.cN}if(a<-9223372036854775808){return g1.dN(),g1.aN}if(a>=9223372036854775807){return g1.dN(),g1._M}e=false;if(a<0){e=true;a=-a}d=0;if(a>=S4){d=sN(a/S4);a-=d*S4}c=0;if(a>=o4){c=sN(a/o4);a-=c*o4}b=sN(a);f=g1.pM(b,c,d);e&&g1.zM(f);return f};g1.PM=function PM(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G;c=g1.wM(a)&8191;d=g1.wM(a)>>13|(g1.xM(a)&15)<<9;e=g1.xM(a)>>4&8191;f=g1.xM(a)>>17|(g1.vM(a)&255)<<5;g=(g1.vM(a)&1048320)>>8;h=g1.wM(b)&8191;i=g1.wM(b)>>13|(g1.xM(b)&15)<<9;j=g1.xM(b)>>4&8191;k=g1.xM(b)>>17|(g1.vM(b)&255)<<5;l=(g1.vM(b)&1048320)>>8;B=c*h;C=d*h;D=e*h;F=f*h;G=g*h;if(i!=0){C+=c*i;D+=d*i;F+=e*i;G+=f*i}if(j!=0){D+=c*j;F+=d*j;G+=e*j}if(k!=0){F+=c*k;G+=d*k}l!=0&&(G+=c*l);n=B&U3;o=(C&511)<<13;m=n+o;q=B>>22;r=C>>9;s=(D&262143)<<4;t=(F&31)<<17;p=q+r+s+t;v=D>>18;w=F>>5;A=(G&4095)<<8;u=v+w+A;p+=m>>22;m&=U3;u+=p>>22;p&=U3;u&=R4;return g1.pM(m,p,u)};g1.QM=function QM(a){var b,c,d;b=~g1.wM(a)+1&U3;c=~g1.xM(a)+(b==0?1:0)&U3;d=~g1.vM(a)+(b==0&&c==0?1:0)&R4;return g1.pM(b,c,d)};g1.RM=function RM(a){return g1.pM(~g1.wM(a)&U3,~g1.xM(a)&U3,~g1.vM(a)&R4)};g1.SM=function SM(a,b){return g1.pM(g1.wM(a)|g1.wM(b),g1.xM(a)|g1.xM(b),g1.vM(a)|g1.vM(b))};g1.TM=function TM(a,b){var c,d,e;b&=63;if(b<22){c=g1.wM(a)<<b;d=g1.xM(a)<<b|g1.wM(a)>>22-b;e=g1.vM(a)<<b|g1.xM(a)>>22-b}else if(b<44){c=0;d=g1.wM(a)<<b-22;e=g1.xM(a)<<b-22|g1.wM(a)>>44-b}else{c=0;d=0;e=g1.wM(a)<<b-44}return g1.pM(c&U3,d&U3,e&R4)};g1.UM=function UM(a,b){var c,d,e,f,g;b&=63;c=g1.vM(a);d=(c&p3)!=0;d&&(c|=-1048576);if(b<22){g=c>>b;f=g1.xM(a)>>b|c<<22-b;e=g1.wM(a)>>b|g1.xM(a)<<22-b}else if(b<44){g=d?R4:0;f=c>>b-22;e=g1.xM(a)>>b-22|c<<44-b}else{g=d?R4:0;f=d?U3:0;e=c>>b-44}return g1.pM(e&U3,f&U3,g&R4)};g1.VM=function VM(a,b){var c,d,e,f;b&=63;c=g1.vM(a)&R4;if(b<22){f=c>>>b;e=g1.xM(a)>>b|c<<22-b;d=g1.wM(a)>>b|g1.xM(a)<<22-b}else if(b<44){f=0;e=c>>>b-22;d=g1.xM(a)>>b-22|g1.vM(a)<<44-b}else{f=0;e=0;d=c>>>b-44}return g1.pM(d&U3,e&U3,f&R4)};g1.WM=function WM(a,b){var c,d,e;c=g1.wM(a)-g1.wM(b);d=g1.xM(a)-g1.xM(b)+(c>>22);e=g1.vM(a)-g1.vM(b)+(d>>22);return g1.pM(c&U3,d&U3,e&R4)};g1.XM=function XM(a){if(g1.NM(a,(g1.dN(),g1.cN))<0){return -g1.IM(g1.QM(a))}return g1.wM(a)+g1.xM(a)*o4+g1.vM(a)*S4};g1.YM=function YM(a){return g1.wM(a)|g1.xM(a)<<22};g1.ZM=function ZM(a){var b,c,d,e,f;if(g1.wM(a)==0&&g1.xM(a)==0&&g1.vM(a)==0){return '0'}if(g1.vM(a)==p3&&g1.xM(a)==0&&g1.wM(a)==0){return '-9223372036854775808'}if(g1.vM(a)>>19!=0){return '-'+g1.ZM(g1.QM(a))}c=a;d='';while(!(g1.wM(c)==0&&g1.xM(c)==0&&g1.vM(c)==0)){e=g1.nM(T4);c=g1.qM(c,e,true);b=''+g1.YM(g1.mM);if(!(g1.wM(c)==0&&g1.xM(c)==0&&g1.vM(c)==0)){f=9-k1.b1(b).length;for(;f>0;f--){b='0'+b}}d=b+d}return d};g1.$M=function $M(a,b){return g1.pM(g1.wM(a)^g1.wM(b),g1.xM(a)^g1.xM(b),g1.vM(a)^g1.vM(b))};g1.dN=function dN(){g1.dN=LR;g1._M=g1.pM(U3,U3,524287);g1.aN=g1.pM(0,0,p3);g1.bN=g1.nM(1);g1.nM(2);g1.cN=g1.nM(0)};function UQ(a,b){var c;if(g1.iR(a)&&g1.iR(b)){c=g1.XQ(g1.YQ(a))+g1.XQ(g1.YQ(b));if(U4<c&&c<S4){return g1.bR(c)}}return g1.aR(g1.LM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b)))}
92
+ function VQ(a,b){return g1.aR(g1.MM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b)))}
93
+ g1.WQ=function WQ(a){return a};g1.XQ=function XQ(a){return a};g1.YQ=function YQ(a){return a};g1.ZQ=function ZQ(a){return a|0};function $Q(a,b){var c;if(g1.iR(a)&&g1.iR(b)){c=g1.XQ(g1.YQ(a))-g1.XQ(g1.YQ(b));if(!isNaN(c)){return c}}return g1.NM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b))}
94
+ g1._Q=function _Q(a){return a};g1.aR=function aR(a){var b;b=g1.vM(a);if(b==0){return g1.bR(g1.wM(a)+g1.xM(a)*o4)}if(b==R4){return g1.bR(g1.wM(a)+g1.xM(a)*o4-S4)}return g1._Q(a)};g1.bR=function bR(a){return a};function cR(a,b){var c;if(g1.iR(a)&&g1.iR(b)){c=g1.XQ(g1.YQ(a))/g1.XQ(g1.YQ(b));if(U4<c&&c<S4){return g1.bR(c<0?$wnd.Math.ceil(c):$wnd.Math.floor(c))}}return g1.aR(g1.qM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b),false))}
95
+ function dR(a,b){return $Q(a,b)==0}
96
+ function eR(a){if(U4<a&&a<S4){return g1.bR(a<0?$wnd.Math.ceil(a):$wnd.Math.floor(a))}return g1.aR(g1.OM(a))}
97
+ function fR(a){return g1.bR(a)}
98
+ function gR(a,b){return $Q(a,b)>0}
99
+ function hR(a,b){return $Q(a,b)>=0}
100
+ g1.iR=function iR(a){return typeof a===N1};function jR(a,b){return $Q(a,b)<0}
101
+ function kR(a,b){return $Q(a,b)<=0}
102
+ function lR(a,b){var c;if(g1.iR(a)&&g1.iR(b)){c=g1.XQ(g1.YQ(a))%g1.XQ(g1.YQ(b));if(U4<c&&c<S4){return g1.bR(c)}}return g1.aR((g1.qM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b),true),g1.mM))}
103
+ function mR(a,b){var c;if(g1.iR(a)&&g1.iR(b)){c=g1.XQ(g1.YQ(a))*g1.XQ(g1.YQ(b));if(U4<c&&c<S4){return g1.bR(c)}}return g1.aR(g1.PM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b)))}
104
+ function nR(a){var b;if(g1.iR(a)){b=0-g1.XQ(g1.YQ(a));if(!isNaN(b)){return g1.bR(b)}}return g1.aR(g1.QM(g1.WQ(a)))}
105
+ function oR(a,b){return $Q(a,b)!=0}
106
+ function pR(a){return g1.aR(g1.RM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a)))}
107
+ function qR(a,b){return g1.aR(g1.SM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b)))}
108
+ function rR(a,b){return g1.aR(g1.TM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),b))}
109
+ function sR(a,b){return g1.aR(g1.UM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),b))}
110
+ function tR(a,b){return g1.aR(g1.VM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),b))}
111
+ function uR(a,b){var c;if(g1.iR(a)&&g1.iR(b)){c=g1.XQ(g1.YQ(a))-g1.XQ(g1.YQ(b));if(U4<c&&c<S4){return g1.bR(c)}}return g1.aR(g1.WM(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b)))}
112
+ g1.vR=function vR(a){var b,c,d,e;e=g1.XQ(a);d=0;if(e<0){e+=S4;d=R4}c=sN(e/o4);b=sN(e-c*o4);return g1.pM(b,c,d)};function wR(a){var b;if(g1.iR(a)){b=g1.XQ(g1.YQ(a));return b==-0.?0:b}return g1.XM(g1.WQ(a))}
113
+ function xR(a){if(g1.iR(a)){return g1.ZQ(g1.XQ(g1.YQ(a)))}return g1.YM(g1.WQ(a))}
114
+ function yR(a){if(g1.iR(a)){return ''+g1.XQ(g1.YQ(a))}return g1.ZM(g1.WQ(a))}
115
+ function zR(a,b){return g1.aR(g1.$M(g1.iR(a)?g1.vR(g1.YQ(a)):g1.WQ(a),g1.iR(b)?g1.vR(g1.YQ(b)):g1.WQ(b)))}
116
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117
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qR(c,d)};g1.uN=cT('C');g1.NQ=cT('S');g1.tN=cT('B');g1.xN=cT('I');g1.OQ=cT('Z');g1.vN=cT('D');g1.wN=cT('F');g1.yN=cT('J');t1.HB();_=PR('OCL.Molecule',t1.KB);_.CANONIZER_ASSIGN_PARITIES_TO_TETRAHEDRAL_N=t1.hx;_.CANONIZER_CONSIDER_DIASTEREOTOPICITY=t1.ix;_.CANONIZER_CONSIDER_ENANTIOTOPICITY=t1.jx;_.CANONIZER_CONSIDER_STEREOHETEROTOPICITY=t1.kx;_.CANONIZER_COORDS_ARE_3D=t1.lx;_.CANONIZER_CREATE_PSEUDO_STEREO_GROUPS=t1.mx;_.CANONIZER_CREATE_SYMMETRY_RANK=t1.nx;_.CANONIZER_DISTINGUISH_RACEMIC_OR_GROUPS=t1.ox;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS=t1.px;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS_WITHOUT_RANKING=t1.qx;_.CANONIZER_ENCODE_ATOM_SELECTION=t1.rx;_.CANONIZER_NEGLECT_ANY_STEREO_INFORMATION=t1.sx;_.CANONIZER_TIE_BREAK_FREE_VALENCE_ATOMS=t1.tx;_.FISCHER_PROJECTION_LIMIT=t1.ux;_.FISCHER_PROJECTION_RING_LIMIT=t1.vx;_.STEREO_ANGLE_LIMIT=t1.wx;_.VALIDATION_ERRORS_STEREO=t1.xx;_.VALIDATION_ERROR_AMBIGUOUS_CONFIGURATION=t1.yx;_.VALIDATION_ERROR_ESR_CENTER_UNKNOWN=t1.zx;_.VALIDATION_ERROR_OVER_UNDER_SPECIFIED=t1.Ax;_.cAtomCIPParityNone=t1.Bx;_.cAtomCIPParityProblem=t1.Cx;_.cAtomCIPParityRorM=t1.Dx;_.cAtomCIPParitySorP=t1.Ex;_.cAtomColorBlue=t1.Fx;_.cAtomColorDarkGreen=t1.Gx;_.cAtomColorDarkRed=t1.Hx;_.cAtomColorGreen=t1.Ix;_.cAtomColorMagenta=t1.Jx;_.cAtomColorNone=t1.Kx;_.cAtomColorOrange=t1.Lx;_.cAtomColorRed=t1.Mx;_.cAtomLabel=t1.Nx;_.cAtomParity1=t1.Ox;_.cAtomParity2=t1.Px;_.cAtomParityIsPseudo=t1.Qx;_.cAtomParityNone=t1.Rx;_.cAtomParityUnknown=t1.Sx;_.cAtomQFAny=t1.Tx;_.cAtomQFAromState=t1.Ux;_.cAtomQFAromStateBits=t1.Vx;_.cAtomQFAromStateShift=t1.Wx;_.cAtomQFAromatic=t1.Xx;_.cAtomQFCharge=t1.Yx;_.cAtomQFChargeBits=t1.Zx;_.cAtomQFChargeShift=t1.$x;_.cAtomQFENeighbourBits=t1._x;_.cAtomQFENeighbourShift=t1.ay;_.cAtomQFENeighbours=t1.by;_.cAtomQFExcludeGroup=t1.cy;_.cAtomQFFlatNitrogen=t1.dy;_.cAtomQFHeteroAromatic=t1.ey;_.cAtomQFHydrogen=t1.fy;_.cAtomQFHydrogenBits=t1.gy;_.cAtomQFHydrogenShift=t1.hy;_.cAtomQFIsNotStereo=t1.iy;_.cAtomQFIsStereo=t1.jy;_.cAtomQFMatchStereo=t1.ky;_.cAtomQFMoreNeighbours=t1.ly;_.cAtomQFNarrowing=t1.my;_.cAtomQFNeighbourBits=t1.ny;_.cAtomQFNeighbourShift=t1.oy;_.cAtomQFNeighbours=t1.py;_.cAtomQFNewRingSize=t1.qy;_.cAtomQFNewRingSizeBits=t1.ry;_.cAtomQFNewRingSizeShift=t1.sy;_.cAtomQFNoMoreNeighbours=t1.ty;_.cAtomQFNoOfBits=t1.uy;_.cAtomQFNot0ENeighbours=t1.vy;_.cAtomQFNot0Hydrogen=t1.wy;_.cAtomQFNot0Neighbours=t1.xy;_.cAtomQFNot0PiElectrons=t1.yy;_.cAtomQFNot1ENeighbour=t1.zy;_.cAtomQFNot1Hydrogen=t1.Ay;_.cAtomQFNot1Neighbour=t1.By;_.cAtomQFNot1PiElectron=t1.Cy;_.cAtomQFNot2ENeighbours=t1.Dy;_.cAtomQFNot2Hydrogen=t1.Ey;_.cAtomQFNot2Neighbours=t1.Fy;_.cAtomQFNot2PiElectrons=t1.Gy;_.cAtomQFNot2RingBonds=t1.Hy;_.cAtomQFNot3ENeighbours=t1.Iy;_.cAtomQFNot3Hydrogen=t1.Jy;_.cAtomQFNot3Neighbours=t1.Ky;_.cAtomQFNot3RingBonds=t1.Ly;_.cAtomQFNot4ENeighbours=t1.My;_.cAtomQFNot4Neighbours=t1.Ny;_.cAtomQFNot4RingBonds=t1.Oy;_.cAtomQFNotAromatic=t1.Py;_.cAtomQFNotChain=t1.Qy;_.cAtomQFNotCharge0=t1.Ry;_.cAtomQFNotChargeNeg=t1.Sy;_.cAtomQFNotChargePos=t1.Ty;_.cAtomQFPiElectronBits=t1.Uy;_.cAtomQFPiElectronShift=t1.Vy;_.cAtomQFPiElectrons=t1.Wy;_.cAtomQFRingSize0=t1.Xy;_.cAtomQFRingSize3=t1.Yy;_.cAtomQFRingSize4=t1.Zy;_.cAtomQFRingSize5=t1.$y;_.cAtomQFRingSize6=t1._y;_.cAtomQFRingSize7=t1.az;_.cAtomQFRingSizeLarge=t1.bz;_.cAtomQFRingState=t1.cz;_.cAtomQFRingStateBits=t1.dz;_.cAtomQFRingStateShift=t1.ez;_.cAtomQFRxnParityBits=t1.fz;_.cAtomQFRxnParityHint=t1.gz;_.cAtomQFRxnParityInvert=t1.hz;_.cAtomQFRxnParityRacemize=t1.iz;_.cAtomQFRxnParityRetain=t1.jz;_.cAtomQFRxnParityShift=t1.kz;_.cAtomQFSimpleFeatures=t1.lz;_.cAtomQFSmallRingSize=t1.mz;_.cAtomQFSmallRingSizeBits=t1.nz;_.cAtomQFSmallRingSizeShift=t1.oz;_.cAtomQFStereoState=t1.pz;_.cAtomQFStereoStateBits=t1.qz;_.cAtomQFStereoStateShift=t1.rz;_.cAtomRadicalState=t1.sz;_.cAtomRadicalStateD=t1.tz;_.cAtomRadicalStateNone=t1.uz;_.cAtomRadicalStateS=t1.vz;_.cAtomRadicalStateShift=t1.wz;_.cAtomRadicalStateT=t1.xz;_.cAtomValence=t1.yz;_.cBondCIPParityEorP=t1.zz;_.cBondCIPParityNone=t1.Az;_.cBondCIPParityProblem=t1.Bz;_.cBondCIPParityZorM=t1.Cz;_.cBondParityEor1=t1.Dz;_.cBondParityNone=t1.Ez;_.cBondParityUnknown=t1.Fz;_.cBondParityZor2=t1.Gz;_.cBondQFAllFeatures=t1.Hz;_.cBondQFAromState=t1.Iz;_.cBondQFAromStateBits=t1.Jz;_.cBondQFAromStateShift=t1.Kz;_.cBondQFAromatic=t1.Lz;_.cBondQFBondTypes=t1.Mz;_.cBondQFBondTypesBits=t1.Nz;_.cBondQFBondTypesShift=t1.Oz;_.cBondQFBridge=t1.Pz;_.cBondQFBridgeBits=t1.Qz;_.cBondQFBridgeMin=t1.Rz;_.cBondQFBridgeMinBits=t1.Sz;_.cBondQFBridgeMinShift=t1.Tz;_.cBondQFBridgeShift=t1.Uz;_.cBondQFBridgeSpan=t1.Vz;_.cBondQFBridgeSpanBits=t1.Wz;_.cBondQFBridgeSpanShift=t1.Xz;_.cBondQFDelocalized=t1.Yz;_.cBondQFDouble=t1.Zz;_.cBondQFMatchFormalOrder=t1.$z;_.cBondQFMatchStereo=t1._z;_.cBondQFMetalLigand=t1.aA;_.cBondQFNarrowing=t1.bA;_.cBondQFNoOfBits=t1.cA;_.cBondQFNotAromatic=t1.dA;_.cBondQFNotRing=t1.eA;_.cBondQFQuadruple=t1.fA;_.cBondQFQuintuple=t1.gA;_.cBondQFRareBondTypes=t1.hA;_.cBondQFRareBondTypesBits=t1.iA;_.cBondQFRareBondTypesShift=t1.jA;_.cBondQFRing=t1.kA;_.cBondQFRingSize=t1.lA;_.cBondQFRingSizeBits=t1.mA;_.cBondQFRingSizeShift=t1.nA;_.cBondQFRingState=t1.oA;_.cBondQFRingStateBits=t1.pA;_.cBondQFRingStateShift=t1.qA;_.cBondQFSimpleFeatures=t1.rA;_.cBondQFSingle=t1.sA;_.cBondQFTriple=t1.tA;_.cBondTypeCross=t1.uA;_.cBondTypeDeleted=t1.vA;_.cBondTypeDelocalized=t1.wA;_.cBondTypeDouble=t1.xA;_.cBondTypeDown=t1.yA;_.cBondTypeIncreaseOrder=t1.zA;_.cBondTypeMaskSimple=t1.AA;_.cBondTypeMaskStereo=t1.BA;_.cBondTypeMetalLigand=t1.CA;_.cBondTypeQuadruple=t1.DA;_.cBondTypeQuintuple=t1.EA;_.cBondTypeSingle=t1.FA;_.cBondTypeTriple=t1.GA;_.cBondTypeUp=t1.HA;_.cChiralityDiastereomers=t1.IA;_.cChiralityEpimers=t1.JA;_.cChiralityIsomerCountMask=t1.KA;_.cChiralityKnownEnantiomer=t1.LA;_.cChiralityMeso=t1.MA;_.cChiralityNotChiral=t1.NA;_.cChiralityRacemic=t1.OA;_.cChiralityUnknown=t1.PA;_.cChiralityUnknownEnantiomer=t1.QA;_.cCommonOxidationState=t1.RA;_.cDefaultAVBL=t1.SA;_.cDefaultAllowedPseudoAtoms=t1.TA;_.cDefaultAtomValence=t1.UA;_.cESRGroupBits=t1.VA;_.cESRMaxGroups=t1.WA;_.cESRTypeAbs=t1.XA;_.cESRTypeAnd=t1.YA;_.cESRTypeOr=t1.ZA;_.cHelperAll=t1.$A;_.cHelperBitCIP=t1._A;_.cHelperBitIncludeNitrogenParities=t1.aB;_.cHelperBitNeighbours=t1.bB;_.cHelperBitParities=t1.cB;_.cHelperBitRings=t1.dB;_.cHelperBitRingsSimple=t1.eB;_.cHelperBitSymmetrySimple=t1.fB;_.cHelperBitSymmetryStereoHeterotopicity=t1.gB;_.cHelperBitsStereo=t1.hB;_.cHelperCIP=t1.iB;_.cHelperNeighbours=t1.jB;_.cHelperNone=t1.kB;_.cHelperParities=t1.lB;_.cHelperRings=t1.mB;_.cHelperRingsSimple=t1.nB;_.cHelperSymmetrySimple=t1.oB;_.cHelperSymmetryStereoHeterotopicity=t1.pB;_.cMaxAtomicNo=t1.qB;_.cMaxConnAtoms=t1.rB;_.cMoleculeColorDefault=t1.sB;_.cMoleculeColorNeutral=t1.tB;_.cPseudoAtomA=t1.uB;_.cPseudoAtomAttachmentPoint=t1.vB;_.cPseudoAtomPolymer=t1.wB;_.cPseudoAtomR=t1.xB;_.cPseudoAtomX=t1.yB;_.cPseudoAtomsAGroups=t1.zB;_.cPseudoAtomsAll=t1.AB;_.cPseudoAtomsAminoAcids=t1.BB;_.cPseudoAtomsHydrogenIsotops=t1.CB;_.cPseudoAtomsRGroups=t1.DB;_.cRoundedMass=t1.EB;_.fromIDCode=t1.DC;_.fromMolfile=t1.GC;_.fromMolfileWithAtomMap=t1.HC;_.fromSmiles=t1.IC;_.getAngle=t1.RC;_.getAngleDif=t1.SC;_.getAtomicNoFromLabel=t1.pD;_.getDefaultAverageBondLength=t1.TD;_.isAtomicNoElectronegative=t1.ZE;_.isAtomicNoElectropositive=t1.$E;_.setDefaultAverageBondLength=t1.vG;_=PR('OCL.Reaction');_.create=t1.jH;_.fromMolecules=t1.kH;_.fromRxn=t1.lH;_.fromSmiles=t1.mH;_=PR('OCL.RingCollection');_.MAX_SMALL_RING_SIZE=t1.MH;_.MODE_SMALL_AND_LARGE_RINGS=t1.NH;_.MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY=t1.OH;_.MODE_SMALL_RINGS_AND_AROMATICITY=t1.PH;_.MODE_SMALL_RINGS_ONLY=t1.QH;_=PR('OCL.SDFileParser',t1.jI);_=PR('OCL.SSSearcher',t1.vI);_=PR('OCL.SSSearcherWithIndex',t1.CI);_.bitCount=t1.DI;_.getHexStringFromIndex=t1.FI;_.getIndexFromHexString=t1.GI;_.getKeyIDCode=t1.HI;_.getSimilarityAngleCosine=t1.JI;_.getSimilarityTanimoto=t1.KI;_=PR('OCL.SmilesParser',t1.QI);_=PR('OCL.Util',t1.XI);_.getHoseCodesFromDiastereotopicID=t1.YI;_=PR('java.io.Serializable');_.$isInstance=hS;h1.AS();_=PR('java.lang.Boolean');_.$isInstance=GS;_=PR('java.lang.CharSequence');_.$isInstance=JS;_=PR('java.lang.Cloneable');_.$isInstance=oT;_=PR('java.lang.Comparable');_.$isInstance=pT;_=PR('java.lang.Double');_.$isInstance=AT;_=PR('java.lang.Number');_.$isInstance=h1.rT;_=PR('java.lang.String');_.$isInstance=CU;_=PR('java.lang.Throwable');_.of=RJ;_=PR('javaemul.internal.HashCodes',k1.K0);_.getIdentityHashCode=k1.L0;_.getNextHash=k1.M0;_.getObjectIdentityHashCode=k1.N0;_=PR('javaemul.internal.JsUtils');_.toDoubleFromUnsignedInt=k1.a1;var f1=(j1.EK(),HK);var gwtOnLoad=gwtOnLoad=ER;CR(SR);FR('permProps',[[['locale','default'],['user.agent','safari']]]);$sendStats('moduleStartup', 'moduleEvalEnd');gwtOnLoad(__gwtModuleFunction.__errFn, __gwtModuleFunction.__moduleName, __gwtModuleFunction.__moduleBase, __gwtModuleFunction.__softPermutationId,__gwtModuleFunction.__computePropValue);$sendStats('moduleStartup', 'end');$gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
132
134
 
133
135
 
134
136
  // End GWT code
135
137
 
136
138
  var toReturn = $wnd["OCL"];
137
139
 
138
- toReturn.version = '8.9.0';
140
+ toReturn.version = '8.10.0';
139
141
 
140
142
  return toReturn;
141
143
  }