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g=0==a.H.v[c]?(UR(),VR)[a.H.x[c]]:a.H.v[c],a=0==a.H.v[d]?(UR(),VR)[a.H.x[d]]:a.H.v[d],g>a;h=a.H.c;r=D(B,u,-1,h,1);y=D(B,u,-1,h,1);v=D(B,u,-1,h,1);t=D(zq,sl,-1,h,2);g=D(zq,sl,-1,a.H.o,2);r[0]=b;r[1]=c;r[2]=d;y[0]=-1;y[1]=0;y[2]=0;g[b]=!0;g[c]=!0;g[d]=!0;j=1;s=2;b=D(B,u,-1,64,1);b[1]=1;b[2]=3;for(d=2;j<=s;){for(;j<b[d];){l=r[j];if(!t[j]){for(A=o=n=0;A<a.H.f[l];++A){c=lR(a.H,\nl,A);s+a.H.j[l][A]+1>=h&&(h+=a.H.c,r=WR(r,h),y=WR(y,h),v=WR(v,h),t=(e=D(zq,sl,-1,h,2),XR(t,0,e,t.length),e));if(0!=(a.H.z[BR(a.H,l,A)]&512))++n,o+=a.H.x[c];else for(f=1;f<a.H.j[l][A];++f)++s,r[s]=c,y[s]=j,t[s]=!0;F=y[j];if(c!=r[F]){f=!1;if(g[c])for(F=y[F];-1!=F;){if(c==r[F]){f=!0;break}F=y[F]}f?(++s,r[s]=c,y[s]=j,t[s]=!0):(++s,r[s]=c,y[s]=j,g[c]=!0)}}0!=n&&(++s,v[s]=~~((o<<2)/n),y[s]=j,t[s]=!0)}++j;if(1E4==j)throw new Np("Emergency break in while 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bS,h[f].c=a[f+e],h[f].b=b[f+e],h[f].a=f+e;e=new cS;for(g=d;1<g;--g){for(f=0;f<c;++f)h[f].c+=a[h[f].b]<<16,h[f].b=b[h[f].b];HR(h,h.length,e?e:(IR(),IR(),JR));d=1;for(f=0;f<c;++f)a[h[f].a]=d,f!=c-1&&0!=(h[f].c!=h[f+1].c?h[f].c>h[f+1].c?1:-1:0)&&++d}}\nfunction $R(a,b,c,d,e,f,g,h){var j,l;for(l=1;l<h;++l){for(j=g[l];j<g[l+1];++j)c[j]=f[e[j]]+(c[d[j]]<<8);YR(a,b,c,d,e,g,l);if(c[1]!=c[2])return!0;1<l&&ZR(c,d,g,l)}return!1}\nfunction YR(a,b,c,d,e,f,g){for(var h,j,l,n,o,r;1<g;--g){o=f[g]-f[g-1];r=D(dS,q,4,o,0);h=f[g];for(j=0;j<o;++j){l=f[g-1]+j;for(n=h;n<f[g+1]&&d[n]==l;)++n;r[j]=new eS;r[j].c=l;r[j].d=c[l];r[j].b=b[l]?0:a.H.f[a.H.o+e[l]]-a.H.f[e[l]]+fS(a.H,e[l]);r[j].a=D(B,u,-1,n-h,1);for(l=h;l<n;++l)r[j].a[l-h]=c[l];gS(r[j].a);h=n}j=new hS;HR(r,r.length,j?j:(IR(),IR(),JR));h=1;for(j=0;j<o;++j)c[r[j].c]=h,j!=o-1&&0!=iS(r[j],r[j+1])&&++h}}\nfunction jS(a){var b,c;c=Aw([kS,nJ],[q,Ol],[89,88],[2,32],0,2,0);for(b=0;b<a.H.c;++b)a.D[b]&&(1==a.Q[b]?c[0][a.P[b]]=lS(c[0][a.P[b]],b):2==a.Q[b]&&(c[1][a.P[b]]=lS(c[0][a.P[b]],b)));return c}function sR(a,b){var c,d,e,f,g;e=mS(a.H);for(c=0;c<e.i.c;++c)if(e.d[c]&&nS(e,c,b)){for(d=fy(e.i,c),e=0,f=d.length;e<f;++e)if(c=d[e],c!=b)for(g=0;g<a.H.f[c];++g)if(rR(a.H,BR(a.H,c,g)))return!0;break}return!1}\nfunction oS(a,b,c){a.J=b;for(b=0;b<a.H.c;++b)a.c[b]=c[b],a.S[b]=0,a.W[b]=!1;for(c=0;c<a.H.d;++c)a.k[c]=0,a.o[c]=!1}function pS(a,b){var c,d;c=Y(a.H,0,b);if(c>=a.H.c)return!1;if(1==a.S[c]||2==a.S[c])return!0;if(3==a.S[c])return!1;d=qS(a.H,c);if(-1!=d)return 1==a.k[d]||2==a.k[d];for(d=0;d<a.H.f[c];++d)if(2==a.H.j[c][d]&&(1==a.S[lR(a.H,c,d)]||2==a.S[lR(a.H,c,d)]))return!0;return!1}function WR(a,b){var c;c=D(B,u,-1,b,1);XR(a,0,c,a.length);return c}\nfunction rS(a,b){var c;if(65535<a.o)throw new bn("Cannot canonize a molecule having more than 65535 atoms");if(65535<a.p)throw new bn("Cannot canonize a molecule having more than 65535 bonds");this.H=a;this.G=b;sS(this.H,3);var d,e,f,g,h,j,l,n,o,r,t,y,v,s,A,F,M,N,$,S;this.I=D(zq,sl,-1,this.H.c,2);for(d=0;d<this.H.c;++d)if(7==this.H.x[d])if(4==this.H.f[d])this.I[d]=!0;else if(3==this.H.f[d])if(1==this.H.q[d])this.I[d]=!0;else if(!tS(this.H,d))if(0!=(this.G&32))this.I[d]=!0;else if(3==uS(this.H,d)&&\n(S=vS(this.H,d),!(7<S))){N=mS(this.H);for($=0;$<N.i.c&&!(fy(N.j,$).length==S&&nS(N,$,d));)++$;o=n=-1;for(r=0;3>r;++r){l=BR(this.H,d,r);var V;a:{for(var ea=l,na=void 0,ta=void 0,ta=fy(N.j,$),na=0;na<ta.length;++na)if(ea==ta[na]){V=!0;break a}V=!1}if(!V){n=lR(this.H,d,r);o=l;break}}y=D(zq,sl,-1,this.H.d,2);y[o]=!0;v=D(B,u,-1,11,1);a:{var Yb=this.H,K=v,ra=n,yc=d,jd=y,wb=void 0,L=void 0,Ha=void 0,xb=void 0,Hc=void 0,tc=void 0,Ba=void 0,kd=void 0,ld=void 0;if(ra==yc)K[0]=ra,s=0;else{sS(Yb,1);xb=D(B,u,\n-1,Yb.o,1);Ha=D(B,u,-1,Yb.o,1);ld=D(B,u,-1,Yb.o,1);Ha[0]=ra;xb[ra]=1;for(Hc=L=0;L<=Hc&&10>=xb[Ha[L]];){kd=Ha[L];for(tc=0;tc<Yb.f[Yb.o+kd];++tc)if(null==jd||jd.length<=Yb.i[kd][tc]||!jd[Yb.i[kd][tc]]){wb=Yb.e[kd][tc];if(wb==yc){Ba=xb[kd];K[Ba]=wb;for(K[--Ba]=kd;0<Ba;)K[Ba-1]=ld[K[Ba]],--Ba;s=xb[kd];break a}0==xb[wb]&&(Ha[++Hc]=wb,xb[wb]=xb[kd]+1,ld[wb]=kd)}++L}s=-1}}if(-1!=s){for(f=1;!nS(N,$,v[f]);)++f;e=s-f;g=v[f];if(6==S&&2==e&&3==f&&3<=uS(this.H,v[1])){t=!1;M=fy(N.i,$);for(r=0;6>r;++r)if(d==M[r]){F=\nwS(N,$,g==M[wS(N,$,r+2)]?r-2:r+2);A=M[F];var va;if(va=3<=uS(this.H,A)){var Fa;a:{var ba=this.H,aa=v[1],Ya=A,Ab=void 0,Jc=void 0,cc=void 0,da=void 0,sd=void 0,W=void 0;if(aa==Ya)Fa=0;else{sS(ba,1);da=D(B,u,-1,ba.o,1);cc=D(B,u,-1,ba.o,1);cc[0]=aa;da[aa]=1;for(sd=Jc=0;Jc<=sd&&2>=da[cc[Jc]];){for(W=0;W<ba.f[ba.o+cc[Jc]];++W){Ab=ba.e[cc[Jc]][W];if(Ab==Ya){Fa=da[cc[Jc]];break a}0==da[Ab]&&(cc[++sd]=Ab,da[Ab]=da[cc[Jc]]+1)}++Jc}Fa=-1}}va=2==Fa}va&&(t=!0);break}if(t){this.I[d]=!0;continue}}h=1==this.H.k[g]||\n0!=(this.H.s[g]&4096)||tS(this.H,g);j=!h&&7==this.H.x[g]&&1!=this.H.q[g];if(1==e)!h&&!j&&4>=S&&3>=f&&(this.I[d]=!0);else switch(S){case 4:!h&&!j&&4>=f&&(this.I[d]=!0);break;case 5:j?3>=f&&(this.I[d]=!0):h||4>=f&&(this.I[d]=!0);break;case 6:2==e?h?4>=f&&(this.I[d]=!0):j||3>=f&&(this.I[d]=!0):3==e&&(h?6>=f&&(this.I[d]=!0):4>=f&&(this.I[d]=!0));break;case 7:3==e&&3>=f&&(this.I[d]=!0)}}}for(c=0;c<this.H.c;++c)if(0!=yR(this.H,c)){this.X=!0;break}this.S=D(lM,cm,-1,this.H.c,1);this.T=D(zq,sl,-1,this.H.c,\n2);this.W=D(zq,sl,-1,this.H.c,2);this.k=D(lM,cm,-1,this.H.d,1);this.o=D(zq,sl,-1,this.H.d,2);this.n=D(zq,sl,-1,this.H.d,2);var O,kb,Ia,ce,U,ga,$c,Kc,Oa,eb,Lc,de,wd;$c=!1;if(this.H.E)for(U=0;U<this.H.d;++U)if(0!=this.H.A[U]){$c=!0;break}this.E=2;for(O=0;O<this.H.c;++O)this.E=gn(this.E,this.H.f[O]+QR(this.H,O));ce=gn(2,$c?~~((78+36*this.E)/63):~~((78+21*this.E)/63));this.c=D(B,u,-1,this.H.o,1);this.b=D(xS,q,6,this.H.c,0);for(O=0;O<this.H.c;++O)this.b[O]=new yS(ce);Ia=!1;for(O=0;O<this.H.c;++O){SR(this.b[O],\nO);0!=(this.H.w[O]&1)||null!=zS(this.H,O)?TR(this.b[O],8,EQ):TR(this.b[O],8,lx(this.H.x[O]));TR(this.b[O],8,lx(this.H.v[O]));TR(this.b[O],2,lx(this.H.k[O]));TR(this.b[O],4,lx(this.H.f[O]+QR(this.H,O)));0!=(this.H.w[O]&1)?TR(this.b[O],4,Wk):TR(this.b[O],4,lx(8+this.H.q[O]));TR(this.b[O],5,lx(AS(31,vS(this.H,O))));var Wc=this.b[O],Kb=O,ob=void 0,dc=void 0,uc=void 0,$b=void 0,ob=((this.H.s[Kb]&-268435456)>>>28)-1,dc=BS(this.H,Kb,!1),uc=BS(this.H,Kb,!0),$b=-1;dc!=uc?-1!=ob&&ob>dc?$b=ob<<24>>24:$b=dc<<\n24>>24:-1!=ob?(ob>uc||ob<uc&&ob>=CS(this.H,Kb))&&($b=ob<<24>>24):!DS(this.H,Kb)&&0!=fS(this.H,Kb)&&($b=CS(this.H,Kb),$b-=ES(this.H,Kb,$b));var I=Kb,oc=$b;if(null==this.a)for(var ac=this.a=D(lM,cm,-1,this.H.c,1),zc=ac.length,vc=void 0,vc=0;vc<zc;++vc)ac[vc]=-1;this.a[I]=oc<<24>>24;TR(Wc,4,lx($b+1));TR(this.b[O],2,lx((this.H.s[O]&48)>>4));this.H.E&&(TR(this.b[O],30,lx(this.H.w[O])),null!=zS(this.H,O)&&(Ia=!0))}this.J=PR(this);if(this.J<this.H.c){for(O=0;O<this.H.c;++O){SR(this.b[O],O);TR(this.b[O],\n16,lx(this.c[O]));Kc=D(B,u,-1,this.H.f[O],1);for(Oa=0;Oa<this.H.f[O];++Oa)Kc[Oa]=this.c[lR(this.H,O,Oa)]<<5,Kc[Oa]|=AS(31,this.H.n&&BR(this.H,O,Oa)<this.H.d?this.H.n.b[BR(this.H,O,Oa)]:0);gS(Kc);for(Oa=this.E;Oa>Kc.length;--Oa)TR(this.b[O],21,Rk);for(Oa=Kc.length-1;0<=Oa;--Oa)TR(this.b[O],21,lx(Kc[Oa]))}this.J=PR(this)}if(Ia&&this.J<this.H.c){for(O=0;O<this.H.c;++O){SR(this.b[O],O);TR(this.b[O],16,lx(this.c[O]));kb=zS(this.H,O);de=null==kb?0:AS(12,kb.length);for(Oa=12;Oa>de;--Oa)TR(this.b[O],8,Rk);\nfor(Oa=de-1;0<=Oa;--Oa)TR(this.b[O],8,lx(kb[Oa]))}this.J=PR(this)}if($c&&this.J<this.H.c){for(O=0;O<this.H.c;++O){SR(this.b[O],O);TR(this.b[O],16,lx(this.c[O]));ga=D(bQ,gm,-1,this.H.f[O]+QR(this.H,O),3);for(Oa=eb=0;Oa<RR(this.H,O);++Oa)if(Oa<this.H.f[O]||Oa>=mR(this.H,O))ga[eb]=lx(this.c[lR(this.H,O,Oa)]),ga[eb]=fx(ga[eb],20),ga[eb]=FS(ga[eb],lx(this.H.A[BR(this.H,O,Oa)])),++eb;ga.sort(GS);for(Oa=this.E;Oa>ga.length;--Oa)TR(this.b[O],36,Rk);for(Oa=ga.length-1;0<=Oa;--Oa)TR(this.b[O],36,ga[Oa])}this.J=\nPR(this)}if(0!=(this.G&8)&&this.J<this.H.c){Lc=new HS;for(O=0;O<this.H.c;++O)if(null!=IS(this.H,O))a:{var xd=Lc,ee=IS(this.H,O),Hd=void 0,ad=void 0,Ob=void 0,ca=void 0,ca=xd.a.c;if(0==ca)kE(xd.a,0,ee);else{for(Ob=1;2*Ob<=ca;)Ob<<=1;ad=Ob;for(--Ob;0!=ad;)if(ad>>=1,Ob>=ca)Ob-=ad;else{Hd=JS(ee,fy(xd.a,Ob));if(0==Hd)break a;if(0==ad)break;0>Hd?Ob-=ad:Ob+=ad}Ob<ca&&0<JS(ee,fy(xd.a,Ob))&&++Ob;kE(xd.a,Ob,ee)}}for(O=0;O<this.H.c;++O){var Sd;if(null==IS(this.H,O))Sd=0;else{var Td;a:{var Je=Lc,Gb=IS(this.H,\nO),yd=void 0,fb=void 0,rb=void 0,Hb=void 0,Hb=Je.a.c;if(0!=Hb){for(rb=1;2*rb<=Hb;)rb<<=1;fb=rb;for(--rb;0!=fb;)if(fb>>=1,rb>=Hb)rb-=fb;else{yd=JS(Gb,fy(Je.a,rb));if(0==yd){Td=rb;break a}if(0==fb)break;0>yd?rb-=fb:rb+=fb}}Td=-1}Sd=1+Td}wd=Sd;SR(this.b[O],O);TR(this.b[O],16,lx(this.c[O]));TR(this.b[O],16,lx(wd))}this.J=PR(this)}if(0!=(this.G&16)&&this.J<this.H.c){for(O=0;O<this.H.c;++O)SR(this.b[O],O),TR(this.b[O],16,lx(this.c[O])),TR(this.b[O],1,lx(KS(this.H,O)?1:0));this.J=PR(this)}var Db,ec,fc,gb;\ngb=this.J;fc=D(B,u,-1,this.H.c,1);for(Db=0;Db<this.H.c;++Db)fc[Db]=this.c[Db];if(!this.H.E){var Id,md,bd,cd;this.C=!0;this.N=D(lM,cm,-1,this.H.c,1);this.e=D(lM,cm,-1,this.H.d,1);for(cd=LR(this,!0);this.J<this.H.c&&cd;){for(Id=0;Id<this.H.c;++Id)SR(this.b[Id],Id),TR(this.b[Id],20,lx(this.c[Id]<<4|this.S[Id]<<2));for(md=0;md<this.H.d;++md)pR(this.b[Y(this.H,0,md)],lx(this.k[md])),pR(this.b[Y(this.H,1,md)],lx(this.k[md]));bd=PR(this);if(this.J==bd)break;this.J=bd;cd=LR(this,!0)}oS(this,gb,fc)}this.Q=\nD(lM,cm,-1,this.H.c,1);this.P=D(lM,cm,-1,this.H.c,1);for(Db=0;Db<this.H.c;++Db)this.Q[Db]=LS(this.H,Db)<<24>>24,this.P[Db]=MS(this.H,Db)<<24>>24;this.j=D(lM,cm,-1,this.H.d,1);this.i=D(lM,cm,-1,this.H.d,1);for(ec=0;ec<this.H.d;++ec)this.j[ec]=(this.H.z[ec]&3072)>>10<<24>>24,this.i[ec]=NS(this.H,ec)<<24>>24;var gc,Ua,Mc,dd,fe,pb;this.C=!0;for(fe=LR(this,!1);this.J<this.H.c&&fe;){for(gc=0;gc<this.H.c;++gc){SR(this.b[gc],gc);TR(this.b[gc],16,lx(this.c[gc]));pb=this.S[gc]<<7;if((1==this.S[gc]||2==this.S[gc])&&\n0!=this.Q[gc])pb|=this.Q[gc]<<5,pb|=this.P[gc];TR(this.b[gc],18,lx(pb<<9))}for(Ua=0;Ua<this.H.d;++Ua){Mc=this.k[Ua]<<7;if((1==this.k[Ua]||2==this.k[Ua])&&1==this.H.B[Ua]&&0!=this.j[Ua])Mc|=this.j[Ua]<<5,Mc|=this.i[Ua];pR(this.b[Y(this.H,0,Ua)],lx(Mc));pR(this.b[Y(this.H,1,Ua)],lx(Mc))}dd=PR(this);if(this.J==dd)break;this.J=dd;fe=LR(this,!1)}this.M=!1;this.D=D(zq,sl,-1,this.H.c,2);for(Db=0;Db<this.H.c;++Db)0!=this.S[Db]&&(this.M=this.D[Db]=!0);var pc,ue;for(pc=0;pc<this.H.c;++pc)(!this.D[pc]||3==this.S[pc])&&\n(this.Q[pc]=0);for(ue=0;ue<this.H.d;++ue)(1!=this.H.B[ue]||0==this.k[ue]||3==this.k[ue])&&(this.j[ue]=0);this.F=null;this.R=D(zq,sl,-1,this.H.c,2);if(this.M){var T=this.F=new OS(this.H,fc,this.D,this.S,this.k,this.Q,this.P,this.W,this.o,this.R),ge,Wa,hc,qc,ic,Ja,Jd,lf;if(null!=T.i){Ja=new PS(T);T.b=new Om;for(qc=0;qc<T.i.length;++qc){for(var ab=void 0,ne=void 0,ne=ab=0;ne<Ja.b;++ne)Ja.e[ne][qc]&&-3==Ja.c[ne]&&++ab;hc=ab;if(0==hc){QS(Ja,qc);Jd=RS(T,qc,2);ge=RS(T,qc,1);Wa=SS(T,qc);if(1==Jd&&1==ge&&\n!Wa){for(var ve=T,Kd=qc,jc=Ja.a+Ja.f++,we=void 0,td=void 0,td=0;td<ve.i[Kd].length;++td)we=ve.i[Kd][td],2==ve.n[we]&&(ve.n[we]=1,ve.k[we]=jc<<24>>24);Rm(T.b,new TS(qc,1,-1,-1))}0<Jd?(Wa&&US(T,qc,Ja.j+Ja.i++,2),Rm(T.b,new TS(qc,1,-1,-1))):0<ge?(Wa&&US(T,qc,Ja.a+Ja.f++,1),Rm(T.b,new TS(qc,1,-1,-1))):Wa&&(US(T,qc,Ja.a+Ja.f++,1),Rm(T.b,new TS(qc,1,-1,-1)))}else if(1==hc)if(SS(T,qc)){a:{for(var Ud=void 0,Ud=0;Ud<Ja.b;++Ud)if(Ja.e[Ud][qc]&&-3==Ja.c[Ud]){ic=Ud<Ja.a?Ud:Ud<Ja.b?Ud-Ja.a:-1;break a}ic=-1}a:{for(var zd=\nvoid 0,zd=0;zd<Ja.b;++zd)if(Ja.e[zd][qc]&&-3==Ja.c[zd]){lf=zd<Ja.a?1:zd<Ja.b?2:0;break a}lf=-1}Rm(T.b,new TS(qc,2,ic,lf))}else QS(Ja,qc),Rm(T.b,new TS(qc,1,-1,-1))}}}this.U=D(zq,sl,-1,this.H.c,2);this.V=new Om;var Fb,Sc,sb,ed,xe,Vd,Ac,Nc;for(Fb=sb=0;Fb<this.H.c;++Fb)0!=this.Q[Fb]&&++sb;if(0!=sb){Nc=D(B,u,-1,sb,1);for(Fb=sb=0;Fb<this.H.c;++Fb)0!=this.Q[Fb]&&(Nc[sb]=this.Q[Fb]<<29|this.P[Fb]<<24|this.c[Fb]<<12|Fb,++sb);gS(Nc);Ac=ed=0;for(xe=Nc[0]&-16777216;;)if(++Ac,Ac==Nc.length||xe!=(Nc[Ac]&-16777216)){Sc=\nD(B,u,-1,Ac-ed,1);for(Vd=ed;Vd<Ac;++Vd)Fb=Nc[Vd]&4095,Sc[Vd-ed]=Fb,this.U[Fb]=!0;Rm(this.V,Sc);if(Ac==Nc.length)break;xe=Nc[Ac]&-16777216;ed=Ac}}oS(this,gb,fc);var rc,hb,kc,Ad,ye,Bd;this.C=!0;kc=jS(this);this.F&&VS(this.F,this.c)&&(kc=jS(this));LR(this,!1)&&OR(this);for(Bd=!0;this.J<this.H.c&&Bd;){for(var Bc=kc,Pa=void 0,Za=void 0,Cd=void 0,Wd=void 0,Cc=void 0,Va=void 0,Ve=void 0,We=void 0,nd=void 0,qg=void 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mf=this.F,Lh,Ke;Ke=!0;for(Lh=0;Lh<mf.j.c;++Lh)if(0!=mf.p[Lh]&&!mf.e[Lh]){Ke=!1;break}this.B=Ke}var rg,Eb,Xc,\nDd,nf,sg,Mg,Ef,Ca,Tf,Oc,of;Oc=Ca=Ef=Mg=sg=Tf=nf=0;of=!1;rg=D(zq,sl,-1,32,2);for(Eb=0;Eb<this.H.c;++Eb)0!=this.S[Eb]&&(++nf,3==this.S[Eb]?++Tf:0==this.Q[Eb]?(++sg,this.F&&this.F.e[Eb]&&++Mg):2==this.Q[Eb]?0==this.P[Eb]&&++Ca:1==this.Q[Eb]&&(Dd=this.P[Eb],rg[Dd]||(++Oc,rg[Dd]=!0),0==this.P[Eb]&&++Ef,this.F&&this.F.e[Eb]&&(of=!0)));for(Xc=0;Xc<this.H.d;++Xc)0!=this.k[Xc]&&1==this.H.B[Xc]&&(++nf,3==this.k[Xc]?++Tf:0==this.j[Xc]?(++sg,this.F&&this.F.e[Y(this.H,0,Xc)]&&this.F.e[Y(this.H,1,Xc)]&&++Mg):2==\nthis.j[Xc]?0==this.i[Xc]&&++Ca:1==this.j[Xc]&&(Dd=this.i[Xc],rg[Dd]||(++Oc,rg[Dd]=!0),0==this.i[Xc]&&++Ef,this.F&&this.F.e[Y(this.H,0,Xc)]&&this.F.e[Y(this.H,1,Xc)]&&(of=!0)));this.H.C=0==nf?65536:0!=Tf?0:this.B?131072+(1<<Oc):Ef+Mg==nf&&!of?196608:sg==nf?262144:Ca==nf?327680:sg==nf-1&&1==Ef?393216:458752+(1<<Oc);var Ib,Ff,Mh,Gf,pf;this.L=D(zq,sl,-1,this.H.c,2);this.K=D(zq,sl,-1,this.H.d,2);if(0!=(this.G&6))for(Ib=0;Ib<this.H.c;++Ib)SR(this.b[Ib],Ib),TR(this.b[Ib],28,lx(this.c[Ib]<<12));if(this.J<\nthis.H.c){for(Ib=Mh=0;Ib<this.H.c;++Ib)zR(this,Ib,!0)&&++Mh;for(Ff=0;Ff<this.H.d;++Ff)tR(this,Ff,!0)&&++Mh}0!=(this.G&6)&&(this.J=PR(this));if(0!=(this.G&1)){this.d=D(B,u,-1,this.H.c,1);for(Ib=0;Ib<this.H.c;++Ib)this.d[Ib]=this.c[Ib]}for(;this.J<this.H.c;){for(Ib=0;Ib<this.H.c;++Ib)SR(this.b[Ib],Ib),TR(this.b[Ib],17,lx(2*this.c[Ib]));pf=D(B,u,-1,this.J+1,1);for(Ib=0;Ib<this.H.c;++Ib)++pf[this.c[Ib]];for(Gf=1;1==pf[Gf];)++Gf;for(Ib=0;Ib<this.H.c;++Ib)if(this.c[Ib]==Gf){pR(this.b[Ib],Sk);break}this.J=\nPR(this);OR(this);this.F&&VS(this.F,this.c)}OR(this);var Ld,oe,Xd,ib,Uf,fd,Da,zl,Sh,hk,Ma,Ci,hh,Th,lc,Og,ik,Al;hh=D(zq,sl,-1,this.H.c,2);Th=D(zq,sl,-1,this.H.d,2);for(oe=Ld=0;oe<this.H.c;++oe)this.L[oe]&&!this.T[oe]&&zR(this,oe,!1)&&(this.T[oe]=!0,hh[oe]=!0,++Ld);for(Xd=0;Xd<this.H.d;++Xd)this.K[Xd]&&!this.n[Xd]&&tR(this,Xd,!1)&&(this.n[Xd]=!0,Th[Xd]=!0,++Ld);if(1==Ld){for(oe=0;oe<this.H.c;++oe)if(hh[oe]){this.S[oe]=0;break}for(Xd=0;Xd<this.H.d;++Xd)if(Th[Xd]){this.k[Xd]=0;break}}else if(1<Ld){var ih,\nUh,ug,jh,Vh,Pg,vg,Qg,mj,Bl,Yd,Le;if(!this.s){this.s=new Om;Bl=0;Yd=D(B,u,-1,this.H.c,1);Pg=D(B,u,-1,this.H.c,1);Qg=D(B,u,-1,this.H.d,1);for(ih=0;ih<this.H.c;++ih)if(0==Yd[ih]&&(0!=(this.H.s[ih]&3072)||1==this.H.k[ih])){Pg[0]=ih;vg=1;mj=0;Yd[ih]=++Bl;Uh=D(zq,sl,-1,this.H.d,2);for(Vh=0;Vh<vg;++Vh)for(Le=0;Le<this.H.f[Pg[Vh]];++Le)if(jh=BR(this.H,Pg[Vh],Le),AR(this.H,jh)||2==uR(this.H,jh)||rR(this.H,jh))ug=lR(this.H,Pg[Vh],Le),Uh[jh]||(Qg[mj++]=jh,Uh[jh]=!0),0==Yd[ug]&&(Pg[vg++]=ug,Yd[ug]=Bl);Rm(this.s,\nnew WS(Pg,vg,Qg,mj))}}for(Uf=new gw(this.s);Uf.b<Uf.d.Xf();){ib=hw(Uf);Da=zl=Og=lc=0;fd=Sh=-1;for(Ma=0;Ma<ib.a.length;++Ma)if(hh[ib.a[Ma]]&&(++lc,1==this.S[ib.a[Ma]]||2==this.S[ib.a[Ma]]))++Og,Sh<this.c[ib.a[Ma]]&&(Sh=this.c[ib.a[Ma]],zl=ib.a[Ma]);for(Ma=0;Ma<ib.b.length;++Ma)if(Th[ib.b[Ma]]&&(++lc,ik=this.c[Y(this.H,0,ib.b[Ma])],Al=this.c[Y(this.H,1,ib.b[Ma])],hk=ik>Al?(ik<<16)+Al:(Al<<16)+ik,1==this.k[ib.b[Ma]]||2==this.k[ib.b[Ma]]))++Og,fd<hk&&(fd=hk,Da=ib.b[Ma]);if(0!=lc)if(1==lc){for(Ma=0;Ma<\nib.a.length;++Ma)hh[ib.a[Ma]]&&(this.S[ib.a[Ma]]=0);for(Ma=0;Ma<ib.b.length;++Ma)Th[ib.b[Ma]]&&(this.k[ib.b[Ma]]=0)}else if(1==Og){for(Ma=0;Ma<ib.a.length;++Ma)hh[ib.a[Ma]]&&(this.S[ib.a[Ma]]=3);for(Ma=0;Ma<ib.b.length;++Ma)Th[ib.b[Ma]]&&(this.k[ib.b[Ma]]=3)}else if(Ci=!1,-1!=Sh?2==this.S[zl]&&(Ci=!0):2==this.k[Da]&&(Ci=!0),Ci){for(Ma=0;Ma<ib.a.length;++Ma)if(hh[ib.a[Ma]])switch(this.S[ib.a[Ma]]){case 1:this.S[ib.a[Ma]]=2;break;case 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ze,Qb;for(ze=0;ze<this.H.c;++ze)0!=(this.H.s[ze]&67108864)^3==this.S[ze]&&FR(this.H,ze),(1==LS(this.H,ze)||2==LS(this.H,ze))&&(!this.D[ze]||3==this.S[ze])&&FR(this.H,ze);for(Qb=0;Qb<this.H.p;++Qb)(17==this.H.B[Qb]||9==this.H.B[Qb])&&!pS(this,Qb)&&FR(this.H,Y(this.H,0,Qb));for(Qb=0;Qb<this.H.d;++Qb){if(2==uR(this.H,Qb)){if(0!=(this.H.z[Qb]&16777216)&&(1==this.k[Qb]||2==this.k[Qb]))this.k[Qb]=3,XS(this.H,Qb,26);3==this.k[Qb]&&!this.n[Qb]&&26!=this.H.B[Qb]&&(FR(this.H,\nY(this.H,0,Qb)),FR(this.H,Y(this.H,1,Qb)))}1==this.H.B[Qb]&&3==this.k[Qb]&&(FR(this.H,Y(this.H,0,Qb)),FR(this.H,Y(this.H,1,Qb)));if((1==(this.H.z[Qb]&3072)>>10||2==(this.H.z[Qb]&3072)>>10)&&(1!=this.H.B[Qb]||1!=this.k[Qb]&&2!=this.k[Qb]))FR(this.H,Y(this.H,0,Qb)),FR(this.H,Y(this.H,1,Qb))}}w(7,1,{},rS);_.a=null;_.b=null;_.c=null;_.d=null;_.e=null;_.f=null;_.i=null;_.j=null;_.k=null;_.n=null;_.o=null;_.p=0;_.q=null;_.r=0;_.s=null;_.t=null;_.u=null;_.v=null;_.w=null;_.x=!1;_.y=null;_.z=0;_.A=null;\n_.B=!1;_.C=!1;_.D=null;_.E=0;_.F=null;_.G=0;_.H=null;_.I=null;_.J=0;_.K=null;_.L=null;_.M=!1;_.N=null;_.O=null;_.P=null;_.Q=null;_.R=null;_.S=null;_.T=null;_.U=null;_.V=null;_.W=null;_.X=!1;function 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c,d,e,f,g,h,j;if(0!=(b&~a.K)){if(0==(a.K&1)){XT(a);VT(a);a.K|=1;if(a.E){for(d=0;d<a.o;++d)CS(a,d)>=CT(a,d)&&(a.w[d]&=-6145);c=!1;for(d=0;d<a.c;++d){e=a.f[a.o+d]-a.f[d];if(!a.J&&0<e){0==(a.w[d]&2048)&&(0==CT(a,d)-CS(a,d)?a.w[d]|=2048:(e=0,128==(a.w[d]&128)&&++e,384==(a.w[d]&1920)&&++e,a.w[d]&=-1921,CT(a,d)-CS(a,d)<=e?a.w[d]|=2048:0==e?a.w[d]|=128:a.w[d]|=384));for(f=a.f[d];f<a.f[a.o+d];++f)e=a.i[d][f],1==a.B[e]&&(a.x[a.e[d][f]]=-1,a.B[e]=128,c=!0)}0!=(a.w[d]&2)&&(a.w[d]&=-9);0!=\na.q[d]&&(a.s[d]&=-234881025)}if(c){for(e=0;e<a.p;++e)128==a.B[e]&&(d=a.y[0][e],f=a.y[1][e],-1==a.x[d]^-1==a.x[f]&&0!=a.q[d]&&0!=a.q[f]&&0>a.q[d]^0>a.q[f]&&(0>a.q[d]?(++a.q[d],--a.q[f]):(--a.q[d],++a.q[f])));d=D(B,u,-1,a.o,1);for(e=f=0;e<a.o;++e)if(-1==a.x[e])d[e]=-1;else{if(f<e){a.x[f]=a.x[e];a.q[f]=a.q[e];a.v[f]=a.v[e];a.s[f]=a.s[e];a.w[f]=a.w[e];a.u[f]=a.u[e];g=a.D[f];h=a.D[e];j=h.b;var l=h.c;g.a=h.a;g.b=j;g.c=l;null!=a.t&&(a.t[f]=a.t[e]);null!=a.r&&(a.r[f]=a.r[e])}d[e]=f;++f}a.o=f;for(e=f=0;e<\na.p;++e)128!=a.B[e]&&(a.B[f]=a.B[e],a.z[f]=a.z[e],a.A[f]=a.A[e],a.y[0][f]=d[a.y[0][e]],a.y[1][f]=d[a.y[1][e]],++f);a.p=f}}else c=!1;c&&(XT(a),VT(a))}if(0!=(b&~a.K)&&0==(a.K&2)){for(c=0;c<a.c;++c)a.s[c]&=-31753;for(c=0;c<a.d;++c)a.z[c]&=-961;a.n=new YT(a,7);c=D(B,u,-1,a.c,1);for(d=0;d<a.d;++d)0!=a.n.b[d]&&(a.z[d]|=64,++c[a.y[0][d]],++c[a.y[1][d]]);for(d=0;d<a.c;++d)2==c[d]?a.s[d]|=1024:3==c[d]?a.s[d]|=2048:3<c[d]&&(a.s[d]|=3072);for(g=0;g<a.n.i.c;++g){d=fy(a.n.i,g);f=fy(a.n.j,g);e=d.length;for(c=0;c<\ne;++c)a.s[d[c]]|=8,a.z[f[c]]|=128,a.n.d[g]&&(a.s[d[c]]|=4096,a.z[f[c]]|=256),a.n.e[g]&&(a.z[f[c]]|=512),26==a.B[f[c]]&&(a.B[f[c]]=2)}for(c=0;c<a.d;++c)64==a.B[c]&&(a.s[a.y[0][c]]|=4096,a.s[a.y[1][c]]|=4096,a.z[c]|=256,a.z[c]|=512);for(c=0;c<a.c;++c)for(h=0;h<a.f[c];++h)if(f=a.i[c][h],0==(a.z[f]&256)){e=a.e[c][h];for(j=0;j<a.f[e];++j)a.i[e][j]!=f&&1<a.j[e][j]&&(6==a.x[a.e[e][j]]?a.s[c]|=8192:!vR(a,a.i[e][j])&&UT(a.x[a.e[e][j]])&&(a.s[c]|=16384))}for(;;){g=!1;for(c=0;c<a.c;++c)if(0<a.k[c]&&16384==(20480&\na.s[c]))for(h=0;h<a.f[c];++h)if(1<a.j[c][h]){e=a.e[c][h];f=a.i[c][h];for(j=0;j<a.f[e];++j)a.i[e][j]!=f&&(d=a.e[e][j],0==(a.s[d]&16384)&&(a.s[d]|=16384,g=!0))}if(!g)break}a.K|=2}}}function qS(a,b){var c;if(3==a.f[b]&&0!=(a.s[b]&4096)&&6<=(a.n&&b<a.c?a.n.a[b]:0))for(c=0;c<a.f[b];++c)if(rR(a,a.i[b][c]))return a.i[b][c];return-1}function mR(a,b){return a.f[a.o+b]}function RR(a,b){return a.f[2*a.o+b]}function uS(a,b){var c;c=a.s[b]&3072;return 0==c?0:1024==c?2:2048==c?3:4}\nfunction vS(a,b){return a.n&&b<a.c?a.n.a[b]:0}function cT(a,b,c){var d;for(d=0;d<a.f[2*a.o+b];++d)if(a.e[b][d]==c)return a.i[b][d];return-1}function lR(a,b,c){return a.e[b][c]}function BR(a,b,c){return a.i[b][c]}\nfunction ZT(a,b,c,d,e){var f,g,h,j;g=a.f[a.o+b];if(0!=a.k[b]||0!=(a.s[b]&4096)||3>a.f[b]||4<g)return!1;j=D(zq,sl,-1,4,2);for(h=0;h<g;++h){f=3.9269908169872414-d[h];if(0.0872664675116539<(0>=0.7853981633974483-f%1.5707963267948966?0-(0.7853981633974483-f%1.5707963267948966):0.7853981633974483-f%1.5707963267948966))return!1;e[h]=3&Gw(f/1.5707963267948966);if(j[e[h]])return!1;j[e[h]]=!0;if(0==(e[h]&1)){if(1!=a.B[a.i[b][c[h]]])return!1}else if(!nT(a,a.i[b][c[h]],b))return!1}return j[0]&&j[2]}\nfunction ER(a,b,c,d,e){var f,g,h;f=a.f[a.o+b];null==e&&(e=D(B,u,-1,f,1));if(!ZT(a,b,c,d,e))return 3;d=-1;for(h=0;h<f;++h)if(1==(e[h]&1)){g=a.B[a.i[b][c[h]]];if(-1!=d&&d!=g)return 3;d=g}b=2==aI(e[0]-e[1])?1:0;a=e[b]-e[b+1];return 3==(0>a?-a:a)^e[b]<e[b+1]^(3==f||1==(e[3]&1))^9==d?1:2}function BS(a,b,c){var d;d=CS(a,b);d-=ES(a,b,d);c&&(d-=a.f[a.o+b]-a.f[b]);c=a.x[b]<qT.length?qT[a.x[b]]:null;b=null==c?6:c[0];if(d<=b)return-1;if(null!=c)for(a=1;b<d&&a<c.length;++a)b=c[a];return b>d?b:d}\nfunction fS(a,b){var c,d,e,f;if(a.E&&0==(a.w[b]&2048)||!DS(a,b))return 0;sS(a,1);for(d=e=0;d<a.f[a.o+b];++d)e+=a.j[b][d];if(a.E){c=1;for(d=0;d<a.f[b];++d)64==a.B[a.i[b][d]]&&++c;e+=c>>1}e-=ES(a,b,e);c=((a.s[b]&-268435456)>>>28)-1;if(-1==c)if(171<=a.x[b]&&190>=a.x[b])c=2;else if(f=a.x[b]<qT.length?qT[a.x[b]]:null,null==f)c=6;else{c=f[0];for(d=1;c<e&&d<f.length;++d)c=f[d]}return 0>c-e?0:c-e}function QR(a,b){return a.f[2*a.o+b]-a.f[a.o+b]}\nfunction CS(a,b){var c,d;a.ed(1);for(c=d=0;c<a.f[a.o+b];++c)d+=a.j[b][c];return d}function mS(a){sS(a,3);return a.n}\nfunction XT(a){var b,c,d,e,f;f=D(zq,sl,-1,a.o,2);for(b=0;b<a.p;++b)for(e=0;2>e;++e)$T(a,a.y[e][b])&&!$T(a,a.y[1-e][b])&&(f[a.y[e][b]]=!0);e=a.o;do--e;while(0<=e&&f[e]);for(b=0;b<e;++b)if(f[b]){c=a;d=b;var g=e,h=void 0,j=void 0,h=h=h=void 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c,d,e,f,g;if(1!=a.B[b]||0!=(a.z[b]&256)||0!=(a.z[b]&64)&&7>(a.n&&b<a.d?a.n.b[b]:0))return!1;c=a.y[0][b];if(0==(a.s[c]&4096)||6>(a.n&&c<a.c?a.n.a[c]:0))return!1;d=a.y[1][b];if(0==(a.s[d]&4096)||6>(a.n&&d<a.c?a.n.a[d]:0))return!1;for(f=g=0;f<a.f[c];++f)e=a.e[c][f],e!=d&&2<a.f[e]&&++g;for(f=0;f<a.f[d];++f)e=a.e[d][f],e!=c&&2<a.f[e]&&++g;return 2<g}\nfunction tS(a,b){var c,d,e,f,g,h;if(7!=a.x[b])return!1;if(0!=(a.s[b]&4096)||0!=a.k[b]||0!=(a.w[b]&268435456))return!0;if(1==a.q[b])return!1;for(f=e=0;f<a.f[b];++f)1==a.j[b][f]&&(c=a.x[a.e[b][f]],(8==c||9==c||17==c)&&++e);if(0==e)for(f=0;f<a.f[b];++f)if(c=a.e[b][f],0!=a.k[c]){if(0!=(a.s[c]&4096)){if(5<=(a.n&&c<a.c?a.n.a[c]:0)){for(h=g=0;h<a.f[c];++h)d=a.e[c][h],d!=b&&3<=a.f[d]&&++g;if(2==g||1==g&&3==a.f[b])continue}return!0}for(h=0;h<a.f[c];++h)if((2==a.j[c][h]||vR(a,a.i[c][h]))&&0!=(a.s[a.e[c][h]]&\n16384))return!0}if(2>e)for(f=0;f<a.f[b];++f){c=a.e[b][f];d=g=!1;for(h=0;h<a.f[c];++h)a.e[c][h]!=b&&(1!=a.j[c][h]&&(7==a.x[a.e[c][h]]||8==a.x[a.e[c][h]]||16==a.x[a.e[c][h]])&&(g=!0),1==a.j[c][h]&&7==a.x[a.e[c][h]]&&(d=!0));if(g&&(!d||0==e))return!0}return!1}function AR(a,b){return 0!=(a.z[b]&64)}function $T(a,b){return 1==a.x[b]&&0==a.v[b]&&(null==a.r||null==a.r[b])}function MR(a,b){return 0!=(a.z[b]&128)}\nfunction DS(a,b){var c;return 0!=(a.s[b]&-268435456)?!0:1==a.x[b]?!1:(c=a.x[b],1==c||5<=c&&9>=c||14<=c&&17>=c||32<=c&&35>=c||52<=c&&53>=c)||13==a.x[b]||171<=a.x[b]}w(22,23,Pl);_.ed=function(a){WT(this,a)};_.c=0;_.d=0;_.e=null;_.f=null;_.i=null;_.j=null;_.k=null;_.n=null;\nfunction aU(a,b,c,d,e,f){var g,h;h=1;g=!1;switch(e){case 1:h=17;break;case 3:h=26;break;case 4:h=17;g=!0;break;case 6:h=9;break;default:switch(d){case 1:h=1;break;case 2:h=2;break;case 3:h=4;break;case 4:h=64;break;case 8:a.d&&(h=32)}}c=xT(a.c,b,c,h);e=0;g&&IT(a.c,b,1,-1);if(4<d)switch(d){case 5:e|=3;break;case 6:e|=9;break;case 7:e|=10;break;case 8:a.d||(e|=15)}1==f&&(e|=32);2==f&&(e|=16);0!=e&&QT(a.c,c,e);return c}function bU(a,b){var c;c=cU(a,b+1);return-1==c?a.length:c}\nfunction dU(a,b){var c;c=!a.a?null:eU(a.a,new eD(b));return!c?b-1:c.a}function fU(a,b){var c;c=!a.b?null:eU(a.b,new eD(b));return!c?b-1:c.a}function gU(a,b){var c;if(-1==b)return-1;for(c=b+1;c<a.length;++c)if(32!=a.charCodeAt(c)&&9!=a.charCodeAt(c))return c;return-1}function cU(a,b){var c;for(c=b;c<a.length;++c)if(32==a.charCodeAt(c)||9==a.charCodeAt(c))return c;return-1}\nfunction hU(a){var b,c;if(0<=a.indexOf(Yf)){b=a.indexOf(" NOT[");c=a.indexOf(eg,b);if(0<=b&&0<c)return-(c+1);b=a.indexOf(" [");c=a.indexOf(eg,b);if(0<=b&&0<c)return c+1;b=a.indexOf(" \'NOT[");c=a.indexOf(ZQ,b);if(0<=b&&0<c)return-(c+2);b=a.indexOf(" \'[");c=a.indexOf(ZQ,b);if(0<=b&&0<c)return c+2}return 0}function iU(a,b,c){a.c=b;return jU(a,c)}function kU(a){return 0==a.length?0:nF(a,10)}\nfunction jU(a,b){var c,d,e,f,g,h,j,l,n,o,r,t,y,v,s,A,F,M,N,$,S,V,ea,na,ta,Yb,K,ra,yc,jd,wb,L,Ha,xb,Hc,tc,Ba,kd,ld,va;try{a.c&&(yT(a.c),RT(a.c,!1));S=lU(b);if(null==S||null==lU(b)||null==(F=lU(b)))return!1;a.d=-1!=F.indexOf("From CSD data. Using bond type \'Any\'");if(null==(F=lU(b)))return!1;try{V=nF(Sy(F.substr(0,3)),10),ea=nF(Sy(F.substr(3,3)),10),na=kU(Sy(F.substr(6,3))),r=kU(Sy(F.substr(12,3))),tc=39<=F.length&&H(F.substr(34,5),Sf)?3:2}catch(Fa){Fa=Hq(Fa);if(G(Fa,98))return!1;throw Fa;}if(3==tc)return K=\nmU(a,b),a.c.I=S,K;!a.c&&(a.c=new nU(V,ea));a.c.I=S;0==r&&(a.c.F=!0);if(0==V){for(;null!=F&&!H(F,gf)&&!H(F,La)&&!H(Ty(F,1),Ka);)F=lU(b);return!0}for(y=0;y<V;++y){if(null==(F=lU(b)))return!1;kd=oU(Sy(F.substr(0,10)));ld=oU(Sy(F.substr(10,10)));va=oU(Sy(F.substr(20,10)));d=sT(a.c,kd,-ld,-va);A=Sy(F.substr(31,3));g=ST(A);wT(a.c,d,g);H(A,Nd)&&NT(a.c,d,1);$=kU(Sy(F.substr(34,2)));0!=$&&LT(a.c,d,(UR(),VR)[g]+$);o=kU(Sy(F.substr(36,3)));0!=o&&GT(a.c,d,4-o);M=63>F.length?0:kU(Sy(F.substr(60,3)));a.c.u[d]=\nM;t=45>F.length?0:kU(Sy(F.substr(42,3)));switch(t){case 0:break;case 1:NT(a.c,d,768);break;case 2:NT(a.c,d,128);break;case 3:NT(a.c,d,384);break;default:NT(a.c,d,896)}48<=F.length&&49==F.charCodeAt(47)&&NT(a.c,d,8192);Hc=51>F.length?0:kU(Sy(F.substr(48,3)));switch(Hc){case 0:break;case 15:FT(a.c,d,0);break;default:FT(a.c,d,Hc)}}for(y=0;y<ea;++y){if(null==(F=lU(b)))return!1;e=nF(Sy(F.substr(0,3)),10)-1;f=nF(Sy(F.substr(3,3)),10)-1;l=nF(Sy(F.substr(6,3)),10);yc=12>F.length?0:kU(Sy(F.substr(9,3)));Ha=\n18>F.length?0:kU(Sy(F.substr(15,3)));aU(a,e,f,l,yc,Ha)}for(y=0;y<na;++y)if(null==lU(b))return!1;if(null==(F=lU(b)))return 0==r&&sS(a.c,7),!0;for(;null!=F&&!H(F,gf)&&!H(F,La);){if(0==F.indexOf(ff)&&(v=nF(Sy(F.substr(6,3)),10),0<v)){c=10;Ba=14;for(s=1;s<=v;++s,c+=8,Ba+=8)d=nF(Sy(F.substr(c,c+3-c)),10)-1,n=nF(Sy(F.substr(Ba,Ba+3-Ba)),10),GT(a.c,d,n)}if(0==F.indexOf(jf)&&(v=nF(Sy(F.substr(6,3)),10),0<v)){c=10;Ba=14;for(s=1;s<=v;++s,c+=8,Ba+=8)d=nF(Sy(F.substr(c,c+3-c)),10)-1,N=nF(Sy(F.substr(Ba,Ba+3-\nBa)),10),LT(a.c,d,N)}if(0==F.indexOf(RQ)&&(v=nF(Sy(F.substr(6,3)),10),0<v)){c=10;Ba=14;for(s=1;s<=v;++s,c+=8,Ba+=8)switch(d=nF(Sy(F.substr(c,c+3-c)),10)-1,Yb=nF(Sy(F.substr(Ba,Ba+3-Ba)),10),Yb){case 1:KT(a.c,d,16);break;case 2:KT(a.c,d,32);break;case 3:KT(a.c,d,48)}}if(0==F.indexOf(SQ)&&(v=nF(Sy(F.substr(6,3)),10),0<v)){c=10;Ba=14;for(s=1;s<=v;++s,c+=8,Ba+=8)switch(d=nF(Sy(F.substr(c,c+3-c)),10)-1,ra=nF(Sy(F.substr(Ba,Ba+3-Ba)),10),ra){case 3:case -1:NT(a.c,d,112);break;case 1:NT(a.c,d,8);break;case 2:NT(a.c,\nd,104);break;case 4:NT(a.c,d,56)}}if(0==F.indexOf("M  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if(0==d.indexOf("END"))e=0;else if(1==e){c=a;var f=void 0,g=void 0,f=void 0;!c.c&&0==\nd.indexOf("COUNTS")&&(f=gU(d,cU(d,7)),g=nF(XE(d,7,cU(d,7)),10),f=nF(XE(d,f,cU(d,f)),10),c.c=new nU(g,f))}else if(2==e){c=a;var h=void 0,j=f=g=g=f=g=void 0,l=void 0,n=h=void 0,o=n=n=j=g=void 0,r=h=f=void 0,t=void 0,l=bU(d,0),g=nF(d.substr(0,l-0),10),j=gU(d,l),l=bU(d,j),n=d.substr(j,l-j),o=null,f=!1,h=hU(d);if(0!=h){var l=d,y=t=r=r=j=o=void 0,v=t=void 0,t=null,j=l.indexOf(Yf),r=l.indexOf(eg,j);if(0<=j&&0<r){o=D(B,u,-1,16,1);v=l.substr(j+1,r-(j+1));r=0;for(y=!0;y&&16>r;)j=v.indexOf(nb),-1==j?(t=v,y=\n!1):(t=v.substr(0,j-0),v=Ty(v,j+1)),o[r++]=ST(t);t=D(B,u,-1,r,1);XR(o,0,t,r)}o=t;0>h&&(f=!0);l=0>h?-h:h}j=gU(d,l);l=bU(d,j);h=oU(d.substr(j,l-j));j=gU(d,l);l=bU(d,j);r=oU(d.substr(j,l-j));j=gU(d,l);l=bU(d,j);t=oU(d.substr(j,l-j));j=gU(d,l);l=bU(d,j);j=nF(d.substr(j,l-j),10);h=sT(c.c,h,-r,-t);h+1!=g&&(!c.a&&(c.a=new pU),qU(c.a,new eD(g),new eD(h)));null!=o&&JT(c.c,h,o,f);0!=j&&(c.c.u[h]=j);H(n,Nd)?NT(c.c,h,1):H(n,Cf)?(g=D(B,u,-1,1,1),g[0]=6,JT(c.c,h,g,!0)):wT(c.c,h,ST(n));for(;-1!=(j=gU(d,l));)if(l=\nbU(d,j),n=d.substr(j,l-j),f=Qy(n,Ry(61)),g=n.substr(0,f-0),f=nF(Ty(n,f+1),10),H(g,"CHG"))GT(c.c,h,f);else if(H(g,"RAD"))switch(f){case 1:KT(c.c,h,16);break;case 2:KT(c.c,h,32);break;case 3:KT(c.c,h,48)}else if(!H(g,MQ))if(H(g,"MASS"))LT(c.c,h,f);else if(H(g,"VAL"))FT(c.c,h,-1==f?0:0==f?-1:f);else if(H(g,"HCOUNT"))switch(f){case 0:break;case -1:NT(c.c,h,1792);break;case 1:NT(c.c,h,128);break;case 2:NT(c.c,h,384);break;default:NT(c.c,h,896)}else if(H(g,"SUBST"))if(-1==f)NT(c.c,h,2048);else{if(0<f){for(g=\nn=0;g<c.c.p;++g)(Y(c.c,0,g)==h||Y(c.c,1,g)==h)&&++n;f>n&&NT(c.c,h,4096)}}else if(H(g,"RBCNT"))switch(f){case 3:case -1:NT(c.c,h,112);break;case 1:NT(c.c,h,8);break;case 2:NT(c.c,h,104);break;case 4:NT(c.c,h,56)}}else if(3==e){c=a;t=j=o=y=h=r=t=r=l=g=f=n=f=void 0;h=bU(d,0);g=nF(d.substr(0,h-0),10);r=gU(d,h);h=bU(d,r);l=nF(d.substr(r,h-r),10);r=gU(d,h);h=bU(d,r);f=dU(c,nF(d.substr(r,h-r),10));r=gU(d,h);h=bU(d,r);n=dU(c,nF(d.substr(r,h-r),10));for(j=o=0;-1!=(r=gU(d,h));)if(h=bU(d,r),y=d.substr(r,h-r),\nt=Qy(y,Ry(61)),r=y.substr(0,t-0),t=nF(Ty(y,t+1),10),H(r,MQ))switch(t){case 1:o=1;break;case 2:o=2==l?3:4;break;case 3:o=6}else H(r,"TOPO")&&(j=t);f=aU(c,f,n,l,o,j);f+1!=g&&(!c.b&&(c.b=new pU),qU(c.b,new eD(g),new eD(f)))}else if(4==e){if(c=a,g=f=g=n=n=void 0,g=-1!=d.indexOf("ATOMS=(")?LQ:-1!=d.indexOf("BONDS=(")?"BONDS":null,null!=g){f=d;n=g;t=r=j=o=h=l=void 0;j=f.indexOf(n+"=(")+n.length+2;r=lF(f,Ry(41),j);o=cU(f,j);l=nF(f.substr(j,o-j),10);t=D(B,u,-1,l,1);for(h=0;h<l;++h)j=gU(f,o),o=cU(f,j),(-1==\no||o>r)&&(o=r),t[h]=nF(f.substr(j,o-j),10);f=t;if(0==d.indexOf(qf))if(H(g,LQ))for(g=0;g<f.length;++g)IT(c.c,dU(c,f[g]),0,-1);else for(g=0;g<f.length;++g)OT(c.c,fU(c,f[g]),0,-1);else if(0==d.indexOf(rf))if(n=nF(XE(d,13,cU(d,13)),10),H(g,LQ))for(g=0;g<f.length;++g)IT(c.c,dU(c,f[g]),1,n-1);else for(g=0;g<f.length;++g)OT(c.c,fU(c,f[g]),1,n-1);else if(0==d.indexOf(tf))if(n=nF(XE(d,13,cU(d,13)),10),H(g,LQ))for(g=0;g<f.length;++g)IT(c.c,dU(c,f[g]),2,n-1);else for(g=0;g<f.length;++g)OT(c.c,fU(c,f[g]),2,n-\n1);else if(0==d.indexOf("MDLV30/HILITE"))if(H(g,LQ))for(g=0;g<f.length;++g)HT(c.c,dU(c,f[g]));else for(g=0;g<f.length;++g)n=fU(c,f[g]),HT(c.c,Y(c.c,0,n)),HT(c.c,Y(c.c,1,n))}}else return!1;d=lU(b)}for(;null!=d&&!(0==d.indexOf(gf)||H(d,La));)d=lU(b);return!0}function rU(){}w(26,1,{},rU);_.a=null;_.b=null;_.c=null;_.d=!1;function sU(a,b){var c,d,e,f,g;f=b.length;g=D(B,u,-1,f,1);for(d=0;d<f;++d){c=d==f-1?b[0]:b[d+1];for(e=0;e<a.f.f[b[d]];++e)if(lR(a.f,b[d],e)==c){g[d]=BR(a.f,b[d],e);break}}return g}\nfunction nS(a,b,c){b=fy(a.i,b);for(a=0;a<b.length;++a)if(c==b[a])return!0;return!1}function tU(a,b,c){var d,e;e=b.length;for(d=0;d<e;++d)(0==a.a[b[d]]||a.a[b[d]]>e)&&(a.a[b[d]]=e);for(d=0;d<e;++d)(0==a.b[c[d]]||a.b[c[d]]>e)&&(a.b[c[d]]=e)}function wS(a,b,c){for(a=fy(a.j,b).length;c>=a;)c-=a;for(;0>c;)c+=a;return c}\nfunction YT(a,b){var c,d,e,f,g,h,j,l,n;this.f=a;this.i=new Om;this.j=new Om;this.a=D(B,u,-1,this.f.c,1);this.b=D(B,u,-1,this.f.d,1);this.f.ed(1);j=D(zq,sl,-1,this.f.c,2);l=D(zq,sl,-1,this.f.d,2);do{f=!1;for(c=0;c<this.f.c;++c)if(!j[c]){for(d=g=0;d<this.f.f[c];++d)j[lR(this.f,c,d)]||++g;if(2>g){j[c]=!0;for(d=0;d<this.f.f[c];++d)l[BR(this.f,c,d)]=!0;f=!0}}}while(f);for(d=0;d<this.f.c&&j[d];)++d;if(d!=this.f.c){g=D(B,u,-1,this.f.c,1);g[0]=d;f=D(B,u,-1,this.f.c,1);f[d]=1;h=e=0;for(n=1;e<=h;){for(d=0;d<\nthis.f.f[g[e]];++d)if(c=lR(this.f,g[e],d),0!=f[c]){var o=BR(this.f,g[e],d);c=j;var r=void 0,t=void 0,y=void 0,v=y=r=void 0,s=void 0,A=void 0,F=void 0,M=void 0,N=void 0,$=void 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j[c]||(f[c]=n,g[++h]=c);++e;if(e>h)for(c=0;c<this.f.c;++c)if(0==\nf[c]&&!j[c]){f[c]=++n;g[++h]=c;break}}if(0!=(b&4)){this.d=D(zq,sl,-1,this.i.c,2);this.e=D(zq,sl,-1,this.i.c,2);this.c=D(B,u,-1,this.i.c,1);d=this.d;f=this.e;g=this.c;e=D(nJ,Ol,88,this.i.c,0);for(n=0;n<this.i.c;++n){e[n]=D(B,u,-1,fy(this.i,n).length,1);for(h=0;h<fy(this.i,n).length;++h)e[n][h]=-1}v=D(B,u,-1,this.f.d,1);for(h=0;h<this.j.c;++h)if(t=fy(this.j,h),3==t.length||5<=t.length&&7>=t.length)for(n=0;n<t.length;++n)c=t[n],3==this.f.f[Y(this.f,0,c)]&&3==this.f.f[Y(this.f,1,c)]&&(0<v[c]?(e[v[c]>>>\n16][v[c]&32767]=h,e[h][n]=v[c]>>>16):v[c]=(h<<16)+32768+n);n=D(zq,sl,-1,this.i.c,2);t=0;for(c=-1;t>c;){c=t;for(h=0;h<this.i.c;++h){if(v=!n[h]){for(var v=h,s=e,A=n,y=d,F=f,M=g,na=N=ea=ea=S=V=ea=V=ea=r=o=S=void 0,$=V=void 0,N=fy(this.i,v),na=fy(this.j,v),V=na.length,o=r=0,$=!1,ea=0;ea<V;++ea)r<<=1,o<<=1,1<uR(this.f,na[ea])||64==this.f.B[na[ea]]?r|=1:(S=s[v][ea],-1!=S&&(A[S]?y[S]&&(r|=1,F[S]||(o|=1)):$=!0));S=!1;switch(V){case 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