openchemlib 8.1.0 → 8.3.0
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.
- package/dist/openchemlib-core.js +142 -142
- package/dist/openchemlib-full.js +157 -156
- package/dist/openchemlib-full.pretty.js +6360 -5676
- package/dist/openchemlib-minimal.js +110 -110
- package/minimal.d.ts +3 -0
- package/package.json +7 -12
- package/types.d.ts +157 -30
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/**
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* openchemlib - Manipulate molecules
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* @version v8.
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* @date 2023-
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* @version v8.3.0
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* @date 2023-04-05T12:39:34.001Z
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* @link https://github.com/cheminfo/openchemlib-js
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* @license BSD-3-Clause
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D_.ed=function ed(a){var b,c,d,e,f;D_.Nr(a,2*a.Q);e=new D_.Rd;for(d=0;d<a.J.p;d++){b=D_.Uj(a.J,0,d);c=D_.Uj(a.J,1,d);if(D_.vk(a.J,d)){e.a=D_.hh(a.P,D_.Mj(a.J,b));e.c=D_.ih(a.P,D_.Nj(a.J,b));e.b=D_.hh(a.P,D_.Mj(a.J,c));e.d=D_.ih(a.P,D_.Nj(a.J,c));D_.Jd(a,-2);f=H0+z_.OR(V_.TT(V_.QT(new V_.UT(e.a),(V_.MV(),V_.IV))))+I0+J0+z_.OR(V_.TT(V_.QT(new V_.UT(e.c),V_.IV)))+I0+K0+z_.OR(V_.TT(V_.QT(new V_.UT(e.b),V_.IV)))+I0+L0+z_.OR(V_.TT(V_.QT(new V_.UT(e.d),V_.IV)))+I0+M0+a.d+I0+N0+a.j+O0;D_.Sr(a,f)}}};D_.fd=function fd(a){var b,c,d,e,f,g,h;if(a.J.I){g=a.U;D_.Jd(a,-7);for(b=0;b<a.J.d;b++)KP(pP(D_.Kj(a.J,b),Q0),0)&&D_.Kr(a,D_.hh(a.P,D_.Mj(a.J,b))-g,D_.ih(a.P,D_.Nj(a.J,b))-g,2*g);D_.Nr(a,2*a.U);f=new D_.Rd;for(e=0;e<a.J.p;e++){c=D_.Uj(a.J,0,e);d=D_.Uj(a.J,1,e);if(KP(pP(pP(D_.Kj(a.J,c),D_.Kj(a.J,d)),Q0),0)){f.a=D_.hh(a.P,D_.Mj(a.J,c));f.c=D_.ih(a.P,D_.Nj(a.J,c));f.b=D_.hh(a.P,D_.Mj(a.J,d));f.d=D_.ih(a.P,D_.Nj(a.J,d));h=H0+z_.OR(V_.TT(V_.QT(new V_.UT(f.a),(V_.MV(),V_.IV))))+I0+J0+z_.OR(V_.TT(V_.QT(new 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c;if(D_.Qm(a.J,b)!=2)return false;for(c=0;c<2;c++)if(D_.Sm(a.J,b,c)!=2)return false;return true};D_.md=function md(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o;m=false;e.a=0;e.b=0;d>0?(f=R0):(f=S0);o=D_.Tj(a.J,b,c);for(k=0;k<D_.Qm(a.J,b);k++){g=D_.Rm(a.J,b,k);h=o;D_.Uj(a.J,0,g)==b?(l=D_.Uj(a.J,1,g)):(l=D_.Uj(a.J,0,g));if(l==c)continue;n=D_.Tj(a.J,b,l);h<n&&(h+=T0);i=h-n;if(d>0){i<U0&&(m=true);i>R0&&(i=R0);i<0.523598776&&(i=0.523598776);if(i<=f){f=i;j=a.R*$wnd.Math.tan(f-V0)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}else{i>=U0&&(m=true);i<S0&&(i=S0);i>5.759586531&&(i=5.759586531);if(i>=f){f=i;j=a.R*$wnd.Math.tan(4.712388981-f)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}}return m};D_.nd=function nd(a,b,c,d){var e;if(b==0){c<0?(d.a=a.R):(d.a=-a.R);d.b=0;return}e=$wnd.Math.atan(c/b);b<0&&(e+=U0);d.a=-(a.R*$wnd.Math.sin(e));d.b=a.R*$wnd.Math.cos(e)};D_.od=function od(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;e=new D_.Rd;i=new D_.Rd;k=new K_.Cw;j=new 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K_.Dw(e.a,e.c)}}i.a=b.a-o;i.c=b.c-p;i.b=b.b-o;i.d=b.d-p;if(D_.Qm(a.J,g)>1){if(D_.md(a,g,h,0,j)){i.a+=j.a;i.c+=j.b;if(D_.Qm(a.J,g)==2){if(j.a!=0||j.b!=0){i.a+=k.b;i.c-=k.a}}}else{a.o[g]=new K_.Dw(i.a,i.c);f=true}}D_.dk(a.J,c)==386&&D_.Dd(e,i);if(D_.dk(a.J,c)==64){if(f){D_.Vc(a,e,g,h);D_.Xc(a,i,g,h)}else{D_.Xc(a,e,g,h);D_.Vc(a,i,g,h)}}else{D_.Xc(a,e,g,h);D_.Xc(a,i,g,h)}}};D_.pd=function pd(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;k=a.O;l=a.C;if((a.D&W0)!=0){a.O=-6;a.C=-8355712;D_.Jd(a,1)}a.o=AK(y_.gN,k0,34,a.J.o,0,1);for(i=0;i<a.J.p;i++)(D_.dk(a.J,i)==2||D_.dk(a.J,i)==386||D_.dk(a.J,i)==64)&&D_.sd(a,i);for(j=0;j<a.J.p;j++)D_.dk(a.J,j)!=2&&D_.dk(a.J,j)!=386&&D_.dk(a.J,j)!=64&&D_.sd(a,j);if((a.D&64)==0){for(h=0;h<a.J.p;h++){if(D_.Xj(a.J,h)!=0){e=null;D_.Xj(a.J,h)==1||D_.Xj(a.J,h)==2?(D_.ak(a.J,h)==2||D_.Zj(a.J,h)==0||b[D_.Zj(a.J,h)][D_.Yj(a.J,h)]>1)&&(D_.Xj(a.J,h)==1?(e=D_.ak(a.J,h)==2?'E':D_.zk(a.J,h)?'p':'P'):(e=D_.ak(a.J,h)==2?'Z':D_.zk(a.J,h)?'m':'M')):(e='?');if(e!=null){D_.Pr(a,(a.V*2+1)/3|0);D_.Jd(a,D_.xk(a.J,h)?-3:a.J.M==1||(a.D&X0)!=0?a.O:448);c=D_.Uj(a.J,0,h);d=D_.Uj(a.J,1,h);n=(D_.hh(a.P,D_.Mj(a.J,c))+D_.hh(a.P,D_.Mj(a.J,d)))/2;o=(D_.ih(a.P,D_.Nj(a.J,c))+D_.ih(a.P,D_.Nj(a.J,d)))/2;f=(D_.hh(a.P,D_.Mj(a.J,c))-D_.hh(a.P,D_.Mj(a.J,d)))/3;g=(D_.ih(a.P,D_.Nj(a.J,c))-D_.ih(a.P,D_.Nj(a.J,d)))/3;D_.vd(a,n+g,o-f,e,true);D_.Jd(a,a.O);D_.Pr(a,a.V)}}}}if((a.D&4)!=0){D_.Pr(a,(a.V*2+1)/3|0);D_.Jd(a,384);for(h=0;h<a.J.p;h++){c=D_.Uj(a.J,0,h);d=D_.Uj(a.J,1,h);m=D_.In(a.J,h)?'d':D_.En(a.J,h)?'a':'';n=(D_.hh(a.P,D_.Mj(a.J,c))+D_.hh(a.P,D_.Mj(a.J,d)))/2;o=(D_.ih(a.P,D_.Nj(a.J,c))+D_.ih(a.P,D_.Nj(a.J,d)))/2;D_.vd(a,n,o,m+(''+h),true)}D_.Jd(a,a.O);D_.Pr(a,a.V)}if((a.D&W0)!=0){a.O=k;a.C=l}};D_.qd=function 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if(c==2){g.f&&(d==1?D_.dg(a.c[g.b],BP(a.d[e])):d==2&&D_.dg(a.c[g.d],BP(a.d[e])));h.f&&(d==1?D_.dg(a.c[h.b],BP(a.d[f])):d==2&&D_.dg(a.c[h.d],BP(a.d[f])))}return true};D_.ye=function ye(a,b){if(D_.Ii(a)==-1||D_.Ii(b)==-1)return 3;if(((D_.Ii(a)|D_.Ii(b))&1)!=0)return 3;return D_.Ii(a)==D_.Ii(b)?1:2};D_.ze=function ze(a,b,c){var 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D_.re(a,b,c);if(D_.Pj(a.P,b)!=15&&D_.Pj(a.P,b)!=16)return false}if(D_.Qm(a.P,b)<3||D_.Bm(a.P,b)>4)return false;if(D_.yj(a.P,b)>0&&D_.Pj(a.P,b)==6)return false;if(D_.Pj(a.P,b)==5&&D_.Bm(a.P,b)!=4)return false;if(D_.Pj(a.P,b)==7&&!a.Q[b])return false;n=AK(y_.UL,v0,5,4,15,1);o=AK(y_.UL,v0,5,4,15,1);j=AK(y_.iP,P0,5,4,16,1);for(h=0;h<D_.Bm(a.P,b);h++){f=-1;e=0;for(i=0;i<D_.Bm(a.P,b);i++){if(!j[i]){if(f<a.d[D_.Pm(a.P,b,i)]){f=a.d[D_.Pm(a.P,b,i)];e=i}}}n[h]=e;o[h]=f;j[e]=true}if(D_.Bm(a.P,b)==4&&o[0]==o[1]&&o[2]==o[3])return false;if(D_.Bm(a.P,b)==4&&(o[0]==o[2]||o[1]==o[3]))return false;if(D_.Bm(a.P,b)==3&&o[0]==o[2])return false;k=0;l=0;m=false;for(g=1;g<D_.Bm(a.P,b);g++){if(o[g-1]==o[g]){if(c==1||o[g]==0)return false;k=D_.Pm(a.P,b,n[g-1]);l=D_.Pm(a.P,b,n[g]);c==3&&D_.Pn(a.P,D_.Rm(a.P,b,n[g]))&&(a.U[b]=true);m=true}}if(c!=1&&!m)return false;d=a.hb?D_.Ee(a,b,n):D_.De(a,b,n);c==1?(a.bb[b]=d):c==2&&(d==1?D_.dg(a.c[k],BP(a.d[b])):d==2&&D_.dg(a.c[l],BP(a.d[b])));return true};D_.De=function De(a,b,c){var d,e,f,g,h,i,j,k,l,m;m=IK(uK(y_.UL,2),M1,6,0,[IK(uK(y_.UL,1),v0,5,15,[2,1,2,1]),IK(uK(y_.UL,1),v0,5,15,[1,2,2,1]),IK(uK(y_.UL,1),v0,5,15,[1,1,2,2]),IK(uK(y_.UL,1),v0,5,15,[2,1,1,2]),IK(uK(y_.UL,1),v0,5,15,[2,2,1,1]),IK(uK(y_.UL,1),v0,5,15,[1,2,1,2])]);d=AK(y_.SL,z1,5,D_.Bm(a.P,b),15,1);for(g=0;g<D_.Bm(a.P,b);g++)d[g]=D_.Tj(a.P,D_.Pm(a.P,b,c[g]),b);j=D_.Wm(a.P,b,c,d,null)<<24>>24;if(j!=3)return j;k=0;l=0;for(h=0;h<D_.Bm(a.P,b);h++){e=D_.Rm(a.P,b,c[h]);if(D_.Uj(a.P,0,e)==b){if(D_.dk(a.P,e)==129){l!=0&&D_.Nl(a.P,b);k=h;l=1}if(D_.dk(a.P,e)==257){l!=0&&D_.Nl(a.P,b);k=h;l=2}}}if(l==0)return 3;for(f=1;f<D_.Bm(a.P,b);f++)d[f]<d[0]&&(d[f]+=T0);if(D_.Bm(a.P,b)==3){switch(k){case 0:(d[1]<d[2]&&d[2]-d[1]<U0||d[1]>d[2]&&d[1]-d[2]>U0)&&(l=3-l);break;case 1:d[2]-d[0]>U0&&(l=3-l);break;case 2:d[1]-d[0]<U0&&(l=3-l);}return 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b,c,d,e,f,g,h,i,j,k,l,m;if(a.v)return;a.v=new E_.ki;k=0;l=AK(y_.UL,v0,5,a.P.d,15,1);g=AK(y_.UL,v0,5,a.P.d,15,1);i=AK(y_.UL,v0,5,a.P.e,15,1);for(b=0;b<a.P.d;b++){if(l[b]==0&&(D_.On(a.P,b)||D_.Gm(a.P,b)==1)){g[0]=b;h=1;j=0;l[b]=++k;c=AK(y_.iP,P0,5,a.P.e,16,1);for(f=0;f<h;f++){for(m=0;m<D_.Qm(a.P,g[f]);m++){e=D_.Rm(a.P,g[f],m);if(D_.Pn(a.P,e)||D_.ak(a.P,e)==2||D_.Fn(a.P,e)){d=D_.Pm(a.P,g[f],m);if(!c[e]){i[j++]=e;c[e]=true}if(l[d]==0){g[h++]=d;l[d]=k}}}}E_.Th(a.v,new D_.lg(g,h,i,j))}}};D_.He=function He(a){var 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b,c,d,e,f,g;a.J=true;f=D_.Ie(a,false);while(a.S<a.P.d&&f){for(b=0;b<a.P.d;b++){D_.fg(a.c[b],b);D_.cg(a.c[b],a.b,BP(a.d[b]));g=a.bb[b]<<7;if((a.bb[b]==1||a.bb[b]==2)&&a._[b]!=0){g|=a._[b]<<5;g|=a.$[b]}D_.cg(a.c[b],18,y_.xP(g<<9))}for(c=0;c<a.P.e;c++){d=a.k[c]<<7;if((a.k[c]==1||a.k[c]==2)&&D_.dk(a.P,c)==1&&a.j[c]!=0){d|=a.j[c]<<5;d|=a.i[c]}D_.dg(a.c[D_.Uj(a.P,0,c)],y_.xP(d));D_.dg(a.c[D_.Uj(a.P,1,c)],y_.xP(d))}e=D_.Pe(a);if(a.S==e)break;a.S=e;f=D_.Ie(a,false)}};D_.Te=function Te(a){var b,c,d,e;a.J=true;a.Y=AK(y_.QL,P1,5,a.P.d,15,1);a.f=AK(y_.QL,P1,5,a.P.e,15,1);e=D_.Ie(a,true);while(a.S<a.P.d&&e){for(b=0;b<a.P.d;b++){D_.fg(a.c[b],b);D_.cg(a.c[b],a.b+4,BP(a.d[b]<<4|a.bb[b]<<2))}for(c=0;c<a.P.e;c++){D_.dg(a.c[D_.Uj(a.P,0,c)],BP(a.k[c]));D_.dg(a.c[D_.Uj(a.P,1,c)],BP(a.k[c]))}d=D_.Pe(a);if(a.S==d)break;a.S=d;e=D_.Ie(a,true)}};D_.Ue=function Ue(a){var b,c,d,e,f,g,h;a.J=true;d=D_.cf(a);!!a.N&&D_.vg(a.N,a.d)&&(d=D_.cf(a));D_.Ie(a,false)&&D_.Oe(a);g=true;while(a.S<a.P.d&&g){e=D_.Ke(a,d);for(b=0;b<a.P.d;b++){D_.fg(a.c[b],b);D_.cg(a.c[b],a.b,BP(a.d[b]));D_.cg(a.c[b],20,0);!a.ab[b]&&a._[b]!=0&&D_.dg(a.c[b],BP((a._[b]<<18)+(e[a._[b]==1?0:1][a.$[b]]<<8)));h=a.bb[b];a.cb[b]&&(h==1?(h=2):h==2&&(h=1));D_.dg(a.c[b],y_.xP(h<<4))}for(c=0;c<a.P.e;c++){D_.dg(a.c[D_.Uj(a.P,0,c)],BP(a.k[c]));D_.dg(a.c[D_.Uj(a.P,1,c)],BP(a.k[c]))}f=D_.Pe(a);if(a.S==f)break;a.S=f;g=false;if(!!a.N&&D_.vg(a.N,a.d)){g=true;d=D_.cf(a)}if(D_.Ie(a,false)){g=true;D_.Oe(a)}}};D_.Ve=function Ve(a){var b,c;for(b=0;b<a.P.d;b++)(!a.K[b]||a.bb[b]==3)&&(a._[b]=0);for(c=0;c<a.P.e;c++)(D_.dk(a.P,c)!=1||a.k[c]==0||a.k[c]==3)&&(a.j[c]=0)};D_.We=function We(a,b,c){if(a.a==null){a.a=AK(y_.QL,P1,5,a.P.d,15,1);E_.bY(a.a)}a.a[b]=c<<24>>24};D_.Xe=function Xe(b,c){var d,e,f,g,h,i;if((b.k[c]==1||b.k[c]==2)&&!D_.Sn(b.P,c)){h=false;try{for(g=0;g<2;g++){d=D_.Uj(b.P,g,c);if(D_.Qm(b.P,d)==3){e=AK(y_.UL,v0,5,2,15,1);f=0;for(i=0;i<D_.Qm(b.P,d);i++)D_.Rm(b.P,d,i)!=c&&(e[f++]=D_.Pm(b.P,d,i));b.d[e[0]]>b.d[e[1]]^D_.Ze(b,d,e[0],e[1])&&(h=!h)}}}catch(a){a=mP(a);if(GL(a,13)){b.f[c]=3;return}else throw nP(a)}b.k[c]==1^h?(b.f[c]=1):(b.f[c]=2)}};D_.Ye=function Ye(b,c){var d,e,f,g,h,i,j;if(b.bb[c]==1||b.bb[c]==2){i=false;if(D_.Gm(b.P,c)==2){try{for(h=0;h<2;h++){d=D_.Pm(b.P,c,h);if(D_.Qm(b.P,d)==3){f=AK(y_.UL,v0,5,2,15,1);g=0;for(j=0;j<D_.Qm(b.P,d);j++)D_.Sm(b.P,d,j)==1&&(f[g++]=D_.Pm(b.P,d,j));b.d[f[0]]>b.d[f[1]]^D_.Ze(b,d,f[0],f[1])&&(i=!i)}}}catch(a){a=mP(a);if(GL(a,13)){b.Y[c]=3;return}else throw nP(a)}}else{try{e=D_._e(b,c)}catch(a){a=mP(a);if(GL(a,13)){b.Y[c]=3;return}else throw nP(a)}for(h=1;h<e.length;h++)for(j=0;j<h;j++)b.d[e[h]]<b.d[e[j]]&&(i=!i)}b.bb[c]==1^i?(b.Y[c]=1):(b.Y[c]=2)}};D_.Ze=function Ze(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,D,F,G,H,I,J,K,L;if(D_.Pj(a.P,c)!=D_.Pj(a.P,d))return D_.Pj(a.P,c)>D_.Pj(a.P,d);if(D_.Ij(a.P,c)!=D_.Ij(a.P,d)){H=D_.Fk(a.P,c)?(D_.Ri(),D_.Pi)[D_.Pj(a.P,c)]:D_.Ij(a.P,c);I=D_.Fk(a.P,d)?(D_.Ri(),D_.Pi)[D_.Pj(a.P,d)]:D_.Ij(a.P,d);return H>I}w=a.P.d;s=AK(y_.UL,v0,5,w,15,1);u=AK(y_.UL,v0,5,w,15,1);v=AK(y_.UL,v0,5,w,15,1);t=AK(y_.iP,P0,5,w,16,1);i=AK(y_.iP,P0,5,a.P.o,16,1);s[0]=b;s[1]=c;s[2]=d;u[0]=-1;u[1]=0;u[2]=0;i[b]=true;i[c]=true;i[d]=true;m=1;A=2;G=AK(y_.UL,v0,5,64,15,1);G[1]=1;G[2]=3;o=2;while(m<=A){while(m<G[o]){n=s[m];if(!t[m]){p=0;q=0;for(C=0;C<D_.Qm(a.P,n);C++){k=D_.Pm(a.P,n,C);if(A+D_.Sm(a.P,n,C)+1>=w){w+=a.P.d;s=D_.If(s,w);u=D_.If(u,w);v=D_.If(v,w);t=D_.Jf(t,w)}if(D_.In(a.P,D_.Rm(a.P,n,C))){++p;q+=D_.Pj(a.P,k)}else{for(F=1;F<D_.Sm(a.P,n,C);F++){++A;s[A]=k;u[A]=m;t[A]=true}}K=u[m];if(k==s[K])continue;h=false;if(i[k]){J=u[K];while(J!=-1){if(k==s[J]){h=true;break}J=u[J]}}if(h){++A;s[A]=k;u[A]=m;t[A]=true}else{++A;s[A]=k;u[A]=m;i[k]=true}}if(p!=0){++A;v[A]=(q<<2)/p|0;u[A]=m;t[A]=true}}++m;if(m==p0){throw nP(new z_.qI('Emergency break in while 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$e(a,b,c,d){var e,f,g,h,i,j,k,l,m;l=c[d];g=c[d+1]-l;m=AK(y_.bM,k0,96,g,0,1);for(i=0;i<g;i++){m[i]=new D_.bg;m[i].c=a[i+l];m[i].b=b[i+l];m[i].a=i+l}e=new D_.$f;for(k=d;k>1;k--){for(j=0;j<g;j++){m[j].c+=a[m[j].b]<<16;m[j].b=b[m[j].b]}E_.lY(m,0,m.length,e);f=1;for(h=0;h<g;h++){a[m[h].a]=f;h!=g-1&&D_.Zf(m[h],m[h+1])!=0&&++f}}};D_._e=function _e(a,b){var c,d,e,f,g,h,i;g=D_.Bm(a.P,b);h=AK(y_.UL,v0,5,g,15,1);for(e=0;e<g;e++)h[e]=D_.Pm(a.P,b,e);for(d=g;d>1;d--){c=false;for(f=1;f<d;f++){if(D_.Ze(a,b,h[f-1],h[f])){c=true;i=h[f-1];h[f-1]=h[f];h[f]=i}}if(!c)break}return h};D_.af=function af(a,b,c,d,e,f,g,h){var i,j;for(j=1;j<h;j++){for(i=g[j];i<g[j+1];i++)c[i]=f[e[i]]+(c[d[i]]<<8);D_.bf(a,b,c,d,e,g,j);if(c[1]!=c[2])return true;j>1&&D_.$e(c,d,g,j)}return false};D_.bf=function bf(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r;for(l=g;l>1;l--){p=f[l]-f[l-1];r=AK(y_._L,k0,95,p,0,1);h=f[l];for(o=0;o<p;o++){q=f[l-1]+o;m=h;while(m<f[l+1]&&d[m]==q)++m;r[o]=new 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if(a._[c]==1){e=a.$[c];if(!b[e]){++l;b[e]=true}a.$[c]==0&&++i;!!a.N&&D_.rg(a.N,c)&&(m=true)}}}}for(d=0;d<a.P.e;d++){if(a.k[d]!=0&&D_.dk(a.P,d)==1){++f;if(a.k[d]==3){++k}else{if(a.j[d]==0){++g;!!a.N&&D_.rg(a.N,D_.Uj(a.P,0,d))&&D_.rg(a.N,D_.Uj(a.P,1,d))&&++h}else if(a.j[d]==2){a.i[d]==0&&++j}else if(a.j[d]==1){e=a.i[d];if(!b[e]){++l;b[e]=true}a.i[d]==0&&++i;!!a.N&&D_.rg(a.N,D_.Uj(a.P,0,d))&&D_.rg(a.N,D_.Uj(a.P,1,d))&&(m=true)}}}}if(f==0){D_.Fl(a.P,n0);return}if(k!=0){D_.Fl(a.P,0);return}if(a.I){D_.Fl(a.P,Q1+(1<<l));return}i+h==f&&!m?D_.Fl(a.P,196608):g==f?D_.Fl(a.P,G1):j==f?D_.Fl(a.P,327680):g==f-1&&i==1?D_.Fl(a.P,i1):D_.Fl(a.P,458752+(1<<l))};D_.ef=function ef(a,b,c){while(c!=0){if(a.r==0){(!a.p||a.t!=63)&&(a.t+=64);z_.oT(a.s,a.t&o0);a.r=6;a.t=0}a.t<<=1;a.t=TP(MP(BP(a.t),pP(b,1)));b=OP(b,1);--c;--a.r}};D_.ff=function ff(a){a.t<<=a.r;(!a.p||a.t!=63)&&(a.t+=64);z_.oT(a.s,a.t&o0);return a.s.a};D_.gf=function gf(a,b){a.s=new z_.vT;a.r=6;a.t=0;a.p=b};D_.hf=function hf(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q;if(a.P.d==0){a.q='';return}l=false;if(a.hb&&a.P.o>a.P.d&&!a.P.I){l=true;for(i=0;i<a.P.d;i++){if(D_.bn(a.P,i)!=0){l=false;break}}}q=a.hb?16:8;D_.gf(a,true);z_.oT(a.s,l?35:33);D_.ef(a,BP(a.hb?1:0),1);D_.ef(a,y_.xP(b?1:0),1);D_.ef(a,y_.xP(q/2|0),4);o=0;for(j=1;j<a.P.d;j++)o=D_.vf(a,a.w[j],a.C[j]==-1?-1:a.w[a.C[j]],o,c);if(l){for(i=0;i<a.P.d;i++){d=a.w[i];for(n=D_.Qm(a.P,d);n<D_.Bm(a.P,d);n++)o=D_.vf(a,D_.Pm(a.P,d,n),d,o,c)}}if(a.P.d>1&&o==0){a.q='';return}g=1<<q;m=o/(g/2-1);p=o+m/2;for(k=1;k<a.P.d;k++)D_.jf(a,a.w[k],a.C[k]==-1?-1:a.w[a.C[k]],p,m,q,c);if(l){for(h=0;h<a.P.d;h++){d=a.w[h];for(n=D_.Qm(a.P,d);n<D_.Bm(a.P,d);n++)D_.jf(a,D_.Pm(a.P,d,n),d,p,m,q,c)}}if(b){f=a.hb?1.5:(D_.Ri(),D_.Ri(),D_.Qi);e=D_.Sj(a.P,l?a.P.o:a.P.d,l?a.P.p:a.P.e,f,c);D_.ef(a,BP($wnd.Math.min(g-1,$wnd.Math.max(0,PL(0.5+$wnd.Math.log(e/0.1)*$wnd.Math.LOG10E/($wnd.Math.log(2000)*$wnd.Math.LOG10E)*(g-1))))),q);D_.ef(a,BP(D_.mf(c[a.w[0]].a/e,g)),q);D_.ef(a,BP(D_.mf(c[a.w[0]].b/e,g)),q);a.hb&&D_.ef(a,BP(D_.mf(c[a.w[0]].c/e,g)),q)}a.q=D_.ff(a)};D_.jf=function jf(a,b,c,d,e,f,g){var h,i,j;h=c==-1?(g[b].a-g[a.w[0]].a)/8:g[b].a-g[c].a;i=c==-1?(g[b].b-g[a.w[0]].b)/8:g[b].b-g[c].b;D_.ef(a,BP(PL((d+h)/e)),f);D_.ef(a,BP(PL((d+i)/e)),f);if(a.hb){j=c==-1?(g[b].c-g[a.w[0]].c)/8:g[b].c-g[c].c;D_.ef(a,BP(PL((d+j)/e)),f)}};D_.kf=function kf(a,b){var c;for(c=0;c<a.u;c++)b-=16;b<0&&(z_.AT(),String.fromCharCode(10));while(b>15){D_.ef(a,1,1);D_.ef(a,15,4);b-=16;++a.u}D_.ef(a,1,1);D_.ef(a,y_.xP(b),4)};D_.lf=function lf(a){var b,c,d,e,f,g;if(a.P.d==0){a.L='';return}f=0;d=false;e=false;for(c=0;c<a.P.d;c++){f<D_.Hj(a.P,c)&&(f=D_.Hj(a.P,c));D_.uk(a.P,c)?(d=true):(e=true)}if(f==0){a.L='';return}g=D_.Rf(f);D_.gf(a,true);D_.ef(a,y_.xP(g),4);D_.ef(a,y_.xP(d?1:0),1);D_.ef(a,y_.xP(e?1:0),1);for(b=0;b<a.P.d;b++){D_.ef(a,BP(D_.Hj(a.P,a.w[b])),g);d&&e&&D_.ef(a,BP(D_.uk(a.P,a.w[b])?1:0),1)}a.L=D_.ff(a)};
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76
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a.F[b]==257||a.F[b]==129};D_.Lk=function Lk(a,b,c){return (a.F[b]==257||a.F[b]==129)&&a.B[0][b]==c};D_.Mk=function Mk(a,b){var c,d,e,f;if(a.I){if(KP(pP(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<=103))return false}}return D_.lm(a.A[b])};D_.Nk=function Nk(a,b){a.A[b]=-1};D_.Ok=function Ok(a,b){a.F[b]=512};D_.Pk=function Pk(a,b,c,d,e,f,g,h){var i,j,k,l,m,n,o,p,q,r;if(b!=d){q=a.H[b].a-a.H[d].a;r=a.H[b].b-a.H[d].b;h=$wnd.Math.sqrt(q*q+r*r)}i=b;k=D_.Ol(a,b)!=3;for(p=1;p<c;p++){m=a.H[i].a+h*$wnd.Math.sin(f);n=a.H[i].b+h*$wnd.Math.cos(f);o=-1;for(l=0;l<a.o;l++){if($wnd.Math.abs(m-a.H[l].a)<4&&$wnd.Math.abs(n-a.H[l].b)<4){o=l;break}}if(o==-1){o=D_.Si(a,m,n,0);a.H[o].a=m;a.H[o].b=n;a.H[o].c=0}j=D_._j(a,i,o);if(j==-1){j=D_.Vi(a,i,o,D_.Ek(a,i)||D_.Ek(a,o)?32:1);if(e){k&&D_.Ol(a,a.B[0][j])<4&&D_.Ol(a,a.B[1][j])<3&&(a.F[j]=2);k=!k}}i=o;f+=g}j=D_._j(a,i,d);j==-1&&(j=D_.Vi(a,i,d,D_.Ek(a,i)||D_.Ek(a,d)?32:1));e&&k&&D_.Ol(a,a.B[0][j])<4&&D_.Ol(a,a.B[1][j])<4&&(a.F[j]=2)};D_.Qk=function Qk(a,b,c){var d,e;if(D_.ak(a,b)!=1)return false;if((a.s[c]&3)!=0)return true;for(e=0;e<a.p;e++)if(e!=b&&a.F[e]==2&&(a.B[0][e]==c&&(a.s[a.B[1][e]]&3)!=0||a.B[1][e]==c&&(a.s[a.B[0][e]]&3)!=0))return true;for(d=0;d<a.p;d++)if(d!=b&&a.F[d]==1&&(a.B[0][d]==c||a.B[1][d]==c)&&(a.C[d]&3)!=0)return true;return false};D_.Rk=function Rk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-449};D_.Sk=function Sk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-131073};D_.Tk=function Tk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-513};D_.Uk=function Uk(a){var b;for(b=0;b<a.p;b++)a.C[b]&=-98305};D_.Vk=function Vk(a,b){var c;for(c=0;c<a.o;c++)$wnd.Math.abs(a.u[c])==$wnd.Math.abs(b)&&(a.u[c]=0)};D_.Wk=function Wk(a){var b,c,d,e;e=false;for(c=0;c<a.o;c++){if(KP(pP(a.w[c],Q0),0)){a.A[c]=-1;e=true}}e&&D_.sj(a);if(a.t!=null){a.t=null;e=true}for(b=0;b<a.o;b++){if(KP(a.w[b],0)){a.w[b]=0;e=true}}for(d=0;d<a.p;d++){if(a.D[d]!=0){a.D[d]=0;e=true}if(a.F[d]==64){a.F[d]=1;e=true}}e&&(a.R=0);return e};D_.Xk=function Xk(a,b){var c,d,e,f,g,h,i,j,k;if(b==0)return 0;h=null;for(d=0;d<a.o;d++){if((a.s[d]&E1)>>18==b){h==null&&(h=AK(y_.iP,P0,5,32,16,1));h[(a.s[d]&E1)>>18!=1&&(a.s[d]&E1)>>18!=2?-1:(a.s[d]&X1)>>20]=true}}for(f=0;f<a.p;f++){if((a.C[f]&768)>>8==b){h==null&&(h=AK(y_.iP,P0,5,32,16,1));h[(a.C[f]&768)>>8!=1&&(a.C[f]&768)>>8!=2?-1:(a.C[f]&Y1)>>10]=true}}k=0;if(h!=null){j=AK(y_.UL,v0,5,32,15,1);for(i=0;i<32;i++)h[i]&&(j[i]=k++);for(c=0;c<a.o;c++){if((a.s[c]&E1)>>18==b){g=j[(a.s[c]&E1)>>18!=1&&(a.s[c]&E1)>>18!=2?-1:(a.s[c]&X1)>>20];a.s[c]&=-32505857;a.s[c]|=g<<20}}for(e=0;e<a.p;e++){if((a.C[e]&768)>>8==b){g=j[(a.C[e]&768)>>8!=1&&(a.C[e]&768)>>8!=2?-1:(a.C[e]&Y1)>>10];a.C[e]&=-31745;a.C[e]|=g<<10}}}return k};D_.Yk=function Yk(a,b){var c;for(c=0;c<a.o;c++){a.H[c].a*=b;a.H[c].b*=b}};D_.Zk=function Zk(a,b){a.o=b;a.R=0};D_.$k=function $k(a,b){a.p=b;a.R=0};D_._k=function _k(a,b,c){if(c>=-1&&c<=14){a.s[b]&=-2013265921;a.s[b]|=1+c<<27;if(a.A[b]==6){if(c==-1||c==0||c==2||c==4){a.s[b]&=-49;c==2&&(a.s[b]|=16)}}}};D_.al=function al(a,b,c){a.s[b]&=-49153;a.s[b]|=c<<14};D_.bl=function bl(a,b,c){a.q[b]=c;a.R=0};D_.cl=function cl(a,b,c){a.s[b]&=-449;a.s[b]|=c};D_.dl=function dl(a,b,c){c?(a.s[b]|=_1):(a.s[b]&=-33554433);a.R&=7};D_.el=function el(a,b,c){var d,e;if(c!=null){if(C_.t_(c).length==0)c=null;else{d=D_.gm(c,321);if(d!=0&&z_.RS(c,D_.Li[d])||z_.RS(c,'?')){D_.ul(a,b,d);c=null}}}if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=AK(y_.QL,a0,8,a.K,0,2));a.r[b]=C_.$$((e=c,C_.V$(),e))}};
|
|
79
|
-
D_.fl=function fl(a,b,c){c!=null&&c.length==0&&(c=null);if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=AK(y_.QL,a0,8,a.K,0,2));a.r[b]=c}};D_.gl=function gl(a,b,c,d){var e,f,g;if(c==0){a.s[b]&=c2;a.s[b]|=c<<18}else{if(d>=32)return;if(d==-1){g=-1;for(f=0;f<a.o;f++)f!=b&&c==(a.s[f]&E1)>>18&&g<((a.s[f]&E1)>>18!=1&&(a.s[f]&E1)>>18!=2?-1:(a.s[f]&X1)>>20)&&(g=(a.s[f]&E1)>>18!=1&&(a.s[f]&E1)>>18!=2?-1:(a.s[f]&X1)>>20);for(e=0;e<a.p;e++)c==(a.C[e]&768)>>8&&g<((a.C[e]&768)>>8!=1&&(a.C[e]&768)>>8!=2?-1:(a.C[e]&Y1)>>10)&&(g=(a.C[e]&768)>>8!=1&&(a.C[e]&768)>>8!=2?-1:(a.C[e]&Y1)>>10);d=g+1;if(d>=32)return}a.s[b]&=c2;a.s[b]|=c<<18|d<<20}a.R&=7};D_.hl=function hl(a,b,c){a.t==null&&(a.t=AK(y_.UL,M1,6,a.K,0,2));C_.T$(c,C_.t_(gQ(E_.xY.prototype.$b,E_.xY,[])));a.t[b]=c;a.R=0;a.I=true};D_.il=function il(a,b,c,d){var 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f,g,h,i,j;d&&D_.Ds(a,7);b.t=null;a.I&&D_.Gl(b,true);e==null&&(e=AK(y_.UL,v0,5,a.o,15,1));b.o=0;for(f=0;f<a.o;f++){e[f]=-1;for(j=0;j<a.g[f];j++){if(c[a.i[f][j]]){e[f]=D_.ij(a,b,f,0,0);break}}}b.p=0;for(i=0;i<a.p;i++)if(c[i]){D_.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{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)}}}D_.mj(a,b);!!a.b&&(b.R=0);b.R=0;D_.Xk(b,1);D_.Xk(b,2);b.o!=a.o&&D_.Gl(b,true);d&&D_.be(new D_.le(b),null,false);return e};D_.um=function um(a,b){var 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f,g,h,i;g=a.c[b];if(a.k[b]!=0||b<a.d&&D_.uq(a.n,b)||a.g[b]<3||g>4)return false;i=AK(y_.iP,P0,5,4,16,1);for(h=0;h<g;h++){f=3.9269908169872414-d[h];if($wnd.Math.abs(f2-f%V0)>0.0872664675116539)return false;e[h]=3&PL(f/V0);if(i[e[h]])return false;i[e[h]]=true;if((e[h]&1)==0){if(a.F[a.i[b][c[h]]]!=1)return false}else{if(!D_.Lk(a,a.i[b][c[h]],b))return false}}return i[0]&&i[2]};D_.Wm=function Wm(a,b,c,d,e){var f,g,h,i,j,k,l,m;if((!!a.n&&b<a.d?D_.kq(a.n,b):0)>24)return 3;f=a.c[b];e==null&&(e=AK(y_.UL,v0,5,f,15,1));if(!D_.Vm(a,b,c,d,e))return 3;i=-1;for(j=0;j<f;j++){if((e[j]&1)==1){g=a.F[a.i[b][c[j]]];if(i!=-1&&i!=g)return 3;i=g}}k=$wnd.Math.abs(e[0]-e[1])==2?1:0;h=e[k]-e[k+1];m=$wnd.Math.abs(h)==3^e[k]<e[k+1];l=f==3||(e[3]&1)==1;return m^l^i==129?1:2};D_.Xm=function Xm(a,b,c){var d,e,f,g,h,i,j,k,l,m;D_.Ds(a,1);m=AK(y_.iP,P0,5,a.o,16,1);j=AK(y_.UL,v0,5,a.o,15,1);j[0]=b;m[b]=true;g=0;k=0;i=1;while(g<=k){f=c?D_.Cm(a,j[g]):a.c[j[g]];for(l=0;l<f;l++){e=a.f[j[g]][l];if(!m[e]){j[++k]=e;m[e]=true;++i}}++g}h=AK(y_.UL,v0,5,i,15,1);i=0;for(d=0;d<a.o;d++)m[d]&&(h[i++]=d);return h};D_.Ym=function Ym(a,b,c,d){var e,f,g,h,i,j,k,l,m;D_.Ds(a,1);for(f=0;f<a.o;f++)b[f]=-1;j=0;for(e=0;e<a.o;e++){if(b[e]==-1&&(!c||(a.s[e]&Q1)!=0)){b[e]=j;k=AK(y_.UL,v0,5,a.o,15,1);k[0]=e;i=0;l=0;while(i<=l){h=d?D_.Cm(a,k[i]):a.c[k[i]];for(m=0;m<h;m++){g=a.f[k[i]][m];if(b[g]==-1&&(!c||(a.s[g]&Q1)!=0)){k[++l]=g;b[g]=j}}++i}++j}}return j};D_.Zm=function Zm(a,b){var c;return c=D_.jk(a,b),c+D_.hk(a,b,c)-D_.gn(a,b)};D_.$m=function $m(a,b){var c,d,e,f,g,h;f=AK(y_.UL,v0,5,a.o,15,1);for(d=0;d<a.o;d++)f[d]=d;e=a.o;do --e;while(e>=0&&b[e]);for(c=0;c<e;c++){if(b[f[c]]){h=f[c];f[c]=f[e];f[e]=h;g=b[c];b[c]=b[e];b[e]=g;do --e;while(b[e])}}return f};D_._m=function _m(a){return D_.$m(a,D_.Am(a))};D_.an=function 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(a.C[b]&128)!=0};D_.Tn=function Tn(a,b){return (a.s[b]&x1)!=0};D_.Un=function Un(a){var b,c,d,e,f,g,h,i,j,k,l;D_.Ds(a,1);D_.Vn(a);j=false;for(c=0;c<a.d;c++){if(a.A[c]==7&&a.q[c]==0){l=D_.gn(a,c);if(l==4){for(k=0;k<a.g[c];k++){h=a.f[c][k];if(a.j[c][k]==1&&a.A[h]==8&&a.g[h]==1&&a.q[h]==0){j=true;++a.q[c];--a.q[h];break}}}else if(l==5){for(k=0;k<a.g[c];k++){h=a.f[c][k];i=a.i[c][k];if(a.j[c][k]==2&&a.A[h]==8){j=true;++a.q[c];--a.q[h];a.F[i]=1;break}if(a.j[c][k]==3&&a.A[h]==7){j=true;++a.q[c];--a.q[h];a.F[i]=2;break}}}}}g=false;for(f=0;f<a.e;f++){for(k=0;k<2;k++){if(D_.Bk(a,a.B[k][f])){b=a.B[1-k][f];e=a.A[b];if(e==3||e==11||e==19||e==37||e==55||(d=a.A[b],d==12||d==20||d==38||d==56)){if(D_.ak(a,f)==1){++a.q[b];--a.q[a.B[k][f]];a.F[f]=512;g=true}else if(a.F[f]==32){a.F[f]=512;g=true}}break}}}if(g){D_.hj(a);j=true}j&&(a.R=0);return j};D_.Vn=function Vn(a){var b;for(b=0;b<a.e;b++)if(a.F[b]==64)return D_.be(new D_.le(a),null,false);return false};D_.Wn=function Wn(a,b,c){var d,e,f,g,h,i,j,k;j=-1;e=0;for(h=0;h<2;h++){d=a.f[b][h];for(i=0;i<a.c[d];i++){f=a.f[d][i];if(f!=b){g=a.i[d][i];k=D_.tn(a,g,f);if(e<k&&(!c||!(a.F[g]==257||a.F[g]==129))){e=k;j=g}}}}return j};D_.Xn=function Xn(a,b){var c,d,e,f,g,h,i,j;i=-1;d=0;for(g=0;g<2;g++){c=a.B[g][b];for(h=0;h<a.c[c];h++){e=a.f[c][h];if(e!=a.B[1-g][b]){f=a.i[c][h];j=D_.tn(a,f,e);if(d<j){d=j;i=f}}}}return i};D_.Yn=function Yn(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;d=a.c[b];e=AK(y_.SL,z1,5,d,15,1);for(q=0;q<d;q++)e[q]=D_.Tj(a,b,a.f[b][q]);for(r=1;r<d;r++){for(u=0;u<r;u++){f=$wnd.Math.abs(D_.fm(e[r],e[u]));if(f<0.08||f>g2){g=0;h=0;for(v=0;v<d;v++){if(v!=r&&v!=u){g+=$wnd.Math.abs(M_.CH(e[r],e[v]));h+=$wnd.Math.abs(M_.CH(e[u],e[v]))}}j=g<h?a.i[b][r]:a.i[b][u];if(D_.ak(a,j)==1&&(!c||!(a.F[j]==257||a.F[j]==129)))return j}}}t=AK(y_.iP,P0,5,d,16,1);for(s=0;s<d;s++){k=-10;l=10;for(u=0;u<d;u++){if(u!=s){o=M_.CH(e[s],e[u]);o<0?k<o&&(k=o):l>o&&(l=o)}t[s]=l-k<U0}}w=-1;i=0;for(p=0;p<d;p++){m=a.f[b][p];n=a.i[b][p];A=D_.tn(a,n,m);t[p]&&(A+=W0);if(i<A&&(!c||!(a.F[n]==257||a.F[n]==129))){i=A;w=n}}return w};D_.Zn=function Zn(a,b){var c,d,e,f;D_.Ds(a,b?15:1);a.o=a.d;a.p=a.e;for(d=0;d<a.d;d++){if(a.c[d]!=a.g[d]){c=D_.an(a,d,false);a.c[d]=a.g[d];if(c!=-1){f=D_.an(a,d,true);if(c!=f){e=((a.s[d]&W1)>>>27)-1;(e==-1||e<c)&&D_._k(a,d,c)}}}}b&&D_.eo(a);a.R=0};
|
|
80
|
-
D_.$n=function $n(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.g[b]!=2||a.j[b][0]!=2||a.j[b][1]!=2||a.g[a.f[b][0]]<2||a.g[a.f[b][1]]<2||a.k[a.f[b][0]]!=1||a.k[a.f[b][1]]!=1){D_.ml(a,b,0,false);return}v=-1;u=-1;t=-1;q=-1;f=0;for(l=0;l<2;l++){d=a.f[b][l];for(o=0;o<a.c[d];o++){g=a.f[d][o];if(g!=b){h=a.i[d][o];w=D_.tn(a,h,g);if(f<w){f=w;u=g;v=h;t=d;q=a.f[b][1-l]}}}}if(u==-1)return;for(m=0;m<2;m++){d=a.f[b][m];for(o=0;o<a.c[d];o++){g=a.f[d][o];h=a.i[d][o];g!=b&&a.B[0][h]==d&&(a.F[h]=1)}}if(a.B[1][v]!=u){a.B[0][v]=a.B[1][v];a.B[1][v]=u}i=f0;for(n=0;n<a.g[t];n++){g=a.f[t][n];g!=b&&i>g&&(i=g)}r=AK(y_.UL,v0,5,2,15,1);s=0;for(k=0;k<a.g[q];k++){g=a.f[q][k];g!=b&&(r[s++]=g)}c=D_.em(a.H[b].a,a.H[b].b,a.H[q].a,a.H[q].b);e=0;if(s==2){if(r[0]>r[1]){A=r[0];r[0]=r[1];r[1]=A}j=D_.fm(c,D_.Tj(a,q,r[0]));p=D_.fm(c,D_.Tj(a,q,r[1]));e=j-p}else{e=D_.fm(c,D_.Tj(a,q,r[0]))}e<0^(a.s[b]&3)==1^i==u?(a.F[v]=257):(a.F[v]=129)};D_._n=function _n(a,b,c,d){var e,f,g,h,i,j;e=a.c[b];h=AK(y_.UL,v0,5,e,15,1);j=D_.Wm(a,b,c,d,h);if(j==3)return false;g=(a.s[b]&3)==j?257:129;for(i=0;i<e;i++){if((h[i]&1)==1){f=a.i[b][c[i]];a.F[f]=g;if(a.B[0][f]!=b){a.B[1][f]=a.B[0][f];a.B[0][f]=b}}}return true};D_.ao=function ao(a,b){a.R|=248&(8|b)};D_.bo=function bo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;D_.rm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){D_.$n(a,b);return}if(a.g[b]<3||a.g[b]>4){D_.ml(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(D_.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=D_.rn(a,b);d=AK(y_.SL,z1,5,c,15,1);for(h=0;h<c;h++)d[h]=D_.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&D_.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?D_.kq(a.n,b):0)<=24&&D_._n(a,b,p,d))return;m=D_.Yn(a,b,true);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=IK(uK(y_.UL,2),M1,6,0,[IK(uK(y_.UL,1),v0,5,15,[2,1,2,1]),IK(uK(y_.UL,1),v0,5,15,[1,2,2,1]),IK(uK(y_.UL,1),v0,5,15,[1,1,2,2]),IK(uK(y_.UL,1),v0,5,15,[2,1,1,2]),IK(uK(y_.UL,1),v0,5,15,[2,2,1,1]),IK(uK(y_.UL,1),v0,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=T0);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<U0||d[1]>d[2]&&d[1]-d[2]>U0;break;case 1:k=d[2]-d[0]>U0;break;case 2:k=d[1]-d[0]<U0;}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};D_.co=function co(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||!D_.Fn(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&&D_.ak(a,h)==1){g=a.f[d][o];w=D_.tn(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&&D_.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=f0;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=AK(y_.UL,v0,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=D_.em(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=D_.fm(f,D_.Tj(a,s,q[0]));p=D_.fm(f,D_.Tj(a,s,q[1]));c=j-p}else{c=D_.fm(f,D_.Tj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};D_.eo=function eo(a){var b,c,d,e;D_.Ds(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++)D_.bo(a,b);for(e=0;e<a.e;e++)D_.co(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};D_.fo=function fo(b,c){var d,e,f,g,h,i,j,k,l,m;i=AK(y_.UL,v0,5,b.o,15,1);h=D_.Ym(b,i,false,c);if(h<=1)return null;j=AK(y_.UL,v0,5,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=D_.hj(b);b.R=0;try{D_.pm(b,true,true)}catch(a){a=mP(a);if(!GL(a,13))throw nP(a)}return f};D_.go=function go(a,b){if((a.s[b]&W1)!=0)return true;if(a.A[b]==1)return false;return D_.Gk(a,b)||a.A[b]==13||a.A[b]>=171};D_.ho=function ho(a){var b,c,d,e,f,g,h,i,j,k;f=D_.Rj(a,a.o,a.p,D_.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 nP(new z_.qI('The distance between two atoms is too close.'))}}D_.Ds(a,1);b=0;for(c=0;c<a.d;c++){if(D_.gn(a,c)>(h=D_.jk(a,c),h+D_.hk(a,c,h)))throw nP(new z_.qI('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw nP(new z_.qI('unbalanced atom charge'))};D_.io=function io(a,b,c){var d;d=D_.Ul(a,b,c);if(d&&c==386){D_.Ds(a,7);d=d&(a.C[b]&128)==0}return d};D_.jo=function jo(){D_.Xl.call(this)};D_.ko=function ko(a,b){D_.Yl.call(this,a,b)};D_.lo=function lo(a){D_.Yl.call(this,!a?256:a.K,!a?256:a.L);!!a&&D_.lj(a,this)};dQ(69,60,{69:1,60:1,4:1});_.wb=function mo(a){D_.um(this,a)};_.vb=function no(a){return D_.In(this,a)};_.d=0;_.e=0;y_.pM=wR(69);D_.oo=function oo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};D_.po=function po(a,b){var c,d;c=b;d=0;while(b!=0){if(a.c==0){a.e=(a.b[++a.d]&63)<<11;a.c=6}d|=(n0&a.e)>>16-c+b;a.e<<=1;--b;--a.c}return d};D_.qo=function qo(a,b,c){a.c=6;a.d=c;a.b=b;a.e=(b[a.d]&63)<<11};D_.ro=function ro(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};D_.so=function so(a,b){var c;return b==null||C_.t_(b).length==0?null:D_.uo(a,C_.$$((c=b,C_.V$(),c)),null)};D_.to=function to(a,b,c){var d,e;return b==null?null:D_.uo(a,C_.$$((e=b,C_.V$(),e)),c==null?null:C_.$$((d=c,d)))};D_.uo=function uo(a,b,c){var d,e,f,g,h;D_.qo(a,b,0);d=D_.po(a,4);g=D_.po(a,4);d>8&&(d=g);e=D_.po(a,d);f=D_.po(a,g);h=new D_.Vs(e,f);D_.vo(a,h,b,c,0);return h};D_.vo=function vo(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;D_.gj(c);if(0>=d.length)return;b.f=c;uc=8;e!=null&&(f<0||f>=e.length)&&(e=null);D_.qo(b,d,0);i=D_.po(b,4);B=D_.po(b,4);if(i>8){uc=i;i=B}if(i==0){D_.Gl(b.f,D_.po(b,1)==1);return}j=D_.po(b,i);k=D_.po(b,B);ic=D_.po(b,i);mc=D_.po(b,i);lc=D_.po(b,i);O=D_.po(b,i);for(o=0;o<j;o++)D_.Ti(b.f,6);for(kb=0;kb<ic;kb++)D_.ul(b.f,D_.po(b,i),7);for(lb=0;lb<mc;lb++)D_.ul(b.f,D_.po(b,i),8);for(wb=0;wb<lc;wb++)D_.ul(b.f,D_.po(b,i),D_.po(b,8));for(Hb=0;Hb<O;Hb++)D_.bl(b.f,D_.po(b,i),D_.po(b,4)-8);P=1+k-j;V=D_.po(b,4);A=0;D_.rl(b.f,0,0);D_.sl(b.f,0,0);D_.tl(b.f,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=D_.po(b,V);if(X==0){if(W){D_.rl(b.f,Sb,D_.Mj(b.f,0)+8*(e[Sb*2-2]-83));D_.sl(b.f,Sb,D_.Nj(b.f,0)+8*(e[Sb*2-1]-83));R&&D_.tl(b.f,Sb,D_.Oj(b.f,0)+8*(e[2*j-3+Sb]-83))}++P;continue}A+=X-1;if(W){D_.rl(b.f,Sb,D_.Mj(b.f,A)+e[Sb*2-2]-83);D_.sl(b.f,Sb,D_.Nj(b.f,A)+e[Sb*2-1]-83);R&&D_.tl(b.f,Sb,D_.Oj(b.f,A)+(e[2*j-3+Sb]-83))}D_.Vi(b.f,A,Sb,1)}for(Wb=0;Wb<P;Wb++)D_.Vi(b.f,D_.po(b,i),D_.po(b,i),1);ac=AK(y_.iP,P0,5,k,16,1);for(I=0;I<k;I++){J=D_.po(b,2);switch(J){case 0:ac[I]=true;break;case 2:D_.El(b.f,I,2);break;case 3:D_.El(b.f,I,4);}}h=D_.po(b,i);for(Xb=0;Xb<h;Xb++){n=D_.po(b,i);if(uc==8){nc=D_.po(b,2);if(nc==3){D_.gl(b.f,n,1,0);D_.ml(b.f,n,1,false)}else{D_.ml(b.f,n,nc,false)}}else{nc=D_.po(b,3);switch(nc){case 4:D_.ml(b.f,n,1,false);D_.gl(b.f,n,1,D_.po(b,3));break;case 5:D_.ml(b.f,n,2,false);D_.gl(b.f,n,1,D_.po(b,3));break;case 6:D_.ml(b.f,n,1,false);D_.gl(b.f,n,2,D_.po(b,3));break;case 7:D_.ml(b.f,n,2,false);D_.gl(b.f,n,2,D_.po(b,3));break;default:D_.ml(b.f,n,nc,false);}}}uc==8&&D_.po(b,1)==0&&(b.f.J=true);g=D_.po(b,B);for(Yb=0;Yb<g;Yb++){D=D_.po(b,B);if(D_.dk(b.f,D)==1){nc=D_.po(b,3);switch(nc){case 4:D_.Bl(b.f,D,1,false);D_.yl(b.f,D,1,D_.po(b,3));break;case 5:D_.Bl(b.f,D,2,false);D_.yl(b.f,D,1,D_.po(b,3));break;case 6:D_.Bl(b.f,D,1,false);D_.yl(b.f,D,2,D_.po(b,3));break;case 7:D_.Bl(b.f,D,2,false);D_.yl(b.f,D,2,D_.po(b,3));break;default:D_.Bl(b.f,D,nc,false);}}else{D_.Bl(b.f,D,D_.po(b,2),false)}}D_.Gl(b.f,D_.po(b,1)==1);m=null;kc=0;while(D_.po(b,1)==1){U=kc+D_.po(b,4);switch(U){case 0:jc=D_.po(b,i);for(Zb=0;Zb<jc;Zb++){n=D_.po(b,i);D_.nl(b.f,n,y1,true)}break;case 1:jc=D_.po(b,i);for($b=0;$b<jc;$b++){n=D_.po(b,i);gc=D_.po(b,8);D_.ll(b.f,n,gc)}break;case 2:jc=D_.po(b,B);for(mb=0;mb<jc;mb++){D_.po(b,B)}break;case 3:jc=D_.po(b,i);for(nb=0;nb<jc;nb++){n=D_.po(b,i);D_.nl(b.f,n,X0,true)}break;case 4:jc=D_.po(b,i);for(ob=0;ob<jc;ob++){n=D_.po(b,i);rc=NP(BP(D_.po(b,4)),3);D_.nl(b.f,n,rc,true)}break;case 5:jc=D_.po(b,i);for(pb=0;pb<jc;pb++){n=D_.po(b,i);l=NP(BP(D_.po(b,2)),1);D_.nl(b.f,n,l,true)}break;case 6:jc=D_.po(b,i);for(qb=0;qb<jc;qb++){n=D_.po(b,i);D_.nl(b.f,n,1,true)}break;case 7:jc=D_.po(b,i);for(rb=0;rb<jc;rb++){n=D_.po(b,i);hb=NP(BP(D_.po(b,4)),7);D_.nl(b.f,n,hb,true)}break;case 8:jc=D_.po(b,i);for(sb=0;sb<jc;sb++){n=D_.po(b,i);t=D_.po(b,4);r=AK(y_.UL,v0,5,t,15,1);for(bc=0;bc<t;bc++){s=D_.po(b,8);r[bc]=s}D_.hl(b.f,n,r)}break;case 9:jc=D_.po(b,B);for(tb=0;tb<jc;tb++){D=D_.po(b,B);rc=D_.po(b,2)<<7;D_.Dl(b.f,D,rc,true)}break;case 10:jc=D_.po(b,B);for(ub=0;ub<jc;ub++){D=D_.po(b,B);L=D_.po(b,5);D_.Dl(b.f,D,L,true)}break;case 11:jc=D_.po(b,i);for(vb=0;vb<jc;vb++){n=D_.po(b,i);D_.nl(b.f,n,x1,true)}break;case 12:jc=D_.po(b,B);for(xb=0;xb<jc;xb++){D=D_.po(b,B);M=D_.po(b,8)<<9;D_.Dl(b.f,D,M,true)}break;case 13:jc=D_.po(b,i);for(yb=0;yb<jc;yb++){n=D_.po(b,i);oc=NP(BP(D_.po(b,3)),14);D_.nl(b.f,n,oc,true)}break;case 14:jc=D_.po(b,i);for(zb=0;zb<jc;zb++){n=D_.po(b,i);hc=NP(BP(D_.po(b,5)),17);D_.nl(b.f,n,hc,true)}break;case 15:case 31:kc+=16;break;case 16:jc=D_.po(b,i);for(Ab=0;Ab<jc;Ab++){n=D_.po(b,i);qc=NP(BP(D_.po(b,3)),22);D_.nl(b.f,n,qc,true)}break;case 17:jc=D_.po(b,i);for(Bb=0;Bb<jc;Bb++){n=D_.po(b,i);D_._k(b.f,n,D_.po(b,4))}break;case 18:jc=D_.po(b,i);fc=D_.po(b,4);for(Cb=0;Cb<jc;Cb++){n=D_.po(b,i);T=D_.po(b,fc);cc=AK(y_.QL,P1,5,T,15,1);for(bc=0;bc<T;bc++)cc[bc]=D_.po(b,7)<<24>>24;D_.el(b.f,n,z_.gT(C_.Y$(cc,0,(dc=cc.length,C_.V$(),dc))))}break;case 19:jc=D_.po(b,i);for(Db=0;Db<jc;Db++){n=D_.po(b,i);N=NP(BP(D_.po(b,3)),25);D_.nl(b.f,n,N,true)}break;case 20:jc=D_.po(b,B);for(Eb=0;Eb<jc;Eb++){D=D_.po(b,B);qc=D_.po(b,3)<<17;D_.Dl(b.f,D,qc,true)}break;case 21:jc=D_.po(b,i);for(Fb=0;Fb<jc;Fb++){n=D_.po(b,i);D_.ol(b.f,n,D_.po(b,2)<<4)}break;case 22:jc=D_.po(b,i);for(Gb=0;Gb<jc;Gb++){n=D_.po(b,i);D_.nl(b.f,n,w1,true)}break;case 23:jc=D_.po(b,B);for(Ib=0;Ib<jc;Ib++){D=D_.po(b,B);D_.Dl(b.f,D,S1,true)}break;case 24:jc=D_.po(b,B);for(Jb=0;Jb<jc;Jb++){D=D_.po(b,B);l=D_.po(b,2)<<21;D_.Dl(b.f,D,l,true)}break;case 25:for(Kb=0;Kb<j;Kb++)D_.po(b,1)==1&&D_.pl(b.f,Kb,true);break;case 26:jc=D_.po(b,B);m=AK(y_.UL,v0,5,jc,15,1);for(Lb=0;Lb<jc;Lb++)m[Lb]=D_.po(b,B);break;case 27:jc=D_.po(b,i);for(Mb=0;Mb<jc;Mb++){n=D_.po(b,i);D_.nl(b.f,n,Q0,true)}break;case 28:jc=D_.po(b,B);for(Nb=0;Nb<jc;Nb++)D_.El(b.f,D_.po(b,B),32);break;case 29:jc=D_.po(b,i);for(Ob=0;Ob<jc;Ob++){n=D_.po(b,i);gb=NP(BP(D_.po(b,2)),30);D_.nl(b.f,n,gb,true)}break;case 30:jc=D_.po(b,i);for(Pb=0;Pb<jc;Pb++){n=D_.po(b,i);qc=NP(BP(D_.po(b,7)),32);D_.nl(b.f,n,qc,true)}break;case 32:jc=D_.po(b,i);for(Qb=0;Qb<jc;Qb++){n=D_.po(b,i);sc=NP(BP(D_.po(b,2)),44);D_.nl(b.f,n,sc,true)}break;case 33:jc=D_.po(b,i);for(Rb=0;Rb<jc;Rb++){n=D_.po(b,i);bb=NP(BP(D_.po(b,5)),39);D_.nl(b.f,n,bb,true)}break;case 34:jc=D_.po(b,i);for(Tb=0;Tb<jc;Tb++){n=D_.po(b,i);D_.nl(b.f,n,$0,true)}break;case 35:jc=D_.po(b,B);for(Ub=0;Ub<jc;Ub++){D=D_.po(b,B);D_.Dl(b.f,D,8388608,true)}break;case 36:jc=D_.po(b,B);for(Vb=0;Vb<jc;Vb++){D=D_.po(b,B);K=D_.po(b,2)<<5;D_.Dl(b.f,D,K,true)}break;case 37:jc=D_.po(b,B);for(jb=0;jb<jc;jb++){D=D_.po(b,B);K=D_.po(b,1)==0?8:16;D_.El(b.f,D,K)}}}D_.be(new D_.le(b.f),ac,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];D_.El(b.f,D,D_.dk(b.f,D)==2?4:2)}if(e==null&&!b.g&&d.length>b.d+1&&(d[b.d+1]==32||d[b.d+1]==9)){e=d;f=b.d+2}if(e!=null){try{if(e[f]==33||e[f]==35){D_.qo(b,e,f+1);R=D_.po(b,1)==1;S=D_.po(b,1)==1;pc=2*D_.po(b,4);C=1<<pc;eb=0;D=0;for(p=1;p<j;p++){if(D<k&&D_.Uj(b.f,1,D)==p){eb=D_.Uj(b.f,0,D++);db=1}else{eb=0;db=8}D_.rl(b.f,p,D_.Mj(b.f,eb)+db*(D_.po(b,pc)-(C/2|0)));D_.sl(b.f,p,D_.Nj(b.f,eb)+db*(D_.po(b,pc)-(C/2|0)));R&&D_.tl(b.f,p,D_.Oj(b.f,eb)+db*(D_.po(b,pc)-(C/2|0)))}if(e[f]==35){ib=0;fb=AK(y_.UL,v0,5,j,15,1);for(q=0;q<j;q++)ib+=fb[q]=D_.bn(b.f,q);for(n=0;n<j;n++){for(jb=0;jb<fb[n];jb++){hb=D_.Ti(b.f,1);D_.Vi(b.f,n,hb,1);D_.rl(b.f,hb,D_.Mj(b.f,n)+(D_.po(b,pc)-(C/2|0)));D_.sl(b.f,hb,D_.Nj(b.f,n)+(D_.po(b,pc)-(C/2|0)));R&&D_.tl(b.f,hb,D_.Oj(b.f,n)+(D_.po(b,pc)-(C/2|0)))}}j+=ib;k+=ib}v=R?1.5:(D_.Ri(),D_.Ri(),D_.Qi);u=D_.Rj(b.f,j,k,v);if(S){tc=D_.oo(D_.po(b,pc),C);wc=tc*D_.ro(D_.po(b,pc),C);yc=tc*D_.ro(D_.po(b,pc),C);R&&(Ac=tc*D_.ro(D_.po(b,pc),C));db=tc/u;for(n=0;n<j;n++){D_.rl(b.f,n,wc+db*D_.Mj(b.f,n));D_.sl(b.f,n,yc+db*D_.Nj(b.f,n));R&&D_.tl(b.f,n,Ac+db*D_.Oj(b.f,n))}}else{tc=1.5;db=tc/u;for(n=0;n<j;n++){D_.rl(b.f,n,db*D_.Mj(b.f,n));D_.sl(b.f,n,db*D_.Nj(b.f,n));R&&D_.tl(b.f,n,db*D_.Oj(b.f,n))}}}else{R&&!S&&tc==0&&(tc=1.5);if(tc!=0&&b.f.p!=0){u=0;for(D=0;D<b.f.p;D++){Y=D_.Mj(b.f,D_.Uj(b.f,0,D))-D_.Mj(b.f,D_.Uj(b.f,1,D));Z=D_.Nj(b.f,D_.Uj(b.f,0,D))-D_.Nj(b.f,D_.Uj(b.f,1,D));$=R?D_.Oj(b.f,D_.Uj(b.f,0,D))-D_.Oj(b.f,D_.Uj(b.f,1,D)):0;u+=$wnd.Math.sqrt(Y*Y+Z*Z+$*$)}u/=b.f.p;cb=tc/u;for(n=0;n<b.f.o;n++){D_.rl(b.f,n,D_.Mj(b.f,n)*cb+wc);D_.sl(b.f,n,D_.Nj(b.f,n)*cb+yc);R&&D_.tl(b.f,n,D_.Oj(b.f,n)*cb+Ac)}}}}catch(a){a=mP(a);if(GL(a,13)){ab=a;z_.ZH(ab,(z_.AT(),z_.zT),'');'Faulty id-coordinates:'+z_.cI(ab,ab.Ib())+' '+z_.gT(C_.Y$(d,0,(ec=d.length,C_.V$(),ec)))+' '+z_.gT(C_.Y$(e,0,(dc=e.length,dc)));String.fromCharCode(10);e=null;R=false}else throw nP(a)}}Q=e!=null&&!R;if(Q||b.xb()){D_.Ds(b.f,7);for(D=0;D<b.f.e;D++)D_.ak(b.f,D)==2&&!D_.Sn(b.f,D)&&D_.bk(b.f,D)==0&&D_.Cl(b.f,D)}if(!Q&&b.xb()){D_.ao(b.f,0);try{b.yb(b.f);Q=true}catch(a){a=mP(a);if(GL(a,13)){ab=a;z_.ZH(ab,(z_.AT(),z_.zT),'');'2D-coordinate creation failed:'+z_.cI(ab,ab.Ib())+' '+z_.gT(C_.Y$(d,0,(dc=d.length,C_.V$(),dc)));String.fromCharCode(10)}else throw nP(a)}}if(Q){D_.eo(b.f);D_.Qs(b.f)}else R||D_.ao(b.f,0)};D_.wo=function wo(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;D_.qo(a,b,0);h=D_.po(a,4);e=D_.po(a,1)==1;f=D_.po(a,1)==1;for(c=0;c<a.f.d;c++){g=D_.po(a,h);d=e;e&&f&&(d=D_.po(a,1)==1);D_.jl(a.f,c,g,d)}};D_.xo=function xo(){};dQ(157,1,{},D_.xo);_.xb=function yo(){return false};_.yb=function zo(a){throw nP(new z_.qI('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=KP(pP(D_.Kj(a.k,e),1),0);f=D_.Fj(a.k,e);l=f!=null?D_.Ko(a,e,f,d):j?'*':D_.Ej(a.k,e);!j&&f==null&&D_.Dn(a.k,e)&&(a.j&4)==0&&(D_.Gm(a.k,e)!=0||D_.wj(a.k,e)==-1&&D_.Lj(a.k,e)==0)&&(l=C_.t_(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&D_.Ho(a,D_.Nm(a.k,b.a,b.g),b.g,c);g=D_.yj(a.k,e);if(g==0&&(a.j&1)!=0){h=pP(D_.Kj(a.k,e),b1);uP(h,e1)==0?(g=-1):uP(h,d1)==0&&(g=1)}k=D_.Ij(a.k,e);m=(a.j&2)!=0?D_.Hj(a.k,e):0;o=(a.j&1)!=0?D_.Qo(a,e,d):null;r=!j&&!D_.Xo(D_.Pj(a.k,e))||f!=null||(D_.Jj(a.k,e)==1||D_.Jj(a.k,e)==2)&&(q=D_.Dj(a.k,e)-1,!(q!=-1&&a.i[q][D_.Cj(a.k,e)]<=1))&&(D_.Pj(a.k,e)!=7||D_.yj(a.k,e)>0)||D_.Dn(a.k,e)&&D_.Gm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||D_.wj(a.k,e)!=-1||D_.Lj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(D_.Jj(a.k,e)==1||D_.Jj(a.k,e)==2)&&(p=D_.Dj(a.k,e)-1,!(p!=-1&&a.i[p][D_.Cj(a.k,e)]<=1))&&(D_.Pj(a.k,e)!=7||D_.yj(a.k,e)>0)&&z_.sT(c,D_.Po(a,e,n));if((a.j&1)==0&&r){i=D_.nn(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);$wnd.Math.abs(g)>1&&z_.pT(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);D_.Io(a,b,c);b.e&&(c.a+=')',c)};D_.Eo=function Eo(a,b,c){var d,e,f,g,h;f=true;h=E_.Yh(a.g,b).a;g=D_.To(a,h);while(g!=-1){d=D_.Pm(a.k,h,g);e=D_.Rm(a.k,h,g);g=D_.To(a,d);D_.Go(a,new D_.Wr(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};D_.Fo=function Fo(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&h2)!=0^c?2:1}};D_.Go=function Go(a,b,c){E_.Sh(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[D_.Nm(a.k,b.a,b.g)]=true)};D_.Ho=function Ho(a,b,c,d){var e,f,g,h,i;i=C_.t_(d.a).length;a.f[b]!=0&&z_.oT(d,a.f[b]==1?47:92);if(a.j==1){f=D_.ck(a.k,127);if(f!=0){(f&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((f&2)!=0){C_.t_(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((f&4)!=0){C_.t_(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((f&8)!=0){C_.t_(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&16)!=0){C_.t_(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&64)!=0){C_.t_(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((f&32)!=0){C_.t_(d.a).length!=i&&(d.a+=',',d);z_.sT(d,D_.Ek(a.k,c)?'<-':'->')}}}if(i==C_.t_(d.a).length&&(!D_.En(a.k,b)||(a.j&4)!=0)){e=D_.dk(a.k,b)&127;e==1?D_.Dn(a.k,D_.Uj(a.k,0,b))&&D_.Dn(a.k,D_.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&&z_.sT(d,D_.Ek(a.k,c)?'<-':'->')}if(a.j==1){g=i==C_.t_(d.a).length?'':';';h=D_.ck(a.k,b)&384;h==256?(d.a+=g+'@',d):h==128&&(d.a+=g+'!@',d)}};D_.Io=function Io(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<D_.Qm(a.k,b.a);f++){if(b.c[e]==D_.Pm(a.k,b.a,f)){d=D_.Rm(a.k,b.a,f);b.d[e]||D_.Ho(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);z_.pT(c,a.e[d])}}}}};D_.Jo=function Jo(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 E_.ki;for(r=new 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81
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83
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c,d,e,f,g,h,i,j;for(e=0;e<a.g.e;e++){if((D_.ck(a.g,e)&S1)!=0){f=D_.bk(a.g,e);if(f==0)continue;c=D_.Uj(a.g,0,e);d=D_.Uj(a.g,1,e);if(a.f==null||b==-1&&a.f[c]==-1&&a.f[d]==-1||b!=-1&&(a.f[c]==b||a.f[d]==b)){g=a.F[c];h=a.F[d];i=D_.Nm(a.G,g,h);j=D_.bk(a.G,i);if(j==0){D_.Sn(a.G,i)&&(j=D_.Qq(a,i));if(j==0)continue}if(f==3)continue;if(j==3)continue;if(D_.Zq(a,e)==(f==j))return false}}}return true};D_.Tq=function Tq(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p;g=0;for(i=0;i<a.g.d;i++){if((a.f==null||a.f[i]==b)&&KP(pP(D_.Kj(a.g,i),x1),0)){m=a.F[i];l=D_.Jj(a.g,i);o=D_.Jj(a.G,m);if(l==0)continue;if(l==3)continue;if(o==0||o==3)return false;if(D_.Dj(a.g,i)==1){++g;continue}if(D_.Dj(a.G,m)==1)return false;if(D_.Dj(a.g,i)==2){++g;continue}if(D_.Dj(a.G,m)==2)return false;if(D_.cr(a,i)==(l==o))return false}}if(g!=0){e=AK(y_.UL,v0,5,g,15,1);f=0;for(j=0;j<a.g.d;j++){if((a.f==null||a.f[j]==b)&&KP(pP(D_.Kj(a.g,j),x1),0)){l=D_.Jj(a.g,j);l!=0&&l!=3&&(e[f++]=D_.Cj(a.g,j)<<24|D_.Dj(a.g,j)<<22|j)}}C_.T$(e,C_.t_(gQ(E_.xY.prototype.$b,E_.xY,[])));f=0;while(f<e.length){k=e[f]&e2;n=a.F[k];c=e[f]&-4194304;d=D_.cr(a,k)^D_.Jj(a.g,k)==D_.Jj(a.G,n);for(++f;f<e.length&&(e[f]&-4194304)==c;f++){h=e[f]&e2;m=a.F[h];if(D_.Dj(a.G,m)!=D_.Dj(a.G,n)||D_.Cj(a.G,m)!=D_.Cj(a.G,n))return false;p=D_.cr(a,h)^D_.Jj(a.g,h)==D_.Jj(a.G,m);if(p!=d)return false}}}return true};D_.Uq=function Uq(a,b,c){var d,e,f,g,h,i,j;a.O=false;a.D=new E_.ki;a.a=new E_.ki;E_.aZ(a.N.a);if(!a.G||!a.g)return 0;if(a.g.d-a.o>a.G.d||a.g.e-a.p>a.G.e)return 0;if(a.g.d==0)return 0;b==6&&(a.M=63);D_.gr(a,c);d=AK(y_.iP,P0,5,a.G.d,16,1);a.F=AK(y_.UL,v0,5,a.g.d,15,1);E_.cY(a.F);h=AK(y_.UL,v0,5,a.w,15,1);E_.fY(h,h.length,-1);f=0;while(!a.O){if(a.v!=0){j=a.t[f]==-1?a.G.d:D_.Cm(a.G,a.F[a.t[f]]);++h[f];if(h[f]==j){h[f]=-1;if(f==0)break;--f;a.s[f]||(d[a.F[a.r[f]]]=false);continue}if(a.t[f]==-1){if(!d[h[f]]){if(D_.Mq(a,h[f],a.r[f])){a.F[a.r[f]]=h[f];d[h[f]]=true;++f}}}else{if(D_.Pm(a.G,a.F[a.t[f]],h[f])>=a.G.d)continue;e=D_.Pm(a.G,a.F[a.t[f]],h[f]);if(a.s[f]){e==a.F[a.r[f]]&&D_.Nq(a,D_.Rm(a.G,a.F[a.t[f]],h[f]),a.u[f])&&++f}else{if(!d[e]){if(D_.Mq(a,e,a.r[f])&&D_.Nq(a,D_.Rm(a.G,a.F[a.t[f]],h[f]),a.u[f])){d[e]=true;a.F[a.r[f]]=e;++f}}}}}if(f==a.v){if(D_.Tq(a,-1)&&D_.Sq(a,-1)&&D_.Rq(a,d,-1)){i=false;for(g=0;g<a.d;g++){if(D_.$q(a,d,h,g)){i=true;break}}if(b==1&&!i)return 1;if(!i){D_.Lq(a,b);if(b==2)return 1}}if(f==0)break;--f;a.s[f]||(d[a.F[a.r[f]]]=false)}}return a.D.a.length};D_.Vq=function Vq(a,b){var c,d,e,f,g,h,i,j;i=0;if(a.I){b<a.d&&D_.Aq(a.n,b)?(i=MP(i,y2)):b<a.d&&D_.uq(a.n,b)&&(i=MP(i,2));j=(e=a.s[b]&3072,e==0?0:e==a1?2:e==y1?3:4);if(j!=0){i=MP(i,8);j>2&&(i=MP(i,16));j>3&&(i=MP(i,32))}c=a.q[b];c<0?(i=MP(i,e1)):c>0&&(i=MP(i,d1));g=a.g[b];switch(g){case 0:break;case 1:i=MP(i,Q1);break;case 2:i=MP(i,i1);break;case 3:i=MP(i,j1);break;default:i=MP(i,k1);}d=D_.Fm(a,b);switch(d){case 0:break;case 1:i=MP(i,r1);break;case 2:i=MP(i,s1);break;case 3:i=MP(i,t1);break;default:i=MP(i,u1);}h=a.k[b];h>0&&(i=MP(i,W0));h>1&&(i=MP(i,b2))}else{b<a.d&&D_.Aq(a.n,b)?(i=MP(i,y2)):b<a.d&&D_.uq(a.n,b)?(i=MP(i,2)):(i=MP(i,4));(a.s[b]&a2)!=0?(i=MP(i,Y0)):(i=MP(i,Z0));j=(e=a.s[b]&3072,e==0?0:e==a1?2:e==y1?3:4);j==0?(i=MP(i,112)):j==2?(i=MP(i,104)):j==3?(i=MP(i,88)):(i=MP(i,56));c=a.q[b];c==0?(i=MP(i,c1)):c<0?(i=MP(i,e1)):c>0&&(i=MP(i,d1));f=a.c[b]-D_.fn(a,b)+D_.bn(a,b);switch(f){case 0:i=MP(i,1792);break;case 1:i=MP(i,1664);break;case 2:i=MP(i,1408);break;default:i=MP(i,896);}g=a.g[b];switch(g){case 0:i=MP(i,3932160);break;case 1:i=MP(i,3801088);break;case 2:i=MP(i,3538944);break;case 3:i=MP(i,3014656);break;default:i=MP(i,k1);}d=D_.Fm(a,b);switch(d){case 0:i=MP(i,m1);break;case 1:i=MP(i,n1);break;case 2:i=MP(i,o1);break;case 3:i=MP(i,p1);break;default:i=MP(i,u1);}h=a.k[b];switch(h){case 0:i=MP(i,98304);break;case 1:i=MP(i,81920);break;default:i=MP(i,49152);}}return i};D_.Wq=function Wq(a,b){var c;c=0;if(b<a.e&&(D_.zq(a.n,b)||a.F[b]==64)||a.F[b]==64)c|=8;else switch(D_.ak(a,b)){case 4:case 0:c|=32;break;case 1:c|=1;break;case 2:c|=2;break;case 3:c|=4;break;case 5:c|=64;}(a.C[b]&64)!=0?(c|=256):a.I||(c|=128);b<a.e&&D_.vq(a.n,b)?(c|=h1):a.I||(c|=z2);return c};D_.Xq=function Xq(a){var b,c,d,e,f,g,h,i,j,k;i=0;for(d=a,f=0,h=d.length;f<h;++f){b=d[f];b==-1&&++i}if(i!=0){k=a;a=AK(y_.UL,v0,5,k.length-i,15,1);j=0;for(c=k,e=0,g=c.length;e<g;++e){b=c[e];b!=-1&&(a[j++]=b)}}C_.T$(a,C_.t_(gQ(E_.xY.prototype.$b,E_.xY,[])));return a};D_.Yq=function Yq(a,b){var c,d,e,f,g,h,i,j;g=0;for(d=b,e=0,f=d.length;e<f;++e){c=d[e];c==-1&&++g}j=AK(y_.UL,v0,5,b.length-g,15,1);i=0;for(h=0;h<b.length;h++){if(b[h]!=-1){j[i]=D_.Os(a.g,h)<<16|D_.Os(a.G,b[h]);++i}}C_.T$(j,C_.t_(gQ(E_.xY.prototype.$b,E_.xY,[])));return j};D_.Zq=function Zq(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;f=false;for(e=0;e<2;e++){c=D_.Uj(a.g,e,b);k=a.F[c];if(D_.Qm(a.G,k)>2){m=D_.Uj(a.g,1-e,b);i=f0;for(h=0;h<D_.Qm(a.g,c);h++){d=D_.Pm(a.g,c,h);d!=m&&i>d&&(i=d)}n=a.F[m];j=f0;for(g=0;g<D_.Qm(a.G,k);g++){l=D_.Pm(a.G,k,g);l!=n&&j>l&&(j=l)}a.F[i]!=j&&(f=!f)}}return f};D_.$q=function $q(a,b,c,d){var 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:D_.Cm(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(D_.Mq(a,c[g],a.r[g])){a.F[a.r[g]]=c[g];b[c[g]]=true;++g}}}else{if(D_.Pm(a.G,a.F[a.t[g]],c[g])>=a.G.d){++c[g];continue}f=D_.Pm(a.G,a.F[a.t[g]],c[g]);if(a.s[g]){f==a.F[a.r[g]]&&D_.Nq(a,D_.Rm(a.G,a.F[a.t[g]],c[g]),a.u[g])&&++g}else{if(!b[f]){if(D_.Mq(a,f,a.r[g])&&D_.Nq(a,D_.Rm(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(D_.Tq(a,d)&&D_.Sq(a,d)&&D_.Rq(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};D_._q=function _q(a){return D_.Uq(a,1,a.c)>0};D_.ar=function ar(a,b){var c;for(c=0;c<b.length;c++)if(b[c]==a)return true;return false};D_.br=function br(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;D_.Ds(a.g,1);a.M=7;for(d=0;d<a.g.d;d++)KP(pP(D_.Kj(a.g,d),{l:x1,m:0,h:3}),0)&&(a.M=15);for(g=0;g<a.g.e;g++)(D_.ck(a.g,g)&S1)!=0&&(a.M=15);a.K&&a.M!=7&&D_.Ds(a.G,a.M);a.o=0;a.p=0;a.C=AK(y_.iP,P0,5,a.g.d,16,1);for(e=0;e<a.g.d;e++){a.C[e]=KP(pP(D_.Kj(a.g,e),Q0),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[D_.Uj(a.g,0,f)]||a.C[D_.Uj(a.g,1,f)])&&++a.p;for(c=0;c<a.g.o;c++)D_.kl(a.g,c,a.C[c]);a.f=AK(y_.UL,v0,5,a.g.o,15,1);a.d=D_.Ym(a.g,a.f,true,false)}};D_.fr=function fr(a,b){if(!b||b.o==0){a.G=null;return}a.G=b;a.K=false;D_.Ds(a.G,1)};D_.gr=function gr(a,b){if(!a.K){D_.jr(a,b);a.K=true}if(!a.q){D_.hr(a,b);D_.Pq(a);D_.Oq(a);a.q=true}};D_.hr=function hr(a,b){var c,d,e,f,g,h,i,j,k,l;f=null;i=null;g=null;D_.Ds(a.g,a.M);a.n=AK(y_.UL,v0,5,a.g.d,15,1);for(d=0;d<a.g.d;d++)a.n[d]=D_.Qm(a.g,d);if(a.o!=0){j=new 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D_.fs=function fs(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;a.i=b;D_.gj(a.i);!!a.n&&z_.MQ(a.n,0);a.b=0;i=a.k!=0;eb=null;p=AK(y_.UL,v0,5,32,15,1);p[0]=-1;kb=AK(y_.UL,v0,5,16,15,1);nb=AK(y_.UL,v0,5,16,15,1);mb=AK(y_.UL,v0,5,16,15,1);lb=AK(y_.UL,v0,5,16,15,1);for(L=0;L<16;L++)kb[L]=-1;m=0;G=-1;qb=false;O=false;pb=false;t=0;s=1;r=0;l=new M_.RH;fb=new D_.ws(c);while(c[d]<=32)++d;while(d<e){sb=c[d++]&o0;if(iR(sb)||sb==42||sb==63||sb==33&&i&&qb||sb==35&&i&&qb){o=-1;v=0;V=0;h=-1;D=-1;db=false;N=false;n=0;if(qb){if(sb==42){o=6;n=TP(MP(y_.xP(n),1))}else if(sb==63){o=0}else if(sb==35){Y=0;while(d<e&&hR(c[d]&o0)){Y=10*Y+c[d]-48;++d}if(Y<1||Y>=(D_.Ri(),D_.Li).length)throw nP(new z_.qI('SmilesParser: Atomic number out of range.'));o=Y}else{P=sb==33;if(P){pb=true;n=TP(MP(y_.xP(n),1));++d}if(c[d-1]==82&&i&&(hR(c[d]&o0)||a.a&&c[d]==123)){o=6;n=TP(MP(y_.xP(n),1));--d;P&&--d}else{Q=lR(c[d]&o0)==(c[d]&o0)&&iR(c[d]&o0)?2:1;o=(D_.Ri(),D_.gm(z_.gT(C_.Y$(c,d-1,(S=Q,C_.V$(),S))),321));if(o==-1){o=6;n=TP(MP(y_.xP(n),1));--d}else{d+=Q-1;D=9;if(i&&(c[d]==44||P)){tb=false;U=false;rb=d-Q;for(ab=rb;ab<c.length;ab++){if(!iR(c[ab]&o0)){X=D_.gm(z_.gT(C_.Y$(c,rb,(R=ab-rb,R))),321);if(X!=0){M_.PH(l,z_.xS(X));mR(c[rb]&o0)==(c[rb]&o0)&&iR(c[rb]&o0)?(tb=true):(U=true)}rb=ab+1;if(c[ab]!=44)break;if(c[ab+1]==33){if(!P)throw nP(new z_.qI("SmilesParser: inconsistent '!' in atom list."));++ab;++rb}}}if(l.a.a.length>1){D=-1;tb?U||(n=TP(MP(y_.xP(n),4))):(n=TP(MP(y_.xP(n),2)))}d=rb-1}}}}while(qb){if(c[d]==64){++d;if(c[d]==64){N=true;++d}db=true;continue}if(c[d]==58){++d;while(hR(c[d]&o0)){V=10*V+c[d]-48;++d}continue}if(c[d]==91)throw nP(new z_.qI('SmilesParser: nested square brackets found'));if(c[d]==93){++d;qb=false;continue}if(c[d]==43){v=1;++d;while(c[d]==43){++v;++d}if(v==1&&hR(c[d]&o0)){v=c[d]-48;++d}v==0&&(n=TP(MP(y_.xP(n),c1)));continue}if(c[d]==45){v=-1;++d;while(c[d]==45){--v;++d}if(v==-1&&hR(c[d]&o0)){v=48-c[d];++d}v==0&&(n=TP(MP(y_.xP(n),c1)));continue}P=c[d]==33;P&&++d;if(c[d]==72){++d;d+=D_.ts(fb,c,d,1);D=fb.c;F=0;fb.c<=0&&fb.b>=0&&(F=TP(MP(y_.xP(F),128)));fb.c<=1&&fb.b>=1&&(F=TP(MP(y_.xP(F),256)));fb.c<=2&&fb.b>=2&&(F=TP(MP(y_.xP(F),512)));fb.c<=3&&fb.b>=3&&(F=TP(MP(y_.xP(F),a1)));if(P){n|=F;D=-1}else{if(fb.b==fb.c){D=fb.c}else{n=TP(MP(y_.xP(n),pP(_0,y_.xP(~F))));D=-1}}continue}if(c[d]==68){++d;d+=D_.ts(fb,c,d,1);F=0;fb.c<=0&&fb.b>=0&&(F=MP(F,Q1));fb.c<=1&&fb.b>=1&&(F=MP(F,G1));fb.c<=2&&fb.b>=2&&(F=MP(F,F1));fb.c<=3&&fb.b>=3&&(F=MP(F,S1));fb.c<=4&&fb.b>=4&&(F=MP(F,h1));if(uP(F,0)!=0){P||(F=VP(F,g1));n=TP(MP(y_.xP(n),F))}continue}if(c[d]==122&&a.a){++d;d+=D_.ts(fb,c,d,4);F=0;fb.c<=0&&fb.b>=0&&(F=MP(F,r1));fb.c<=1&&fb.b>=1&&(F=MP(F,1099511627776));fb.c<=2&&fb.b>=2&&(F=MP(F,2199023255552));fb.c<=3&&fb.b>=3&&(F=MP(F,4398046511104));fb.c<=4&&fb.b>=4&&(F=MP(F,q1));if(uP(F,0)!=0){P||(F=VP(F,l1));n=TP(MP(y_.xP(n),F))}continue}if(c[d]==88){++d;d+=D_.ts(fb,c,d,1);zb=(D_.Ri(),D_.Mi)[o];if(zb==null)continue;vb=zb[0];F=0;vb-fb.c<=0&&vb-fb.b>=0&&(F=MP(F,W0));vb-fb.c<=1&&vb-fb.b>=1&&(F=MP(F,b2));vb-fb.c<=2&&vb-fb.b>=2&&(F=MP(F,n0));if(uP(F,0)!=0){P||(F=VP(F,f1));n=TP(MP(y_.xP(n),F))}continue}if(c[d]==65||c[d]==97){++d;n=TP(MP(y_.xP(n),P^c[d]==65?4:2));continue}if(c[d]==82){++d;d+=D_.ts(fb,c,d,3);F=0;fb.c<=0&&fb.b>=0&&(F=MP(F,8));fb.c<=1&&fb.b>=1&&(F=MP(F,16));fb.c<=2&&fb.b>=2&&(F=MP(F,32));fb.c<=3&&fb.b>=3&&(F=MP(F,64));fb.b>3&&D_.ls(a,(P?'!R':'R')+fb.b);if(uP(F,0)!=0){P||(F=VP(F,120));n=TP(MP(y_.xP(n),F))}continue}if(c[d]==114){++d;d+=D_.ts(fb,c,d,1);if(fb.a){P?(n=TP(MP(y_.xP(n),384))):(n=TP(MP(y_.xP(n),8)));continue}ob=fb.c;fb.b>fb.c&&D_.ls(a,(P?'!r':'r')+('{'+fb.c+'-'+fb.b+'}'));!P&&ob>=3&&ob<=7?(n|=ob<<22):fb.b>fb.c||D_.ls(a,(P?'!r':'r')+ob);continue}if(c[d]==118){++d;d+=D_.ts(fb,c,d,1);vb=fb.c;fb.b>fb.c&&D_.ls(a,(P?'!v':'v')+('{'+fb.c+'-'+fb.b+'}'));!P&&vb<=14?(h=vb):fb.b>fb.c||D_.ls(a,(P?'!v':'v')+vb);continue}if(i&&(c[d]==59||c[d]==38)){pb=true;++d;continue}throw nP(new z_.qI("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&o0)+"'"))}}else if(sb==42){o=6;n=TP(MP(y_.xP(n),1))}else if(sb==63){o=0}else if((sb==65||sb==97)&&i){o=6;n=TP(MP(y_.xP(n),1));n=TP(MP(y_.xP(n),sb==65?4:2));pb=true}else{switch(mR(sb)){case 66:if(d<e&&c[d]==114){o=35;++d}else o=5;break;case 67:if(d<e&&c[d]==108){o=17;++d}else o=6;break;case 70:o=9;break;case 73:o=53;break;case 78:o=7;break;case 79:o=8;break;case 80:o=15;break;case 83:o=16;}}if(o==-1&&sb!=63)throw nP(new z_.qI('SmilesParser: unknown element label found'));k=D_.Ti(a.i,o);D_.bl(a.i,k,v);D_.jl(a.i,k,V,false);D_._k(a.i,k,h);if(n!=0){pb=true;if(KP(pP(y_.xP(n),2),0)){n=TP(pP(y_.xP(n),-3));D_.kl(a.i,k,true);++a.b}else{D_.kl(a.i,k,false)}D_.nl(a.i,k,y_.xP(n),true)}if(l.a.a.length!=0){pb=true;T=AK(y_.UL,v0,5,l.a.a.length,15,1);for(K=0;K<l.a.a.length;K++)T[K]=(K<0?null:E_.Yh(l.a,K)).a;D_.hl(a.i,k,T);C_.t_(l.a.a).length=0}else{if(lR(sb)==sb&&iR(sb)){if(o!=5&&o!=6&&o!=7&&o!=8&&o!=15&&o!=16&&o!=33&&o!=34)throw nP(new z_.qI('SmilesParser: atomicNo '+o+' must not be aromatic'));D_.kl(a.i,k,true);++a.b}else{D_.kl(a.i,k,false)}}if(D!=-1&&o!=1){u=AK(y_.QL,P1,5,1,15,1);u[0]=(D==9?0:D)<<24>>24;D_.fl(a.i,k,u)}G=p[t];if(p[t]!=-1&&s!=512){q=D_.Vi(a.i,p[t],k,s);if(r!=0){pb=true;D_.Dl(a.i,q,r,true)}}s=1;r=0;p[t]=k;if(m!=0){D_.ll(a.i,k,m);m=0}if(g){bb=!eb?null:E_.sX(eb,z_.xS(G));!!bb&&D_.ps(bb,k,d);if(db){!eb&&(eb=new E_.pZ);J=D==9?0:D;E_.hZ(eb,z_.xS(k),new D_.ss(k,d-2,G,J,N))}}continue}if(sb==46){p[t]=-1;s=512;continue}if(sb==45||sb==61||sb==35||sb==36||sb==58||sb==47||sb==92||sb==60||sb==126||sb==33||sb==64){if(qb)throw nP(new z_.qI("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(sb)+"'"));B=0;while(sb==45||sb==61||sb==35||sb==36||sb==58||sb==47||sb==92||sb==60||sb==126||sb==33||sb==64){if(sb==33){sb=c[d++]&o0;sb==64&&(r|=128);if(sb==45&&c[d]==62||sb==60&&c[d]==45){B|=32;++d}else if(sb==45)B|=1;else if(sb==61)B|=2;else if(sb==35)B|=4;else if(sb==36)B|=32;else if(sb==58)B|=8;else throw nP(new z_.qI("SmilesParser: bond symbol '"+String.fromCharCode(sb)+"' not allowed after '!'."))}else{if(sb==64)r|=256;else if(sb==61)s=2;else if(sb==35)s=4;else if(sb==36)s=8;else if(sb==58)s=64;else if(sb==126)r|=31;else if(sb==47){g&&(s=257)}else if(sb==92){g&&(s=129)}else if(sb==45&&c[d]==62||sb==60&&c[d]==45){s=32;++d}if(c[d]==44){r|=(s==32?62:sb)==61?2:(s==32?62:sb)==35?4:(s==32?62:sb)==36?32:(s==32?62:sb)==58?8:(s==32?62:sb)==62?16:(s==32?62:sb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){r|=16;d+=3}else{r|=D_.bs(c[d+1]&o0);d+=2}}}}if(c[d]==59){++d;sb=c[d++]&o0;continue}B!=0&&(r|=31&~B);break}continue}if(sb<=32){d=e;continue}if(hR(sb)){Y=sb-48;if(qb){while(d<e&&hR(c[d]&o0)){Y=10*Y+c[d]-48;++d}m=Y}else{I=c[d-2]==45||c[d-2]==47||c[d-2]==92||c[d-2]==61||c[d-2]==35||c[d-2]==36||c[d-2]==58||c[d-2]==62||c[d-2]==126;if(O&&d<e&&hR(c[d]&o0)){Y=10*Y+c[d]-48;O=false;++d}if(Y>=kb.length){if(Y>=100)throw nP(new z_.qI('SmilesParser: ringClosureAtom number out of range'));Z=kb.length;W=kb.length;while(W<=Y)W=$wnd.Math.min(100,W+16);kb=(C_.h_(W),E_.aY(kb,AK(y_.UL,v0,5,W,15,1),W));nb=(C_.h_(W),E_.aY(nb,AK(y_.UL,v0,5,W,15,1),W));mb=(C_.h_(W),E_.aY(mb,AK(y_.UL,v0,5,W,15,1),W));lb=(C_.h_(W),E_.aY(lb,AK(y_.UL,v0,5,W,15,1),W));for(K=Z;K<W;K++)kb[K]=-1}if(kb[Y]==-1){kb[Y]=p[t];nb[Y]=d-1;mb[Y]=I?s:-1;lb[Y]=I?r:0}else{if(kb[Y]==p[t])throw nP(new z_.qI('SmilesParser: ring closure to same atom'));if(g&&!!eb){bb=E_.sX(eb,z_.xS(kb[Y]));!!bb&&D_.ps(bb,p[t],nb[Y]);bb=E_.sX(eb,z_.xS(p[t]));!!bb&&D_.ps(bb,kb[Y],d-1)}mb[Y]!=-1?(s=mb[Y]):s==257?(s=129):s==129&&(s=257);q=D_.Vi(a.i,kb[Y],p[t],s);lb[Y]!=0&&(r=lb[Y]);if(r!=0){pb=true;D_.Dl(a.i,q,lb[Y],true)}kb[Y]=-1}s=1;r=0}continue}if(sb==43){throw nP(new z_.qI("SmilesParser: '+' found outside brackets"))}if(sb==40){if(p[t]==-1)throw nP(new z_.qI('Smiles with leading parenthesis are not supported'));++t;p.length==t&&(p=E_._X(p,p.length+32));p[t]=p[t-1];continue}if(sb==41){--t;continue}if(sb==91){qb=true;continue}if(sb==93){throw nP(new z_.qI('SmilesParser: closing bracket at unexpected position'))}if(sb==37){O=true;continue}throw nP(new z_.qI("SmilesParser: unexpected character outside brackets: '"+String.fromCharCode(sb)+"'"))}if(s!=1)throw nP(new z_.qI('SmilesParser: dangling open bond'));for(hb=kb,ib=0,jb=hb.length;ib<jb;++ib){gb=hb[ib];if(gb!=-1)throw nP(new z_.qI('SmilesParser: dangling ring closure'))}H=D_._m(a.i);D_.Il(a.i,true);D_.Ds(a.i,1);for(j=0;j<a.i.o;j++){if(D_.Aj(a.i,j)!=null){C=D_.Bj(a.i,j)[0];if(a.g){for(K=0;K<C;K++)D_.Vi(a.i,j,D_.Ti(a.i,1),1)}else if(pb||a.k==2){C==0&&D_.nl(a.i,j,1792,true);C==1&&D_.nl(a.i,j,1664,true);C==2&&D_.nl(a.i,j,1408,true);C==3&&D_.nl(a.i,j,896,true)}else{if(!D_.Ek(a.i,j)&&(!D_.Dk(a.i,j)||D_.Pj(a.i,j)==6&&D_.yj(a.i,j)==0)){zb=D_.dm(D_.Pj(a.i,j));w=false;ub=D_.gn(a.i,j);ub-=D_.hk(a.i,j,ub);ub+=C;D_.Dk(a.i,j)&&++ub;for(wb=zb,xb=0,yb=wb.length;xb<yb;++xb){vb=wb[xb];if(ub<=vb){w=true;vb==ub+2?D_.ol(a.i,j,48):vb==ub+1?D_.ol(a.i,j,32):(vb!=ub||vb!=zb[0])&&D_._k(a.i,j,ub);break}}w||D_._k(a.i,j,ub)}if(!D_.go(a.i,j)){for(K=0;K<C;K++)D_.Vi(a.i,j,D_.Ti(a.i,1),1)}}}else if(!a.g&&(pb||a.k==2)){C=D_.Um(a.i,j);C>=1&&D_.nl(a.i,j,128,true);C>=2&&D_.nl(a.i,j,256,true);C>=3&&D_.nl(a.i,j,512,true);C>=4&&D_.nl(a.i,j,a1,true)}}!a.g&&(pb||a.k==2)&&D_.Zn(a.i,true);D_.Ds(a.i,1);D_.ds(a);D_.es(a,i);a.i.r=null;D_.Il(a.i,false);if(g){D_.as(a);if(eb){for(cb=($=new E_.zZ((new E_.EZ((new E_.XW(eb)).a)).b),new E_.cX($));E_.ZV(cb.a.a);){bb=(A=E_.xZ(cb.a),A.Zb());D_.ml(a.i,bb.a,D_.qs(bb,H),false)}D_.ao(a.i,0)}}D_.ao(a.i,0);if(f){M=new G_.zu(a.d);KP(a.j,0)&&G_.vu(M,a.j);G_.gu(M,a.i);g&&D_.Qs(a.i)}(pb||a.k==2)&&D_.Gl(a.i,true)};D_.gs=function gs(a,b,c,d){D_.fs(a,b,c,0,c.length,false,d)};D_.hs=function hs(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;h=M_.DH(b,0);i=h==-1?-1:M_.DH(b,h+1);if(i==-1)throw nP(new z_.qI("Missing one or both separators ('>')."));if(M_.DH(b,i+1)!=-1)throw nP(new z_.qI("Found more than 2 separators ('>')."));n=new I_.mw;o=0;for(f=o;f<h-1;f++){if(b[f]==46&&b[f+1]==46){if(f>o){l=new D_.Us;D_.fs(a,l,b,o,f,true,true);E_.Th(n.g,l);n.d=-1}o=f+2}}m=new D_.Us;D_.fs(a,m,b,o,h,true,true);E_.Th(n.g,m);n.d=-1;if(i-h>1){o=h+1;for(g=o;g<i-1;g++){if(b[g]==46&&b[g+1]==46){if(g>o){c=new D_.Us;D_.fs(a,c,b,o,g,true,true);E_.Th(n.a,c)}o=g+2}}d=new D_.Us;D_.fs(a,d,b,o,i,true,true);E_.Th(n.a,d)}o=i+1;for(e=o;e<b.length-1;e++){if(b[e]==46&&b[e+1]==46){if(e>o){j=new D_.Us;D_.fs(a,j,b,o,e,true,true);E_.Th(n.f,j);n.d=-1}o=e+2}}k=new D_.Us;D_.fs(a,k,b,o,b.length,true,true);E_.Th(n.f,k);n.d=-1;return n};D_.is=function is(a,b){var 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1:{C=a.g[b];if(C==0){k=D_.Lm(a,true);n=0}else{k=I-D_.Mj(a,a.f[b][0]);n=J-D_.Nj(a,a.f[b][0])}if(C==1){t=D_.Si(a,I+F_.At*k+F_.Ft*n,J-F_.Ft*k+F_.At*n,0)}else if(C==2){k=I-0.5*(D_.Mj(a,a.f[b][0])+D_.Mj(a,a.f[b][1]));n=J-0.5*(D_.Nj(a,a.f[b][0])+D_.Nj(a,a.f[b][1]));t=D_.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=$wnd.Math.abs(D_.fm(D_.em(a.H[b].a,a.H[b].b,D_.Mj(a,a.f[b][0]),D_.Nj(a,a.f[b][0])),D_.em(a.H[b].a,a.H[b].b,D_.Mj(a,a.f[b][1]),D_.Nj(a,a.f[b][1]))));d=$wnd.Math.abs(D_.fm(D_.em(a.H[b].a,a.H[b].b,D_.Mj(a,a.f[b][0]),D_.Nj(a,a.f[b][0])),D_.em(a.H[b].a,a.H[b].b,D_.Mj(a,a.f[b][2]),D_.Nj(a,a.f[b][2]))));e=$wnd.Math.abs(D_.fm(D_.em(a.H[b].a,a.H[b].b,D_.Mj(a,a.f[b][1]),D_.Nj(a,a.f[b][1])),D_.em(a.H[b].a,a.H[b].b,D_.Mj(a,a.f[b][2]),D_.Nj(a,a.f[b][2]))));D=true;if(c>d&&c>e){if(d+e<U0){D=false;k=I-0.5*(D_.Mj(a,a.f[b][0])+D_.Mj(a,a.f[b][1]));n=J-0.5*(D_.Nj(a,a.f[b][0])+D_.Nj(a,a.f[b][1]))}}else if(d>c&&d>e){if(c+e<U0){D=false;k=I-0.5*(D_.Mj(a,a.f[b][0])+D_.Mj(a,a.f[b][2]));n=J-0.5*(D_.Nj(a,a.f[b][0])+D_.Nj(a,a.f[b][2]))}}else{if(c+d<U0){D=false;k=I-0.5*(D_.Mj(a,a.f[b][1])+D_.Mj(a,a.f[b][2]));n=J-0.5*(D_.Nj(a,a.f[b][1])+D_.Nj(a,a.f[b][2]))}}if(D){G=a.f[b][0];j=Z1;for(q=0;q<3;q++){f=a.f[b][q];if(f!=F){i=$wnd.Math.pow(a.H[b].a-a.H[f].a,2)+$wnd.Math.pow(a.H[b].b-a.H[f].b,2);if(i<j){G=f;j=i;z_.AT();String.fromCharCode(10)}}}t=D_.Si(a,(a.H[F].a+a.H[G].a)/2,(a.H[F].b+a.H[G].b)/2,0)}else{t=D_.Si(a,I+k,J+n,0)}}else{t=D_.Si(a,I+k,J+n,0)}D_.ul(a,t,1);D_.Vi(a,b,t,1)}break;case 2:B=a.g[b];if(B==1){k=I-D_.Mj(a,a.f[b][0]);n=J-D_.Nj(a,a.f[b][0]);t=D_.Si(a,I+(F_.Bt*k-F_.Gt*n)*0.7,J+(F_.Gt*k+F_.Bt*n)*0.7,0);D_.ul(a,t,1);D_.Vi(a,b,t,1);t=D_.Si(a,I+(F_.yt*k-F_.Dt*n)*0.7,J+(F_.Dt*k+F_.yt*n)*0.7,0);D_.ul(a,t,1);D_.Vi(a,b,t,1)}else if(B==2){l=I-D_.Mj(a,a.f[b][0]);o=J-D_.Nj(a,a.f[b][0]);m=I-D_.Mj(a,a.f[b][1]);p=J-D_.Nj(a,a.f[b][1]);v=$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=D_.sn(a,b);t=D_.Si(a,I+F_.xt*k-F_.Ct*n,J+F_.Ct*k+F_.xt*n,0);D_.ul(a,t,1);H>-1?D_.Vi(a,b,t,1):D_.Vi(a,b,t,257);t=D_.Si(a,I+F_.zt*k-F_.Et*n,J+F_.Et*k+F_.zt*n,0);D_.ul(a,t,1);D_.Vi(a,b,t,1)}else{for(s=0;s<A;s++){t=D_.Si(a,I,J,0);D_.ul(a,t,1);D_.Vi(a,b,t,1)}}break;case 3:{if(a.f[b][0]>0){k=(I-D_.Mj(a,a.f[b][0]))*0.7;n=(J-D_.Nj(a,a.f[b][0]))*0.7;t=D_.Si(a,I+k,J+n,0);D_.ul(a,t,1);D_.Vi(a,b,t,1);t=D_.Si(a,I-n,J+k,0);D_.ul(a,t,1);D_.Vi(a,b,t,1);t=D_.Si(a,I+n,J-k,0);D_.ul(a,t,1);D_.Vi(a,b,t,1)}else{k=D_.Lm(a,true);n=D_.Lm(a,true);t=D_.Si(a,I+k,J+n,0);D_.ul(a,t,1);D_.Vi(a,b,t,1);t=D_.Si(a,I-n*F_.Bt,J+k*F_.Gt,0);D_.ul(a,t,1);D_.Vi(a,b,t,1);t=D_.Si(a,I-n*F_.Bt,J-k*F_.Gt,0);D_.ul(a,t,1);D_.Vi(a,b,t,1)}}break;default:{for(s=0;s<A;s++){t=D_.Si(a,I,J,0);D_.ul(a,t,1);D_.Vi(a,b,t,1)}break}}};F_.Kt=function Kt(a){F_.Ht();var b,c;D_.Ds(a,1);c=0;for(b=0;b<a.o;b++){a.A[b]==1?++c:(c+=a.c[b]-a.g[b]+D_.bn(a,b))}return c};F_.xt=0;F_.yt=0;F_.zt=0;F_.At=0;F_.Bt=0;F_.Ct=0;F_.Dt=0;F_.Et=0;F_.Ft=0;F_.Gt=0;G_.Mt=function Mt(a,b,c){var d,e,f;f=b.length;d=new G_.rv(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?G_.Vt(d):G_.Tt(a,d,b,c);G_.Bu(a.d,d)};G_.Nt=function Nt(a,b,c,d,e){var f,g,h,i,j,k,l,m;g=AK(y_.UL,v0,5,e,15,1);for(f=0;f<a.f.o;f++){for(i=0;i<D_.Bm(a.f,f);i++){m=c[D_.Pm(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=D_.Bm(a.f,f);D_.fg(b[f],f);D_.cg(b[f],d,y_.xP(c[f]));D_.cg(b[f],(e-l)*(d+1),0);for(h=0;h<l;h++)D_.cg(b[f],d+1,y_.xP(g[h]))}};G_.Ot=function Ot(a){var b,c,d,e,f,g,h,i,j,k,l;d=D_.Rf(a.f.d);i=2;for(c=0;c<a.f.d;c++)i=$wnd.Math.max(i,D_.Bm(a.f,c));f=(62+2*d+i*(d+1))/63|0;e=AK(y_.dM,N1,72,a.f.o,0,1);for(b=0;b<a.f.o;b++){e[b]=new D_.gg(f);D_.fg(e[b],b)}l=AK(y_.UL,v0,5,a.f.o,15,1);for(g=0;g<a.f.e;g++){h=D_.bk(a.f,g);if(h==1||h==2){D_.dg(e[D_.Uj(a.f,0,g)],y_.xP(h));D_.dg(e[D_.Uj(a.f,1,g)],y_.xP(h))}}j=G_.Pt(e,l);do{k=j;G_.Nt(a,e,l,d,i);j=G_.Pt(e,l)}while(k!=j);return l};G_.Pt=function Pt(a,b){var c,d;d=0;E_.lY(a,0,a.length,null);for(c=0;c<a.length;c++){(c==0||D_.eg(a[c],a[c-1])!=0)&&++d;b[a[c].a]=d}return d};G_.Qt=function Qt(a){var b,c,d,e,f,g,h,i,j,k,l,m;for(i=0;i<a.d.a.length;i++){h=E_.Yh(a.d,i);for(j=0;j<h.f.length;j++){d=h.f[j];if(D_.ak(a.f,d)==2){!D_.Sn(a.f,d)&&(D_.bk(a.f,d)==3||D_.bk(a.f,d)==0)&&D_.Cl(a.f,d);if(!D_.Pn(a.f,d)&&D_.Qm(a.f,D_.Uj(a.f,0,d))>1&&D_.Qm(a.f,D_.Uj(a.f,1,d))>1&&(D_.bk(a.f,d)==1||D_.bk(a.f,d)==2)){m=AK(y_.UL,v0,5,2,15,1);e=AK(y_.UL,v0,5,2,15,1);for(k=0;k<2;k++){m[k]=a.f.K;e[k]=D_.Uj(a.f,k,d);for(l=0;l<D_.Bm(a.f,e[k]);l++){f=D_.Pm(a.f,e[k],l);f!=D_.Uj(a.f,1-k,d)&&m[k]>f&&(m[k]=f)}}g=G_.Xu(h.a[h.g[e[0]]],h.b[h.g[e[0]]],h.a[h.g[e[1]]],h.b[h.g[e[1]]]);b=G_.Xu(h.a[h.g[m[0]]],h.b[h.g[m[0]]],h.a[h.g[e[0]]],h.b[h.g[e[0]]]);c=G_.Xu(h.a[h.g[e[1]]],h.b[h.g[e[1]]],h.a[h.g[m[1]]],h.b[h.g[m[1]]]);G_.Xt(g,b)<0^G_.Xt(g,c)<0^D_.bk(a.f,d)==2&&G_.fv(h,d)}}}}};G_.Rt=function Rt(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;m=new E_.ki;r=new E_.ki;d=new E_.ki;for(f=new E_.VX(a.d);f.a<f.c.a.length;){e=E_.UX(f);g=0;C_.t_(d.a).length=0;for(h=0;h<e.e.length;h++){b=e.e[h];c=a.i[b];if(c!=0){E_.Th(d,new G_.Zu(e,h,c));g+=c}}if(g!=0){E_.hi(d,new G_.Gu);for(j=new E_.VX(d);j.a<j.c.a.length;){i=E_.UX(j);if(g*i.b>0){c=$wnd.Math.abs(g)>=$wnd.Math.abs(i.b)?i.b:g;g-=c;E_.Th(c<0?m:r,new G_.Zu(e,i.a,c));if(g==0)break}}}}if(m.a.length==0||r.a.length==0)return null;E_.hi(r,new G_.Ku);E_.hi(m,new G_.Ou);for(p=new E_.VX(r);p.a<p.c.a.length;){n=E_.UX(p);for(l=new E_.VX(m);l.a<l.c.a.length;){k=E_.UX(l);if(n.b==-k.b){a.i[G_.jv(n.c,n.a)]-=n.b;a.i[G_.jv(k.c,k.a)]-=k.b;return new G_.Uu(n.c,k.c,n.a,k.a)}}}for(q=new E_.VX(r);q.a<q.c.a.length;){n=E_.UX(q);for(l=new E_.VX(m);l.a<l.c.a.length;){k=E_.UX(l);if(n.b>-k.b){a.i[G_.jv(n.c,n.a)]+=k.b;a.i[G_.jv(k.c,k.a)]-=k.b;return new G_.Uu(n.c,k.c,n.a,k.a)}}}for(o=new E_.VX(r);o.a<o.c.a.length;){n=E_.UX(o);for(l=new E_.VX(m);l.a<l.c.a.length;){k=E_.UX(l);if(n.b<-k.b){a.i[G_.jv(n.c,n.a)]-=n.b;a.i[G_.jv(k.c,k.a)]+=n.b;return new G_.Uu(n.c,k.c,n.a,k.a)}}}return null};G_.St=function St(a){if(a.d.a.length<2)return null;return new G_.Tu(E_.Yh(a.d,0),E_.Yh(a.d,1))};
|
|
86
|
-
G_.Tt=function Tt(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=IK(uK(y_.SL,2),a0,15,0,[IK(uK(y_.SL,1),z1,5,15,[20]),null,null,IK(uK(y_.SL,1),z1,5,15,[0,10]),null,null,IK(uK(y_.SL,1),z1,5,15,[-4,12]),IK(uK(y_.SL,1),z1,5,15,[0,0,-7.5]),null,null,null,null,IK(uK(y_.SL,1),z1,5,15,[8,-8]),null,null,null,IK(uK(y_.SL,1),z1,5,15,[-2.4])]);l=IK(uK(y_.UL,2),M1,6,0,[IK(uK(y_.UL,1),v0,5,15,[146]),IK(uK(y_.UL,1),v0,5,15,[627]),null,IK(uK(y_.UL,1),v0,5,15,[2457,1170]),null,IK(uK(y_.UL,1),v0,5,15,[2451,8643,2519]),IK(uK(y_.UL,1),v0,5,15,[9362,14798]),IK(uK(y_.UL,1),v0,5,15,[34377,-2147448999,26214]),null,IK(uK(y_.UL,1),v0,5,15,[37449,137313,95703,34371,37815,54891,132867,-2147309741,54857,55129,-2147449005,-2147449065]),null,IK(uK(y_.UL,1),v0,5,15,[530697,531819,899169,137289,694617,-2146951863,-2146952797,-2146939175,-2146929547,-2146929564,-2146625111,-2146931799,-2146940503,-2146931935]),IK(uK(y_.UL,1),v0,5,15,[1007293,610915]),IK(uK(y_.UL,1),v0,5,15,[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,IK(uK(y_.UL,1),v0,5,15,[8487297,2172633,2116611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8829813]),IK(uK(y_.UL,1),v0,5,15,[14071213])]);s=1<<b.e.length;g=0;i=0;if(b.e.length>7){for(n=0;n<b.e.length;n++){h=G_._t(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=(i0&l[v][C])==0;j=f0&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]+$wnd.Math.cos(f);(j&1)==0&&(B=!B);f+=m+(B?C1:J2);j>>>=1}return}(j&1)!=0&&(j|=s);j>>>=1}}}}G_.Wt(b,g,i)};G_.Ut=function Ut(a){var b,c,d,e,f,g,h,i,j,k;b=null;j=null;for(g=0;g<a.f.e;g++){if(D_.dk(a.f,g)==32){c=D_.Uj(a.f,0,g);e=-1;h=0;for(;h<a.d.a.length;h++){e=G_.kv(E_.Yh(a.d,h),c);if(e!=-1)break}d=D_.Uj(a.f,1,g);f=-1;i=0;for(;i<a.d.a.length;i++){f=G_.kv(E_.Yh(a.d,i),d);if(f!=-1)break}if(h!=i){if(h>i){k=h;h=i;i=k;k=e;e=f;f=k}j==null&&(j=AK(y_.VM,a0,209,a.d.a.length,0,2));j[i]==null&&(j[i]=AK(y_.VM,{209:1,4:1,7:1},54,i,0,1));if(j[i][h])G_.Ru(j[i][h],e,f);else{EK(j[i],h,new G_.Uu(E_.Yh(a.d,h),E_.Yh(a.d,i),e,f));!b&&(b=new E_.ki);E_.Th(b,j[i][h])}}}}return b};G_.Vt=function Vt(a){var b,c;b=U0-U0*(a.e.length-2)/a.e.length;for(c=1;c<a.e.length;c++){a.a[c]=a.a[c-1]+$wnd.Math.sin(b*(c-1));a.b[c]=a.b[c-1]+$wnd.Math.cos(b*(c-1))}};G_.Wt=function Wt(a,b,c){var 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c,d,e,f,g,h,i,j,k,l,m,n,o;c=D_.Uj(a.f,0,b);d=D_.Uj(a.f,1,b);g=AK(y_.UL,v0,5,a.f.o,15,1);h=AK(y_.UL,v0,5,a.f.o,15,1);i=AK(y_.UL,v0,5,a.f.o,15,1);j=AK(y_.UL,v0,5,a.f.o,15,1);g[0]=c;g[1]=d;h[1]=b;i[c]=1;i[d]=2;j[0]=-1;j[1]=0;f=1;k=1;while(f<=k){for(l=0;l<D_.Qm(a.f,g[f]);l++){e=D_.Pm(a.f,g[f],l);if(f>1&&e==c){o=new G_.Yu(i[g[f]]);h[0]=D_.Rm(a.f,g[f],l);m=f;for(n=0;n<o.a.length;n++){o.a[n]=g[m];o.b[n]=h[m];m=j[m]}return o}if(i[e]==0&&D_.On(a.f,e)){g[++k]=e;h[k]=D_.Rm(a.f,g[f],l);i[e]=i[g[f]]+1;j[k]=f}}++f}return null};G_.fu=function fu(a,b,c,d){var e,f,g,h,i,j;g=AK(y_.UL,v0,5,a.f.o,15,1);h=AK(y_.UL,v0,5,a.f.o,15,1);g[0]=c;g[1]=b;h[c]=1;h[b]=2;f=1;i=1;while(f<=i){for(j=0;j<D_.Qm(a.f,g[f]);j++){e=D_.Pm(a.f,g[f],j);if(e==d)return 1+h[g[f]];if(h[e]==0&&D_.On(a.f,e)){g[++i]=e;h[e]=h[g[f]]+1}}++f}return 0};G_.gu=function gu(a,b){var c,d,e,f,g,h;h=(b.R&15)!=0;!a.g&&(a.g=new E_.VY);(a.e&2)!=0&&D_.Zn(b,false);a.f=b;D_.Ds(a.f,7);a.d=new G_.Du;a.b=AK(y_.iP,P0,5,a.f.o,16,1);a.c=AK(y_.iP,P0,5,a.f.p,16,1);a.i=AK(y_.UL,v0,5,a.f.o,15,1);for(c=0;c<a.f.o;c++)a.i[c]=D_.yj(a.f,c);(a.e&12)!=0&&G_.ru(a);(a.e&1)==0&&!!G_.Lt&&G_.tu(a,G_.Lt);G_.qu(a);G_.mu(a);G_.ou(a);G_.mu(a);for(e=new E_.VX(a.d);e.a<e.c.a.length;){d=E_.UX(e);G_.nv(d)}G_.Qt(a);G_.uu(a);G_.su(a);G_.lu(a);G_.ju(a);G_.nu(a);for(f=0;f<a.d.a.length;f++){d=E_.Yh(a.d,f);for(g=0;g<d.e.length;g++){D_.rl(a.f,d.e[g],d.a[g]);D_.sl(a.f,d.e[g],d.b[g]);D_.tl(a.f,d.e[g],0)}}h&&D_.eo(a.f);a.a&&D_.Sk(a.f)};G_.hu=function hu(a,b,c,d){var e,f;for(f=0;f<D_.Qm(a.f,c);f++){e=D_.Pm(a.f,c,f);if(e!=d&&e<b)return false}return true};G_.iu=function iu(a,b,c){var d;G_.Su(b,c,(a.e&12)!=0);d=G_.cu(a,b.b[0],b.b[1],0);G_.xu(a,b.b[0],b.b[1],d)};G_.ju=function ju(a){var b;b=G_.Rt(a);while(b){G_.iu(a,b,1.5);b=G_.Rt(a)}};G_.ku=function ku(a,b,c,d){var 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D_.Wm(this.a,a,b,c,d)};_.getFragmentAtoms=function HC(a,b){return D_.Xm(this.a,a,b)};_.getFragmentNumbers=function IC(a,b,c){return D_.Ym(this.a,a,b,c)};_.getFragments=function JC(){var a,b,c;a=D_.Js(this.a);c=AK(y_.jN,k0,30,a.length,0,1);for(b=0;b<a.length;b++){c[b]=new L_.sA(a[b])}return c};_.getFreeValence=function KC(a){return D_.Zm(this.a,a)};_.getHandleHydrogenMap=function LC(){return D_._m(this.a)};_.getHelperArrayStatus=function MC(){return this.a.R};_.getHoseCodes=function NC(a){a=a||{};var b=(typeof a.maxSphereSize===S2?5:a.maxSphereSize)|0;var c=(typeof a.type===S2?0:a.type)|0;return F_.tt(this.a,b,c)};_.getIDCode=function OC(){return D_.Ls(this.a)};_.getIDCodeAndCoordinates=function PC(){return {idCode:this.getIDCode(),coordinates:this.getIDCoordinates()}};_.getIDCoordinates=function QC(){return D_.Ms(this.a)};_.getImplicitHigherValence=function RC(a,b){return D_.an(this.a,a,b)};_.getImplicitHydrogens=function SC(a){return D_.bn(this.a,a)};_.getIndex=function TC(){return 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88
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90
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-
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|
91
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-
function
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|
92
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-
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93
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-
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|
94
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-
function
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|
95
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-
function
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|
96
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-
function
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97
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-
function
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98
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-
function
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99
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-
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100
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-
function
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|
101
|
-
function
|
|
102
|
-
function
|
|
103
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-
function
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|
104
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-
function
|
|
105
|
-
function
|
|
106
|
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function
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107
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function
|
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108
|
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function
|
|
109
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function
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110
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-
function
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111
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-
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|
112
|
-
function
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113
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-
function
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114
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-
function
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115
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function
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116
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-
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117
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function
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118
|
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function
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119
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function
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120
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function
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121
|
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function
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|
122
|
-
function
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|
123
|
-
function
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124
|
-
function
|
|
125
|
-
|
|
126
|
-
|
|
127
|
-
|
|
128
|
-
function
|
|
129
|
-
function
|
|
130
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function
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131
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V_.GU(a.e,e,d);V_.qU(f);return f};V_.UU=function UU(a,b,c,d){var e,f,g;if(d==0){z_.BT(b,0,a,c,a.length-c)}else{g=32-d;a[a.length-1]=0;for(f=a.length-1;f>c;f--){a[f]|=b[f-c-1]>>>g;a[f-1]=b[f-c-1]<<d}}for(e=0;e<c;e++){a[e]=0}};V_.VU=function VU(a){var b,c,d,e;e=a.d;c=e+1;b=AK(y_.UL,v0,5,c,15,1);V_.WU(b,a.a,e);d=new V_.GU(a.e,c,b);V_.qU(d);return d};V_.WU=function WU(a,b,c){var d,e,f;d=0;for(e=0;e<c;e++){f=b[e];a[e]=f<<1|d;d=f>>>31}d!=0&&(a[c]=d)};V_.XU=function XU(a,b){var c,d,e,f,g;d=b>>5;b&=31;if(d>=a.d){return a.e<0?(V_.nU(),V_.hU):(V_.nU(),V_.mU)}f=a.d-d;e=AK(y_.UL,v0,5,f+1,15,1);V_.YU(e,f,a.a,d,b);if(a.e<0){for(c=0;c<d&&a.a[c]==0;c++);if(c<d||b>0&&a.a[c]<<32-b!=0){for(c=0;c<f&&e[c]==-1;c++){e[c]=0}c==f&&++f;++e[c]}}g=new V_.GU(a.e,f,e);V_.qU(g);return g};V_.YU=function YU(a,b,c,d,e){var f,g,h;f=true;for(g=0;g<d;g++){f=f&c[g]==0}if(e==0){z_.BT(c,d,a,0,b);g=b}else{h=32-e;f=f&c[g]<<h==0;for(g=0;g<b-1;g++){a[g]=c[g+d]>>>e|c[g+d+1]<<h}a[g]=c[g+d]>>>e;++g}return f};V_._U=function 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n.a;}}k=18;l=AK(y_.RL,O1,5,k+1,15,1);c=k;p=a;do{j=p;p=yP(p,10);l[--c]=TP(oP(48,QP(j,IP(p,10))))&o0}while(uP(p,0)!=0);e=QP(QP(QP(y_.xP(k),y_.xP(c)),y_.xP(b)),1);if(b==0){i&&(l[--c]=45);return z_.hT(l,c,k-c)}if(b>0&&uP(e,-6)>=0){if(uP(e,0)>=0){f=c+TP(e);for(h=k-1;h>=f;h--){l[h+1]=l[h]}l[++f]=46;i&&(l[--c]=45);return z_.hT(l,c,k-c+1)}for(g=2;FP(y_.xP(g),oP(JP(e),1));g++){l[--c]=48}l[--c]=46;l[--c]=48;i&&(l[--c]=45);return z_.hT(l,c,k-c)}o=c+1;d=k;m=new z_.wT;i&&(m.a+='-',m);if(d-o>=1){z_.oT(m,l[c]);m.a+='.';m.a+=z_.hT(l,c+1,k-c-1)}else{m.a+=z_.hT(l,c,k-c)}m.a+='E';uP(e,0)>0&&(m.a+='+',m);m.a+=''+UP(e);return m.a};
|
|
132
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-
V_.cV=function cV(a,b){V_._U();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,H;B=a.e;o=a.d;e=a.a;if(B==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 n2;case 5:return '0.00000';case 6:return '0.000000';default:w=new z_.vT;b<0?(w.a+='0E+',w):(w.a+='0E',w);w.a+=-b;return w.a;}}t=o*10+1+7;u=AK(y_.RL,O1,5,t+1,15,1);c=t;if(o==1){h=e[0];if(h<0){H=pP(y_.xP(h),e3);do{p=H;H=yP(H,10);u[--c]=48+TP(QP(p,IP(H,10)))&o0}while(uP(H,0)!=0)}else{H=h;do{p=H;H=H/10|0;u[--c]=48+(p-H*10)&o0}while(H!=0)}}else{D=AK(y_.UL,v0,5,o,15,1);G=o;z_.BT(e,0,D,0,G);I:while(true){A=0;for(j=G-1;j>=0;j--){F=oP(NP(A,32),pP(y_.xP(D[j]),e3));r=V_.aV(F);D[j]=TP(r);A=BP(TP(OP(r,32)))}s=TP(A);q=c;do{u[--c]=48+s%10&o0}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 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g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;q=AK(y_.UL,v0,5,d+1,15,1);r=AK(y_.UL,v0,5,f+1,15,1);s=f;i=uS(e[f-1]);if(i!=0){V_.UU(r,e,0,i);V_.UU(q,c,0,i)}else{z_.BT(c,0,q,0,d);z_.BT(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=oP(NP(pP(y_.xP(q[m]),e3),32),pP(y_.xP(q[m-1]),e3));w=V_.gV(t,j);k=TP(w);v=TP(OP(w,32));if(k!=0){o=0;A=0;u=false;++k;do{--k;if(u){break}o=IP(pP(y_.xP(k),e3),pP(y_.xP(r[s-2]),e3));A=oP(NP(y_.xP(v),32),pP(y_.xP(q[m-2]),e3));p=oP(pP(y_.xP(v),e3),pP(y_.xP(j),e3));uS(TP(PP(p,32)))<32?(u=true):(v=TP(p))}while(CP(VP(o,f3),VP(A,f3)))}}if(k!=0){g=V_.hV(q,m-s,r,s,k);if(g!=0){--k;h=0;for(n=0;n<s;n++){h=oP(h,oP(pP(y_.xP(q[m-s+n]),e3),pP(y_.xP(r[n]),e3)));q[m-s+n]=TP(h);h=PP(h,32)}}}a[l]=k;--m;--l}if(i!=0){V_.YU(r,s,q,0,i);return r}z_.BT(q,0,r,0,f);return q};V_.eV=function eV(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=pP(y_.xP(n[0]),e3);e=pP(y_.xP(b),e3);f=yP(d,e);j=HP(d,e);p!=c&&(f=JP(f));p<0&&(j=JP(j));return 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c,d;for(d=0;d<a.Y.a.length;d++)a.u=W0.Qw(a.u,Q0.Yh(a.Y,d));P0.ad(a,b);c=0.1*b;a.u.c-=c;a.u.d-=c;a.u.b+=2*c;a.u.a+=2*c};P0.ad=function ad(a,b){var c,d,e,f,g,h,i;e=LL(K0.uQ,_1,5,a.J.o,16,1);for(d=0;d<a.J.p;d++){if(P0.vk(a.J,d)){e[P0.Uj(a.J,0,d)]=true;e[P0.Uj(a.J,1,d)]=true}}g=new W0.Rw;for(c=0;c<a.J.o;c++){f=WQ(BQ(P0.Kj(a.J,c),a2),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=P0.hh(a.P,P0.Mj(a.J,c));i=P0.ih(a.P,P0.Nj(a.J,c));W0.Pw(g,h-f,i-f,f*2,f*2);a.u=W0.Qw(a.u,g)}}};P0.bd=function bd(a,b){var c;c=a.K!=0?a.K:a.B!=0?a.B:-1;return Y0.VI(b,c)};P0.cd=function cd(a,b){var c,d;if((a.D&4224)!=0)return a.p[b];d=P0.dd(a,b);if(d==-1){c=P0.vm(a.J,b);if(c!=-1){b=c;d=P0.dd(a,b)}}if(d==-1)return a.p[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};
|
|
74
|
+
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f,g,h,i,j,k,l,m,n,o;m=false;e.a=0;e.b=0;d>0?(f=b2):(f=c2);o=P0.Tj(a.J,b,c);for(k=0;k<P0.Qm(a.J,b);k++){g=P0.Rm(a.J,b,k);h=o;P0.Uj(a.J,0,g)==b?(l=P0.Uj(a.J,1,g)):(l=P0.Uj(a.J,0,g));if(l==c)continue;n=P0.Tj(a.J,b,l);h<n&&(h+=d2);i=h-n;if(d>0){i<e2&&(m=true);i>b2&&(i=b2);i<0.523598776&&(i=0.523598776);if(i<=f){f=i;j=a.R*$wnd.Math.tan(f-f2)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}else{i>=e2&&(m=true);i<c2&&(i=c2);i>5.759586531&&(i=5.759586531);if(i>=f){f=i;j=a.R*$wnd.Math.tan(4.712388981-f)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}}return m};P0.nd=function nd(a,b,c,d){var e;if(b==0){c<0?(d.a=a.R):(d.a=-a.R);d.b=0;return}e=$wnd.Math.atan(c/b);b<0&&(e+=e2);d.a=-(a.R*$wnd.Math.sin(e));d.b=a.R*$wnd.Math.cos(e)};P0.od=function od(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;e=new P0.Qd;i=new P0.Qd;k=new W0.Iw;j=new 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75
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+
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P0.qe(a,b,c);if(P0.Pj(a.P,b)!=15&&P0.Pj(a.P,b)!=16)return false}if(P0.Qm(a.P,b)<3||P0.Bm(a.P,b)>4)return false;if(P0.yj(a.P,b)>0&&P0.Pj(a.P,b)==6)return false;if(P0.Pj(a.P,b)==5&&P0.Bm(a.P,b)!=4)return false;if(P0.Pj(a.P,b)==7&&!a.Q[b])return false;n=LL(K0.eN,H1,5,4,15,1);o=LL(K0.eN,H1,5,4,15,1);j=LL(K0.uQ,_1,5,4,16,1);for(h=0;h<P0.Bm(a.P,b);h++){f=-1;e=0;for(i=0;i<P0.Bm(a.P,b);i++){if(!j[i]){if(f<a.d[P0.Pm(a.P,b,i)]){f=a.d[P0.Pm(a.P,b,i)];e=i}}}n[h]=e;o[h]=f;j[e]=true}if(P0.Bm(a.P,b)==4&&o[0]==o[1]&&o[2]==o[3])return false;if(P0.Bm(a.P,b)==4&&(o[0]==o[2]||o[1]==o[3]))return false;if(P0.Bm(a.P,b)==3&&o[0]==o[2])return false;k=0;l=0;m=false;for(g=1;g<P0.Bm(a.P,b);g++){if(o[g-1]==o[g]){if(c==1||o[g]==0)return false;k=P0.Pm(a.P,b,n[g-1]);l=P0.Pm(a.P,b,n[g]);c==3&&P0.Qn(a.P,P0.Rm(a.P,b,n[g]))&&(a.U[b]=true);m=true}}if(c!=1&&!m)return false;d=a.hb?P0.De(a,b,n):P0.Ce(a,b,n);c==1?(a.bb[b]=d):c==2&&(d==1?P0.cg(a.c[k],NQ(a.d[b])):d==2&&P0.cg(a.c[l],NQ(a.d[b])));return true};P0.Ce=function 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b,c,d,e,f,g,h,i,j,k,l,m;if(a.v)return;a.v=new Q0.ki;k=0;l=LL(K0.eN,H1,5,a.P.d,15,1);g=LL(K0.eN,H1,5,a.P.d,15,1);i=LL(K0.eN,H1,5,a.P.e,15,1);for(b=0;b<a.P.d;b++){if(l[b]==0&&(P0.Pn(a.P,b)||P0.Gm(a.P,b)==1)){g[0]=b;h=1;j=0;l[b]=++k;c=LL(K0.uQ,_1,5,a.P.e,16,1);for(f=0;f<h;f++){for(m=0;m<P0.Qm(a.P,g[f]);m++){e=P0.Rm(a.P,g[f],m);if(P0.Qn(a.P,e)||P0.ak(a.P,e)==2||P0.Gn(a.P,e)){d=P0.Pm(a.P,g[f],m);if(!c[e]){i[j++]=e;c[e]=true}if(l[d]==0){g[h++]=d;l[d]=k}}}}Q0.Th(a.v,new P0.kg(g,h,i,j))}}};P0.Ge=function Ge(a){var 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76
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P0.im(a.A[b])};P0.Dk=function Dk(a,b){return (a.s[b]&b3)!=0};P0.Ek=function Ek(a,b){var c,d,e,f;if(a.I){if(WQ(BQ(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<=103))return false}}return P0.jm(a.A[b])};P0.Fk=function Fk(a,b){return a.v[b]==0};P0.Gk=function Gk(a,b){var c,d,e,f;if(a.I){if(WQ(BQ(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 false}}return P0.km(a.A[b])};P0.Hk=function Hk(a){var b;for(b=0;b<a.o;b++){switch(a.A[b]){case 1:case 5:case 6:case 7:case 8:case 9:case 14:case 15:case 16:case 17:case 33:case 34:case 35:case 52:case 53:continue;default:return false;}}return true};P0.Ik=function Ik(a,b){return (a.s[b]&512)!=0};P0.Jk=function Jk(a,b){return (a.s[a.B[0][b]]&a.s[a.B[1][b]]&512)!=0};P0.Kk=function Kk(a,b){return 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i,j,k,l,m,n,o,p,q,r;if(b!=d){q=a.H[b].a-a.H[d].a;r=a.H[b].b-a.H[d].b;h=$wnd.Math.sqrt(q*q+r*r)}i=b;k=P0.Ol(a,b)!=3;for(p=1;p<c;p++){m=a.H[i].a+h*$wnd.Math.sin(f);n=a.H[i].b+h*$wnd.Math.cos(f);o=-1;for(l=0;l<a.o;l++){if($wnd.Math.abs(m-a.H[l].a)<4&&$wnd.Math.abs(n-a.H[l].b)<4){o=l;break}}if(o==-1){o=P0.Si(a,m,n,0);a.H[o].a=m;a.H[o].b=n;a.H[o].c=0}j=P0._j(a,i,o);if(j==-1){j=P0.Vi(a,i,o,P0.Ek(a,i)||P0.Ek(a,o)?32:1);if(e){k&&P0.Ol(a,a.B[0][j])<4&&P0.Ol(a,a.B[1][j])<3&&(a.F[j]=2);k=!k}}i=o;f+=g}j=P0._j(a,i,d);j==-1&&(j=P0.Vi(a,i,d,P0.Ek(a,i)||P0.Ek(a,d)?32:1));e&&k&&P0.Ol(a,a.B[0][j])<4&&P0.Ol(a,a.B[1][j])<4&&(a.F[j]=2)};P0.Qk=function Qk(a,b,c){var d,e;if(P0.ak(a,b)!=1)return false;if((a.s[c]&3)!=0)return true;for(e=0;e<a.p;e++)if(e!=b&&a.F[e]==2&&(a.B[0][e]==c&&(a.s[a.B[1][e]]&3)!=0||a.B[1][e]==c&&(a.s[a.B[0][e]]&3)!=0))return true;for(d=0;d<a.p;d++)if(d!=b&&a.F[d]==1&&(a.B[0][d]==c||a.B[1][d]==c)&&(a.C[d]&3)!=0)return true;return false};P0.Rk=function Rk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-449};P0.Sk=function Sk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-131073};P0.Tk=function Tk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-513};P0.Uk=function Uk(a){var b;for(b=0;b<a.p;b++)a.C[b]&=-98305};P0.Vk=function Vk(a,b){var c;for(c=0;c<a.o;c++)$wnd.Math.abs(a.u[c])==$wnd.Math.abs(b)&&(a.u[c]=0)};P0.Wk=function Wk(a){var b,c,d,e;e=false;for(c=0;c<a.o;c++){if(WQ(BQ(a.w[c],a2),0)){a.A[c]=-1;e=true}}e&&P0.sj(a);if(a.t!=null){a.t=null;e=true}for(b=0;b<a.o;b++){if(WQ(a.w[b],0)){a.w[b]=0;e=true}}for(d=0;d<a.p;d++){if(a.D[d]!=0){a.D[d]=0;e=true}if(a.F[d]==64){a.F[d]=1;e=true}}e&&(a.R=0);return e};P0.Xk=function Xk(a,b){var c,d,e,f,g,h,i,j,k;if(b==0)return 0;h=null;for(d=0;d<a.o;d++){if((a.s[d]&R2)>>18==b){h==null&&(h=LL(K0.uQ,_1,5,32,16,1));h[(a.s[d]&R2)>>18!=1&&(a.s[d]&R2)>>18!=2?-1:(a.s[d]&l3)>>20]=true}}for(f=0;f<a.p;f++){if((a.C[f]&768)>>8==b){h==null&&(h=LL(K0.uQ,_1,5,32,16,1));h[(a.C[f]&768)>>8!=1&&(a.C[f]&768)>>8!=2?-1:(a.C[f]&m3)>>10]=true}}k=0;if(h!=null){j=LL(K0.eN,H1,5,32,15,1);for(i=0;i<32;i++)h[i]&&(j[i]=k++);for(c=0;c<a.o;c++){if((a.s[c]&R2)>>18==b){g=j[(a.s[c]&R2)>>18!=1&&(a.s[c]&R2)>>18!=2?-1:(a.s[c]&l3)>>20];a.s[c]&=-32505857;a.s[c]|=g<<20}}for(e=0;e<a.p;e++){if((a.C[e]&768)>>8==b){g=j[(a.C[e]&768)>>8!=1&&(a.C[e]&768)>>8!=2?-1:(a.C[e]&m3)>>10];a.C[e]&=-31745;a.C[e]|=g<<10}}}return k};P0.Yk=function Yk(a,b){var c;for(c=0;c<a.o;c++){a.H[c].a*=b;a.H[c].b*=b}};P0.Zk=function Zk(a,b){a.o=b;a.R=0};P0.$k=function $k(a,b){a.p=b;a.R=0};P0._k=function _k(a,b,c){if(c>=-1&&c<=14){a.s[b]&=-2013265921;a.s[b]|=1+c<<27;if(a.A[b]==6){if(c==-1||c==0||c==2||c==4){a.s[b]&=-49;c==2&&(a.s[b]|=16)}}}};P0.al=function al(a,b,c){a.s[b]&=-49153;a.s[b]|=c<<14};P0.bl=function bl(a,b,c){a.q[b]=c;a.R=0};P0.cl=function cl(a,b,c){a.s[b]&=-449;a.s[b]|=c};P0.dl=function dl(a,b,c){c?(a.s[b]|=p3):(a.s[b]&=-33554433);a.R&=7};P0.el=function el(a,b,c){var d,e;if(c!=null){if(O0.F0(c).length==0)c=null;else{d=P0.gm(c,321);if(d!=0&&L0.bU(c,P0.Li[d])||L0.bU(c,'?')){P0.ul(a,b,d);c=null}}}if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=LL(K0.aN,m1,7,a.K,0,2));a.r[b]=O0.k0((e=c,O0.f0(),e))}};P0.fl=function fl(a,b,c){c!=null&&c.length==0&&(c=null);if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=LL(K0.aN,m1,7,a.K,0,2));a.r[b]=c}};
|
|
79
|
+
P0.gl=function gl(a,b,c,d){var e,f,g;if(c==0){a.s[b]&=s3;a.s[b]|=c<<18}else{if(d>=32)return;if(d==-1){g=-1;for(f=0;f<a.o;f++)f!=b&&c==(a.s[f]&R2)>>18&&g<((a.s[f]&R2)>>18!=1&&(a.s[f]&R2)>>18!=2?-1:(a.s[f]&l3)>>20)&&(g=(a.s[f]&R2)>>18!=1&&(a.s[f]&R2)>>18!=2?-1:(a.s[f]&l3)>>20);for(e=0;e<a.p;e++)c==(a.C[e]&768)>>8&&g<((a.C[e]&768)>>8!=1&&(a.C[e]&768)>>8!=2?-1:(a.C[e]&m3)>>10)&&(g=(a.C[e]&768)>>8!=1&&(a.C[e]&768)>>8!=2?-1:(a.C[e]&m3)>>10);d=g+1;if(d>=32)return}a.s[b]&=s3;a.s[b]|=c<<18|d<<20}a.R&=7};P0.hl=function hl(a,b,c){a.t==null&&(a.t=LL(K0.eN,Z2,6,a.K,0,2));O0.d0(c,O0.F0(sR(Q0.JZ.prototype.ac,Q0.JZ,[])));a.t[b]=c;a.R=0;a.I=true};P0.il=function il(a,b,c,d){var e;if(c==null){a.t!=null&&(a.t[b]=null);return}if(c.length==1&&!d){e=c[0];a.A[b]!=e&&P0.dj(a,b,e,0,-1,0);a.t!=null&&(a.t[b]=null);return}a.t==null&&(a.t=LL(K0.eN,Z2,6,a.K,0,2));a.t[b]=c;d&&(a.w[b]=YQ(a.w[b],1));a.R=0;a.I=true};P0.jl=function jl(a,b,c,d){a.u[b]=d?-c:c};P0.kl=function 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pm(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;P0.Js(a,1);c&&(b=true);for(i=0;i<a.p;i++){j=P0.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(P0.Ek(a,f)||P0.Ek(a,g))continue;if(a.A[f]<9&&P0.gn(a,f)>3||a.A[g]<9&&P0.gn(a,g)>3)continue;l=P0.bn(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=P0.Zn(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&&!P0.An(a,e)){++p;P0.Bk(a,e)&&(n-=a.q[e])}}if(!b&&t!=0)throw zQ(new L0.CJ("molecule's overall charges are not 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80
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+
P0.Zn=function Zn(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;d=a.c[b];e=LL(K0.cN,L2,5,d,15,1);for(q=0;q<d;q++)e[q]=P0.Tj(a,b,a.f[b][q]);for(r=1;r<d;r++){for(u=0;u<r;u++){f=$wnd.Math.abs(P0.fm(e[r],e[u]));if(f<0.08||f>w3){g=0;h=0;for(v=0;v<d;v++){if(v!=r&&v!=u){g+=$wnd.Math.abs(Y0.OI(e[r],e[v]));h+=$wnd.Math.abs(Y0.OI(e[u],e[v]))}}j=g<h?a.i[b][r]:a.i[b][u];if(P0.ak(a,j)==1&&(!c||!(a.F[j]==257||a.F[j]==129)))return j}}}t=LL(K0.uQ,_1,5,d,16,1);for(s=0;s<d;s++){k=-10;l=10;for(u=0;u<d;u++){if(u!=s){o=Y0.OI(e[s],e[u]);o<0?k<o&&(k=o):l>o&&(l=o)}t[s]=l-k<e2}}w=-1;i=0;for(p=0;p<d;p++){m=a.f[b][p];n=a.i[b][p];A=P0.un(a,n,m);t[p]&&(A+=g2);if(i<A&&(!c||!(a.F[n]==257||a.F[n]==129))){i=A;w=n}}return w};P0.$n=function $n(a,b){var c,d,e,f;P0.Js(a,b?15:1);a.o=a.d;a.p=a.e;for(d=0;d<a.d;d++){if(a.c[d]!=a.g[d]){c=P0.an(a,d,false);a.c[d]=a.g[d];if(c!=-1){f=P0.an(a,d,true);if(c!=f){e=((a.s[d]&k3)>>>27)-1;(e==-1||e<c)&&P0._k(a,d,c)}}}}b&&P0.fo(a);a.R=0};P0._n=function _n(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.g[b]!=2||a.j[b][0]!=2||a.j[b][1]!=2||a.g[a.f[b][0]]<2||a.g[a.f[b][1]]<2||a.k[a.f[b][0]]!=1||a.k[a.f[b][1]]!=1){P0.ml(a,b,0,false);return}v=-1;u=-1;t=-1;q=-1;f=0;for(l=0;l<2;l++){d=a.f[b][l];for(o=0;o<a.c[d];o++){g=a.f[d][o];if(g!=b){h=a.i[d][o];w=P0.un(a,h,g);if(f<w){f=w;u=g;v=h;t=d;q=a.f[b][1-l]}}}}if(u==-1)return;for(m=0;m<2;m++){d=a.f[b][m];for(o=0;o<a.c[d];o++){g=a.f[d][o];h=a.i[d][o];g!=b&&a.B[0][h]==d&&(a.F[h]=1)}}if(a.B[1][v]!=u){a.B[0][v]=a.B[1][v];a.B[1][v]=u}i=r1;for(n=0;n<a.g[t];n++){g=a.f[t][n];g!=b&&i>g&&(i=g)}r=LL(K0.eN,H1,5,2,15,1);s=0;for(k=0;k<a.g[q];k++){g=a.f[q][k];g!=b&&(r[s++]=g)}c=P0.em(a.H[b].a,a.H[b].b,a.H[q].a,a.H[q].b);e=0;if(s==2){if(r[0]>r[1]){A=r[0];r[0]=r[1];r[1]=A}j=P0.fm(c,P0.Tj(a,q,r[0]));p=P0.fm(c,P0.Tj(a,q,r[1]));e=j-p}else{e=P0.fm(c,P0.Tj(a,q,r[0]))}e<0^(a.s[b]&3)==1^i==u?(a.F[v]=257):(a.F[v]=129)};P0.ao=function ao(a,b,c,d){var e,f,g,h,i,j;e=a.c[b];h=LL(K0.eN,H1,5,e,15,1);j=P0.Wm(a,b,c,d,h);if(j==3)return false;g=(a.s[b]&3)==j?257:129;for(i=0;i<e;i++){if((h[i]&1)==1){f=a.i[b][c[i]];a.F[f]=g;if(a.B[0][f]!=b){a.B[1][f]=a.B[0][f];a.B[0][f]=b}}}return true};P0.bo=function bo(a,b){a.R|=248&(8|b)};P0.co=function co(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;P0.rm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){P0._n(a,b);return}if(a.g[b]<3||a.g[b]>4){P0.ml(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(P0.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=P0.sn(a,b);d=LL(K0.cN,L2,5,c,15,1);for(h=0;h<c;h++)d[h]=P0.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&P0.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?P0.mq(a.n,b):0)<=24&&P0.ao(a,b,p,d))return;m=P0.Zn(a,b,true);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=TL(FL(K0.eN,2),Z2,6,0,[TL(FL(K0.eN,1),H1,5,15,[2,1,2,1]),TL(FL(K0.eN,1),H1,5,15,[1,2,2,1]),TL(FL(K0.eN,1),H1,5,15,[1,1,2,2]),TL(FL(K0.eN,1),H1,5,15,[2,1,1,2]),TL(FL(K0.eN,1),H1,5,15,[2,2,1,1]),TL(FL(K0.eN,1),H1,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=d2);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<e2||d[1]>d[2]&&d[1]-d[2]>e2;break;case 1:k=d[2]-d[0]>e2;break;case 2:k=d[1]-d[0]<e2;}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};P0.eo=function eo(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||!P0.Gn(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&&P0.ak(a,h)==1){g=a.f[d][o];w=P0.un(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&&P0.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=r1;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=LL(K0.eN,H1,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=P0.em(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=P0.fm(f,P0.Tj(a,s,q[0]));p=P0.fm(f,P0.Tj(a,s,q[1]));c=j-p}else{c=P0.fm(f,P0.Tj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};P0.fo=function fo(a){var b,c,d,e;P0.Js(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++)P0.co(a,b);for(e=0;e<a.e;e++)P0.eo(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};P0.go=function go(b,c){var d,e,f,g,h,i,j,k,l,m;i=LL(K0.eN,H1,5,b.o,15,1);h=P0.Ym(b,i,false,c);if(h<=1)return null;j=LL(K0.eN,H1,5,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=P0.hj(b);b.R=0;try{P0.pm(b,true,true)}catch(a){a=yQ(a);if(!SM(a,13))throw zQ(a)}return f};P0.ho=function ho(a,b){if((a.s[b]&k3)!=0)return true;if(a.A[b]==1)return false;return P0.Gk(a,b)||a.A[b]==13||a.A[b]>=171};P0.io=function io(a){var b,c,d,e,f,g,h,i,j,k;f=P0.Rj(a,a.o,a.p,P0.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 zQ(new L0.CJ('The distance between two atoms is too close.'))}}P0.Js(a,1);b=0;for(c=0;c<a.d;c++){if(P0.gn(a,c)>(h=P0.jk(a,c),h+P0.hk(a,c,h)))throw zQ(new L0.CJ('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw zQ(new L0.CJ('unbalanced atom charge'))};P0.jo=function jo(a,b,c){var d;d=P0.Ul(a,b,c);if(d&&c==386){P0.Js(a,7);d=d&(a.C[b]&128)==0}return d};P0.ko=function ko(){P0.Xl.call(this)};P0.lo=function lo(a,b){P0.Yl.call(this,a,b)};P0.mo=function mo(a){P0.Yl.call(this,!a?256:a.K,!a?256:a.L);!!a&&P0.lj(a,this)};pR(70,61,{70:1,61:1,4:1});_.wb=function no(a){P0.um(this,a)};_.vb=function oo(a){return P0.Jn(this,a)};_.d=0;_.e=0;K0.BN=IS(70);P0.po=function po(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};P0.qo=function qo(a,b){var c,d;c=b;d=0;while(b!=0){if(a.d==0){a.f=(a.c[++a.e]&63)<<11;a.d=6}d|=(z1&a.f)>>16-c+b;a.f<<=1;--b;--a.d}return d};P0.ro=function ro(a,b,c){a.d=6;a.e=c;a.c=b;a.f=(b[a.e]&63)<<11};P0.so=function so(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32|0;c=f*a/(d-a);return e?-c:c};P0.to=function to(a,b){var c;return b==null||O0.F0(b).length==0?null:P0.vo(a,O0.k0((c=b,O0.f0(),c)),null)};P0.uo=function uo(a,b,c){var d,e;return b==null?null:P0.vo(a,O0.k0((e=b,O0.f0(),e)),c==null?null:O0.k0((d=c,d)))};P0.vo=function vo(a,b,c){var d,e,f,g,h;P0.ro(a,b,0);d=P0.qo(a,4);g=P0.qo(a,4);d>8&&(d=g);e=P0.qo(a,d);f=P0.qo(a,g);h=new P0._s(e,f);P0.wo(a,h,b,c,0);return h};P0.wo=function wo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,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,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac;P0.gj(c);if(0>=d.length)return;b.g=c;uc=8;e!=null&&(f<0||f>=e.length)&&(e=null);P0.ro(b,d,0);i=P0.qo(b,4);B=P0.qo(b,4);if(i>8){uc=i;i=B}if(i==0){P0.Gl(b.g,P0.qo(b,1)==1);return}j=P0.qo(b,i);k=P0.qo(b,B);ic=P0.qo(b,i);mc=P0.qo(b,i);lc=P0.qo(b,i);O=P0.qo(b,i);for(o=0;o<j;o++)P0.Ti(b.g,6);for(kb=0;kb<ic;kb++)P0.ul(b.g,P0.qo(b,i),7);for(lb=0;lb<mc;lb++)P0.ul(b.g,P0.qo(b,i),8);for(wb=0;wb<lc;wb++)P0.ul(b.g,P0.qo(b,i),P0.qo(b,8));for(Hb=0;Hb<O;Hb++)P0.bl(b.g,P0.qo(b,i),P0.qo(b,4)-8);P=1+k-j;V=P0.qo(b,4);A=0;P0.rl(b.g,0,0);P0.sl(b.g,0,0);P0.tl(b.g,0,0);W=e!=null&&e[f]>=39;tc=0;wc=0;yc=0;Ac=0;R=false;S=false;if(W){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){S=true;R=e.length==3*j-3+9;_b=R?3*j-3:2*j-2;w=86*(e[_b+1]-40)+e[_b+2]-40;tc=$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=$wnd.Math.pow(10,zc/1500-1)}}else{R=e.length==3*j-3}}if(b.xb()&&R){e=null;W=false}for(Sb=1;Sb<j;Sb++){X=P0.qo(b,V);if(X==0){if(W){P0.rl(b.g,Sb,P0.Mj(b.g,0)+8*(e[Sb*2-2]-83));P0.sl(b.g,Sb,P0.Nj(b.g,0)+8*(e[Sb*2-1]-83));R&&P0.tl(b.g,Sb,P0.Oj(b.g,0)+8*(e[2*j-3+Sb]-83))}++P;continue}A+=X-1;if(W){P0.rl(b.g,Sb,P0.Mj(b.g,A)+e[Sb*2-2]-83);P0.sl(b.g,Sb,P0.Nj(b.g,A)+e[Sb*2-1]-83);R&&P0.tl(b.g,Sb,P0.Oj(b.g,A)+(e[2*j-3+Sb]-83))}P0.Vi(b.g,A,Sb,1)}for(Wb=0;Wb<P;Wb++)P0.Vi(b.g,P0.qo(b,i),P0.qo(b,i),1);ac=LL(K0.uQ,_1,5,k,16,1);for(I=0;I<k;I++){J=P0.qo(b,2);switch(J){case 0:ac[I]=true;break;case 2:P0.El(b.g,I,2);break;case 3:P0.El(b.g,I,4);}}h=P0.qo(b,i);for(Xb=0;Xb<h;Xb++){n=P0.qo(b,i);if(uc==8){nc=P0.qo(b,2);if(nc==3){P0.gl(b.g,n,1,0);P0.ml(b.g,n,1,false)}else{P0.ml(b.g,n,nc,false)}}else{nc=P0.qo(b,3);switch(nc){case 4:P0.ml(b.g,n,1,false);P0.gl(b.g,n,1,P0.qo(b,3));break;case 5:P0.ml(b.g,n,2,false);P0.gl(b.g,n,1,P0.qo(b,3));break;case 6:P0.ml(b.g,n,1,false);P0.gl(b.g,n,2,P0.qo(b,3));break;case 7:P0.ml(b.g,n,2,false);P0.gl(b.g,n,2,P0.qo(b,3));break;default:P0.ml(b.g,n,nc,false);}}}uc==8&&P0.qo(b,1)==0&&(b.g.J=true);g=P0.qo(b,B);for(Yb=0;Yb<g;Yb++){D=P0.qo(b,B);if(P0.dk(b.g,D)==1){nc=P0.qo(b,3);switch(nc){case 4:P0.Bl(b.g,D,1,false);P0.yl(b.g,D,1,P0.qo(b,3));break;case 5:P0.Bl(b.g,D,2,false);P0.yl(b.g,D,1,P0.qo(b,3));break;case 6:P0.Bl(b.g,D,1,false);P0.yl(b.g,D,2,P0.qo(b,3));break;case 7:P0.Bl(b.g,D,2,false);P0.yl(b.g,D,2,P0.qo(b,3));break;default:P0.Bl(b.g,D,nc,false);}}else{P0.Bl(b.g,D,P0.qo(b,2),false)}}P0.Gl(b.g,P0.qo(b,1)==1);m=null;kc=0;while(P0.qo(b,1)==1){U=kc+P0.qo(b,4);switch(U){case 0:jc=P0.qo(b,i);for(Zb=0;Zb<jc;Zb++){n=P0.qo(b,i);P0.nl(b.g,n,K2,true)}break;case 1:jc=P0.qo(b,i);for($b=0;$b<jc;$b++){n=P0.qo(b,i);gc=P0.qo(b,8);P0.ll(b.g,n,gc)}break;case 2:jc=P0.qo(b,B);for(mb=0;mb<jc;mb++){P0.qo(b,B)}break;case 3:jc=P0.qo(b,i);for(nb=0;nb<jc;nb++){n=P0.qo(b,i);P0.nl(b.g,n,h2,true)}break;case 4:jc=P0.qo(b,i);for(ob=0;ob<jc;ob++){n=P0.qo(b,i);rc=ZQ(NQ(P0.qo(b,4)),3);P0.nl(b.g,n,rc,true)}break;case 5:jc=P0.qo(b,i);for(pb=0;pb<jc;pb++){n=P0.qo(b,i);l=ZQ(NQ(P0.qo(b,2)),1);P0.nl(b.g,n,l,true)}break;case 6:jc=P0.qo(b,i);for(qb=0;qb<jc;qb++){n=P0.qo(b,i);P0.nl(b.g,n,1,true)}break;case 7:jc=P0.qo(b,i);for(rb=0;rb<jc;rb++){n=P0.qo(b,i);hb=ZQ(NQ(P0.qo(b,4)),7);P0.nl(b.g,n,hb,true)}break;case 8:jc=P0.qo(b,i);for(sb=0;sb<jc;sb++){n=P0.qo(b,i);t=P0.qo(b,4);r=LL(K0.eN,H1,5,t,15,1);for(bc=0;bc<t;bc++){s=P0.qo(b,8);r[bc]=s}P0.hl(b.g,n,r)}break;case 9:jc=P0.qo(b,B);for(tb=0;tb<jc;tb++){D=P0.qo(b,B);rc=P0.qo(b,2)<<7;P0.Dl(b.g,D,rc,true)}break;case 10:jc=P0.qo(b,B);for(ub=0;ub<jc;ub++){D=P0.qo(b,B);L=P0.qo(b,5);P0.Dl(b.g,D,L,true)}break;case 11:jc=P0.qo(b,i);for(vb=0;vb<jc;vb++){n=P0.qo(b,i);P0.nl(b.g,n,J2,true)}break;case 12:jc=P0.qo(b,B);for(xb=0;xb<jc;xb++){D=P0.qo(b,B);M=P0.qo(b,8)<<9;P0.Dl(b.g,D,M,true)}break;case 13:jc=P0.qo(b,i);for(yb=0;yb<jc;yb++){n=P0.qo(b,i);oc=ZQ(NQ(P0.qo(b,3)),14);P0.nl(b.g,n,oc,true)}break;case 14:jc=P0.qo(b,i);for(zb=0;zb<jc;zb++){n=P0.qo(b,i);hc=ZQ(NQ(P0.qo(b,5)),17);P0.nl(b.g,n,hc,true)}break;case 15:case 31:kc+=16;break;case 16:jc=P0.qo(b,i);for(Ab=0;Ab<jc;Ab++){n=P0.qo(b,i);qc=ZQ(NQ(P0.qo(b,3)),22);P0.nl(b.g,n,qc,true)}break;case 17:jc=P0.qo(b,i);for(Bb=0;Bb<jc;Bb++){n=P0.qo(b,i);P0._k(b.g,n,P0.qo(b,4))}break;case 18:jc=P0.qo(b,i);fc=P0.qo(b,4);for(Cb=0;Cb<jc;Cb++){n=P0.qo(b,i);T=P0.qo(b,fc);cc=LL(K0.aN,a3,5,T,15,1);for(bc=0;bc<T;bc++)cc[bc]=P0.qo(b,7)<<24>>24;P0.el(b.g,n,L0.sU(O0.i0(cc,0,(dc=cc.length,O0.f0(),dc))))}break;case 19:jc=P0.qo(b,i);for(Db=0;Db<jc;Db++){n=P0.qo(b,i);N=ZQ(NQ(P0.qo(b,3)),25);P0.nl(b.g,n,N,true)}break;case 20:jc=P0.qo(b,B);for(Eb=0;Eb<jc;Eb++){D=P0.qo(b,B);qc=P0.qo(b,3)<<17;P0.Dl(b.g,D,qc,true)}break;case 21:jc=P0.qo(b,i);for(Fb=0;Fb<jc;Fb++){n=P0.qo(b,i);P0.ol(b.g,n,P0.qo(b,2)<<4)}break;case 22:jc=P0.qo(b,i);for(Gb=0;Gb<jc;Gb++){n=P0.qo(b,i);P0.nl(b.g,n,I2,true)}break;case 23:jc=P0.qo(b,B);for(Ib=0;Ib<jc;Ib++){D=P0.qo(b,B);P0.Dl(b.g,D,d3,true)}break;case 24:jc=P0.qo(b,B);for(Jb=0;Jb<jc;Jb++){D=P0.qo(b,B);l=P0.qo(b,2)<<21;P0.Dl(b.g,D,l,true)}break;case 25:for(Kb=0;Kb<j;Kb++)P0.qo(b,1)==1&&P0.pl(b.g,Kb,true);break;case 26:jc=P0.qo(b,B);m=LL(K0.eN,H1,5,jc,15,1);for(Lb=0;Lb<jc;Lb++)m[Lb]=P0.qo(b,B);break;case 27:jc=P0.qo(b,i);for(Mb=0;Mb<jc;Mb++){n=P0.qo(b,i);P0.nl(b.g,n,a2,true)}break;case 28:jc=P0.qo(b,B);for(Nb=0;Nb<jc;Nb++)P0.El(b.g,P0.qo(b,B),32);break;case 29:jc=P0.qo(b,i);for(Ob=0;Ob<jc;Ob++){n=P0.qo(b,i);gb=ZQ(NQ(P0.qo(b,2)),30);P0.nl(b.g,n,gb,true)}break;case 30:jc=P0.qo(b,i);for(Pb=0;Pb<jc;Pb++){n=P0.qo(b,i);qc=ZQ(NQ(P0.qo(b,7)),32);P0.nl(b.g,n,qc,true)}break;case 32:jc=P0.qo(b,i);for(Qb=0;Qb<jc;Qb++){n=P0.qo(b,i);sc=ZQ(NQ(P0.qo(b,2)),44);P0.nl(b.g,n,sc,true)}break;case 33:jc=P0.qo(b,i);for(Rb=0;Rb<jc;Rb++){n=P0.qo(b,i);bb=ZQ(NQ(P0.qo(b,5)),39);P0.nl(b.g,n,bb,true)}break;case 34:jc=P0.qo(b,i);for(Tb=0;Tb<jc;Tb++){n=P0.qo(b,i);P0.nl(b.g,n,k2,true)}break;case 35:jc=P0.qo(b,B);for(Ub=0;Ub<jc;Ub++){D=P0.qo(b,B);P0.Dl(b.g,D,g3,true)}break;case 36:jc=P0.qo(b,B);for(Vb=0;Vb<jc;Vb++){D=P0.qo(b,B);K=P0.qo(b,2)<<5;P0.Dl(b.g,D,K,true)}break;case 37:jc=P0.qo(b,B);for(jb=0;jb<jc;jb++){D=P0.qo(b,B);K=P0.qo(b,1)==0?8:16;P0.El(b.g,D,K)}}}P0.ae(new P0.ke(b.g),ac,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];P0.El(b.g,D,P0.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){P0.ro(b,e,f+1);R=P0.qo(b,1)==1;S=P0.qo(b,1)==1;pc=2*P0.qo(b,4);C=1<<pc;eb=0;D=0;for(p=1;p<j;p++){if(D<k&&P0.Uj(b.g,1,D)==p){eb=P0.Uj(b.g,0,D++);db=1}else{eb=0;db=8}P0.rl(b.g,p,P0.Mj(b.g,eb)+db*(P0.qo(b,pc)-(C/2|0)));P0.sl(b.g,p,P0.Nj(b.g,eb)+db*(P0.qo(b,pc)-(C/2|0)));R&&P0.tl(b.g,p,P0.Oj(b.g,eb)+db*(P0.qo(b,pc)-(C/2|0)))}if(e[f]==35){ib=0;fb=LL(K0.eN,H1,5,j,15,1);for(q=0;q<j;q++)ib+=fb[q]=P0.bn(b.g,q);for(n=0;n<j;n++){for(jb=0;jb<fb[n];jb++){hb=P0.Ti(b.g,1);P0.Vi(b.g,n,hb,1);P0.rl(b.g,hb,P0.Mj(b.g,n)+(P0.qo(b,pc)-(C/2|0)));P0.sl(b.g,hb,P0.Nj(b.g,n)+(P0.qo(b,pc)-(C/2|0)));R&&P0.tl(b.g,hb,P0.Oj(b.g,n)+(P0.qo(b,pc)-(C/2|0)))}}j+=ib;k+=ib}v=R?1.5:(P0.Ri(),P0.Ri(),P0.Qi);u=P0.Rj(b.g,j,k,v);if(S){tc=P0.po(P0.qo(b,pc),C);wc=tc*P0.so(P0.qo(b,pc),C);yc=tc*P0.so(P0.qo(b,pc),C);R&&(Ac=tc*P0.so(P0.qo(b,pc),C));db=tc/u;for(n=0;n<j;n++){P0.rl(b.g,n,wc+db*P0.Mj(b.g,n));P0.sl(b.g,n,yc+db*P0.Nj(b.g,n));R&&P0.tl(b.g,n,Ac+db*P0.Oj(b.g,n))}}else{tc=1.5;db=tc/u;for(n=0;n<j;n++){P0.rl(b.g,n,db*P0.Mj(b.g,n));P0.sl(b.g,n,db*P0.Nj(b.g,n));R&&P0.tl(b.g,n,db*P0.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=P0.Mj(b.g,P0.Uj(b.g,0,D))-P0.Mj(b.g,P0.Uj(b.g,1,D));Z=P0.Nj(b.g,P0.Uj(b.g,0,D))-P0.Nj(b.g,P0.Uj(b.g,1,D));$=R?P0.Oj(b.g,P0.Uj(b.g,0,D))-P0.Oj(b.g,P0.Uj(b.g,1,D)):0;u+=$wnd.Math.sqrt(Y*Y+Z*Z+$*$)}u/=b.g.p;cb=tc/u;for(n=0;n<b.g.o;n++){P0.rl(b.g,n,P0.Mj(b.g,n)*cb+wc);P0.sl(b.g,n,P0.Nj(b.g,n)*cb+yc);R&&P0.tl(b.g,n,P0.Oj(b.g,n)*cb+Ac)}}}}catch(a){a=yQ(a);if(SM(a,13)){ab=a;L0.kJ(ab,(L0.MU(),L0.LU),'');'Faulty id-coordinates:'+L0.oJ(ab,ab.Kb())+' '+L0.sU(O0.i0(d,0,(ec=d.length,O0.f0(),ec)))+' '+L0.sU(O0.i0(e,0,(dc=e.length,dc)));String.fromCharCode(10);e=null;R=false}else throw zQ(a)}}Q=e!=null&&!R;if(Q||b.xb()){P0.Js(b.g,7);for(D=0;D<b.g.e;D++)P0.ak(b.g,D)==2&&!P0.Tn(b.g,D)&&P0.bk(b.g,D)==0&&P0.Cl(b.g,D)}P0.bo(b.g,0);if(!Q&&b.xb()){try{b.yb(b.g);Q=true}catch(a){a=yQ(a);if(SM(a,13)){ab=a;L0.kJ(ab,(L0.MU(),L0.LU),'');'2D-coordinate creation failed:'+L0.oJ(ab,ab.Kb())+' '+L0.sU(O0.i0(d,0,(dc=d.length,O0.f0(),dc)));String.fromCharCode(10)}else throw zQ(a)}}if(Q){P0.fo(b.g);P0.Ws(b.g)}else R||P0.bo(b.g,0)};P0.xo=function xo(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;P0.ro(a,b,0);h=P0.qo(a,4);e=P0.qo(a,1)==1;f=P0.qo(a,1)==1;for(c=0;c<a.g.d;c++){g=P0.qo(a,h);d=e;e&&f&&(d=P0.qo(a,1)==1);P0.jl(a.g,c,g,d)}};P0.yo=function yo(){};pR(157,1,{},P0.yo);_.xb=function zo(){return false};_.yb=function Ao(a){throw zQ(new L0.CJ('Unexpected request to invent coordinates. Check source code logic!'))};_.d=0;_.e=0;_.f=0;_.i=false;K0.CN=IS(157);P0.Bo=function Bo(a){};P0.Co=function Co(a){P0.Bo(this);this.b=a};pR(51,157,{},P0.Co);_.xb=function Do(){return this.b};_.yb=function Eo(a){var b;b=new S0.Fu(this.a);b.g=new Q0.g$(78187493520);S0.mu(b,a)};_.a=2;_.b=false;K0.DN=IS(51);P0.Fo=function Fo(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=WQ(BQ(P0.Kj(a.k,e),1),0);f=P0.Fj(a.k,e);l=f!=null?P0.Mo(a,e,f,d):j?'*':P0.Ej(a.k,e);!j&&f==null&&P0.En(a.k,e)&&(a.j&4)==0&&(P0.Gm(a.k,e)!=0||P0.wj(a.k,e)==-1&&P0.Lj(a.k,e)==0)&&(l=O0.F0(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&P0.Jo(a,P0.Nm(a.k,b.a,b.g),b.g,c);g=P0.yj(a.k,e);if(g==0&&(a.j&1)!=0){h=BQ(P0.Kj(a.k,e),n2);GQ(h,q2)==0?(g=-1):GQ(h,p2)==0&&(g=1)}k=P0.Ij(a.k,e);m=(a.j&2)!=0?P0.Hj(a.k,e):0;o=(a.j&1)!=0?P0.So(a,e,d):null;r=!j&&!P0.Zo(P0.Pj(a.k,e))||f!=null||(P0.Jj(a.k,e)==1||P0.Jj(a.k,e)==2)&&(q=P0.Dj(a.k,e)-1,!(q!=-1&&a.i[q][P0.Cj(a.k,e)]<=1))&&(P0.Pj(a.k,e)!=7||P0.yj(a.k,e)>0)||P0.En(a.k,e)&&P0.Gm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||P0.wj(a.k,e)!=-1||P0.Lj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(P0.Jj(a.k,e)==1||P0.Jj(a.k,e)==2)&&(p=P0.Dj(a.k,e)-1,!(p!=-1&&a.i[p][P0.Cj(a.k,e)]<=1))&&(P0.Pj(a.k,e)!=7||P0.yj(a.k,e)>0)&&L0.EU(c,P0.Ro(a,e,n));if((a.j&1)==0&&r){i=P0.nn(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&L0.BU(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);P0.Ko(a,b,c);b.e&&(c.a+=')',c)};P0.Go=function Go(a,b,c){var d,e,f,g,h;f=true;h=Q0.Yh(a.g,b).a;g=P0.Vo(a,h);while(g!=-1){d=P0.Pm(a.k,h,g);e=P0.Rm(a.k,h,g);g=P0.Vo(a,d);P0.Io(a,new P0.Zr(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};P0.Ho=function Ho(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&x3)!=0^c?2:1}};P0.Io=function Io(a,b,c){Q0.Sh(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[P0.Nm(a.k,b.a,b.g)]=true)};P0.Jo=function Jo(a,b,c,d){var 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P0.cp(154,253.084817974),new P0.cp(155,254.088016026),new P0.cp(156,255.090266386),new P0.cp(157,256.093592),new P0.cp(158,257.095979)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(142,242.07343),new P0.cp(143,243.07451),new P0.cp(144,244.074077),new P0.cp(145,245.075375),new P0.cp(146,246.075281634),new P0.cp(147,247.076819),new P0.cp(148,248.077184411),new P0.cp(149,249.079024),new P0.cp(150,250.079514759),new P0.cp(151,251.081566467),new P0.cp(152,252.082460071),new P0.cp(153,253.085176259),new P0.cp(154,254.086847795),new P0.cp(155,255.089955466),new P0.cp(156,256.091766522),new P0.cp(157,257.095098635),new P0.cp(158,258.097069),new P0.cp(159,259.100588)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(144,245.081017),new P0.cp(145,246.081933),new P0.cp(146,247.081804),new P0.cp(147,248.082909),new P0.cp(148,249.083002),new P0.cp(149,250.084488),new P0.cp(150,251.084919),new P0.cp(151,252.08663),new P0.cp(152,253.08728),new P0.cp(153,254.089725),new P0.cp(154,255.091075196),new P0.cp(155,256.094052757),new P0.cp(156,257.095534643),new P0.cp(157,258.098425321),new P0.cp(158,259.100503),new P0.cp(159,260.103645)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(147,249.087823),new P0.cp(148,250.087493),new P0.cp(149,251.08896),new P0.cp(150,252.088965909),new P0.cp(151,253.090649),new P0.cp(152,254.090948746),new P0.cp(153,255.093232449),new P0.cp(154,256.094275879),new P0.cp(155,257.096852778),new P0.cp(156,258.0982),new P0.cp(157,259.101024),new P0.cp(158,260.102636),new P0.cp(159,261.105743),new P0.cp(160,262.10752)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(148,251.09436),new P0.cp(149,252.09533),new P0.cp(150,253.095258),new P0.cp(151,254.096587),new P0.cp(152,255.096769),new P0.cp(153,256.098763),new P0.cp(154,257.099606),new P0.cp(155,258.101883),new P0.cp(156,259.10299),new P0.cp(157,260.105572),new P0.cp(158,261.106941),new P0.cp(159,262.109692),new P0.cp(160,263.111394)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(149,253.100679),new P0.cp(150,254.100166),new P0.cp(151,255.101492),new P0.cp(152,256.101179573),new P0.cp(153,257.103072),new P0.cp(154,258.103568),new P0.cp(155,259.105628),new P0.cp(156,260.106434),new P0.cp(157,261.108752),new P0.cp(158,262.109918),new P0.cp(159,263.11254),new P0.cp(160,264.113978)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(150,255.107398),new P0.cp(151,256.10811),new P0.cp(152,257.107858),new P0.cp(153,258.109438),new P0.cp(154,259.109721),new P0.cp(155,260.111427),new P0.cp(156,261.112106),new P0.cp(157,262.114153),new P0.cp(158,263.115078),new P0.cp(159,264.117473),new P0.cp(160,265.118659)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(152,258.113151),new P0.cp(153,259.114652),new P0.cp(154,260.114435447),new P0.cp(155,261.116199),new P0.cp(156,262.116477),new P0.cp(157,263.118313),new P0.cp(158,264.118924),new P0.cp(159,265.121066),new P0.cp(160,266.121928)]),TL(FL(K0.FN,1),z3,3,0,[new P0.cp(153,260.121803),new P0.cp(154,261.1218),new P0.cp(155,262.123009),new P0.cp(156,263.123146),new P0.cp(157,264.12473),new P0.cp(158,265.125198),new 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|
|
82
|
+
P0.fp=function fp(a,b){P0.ep();var c,d;d=b-a;for(c=0;c<P0.dp[a].length;c++)if(P0.dp[a][c].b==d)return P0.dp[a][c].a;return NaN};P0.gp=function gp(a,b){var c;if(a.b.length!=b.b.length)return a.b.length<b.b.length?-1:1;for(c=0;c<a.b.length;c++)if(a.b[c]!=b.b[c])return a.b[c]<b.b[c]?-1:1;return 0};P0.hp=function hp(a){var b,c,d,e,f,g;c=0;for(e=a.a,f=0,g=e.length;f<g;++f){d=e[f];d&&++c}a.b=LL(K0.eN,H1,5,c,15,1);c=0;for(b=0;b<a.a.length;b++)a.a[b]&&(a.b[c++]=b)};P0.ip=function ip(a,b){var c;P0.hp(a);for(c=0;c<a.b.length;c++)if(b[a.b[c]])return true;return false};P0.jp=function jp(a){this.a=LL(K0.uQ,_1,5,a,16,1)};pR(124,1,{124:1,27:1},P0.jp);_.qb=function kp(a){return P0.gp(this,a)};K0.GN=IS(124);P0.op=function 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83
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d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;p=b.d;a.i=LL(K0.fN,_2,5,b.d,14,1);a.j=LL(K0.eN,H1,5,b.d,15,1);for(h=0;h<p;h++){a.i[h]=fR(BQ(YQ(P0.Yq(b,h),b.w[h]),Q3),R3);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=LL(K0.fN,_2,5,b.d,14,1);r=(P0.Js(b,7),b.n);for(o=0;o<r.i.a.length;o++){n=false;for(j=Q0.Yh(r.j,o),k=0,l=j.length;k<l;++k){m=j[k];if((b.D[m]&N2)!=0){n=true;break}}if(!n){s=Q0.Yh(r.j,o).length;for(e=Q0.Yh(r.i,o),f=0,g=e.length;f<g;++f){d=e[f];s==3?(a.A[d]=YQ(a.A[d],N1)):s==4?(a.A[d]=YQ(a.A[d],O1)):s==5?(a.A[d]=YQ(a.A[d],P1)):s==6?(a.A[d]=YQ(a.A[d],Q1)):s==7&&(a.A[d]=YQ(a.A[d],R1))}}}q=b.e;a.k=LL(K0.eN,H1,5,b.e,15,1);for(i=0;i<q;i++){a.k[i]=(P0.Zq(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&&P0.yq(b.n,i)&&(a.k[i]|=8)}};P0.mr=function mr(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;P0.Js(a.G,a.M);k=a.G.d;a.I=LL(K0.eN,H1,5,k,15,1);a.H=LL(K0.fN,_2,5,k,14,1);for(g=0;g<k;g++){a.H[g]=fR(BQ(YQ(P0.Yq(a.G,g),P0.Kj(a.G,g)),Q3),R3);a.I[g]=P0.Pj(a.G,g);(b&1)!=0&&(a.I[g]+=P0.yj(a.G,g)+16<<8);(b&2)!=0&&(a.I[g]+=P0.Ij(a.G,g)<<16)}a.L=LL(K0.fN,_2,5,k,14,1);m=P0.pn(a.G);for(j=0;j<m.i.a.length;j++){n=Q0.Yh(m.j,j).length;for(d=Q0.Yh(m.i,j),e=0,f=d.length;e<f;++e){h=d[e];n==3?(a.L[h]=YQ(a.L[h],N1)):n==4?(a.L[h]=YQ(a.L[h],O1)):n==5?(a.L[h]=YQ(a.L[h],P1)):n==6?(a.L[h]=YQ(a.L[h],Q1)):n==7&&(a.L[h]=YQ(a.L[h],R1))}}for(c=0;c<k;c++){n=P0.Km(a.G,c);n==0?(a.L[c]=YQ(a.L[c],M1)):n>7&&(a.L[c]=YQ(a.L[c],S1))}l=a.G.e;a.J=LL(K0.eN,H1,5,l,15,1);for(i=0;i<l;i++)a.J[i]=(P0.Zq(a.G,i)|P0.ck(a.G,i))&6422527^6291840};P0.nr=function nr(a,b,c,d,e,f,g){var h,i;h=P0.Pm(a.g,a.r[b],d);if((!a.C[h]||a.f[h]==g)&&h!=a.t[b]){i=P0.Rm(a.g,a.r[b],d);if(!f[i]&&!P0.wk(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};P0.or=function or(){this.c=8;this.N=new Q0.r_(new Y0.YI)};P0.pr=function pr(a,b){var c;c=LL(K0.eN,H1,5,b,15,1);L0.NU(a,0,c,0,$wnd.Math.min(a.length,b));return c};P0.qr=function qr(a,b){var c;c=LL(K0.uQ,_1,5,b,16,1);L0.NU(a,0,c,0,$wnd.Math.min(a.length,b));return c};pR(92,1,{},P0.or);_.c=0;_.d=0;_.o=0;_.p=0;_.q=false;_.v=0;_.w=0;_.K=false;_.M=0;_.O=false;K0.PN=IS(92);P0.rr=function rr(){};pR(109,1,{109:1},P0.rr);_.a=0;_.b=0;_.c=0;_.d=0;K0.NN=IS(109);
|
|
84
|
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P0.Lq(a.i,3);v=LL(K0.uQ,_1,5,K.i.a.length,16,1);for(G=0;G<K.i.a.length;G++){I=Q0.Yh(K.i,G);v[G]=true;for(q=0;q<I.length;q++){if(!P0.Dk(a.i,I[q])){v[G]=false;break}}if(v[G]){for(r=0;r<I.length;r++)w[I[r]]=true;J=Q0.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]&A1)!=0&&P0.Dk(a.i,P0.Uj(a.i,0,l))&&P0.Dk(a.i,P0.Uj(a.i,1,l))&&P0.cs(a,l)}for(m=0;m<a.i.e;m++){if(!a.f[m]){e=P0.Uj(a.i,0,m);f=P0.Uj(a.i,1,m);if(!w[e]&&!w[f]&&P0.Dk(a.i,e)&&P0.Dk(a.i,f)){a.f[m]=true;++a.c}}}P0.Js(a.i,7);u=LL(K0.uQ,_1,5,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=Q0.Yh(K.i,H);for(p=0;p<I.length;p++){if(!P0.ps(a,I[p])){if(P0.Dk(a.i,I[p])){P0.kl(a.i,I[p],false);--a.b}for(B=0;B<P0.Qm(a.i,I[p]);B++){o=P0.Rm(a.i,I[p],B);if(a.f[o]){a.f[o]=false;--a.c}}}}}}P0.os(a);for(F=0;F<K.i.a.length;F++){if(v[F]&&Q0.Yh(K.j,F).length==6){J=Q0.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){P0.ns(a,J[0]);P0.ns(a,J[2]);P0.ns(a,J[4]);P0.os(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=P0.Uj(a.i,p,g);for(B=0;B<P0.Qm(a.i,n);B++)a.f[P0.Rm(a.i,n,B)]&&++c}if(c==D){P0.ns(a,g);P0.os(a);C=true;break}}}}while(C)}while(a.b>=2)if(!P0.fs(a,u))break;if(b){if(a.b!=0){for(d=0;d<a.i.d;d++){if(P0.Dk(a.i,d)){P0.kl(a.i,d,false);P0.nl(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;P0.El(a.i,g,64);--a.c}}}}else{for(d=0;d<a.i.d;d++){if(P0.Dk(a.i,d)&&P0.bn(a.i,d)!=0){P0.kl(a.i,d,false);P0.ol(a.i,d,32);--a.b}}}if(a.b!=0)throw zQ(new L0.CJ(U3));if(a.c!=0)throw zQ(new L0.CJ(U3))};
|
|
85
|
+
P0.js=function js(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;a.i=b;P0.gj(a.i);!!a.n&&L0.YR(a.n,0);a.b=0;i=a.k!=0;fb=null;p=LL(K0.eN,H1,5,32,15,1);p[0]=-1;lb=LL(K0.eN,H1,5,16,15,1);ob=LL(K0.eN,H1,5,16,15,1);nb=LL(K0.eN,H1,5,16,15,1);mb=LL(K0.eN,H1,5,16,15,1);for(M=0;M<16;M++)lb[M]=-1;m=0;H=-1;rb=false;P=false;qb=false;u=0;s=1;r=0;l=new Y0.cJ;gb=new P0.Cs(c);while(c[d]<=32)++d;while(d<e){tb=c[d++]&A1;if(uS(tb)||tb==42||tb==63||tb==33&&i&&rb||tb==35&&i&&rb){o=-1;w=0;W=0;h=-1;F=-1;eb=false;O=false;n=0;if(rb){if(tb==42){o=6;n=dR(YQ(K0.JQ(n),1))}else if(tb==63){o=0}else if(tb==35){Z=0;while(d<e&&tS(c[d]&A1)){Z=10*Z+c[d]-48;++d}if(Z<1||Z>=(P0.Ri(),P0.Li).length)throw zQ(new L0.CJ('SmilesParser: Atomic number out of range.'));o=Z}else{Q=tb==33;if(Q){qb=true;n=dR(YQ(K0.JQ(n),1));++d}if(c[d-1]==82&&i&&(tS(c[d]&A1)||a.a&&c[d]==123)){o=6;n=dR(YQ(K0.JQ(n),1));--d;Q&&--d}else{R=xS(c[d]&A1)==(c[d]&A1)&&uS(c[d]&A1)?2:1;o=(P0.Ri(),P0.gm(L0.sU(O0.i0(c,d-1,(T=R,O0.f0(),T))),321));if(o==-1){o=6;n=dR(YQ(K0.JQ(n),1));--d}else{d+=R-1;F=9;if(i&&(c[d]==44||Q)){ub=false;V=false;sb=d-R;for(bb=sb;bb<c.length;bb++){if(!uS(c[bb]&A1)){Y=P0.gm(L0.sU(O0.i0(c,sb,(S=bb-sb,S))),321);if(Y!=0){Y0.aJ(l,L0.JT(Y));yS(c[sb]&A1)==(c[sb]&A1)&&uS(c[sb]&A1)?(ub=true):(V=true)}sb=bb+1;if(c[bb]!=44)break;if(c[bb+1]==33){if(!Q)throw zQ(new L0.CJ("SmilesParser: inconsistent '!' in atom list."));++bb;++sb}}}if(l.a.a.length>1){F=-1;ub?V||(n=dR(YQ(K0.JQ(n),4))):(n=dR(YQ(K0.JQ(n),2)))}d=sb-1}}}}while(rb){if(c[d]==64){++d;if(c[d]==64){O=true;++d}eb=true;continue}if(c[d]==58){++d;while(tS(c[d]&A1)){W=10*W+c[d]-48;++d}continue}if(c[d]==91)throw zQ(new L0.CJ('SmilesParser: nested square brackets found'));if(c[d]==93){++d;rb=false;continue}if(c[d]==43){w=1;++d;while(c[d]==43){++w;++d}if(w==1&&tS(c[d]&A1)){w=c[d]-48;++d}w==0&&(n=dR(YQ(K0.JQ(n),o2)));continue}if(c[d]==45){w=-1;++d;while(c[d]==45){--w;++d}if(w==-1&&tS(c[d]&A1)){w=48-c[d];++d}w==0&&(n=dR(YQ(K0.JQ(n),o2)));continue}Q=c[d]==33;Q&&++d;if(c[d]==72){++d;d+=P0.zs(gb,c,d,1);F=gb.c;G=0;gb.c<=0&&gb.b>=0&&(G=dR(YQ(K0.JQ(G),128)));gb.c<=1&&gb.b>=1&&(G=dR(YQ(K0.JQ(G),256)));gb.c<=2&&gb.b>=2&&(G=dR(YQ(K0.JQ(G),512)));gb.c<=3&&gb.b>=3&&(G=dR(YQ(K0.JQ(G),m2)));if(Q){n|=G;F=-1}else{if(gb.b==gb.c){F=gb.c}else{n=dR(YQ(K0.JQ(n),BQ(l2,K0.JQ(~G))));F=-1}}continue}if(c[d]==68){++d;d+=P0.zs(gb,c,d,1);G=0;gb.c<=0&&gb.b>=0&&(G=YQ(G,b3));gb.c<=1&&gb.b>=1&&(G=YQ(G,T2));gb.c<=2&&gb.b>=2&&(G=YQ(G,S2));gb.c<=3&&gb.b>=3&&(G=YQ(G,d3));gb.c<=4&&gb.b>=4&&(G=YQ(G,t2));if(GQ(G,0)!=0){Q||(G=fR(G,s2));n=dR(YQ(K0.JQ(n),G))}continue}if(c[d]==122&&a.a){++d;d+=P0.zs(gb,c,d,4);G=0;gb.c<=0&&gb.b>=0&&(G=YQ(G,D2));gb.c<=1&&gb.b>=1&&(G=YQ(G,V3));gb.c<=2&&gb.b>=2&&(G=YQ(G,W3));gb.c<=3&&gb.b>=3&&(G=YQ(G,X3));gb.c<=4&&gb.b>=4&&(G=YQ(G,C2));if(GQ(G,0)!=0){Q||(G=fR(G,x2));n=dR(YQ(K0.JQ(n),G))}continue}if(c[d]==88){++d;d+=P0.zs(gb,c,d,1);Ab=(P0.Ri(),P0.Mi)[o];if(Ab==null)continue;wb=Ab[0];G=0;wb-gb.c<=0&&wb-gb.b>=0&&(G=YQ(G,g2));wb-gb.c<=1&&wb-gb.b>=1&&(G=YQ(G,r3));wb-gb.c<=2&&wb-gb.b>=2&&(G=YQ(G,z1));if(GQ(G,0)!=0){Q||(G=fR(G,r2));n=dR(YQ(K0.JQ(n),G))}continue}if(c[d]==65||c[d]==97){++d;n=dR(YQ(K0.JQ(n),Q^c[d]==65?4:2));continue}if(c[d]==82){++d;d+=P0.zs(gb,c,d,3);G=0;gb.c<=0&&gb.b>=0&&(G=YQ(G,8));gb.c<=1&&gb.b>=1&&(G=YQ(G,16));gb.c<=2&&gb.b>=2&&(G=YQ(G,32));gb.c<=3&&gb.b>=3&&(G=YQ(G,64));gb.b>3&&P0.rs(a,(Q?'!R':'R')+gb.b);if(GQ(G,0)!=0){Q||(G=fR(G,120));n=dR(YQ(K0.JQ(n),G))}continue}if(c[d]==114){++d;d+=P0.zs(gb,c,d,1);if(gb.a){Q?(n=dR(YQ(K0.JQ(n),384))):(n=dR(YQ(K0.JQ(n),8)));continue}pb=gb.c;gb.b>gb.c&&P0.rs(a,(Q?'!r':'r')+('{'+gb.c+'-'+gb.b+'}'));!Q&&pb>=3&&pb<=7?(n|=pb<<22):gb.b>gb.c||P0.rs(a,(Q?'!r':'r')+pb);continue}if(c[d]==118){++d;d+=P0.zs(gb,c,d,1);wb=gb.c;gb.b>gb.c&&P0.rs(a,(Q?'!v':'v')+('{'+gb.c+'-'+gb.b+'}'));!Q&&wb<=14?(h=wb):gb.b>gb.c||P0.rs(a,(Q?'!v':'v')+wb);continue}if(i&&(c[d]==59||c[d]==38)){qb=true;++d;continue}throw zQ(new L0.CJ("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&A1)+"'"))}}else if(tb==42){o=6;n=dR(YQ(K0.JQ(n),1))}else if(tb==63){o=0}else if((tb==65||tb==97)&&i){o=6;n=dR(YQ(K0.JQ(n),1));n=dR(YQ(K0.JQ(n),tb==65?4:2));qb=true}else{switch(yS(tb)){case 66:if(d<e&&c[d]==114){o=35;++d}else o=5;break;case 67:if(d<e&&c[d]==108){o=17;++d}else o=6;break;case 70:o=9;break;case 73:o=53;break;case 78:o=7;break;case 79:o=8;break;case 80:o=15;break;case 83:o=16;}}if(o==-1&&tb!=63)throw zQ(new L0.CJ('SmilesParser: unknown element label found'));k=P0.Ti(a.i,o);P0.bl(a.i,k,w);P0.jl(a.i,k,W,false);P0._k(a.i,k,h);if(n!=0){qb=true;if(WQ(BQ(K0.JQ(n),2),0)){n=dR(BQ(K0.JQ(n),-3));P0.kl(a.i,k,true);++a.b}else{P0.kl(a.i,k,false)}P0.nl(a.i,k,K0.JQ(n),true)}if(l.a.a.length!=0){qb=true;U=LL(K0.eN,H1,5,l.a.a.length,15,1);for(L=0;L<l.a.a.length;L++)U[L]=(L<0?null:Q0.Yh(l.a,L)).a;P0.hl(a.i,k,U);O0.F0(l.a.a).length=0}else{if(xS(tb)==tb&&uS(tb)){if(o!=5&&o!=6&&o!=7&&o!=8&&o!=15&&o!=16&&o!=33&&o!=34)throw zQ(new L0.CJ('SmilesParser: atomicNo '+o+' must not be aromatic'));P0.kl(a.i,k,true);++a.b}else{P0.kl(a.i,k,false)}}if(F!=-1&&o!=1){v=LL(K0.aN,a3,5,1,15,1);v[0]=(F==9?0:F)<<24>>24;P0.fl(a.i,k,v)}H=p[u];if(p[u]!=-1&&s!=512){q=P0.Vi(a.i,p[u],k,s);if(r!=0){qb=true;P0.Dl(a.i,q,r,true)}}s=1;r=0;p[u]=k;if(m!=0){P0.ll(a.i,k,m);m=0}if(g){cb=!fb?null:Q0.EY(fb,L0.JT(H));!!cb&&P0.vs(cb,k,d);if(eb){!fb&&(fb=new Q0.B$);K=F==9?0:F;Q0.t$(fb,L0.JT(k),new P0.ys(k,d-2,H,K,O))}}continue}if(tb==46){p[u]=-1;s=512;continue}if(tb==45||tb==61||tb==35||tb==36||tb==58||tb==47||tb==92||tb==60||tb==126||tb==33||tb==64){if(rb)throw zQ(new L0.CJ("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(tb)+"'"));C=0;while(tb==45||tb==61||tb==35||tb==36||tb==58||tb==47||tb==92||tb==60||tb==126||tb==33||tb==64){if(tb==33){tb=c[d++]&A1;tb==64&&(r|=128);if(tb==45&&c[d]==62||tb==60&&c[d]==45){C|=32;++d}else if(tb==45)C|=1;else if(tb==61)C|=2;else if(tb==35)C|=4;else if(tb==36)C|=32;else if(tb==58)C|=8;else throw zQ(new L0.CJ("SmilesParser: bond symbol '"+String.fromCharCode(tb)+"' not allowed after '!'."))}else{if(tb==64)r|=256;else if(tb==61)s=2;else if(tb==35)s=4;else if(tb==36)s=8;else if(tb==58)s=64;else if(tb==126)r|=31;else if(tb==47){g&&(s=257)}else if(tb==92){g&&(s=129)}else if(tb==45&&c[d]==62||tb==60&&c[d]==45){s=32;++d}if(c[d]==44){r|=(s==32?62:tb)==61?2:(s==32?62:tb)==35?4:(s==32?62:tb)==36?32:(s==32?62:tb)==58?8:(s==32?62:tb)==62?16:(s==32?62:tb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){r|=16;d+=3}else{r|=P0.es(c[d+1]&A1);d+=2}}}}if(c[d]==59){++d;tb=c[d++]&A1;continue}C!=0&&(r|=31&~C);break}continue}if(tb<=32){d=e;continue}if(tS(tb)){Z=tb-48;if(rb){while(d<e&&tS(c[d]&A1)){Z=10*Z+c[d]-48;++d}m=Z}else{t=P?d-3:d-2;J=c[t]==45||c[t]==47||c[t]==92||c[t]==61||c[t]==35||c[t]==36||c[t]==58||c[t]==62||c[t]==126;if(P&&d<e&&tS(c[d]&A1)){Z=10*Z+c[d]-48;P=false;++d}if(Z>=lb.length){if(Z>=100)throw zQ(new L0.CJ('SmilesParser: ringClosureAtom number out of range'));$=lb.length;X=lb.length;while(X<=Z)X=$wnd.Math.min(100,X+16);lb=(O0.t0(X),Q0.mZ(lb,LL(K0.eN,H1,5,X,15,1),X));ob=(O0.t0(X),Q0.mZ(ob,LL(K0.eN,H1,5,X,15,1),X));nb=(O0.t0(X),Q0.mZ(nb,LL(K0.eN,H1,5,X,15,1),X));mb=(O0.t0(X),Q0.mZ(mb,LL(K0.eN,H1,5,X,15,1),X));for(L=$;L<X;L++)lb[L]=-1}if(lb[Z]==-1){lb[Z]=p[u];ob[Z]=d-1;nb[Z]=J?s:-1;mb[Z]=J?r:0}else{if(lb[Z]==p[u])throw zQ(new L0.CJ('SmilesParser: ring closure to same atom'));if(g&&!!fb){cb=Q0.EY(fb,L0.JT(lb[Z]));!!cb&&P0.vs(cb,p[u],ob[Z]);cb=Q0.EY(fb,L0.JT(p[u]));!!cb&&P0.vs(cb,lb[Z],d-1)}nb[Z]!=-1?(s=nb[Z]):s==257?(s=129):s==129&&(s=257);q=P0.Vi(a.i,lb[Z],p[u],s);mb[Z]!=0&&(r=mb[Z]);if(r!=0){qb=true;P0.Dl(a.i,q,mb[Z],true)}lb[Z]=-1}s=1;r=0}continue}if(tb==43){throw zQ(new L0.CJ("SmilesParser: '+' found outside brackets"))}if(tb==40){if(p[u]==-1)throw zQ(new L0.CJ('Smiles with leading parenthesis are not 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|
86
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+
S0.Zt=function Zt(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=TL(FL(K0.cN,2),m1,15,0,[TL(FL(K0.cN,1),L2,5,15,[20]),null,null,TL(FL(K0.cN,1),L2,5,15,[0,10]),null,null,TL(FL(K0.cN,1),L2,5,15,[-4,12]),TL(FL(K0.cN,1),L2,5,15,[0,0,-7.5]),null,null,null,null,TL(FL(K0.cN,1),L2,5,15,[8,-8]),null,null,null,TL(FL(K0.cN,1),L2,5,15,[-2.4])]);l=TL(FL(K0.eN,2),Z2,6,0,[TL(FL(K0.eN,1),H1,5,15,[146]),TL(FL(K0.eN,1),H1,5,15,[627]),null,TL(FL(K0.eN,1),H1,5,15,[2457,1170]),null,TL(FL(K0.eN,1),H1,5,15,[2451,8643,2519]),TL(FL(K0.eN,1),H1,5,15,[9362,14798]),TL(FL(K0.eN,1),H1,5,15,[34377,-2147448999,26214]),null,TL(FL(K0.eN,1),H1,5,15,[37449,137313,95703,34371,37815,54891,132867,-2147309741,54857,55129,-2147449005,-2147449065]),null,TL(FL(K0.eN,1),H1,5,15,[530697,531819,899169,137289,694617,-2146951863,-2146952797,-2146939175,-2146929547,-2146929564,-2146625111,-2146931799,-2146940503,-2146931935]),TL(FL(K0.eN,1),H1,5,15,[1007293,610915]),TL(FL(K0.eN,1),H1,5,15,[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,TL(FL(K0.eN,1),H1,5,15,[8487297,2172633,2116611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8829813]),TL(FL(K0.eN,1),H1,5,15,[14071213])]);s=1<<b.e.length;g=0;i=0;if(b.e.length>7){for(n=0;n<b.e.length;n++){h=S0.fu(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=(u1&l[v][C])==0;j=r1&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]+$wnd.Math.cos(f);(j&1)==0&&(B=!B);f+=m+(B?P2:a4);j>>>=1}return}(j&1)!=0&&(j|=s);j>>>=1}}}}S0.au(b,g,i)};S0.$t=function 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S0._u(S0.bv(q,u,o,s),(0.5-i)/2);continue}}if(k>0){j=S0.Gu(f,k);a.a[b]+=j.b*$wnd.Math.sin(j.a);a.b[b]+=j.b*$wnd.Math.cos(j.a)}};S0.vv=function vv(a,b,c,d){var e,f,g;for(g=0;g<a.e.length;g++){f=$wnd.Math.sqrt((a.a[g]-b)*(a.a[g]-b)+(a.b[g]-c)*(a.b[g]-c));e=S0.bv(b,c,a.a[g],a.b[g])+d;a.a[g]=b+f*$wnd.Math.sin(e);a.b[g]=c+f*$wnd.Math.cos(e)}};S0.wv=function wv(a,b,c){var d;for(d=0;d<a.e.length;d++){a.a[d]+=b;a.b[d]+=c}};S0.xv=function xv(a,b,c){this.j=a;this.i=c;this.e=LL(K0.eN,H1,5,b,15,1);this.k=LL(K0.eN,H1,5,b,15,1);this.a=LL(K0.cN,L2,5,b,15,1);this.b=LL(K0.cN,L2,5,b,15,1)};S0.yv=function yv(a){var b,c;this.j=a.j;this.i=a.i;this.e=LL(K0.eN,H1,5,a.e.length,15,1);this.k=LL(K0.eN,H1,5,a.e.length,15,1);this.a=LL(K0.cN,L2,5,a.e.length,15,1);this.b=LL(K0.cN,L2,5,a.e.length,15,1);for(c=0;c<a.e.length;c++){this.e[c]=a.e[c];this.k[c]=a.k[c];this.a[c]=a.a[c];this.b[c]=a.b[c]}if(a.f!=null){this.f=LL(K0.eN,H1,5,a.f.length,15,1);for(b=0;b<a.f.length;b++)this.f[b]=a.f[b]}if(a.g!=null){this.g=LL(K0.eN,H1,5,a.g.length,15,1);for(b=0;b<a.g.length;b++)this.g[b]=a.g[b]}};pR(29,1,{29:1},S0.xv,S0.yv);_.c=0;_.i=false;K0.jO=IS(29);S0.zv=function zv(a){this.b=a;this.c=false};pR(127,1,{127:1},S0.zv);_.a=0;_.c=false;K0.kO=IS(127);pR(182,1,{});K0.lO=IS(182);T0.Av=function Av(a){};T0.Bv=function Bv(a){var b,c,d;b=0;c=0;for(d=0;d<a.g.a.length+a.f.a.length;d++){b+=P0.Qj(d<a.g.a.length?Q0.Yh(a.g,d):Q0.Yh(a.f,d-a.g.a.length))*(d<a.g.a.length?Q0.Yh(a.g,d):Q0.Yh(a.f,d-a.g.a.length)).p;c+=(d<a.g.a.length?Q0.Yh(a.g,d):Q0.Yh(a.f,d-a.g.a.length)).p}if(c!=0)return c/b;return 1};T0.Cv=function Cv(b,c){var 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|
|
87
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+
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true};T0.Gv=function Gv(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o;j=L0.oU(e1.MR(b));O0.F0(j).length!=0&&(a.e=j);e1.MR(b);d=e1.MR(b);if(!c&&L0.bU(O0.F0(d).substr(0,13),e4)){e=(O0.C0(13,O0.F0(d).length+1),O0.F0(d).substr(13));if(U0.Bw(e,a))return true}o=e1.MR(b);g=new P0.Xp;if(o!=null&&L0.bU(O0.F0(o).substr(0,13),'M V30 COUNTS')){n=L0.oU((O0.C0(13,O0.F0(o).length+1),O0.F0(o).substr(13)));k=L0.lU(n);m=L0._S(k[0]);l=L0._S(k[1]);if(m>0){o=e1.MR(b);if(L0.bU('M V30 BEGIN REACTANT',o)){for(f=0;f<m;f++){h=new P0.$s;i=new L0.yU;i.a+=h4;do{o=e1.MR(b);i.a+=''+o;i.a+=l1}while(o!=null&&!L0.bU(O0.F0(o).substr(0,15),i4));P0.Tp(g,h,new e1.NR(new e1.RR(i.a)));Q0.Th(a.g,h);a.d=-1}}o=e1.MR(b)}if(l>0){o=e1.MR(b);if(L0.bU('M V30 BEGIN PRODUCT',o)){for(f=0;f<l;f++){h=new P0.$s;i=new L0.yU;i.a+=h4;do{o=e1.MR(b);i.a+=''+o;i.a+=l1}while(o!=null&&!L0.bU(O0.F0(o).substr(0,15),i4));P0.Tp(g,h,new e1.NR(new e1.RR(i.a)));Q0.Th(a.f,h);a.d=-1}o=e1.MR(b)}}return true}return false};T0.Hv=function Hv(a){};T0.Iv=function Iv(a){var b,c,d;b=0;c=0;for(d=0;d<a.g.a.length+a.f.a.length;d++){b+=P0.Qj(d<a.g.a.length?Q0.Yh(a.g,d):Q0.Yh(a.f,d-a.g.a.length))*(d<a.g.a.length?Q0.Yh(a.g,d):Q0.Yh(a.f,d-a.g.a.length)).p;c+=(d<a.g.a.length?Q0.Yh(a.g,d):Q0.Yh(a.f,d-a.g.a.length)).p}if(c!=0)return c/b;return 1};T0.Jv=function Jv(b,c){var d,e,f,g,h,i;T0.Hv(this);g=new U0.tw(b);try{i=new e1.TR;L0.wU(i.a,'$RXN V3000\n');L0.wU(i.a,c!=null?c:'');L0.wU(i.a,'\n\n');e1.SR(i,e4+U0.Cw(b,11));L0.wU(i.a,l1);f=g.g.a.length;e=g.f.a.length;L0.wU(i.a,(O0.B0(f,f+e,O0.F0(J3+f+' '+e+l1).length),O0.F0(J3+f+' '+e+l1).substr(f,f+e-f)));h=T0.Iv(g);if(f>0){L0.wU(i.a,'M V30 BEGIN REACTANT\n');for(d=0;d<g.g.a.length;d++){e1.SR(i,P0.fq(Q0.Yh(g.g,d),h))}L0.wU(i.a,'M V30 END REACTANT\n')}if(e>0){L0.wU(i.a,'M V30 BEGIN PRODUCT\n');for(d=0;d<g.f.a.length;d++){e1.SR(i,P0.fq(Q0.Yh(g.f,d),h))}L0.wU(i.a,'M V30 END PRODUCT\n')}L0.wU(i.a,E3);this.a=i.a}catch(a){a=yQ(a);if(SM(a,13)){L0.MU();String.fromCharCode(10)}else throw 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88
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89
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90
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b,c,d;b=~K0.cM(a)+1&u3;c=~K0.dM(a)+(b==0?1:0)&u3;d=~K0.bM(a)+(b==0&&c==0?1:0)&n4;K0.mM(a,b);K0.nM(a,c);K0.lM(a,d)};K0.gM=function gM(a){var b,c;c=GT(K0.bM(a));if(c==32){b=GT(K0.dM(a));return b==32?GT(K0.cM(a))+32:b+20-10}else{return c-12}};K0.hM=function hM(a){var b,c,d;c=K0.cM(a);if((c&c-1)!=0){return -1}d=K0.dM(a);if((d&d-1)!=0){return -1}b=K0.bM(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 HT(c)}if(b==0&&d!=0&&c==0){return HT(d)+22}if(b!=0&&d==0&&c==0){return HT(b)+44}return -1};K0.iM=function iM(a,b){a.h|=1<<b};K0.jM=function jM(a,b){a.l|=1<<b};K0.kM=function kM(a,b){a.m|=1<<b};K0.lM=function lM(a,b){a.h=b};K0.mM=function mM(a,b){a.l=b};K0.nM=function nM(a,b){a.m=b};K0.oM=function oM(a){return K0.cM(a)+K0.dM(a)*P3+K0.bM(a)*o4};K0.pM=function pM(a){var b,c,d;c=K0.dM(a);d=K0.bM(a);b=K0.cM(a);K0.lM(a,d>>>1);K0.nM(a,c>>>1|(d&1)<<21);K0.mM(a,b>>>1|(c&1)<<21)};K0.qM=function qM(a,b){var c,d,e;e=K0.bM(a)-K0.bM(b);if(e<0){return false}c=K0.cM(a)-K0.cM(b);d=K0.dM(a)-K0.dM(b)+(c>>22);e+=d>>22;if(e<0){return false}K0.mM(a,c&u3);K0.nM(a,d&u3);K0.lM(a,e&n4);return true};K0.rM=function rM(a,b){var c,d,e;c=K0.cM(a)+K0.cM(b);d=K0.dM(a)+K0.dM(b)+(c>>22);e=K0.bM(a)+K0.bM(b)+(d>>22);return K0.YL(c&u3,d&u3,e&n4)};K0.sM=function sM(a,b){return K0.YL(K0.cM(a)&K0.cM(b),K0.dM(a)&K0.dM(b),K0.bM(a)&K0.bM(b))};K0.uM=function uM(a,b){var c,d,e,f,g,h,i,j;i=K0.bM(a)>>19;j=K0.bM(b)>>19;if(i!=j){return j-i}e=K0.bM(a);h=K0.bM(b);if(e!=h){return e-h}d=K0.dM(a);g=K0.dM(b);if(d!=g){return d-g}c=K0.cM(a);f=K0.cM(b);return c-f};K0.vM=function vM(a){var b,c,d,e,f;if(isNaN(a)){return K0.MM(),K0.LM}if(a<-9223372036854775808){return K0.MM(),K0.JM}if(a>=9223372036854775807){return K0.MM(),K0.IM}e=false;if(a<0){e=true;a=-a}d=0;if(a>=o4){d=_M(a/o4);a-=d*o4}c=0;if(a>=P3){c=_M(a/P3);a-=c*P3}b=_M(a);f=K0.YL(b,c,d);e&&K0.fM(f);return f};K0.wM=function wM(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=K0.cM(a)&8191;d=K0.cM(a)>>13|(K0.dM(a)&15)<<9;e=K0.dM(a)>>4&8191;f=K0.dM(a)>>17|(K0.bM(a)&255)<<5;g=(K0.bM(a)&1048320)>>8;h=K0.cM(b)&8191;i=K0.cM(b)>>13|(K0.dM(b)&15)<<9;j=K0.dM(b)>>4&8191;k=K0.dM(b)>>17|(K0.bM(b)&255)<<5;l=(K0.bM(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&=n4;return K0.YL(m,p,u)};K0.xM=function xM(a){var b,c,d;b=~K0.cM(a)+1&u3;c=~K0.dM(a)+(b==0?1:0)&u3;d=~K0.bM(a)+(b==0&&c==0?1:0)&n4;return K0.YL(b,c,d)};K0.yM=function yM(a){return K0.YL(~K0.cM(a)&u3,~K0.dM(a)&u3,~K0.bM(a)&n4)};K0.zM=function zM(a,b){return K0.YL(K0.cM(a)|K0.cM(b),K0.dM(a)|K0.dM(b),K0.bM(a)|K0.bM(b))};K0.AM=function AM(a,b){var c,d,e;b&=63;if(b<22){c=K0.cM(a)<<b;d=K0.dM(a)<<b|K0.cM(a)>>22-b;e=K0.bM(a)<<b|K0.dM(a)>>22-b}else if(b<44){c=0;d=K0.cM(a)<<b-22;e=K0.dM(a)<<b-22|K0.cM(a)>>44-b}else{c=0;d=0;e=K0.cM(a)<<b-44}return K0.YL(c&u3,d&u3,e&n4)};K0.BM=function BM(a,b){var c,d,e,f,g;b&=63;c=K0.bM(a);d=(c&S2)!=0;d&&(c|=-1048576);if(b<22){g=c>>b;f=K0.dM(a)>>b|c<<22-b;e=K0.cM(a)>>b|K0.dM(a)<<22-b}else if(b<44){g=d?n4:0;f=c>>b-22;e=K0.dM(a)>>b-22|c<<44-b}else{g=d?n4:0;f=d?u3:0;e=c>>b-44}return K0.YL(e&u3,f&u3,g&n4)};K0.CM=function CM(a,b){var c,d,e,f;b&=63;c=K0.bM(a)&n4;if(b<22){f=c>>>b;e=K0.dM(a)>>b|c<<22-b;d=K0.cM(a)>>b|K0.dM(a)<<22-b}else if(b<44){f=0;e=c>>>b-22;d=K0.dM(a)>>b-22|K0.bM(a)<<44-b}else{f=0;e=0;d=c>>>b-44}return K0.YL(d&u3,e&u3,f&n4)};K0.DM=function DM(a,b){var c,d,e;c=K0.cM(a)-K0.cM(b);d=K0.dM(a)-K0.dM(b)+(c>>22);e=K0.bM(a)-K0.bM(b)+(d>>22);return K0.YL(c&u3,d&u3,e&n4)};K0.EM=function EM(a){if(K0.uM(a,(K0.MM(),K0.LM))<0){return -K0.oM(K0.xM(a))}return K0.cM(a)+K0.dM(a)*P3+K0.bM(a)*o4};K0.FM=function FM(a){return K0.cM(a)|K0.dM(a)<<22};K0.GM=function GM(a){var b,c,d,e,f;if(K0.cM(a)==0&&K0.dM(a)==0&&K0.bM(a)==0){return '0'}if(K0.bM(a)==S2&&K0.dM(a)==0&&K0.cM(a)==0){return '-9223372036854775808'}if(K0.bM(a)>>19!=0){return '-'+K0.GM(K0.xM(a))}c=a;d='';while(!(K0.cM(c)==0&&K0.dM(c)==0&&K0.bM(c)==0)){e=K0.WL(p4);c=K0.ZL(c,e,true);b=''+K0.FM(K0.VL);if(!(K0.cM(c)==0&&K0.dM(c)==0&&K0.bM(c)==0)){f=9-O0.F0(b).length;for(;f>0;f--){b='0'+b}}d=b+d}return d};K0.HM=function HM(a,b){return K0.YL(K0.cM(a)^K0.cM(b),K0.dM(a)^K0.dM(b),K0.bM(a)^K0.bM(b))};K0.MM=function MM(){K0.MM=rR;K0.IM=K0.YL(u3,u3,524287);K0.JM=K0.YL(0,0,S2);K0.KM=K0.WL(1);K0.WL(2);K0.LM=K0.WL(0)};function AQ(a,b){var c;if(K0.QQ(a)&&K0.QQ(b)){c=K0.DQ(K0.EQ(a))+K0.DQ(K0.EQ(b));if(q4<c&&c<o4){return K0.JQ(c)}}return K0.IQ(K0.rM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b)))}
|
|
91
|
+
function BQ(a,b){return K0.IQ(K0.sM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b)))}
|
|
92
|
+
K0.CQ=function CQ(a){return a};K0.DQ=function DQ(a){return a};K0.EQ=function EQ(a){return a};K0.FQ=function FQ(a){return a|0};function GQ(a,b){var c;if(K0.QQ(a)&&K0.QQ(b)){c=K0.DQ(K0.EQ(a))-K0.DQ(K0.EQ(b));if(!isNaN(c)){return c}}return K0.uM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b))}
|
|
93
|
+
K0.HQ=function HQ(a){return a};K0.IQ=function IQ(a){var b;b=K0.bM(a);if(b==0){return K0.JQ(K0.cM(a)+K0.dM(a)*P3)}if(b==n4){return K0.JQ(K0.cM(a)+K0.dM(a)*P3-o4)}return K0.HQ(a)};K0.JQ=function JQ(a){return a};function KQ(a,b){var c;if(K0.QQ(a)&&K0.QQ(b)){c=K0.DQ(K0.EQ(a))/K0.DQ(K0.EQ(b));if(q4<c&&c<o4){return K0.JQ(c<0?$wnd.Math.ceil(c):$wnd.Math.floor(c))}}return K0.IQ(K0.ZL(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b),false))}
|
|
94
|
+
function LQ(a,b){return GQ(a,b)==0}
|
|
95
|
+
function MQ(a){if(q4<a&&a<o4){return K0.JQ(a<0?$wnd.Math.ceil(a):$wnd.Math.floor(a))}return K0.IQ(K0.vM(a))}
|
|
96
|
+
function NQ(a){return K0.JQ(a)}
|
|
97
|
+
function OQ(a,b){return GQ(a,b)>0}
|
|
98
|
+
function PQ(a,b){return GQ(a,b)>=0}
|
|
99
|
+
K0.QQ=function QQ(a){return typeof a===p1};function RQ(a,b){return GQ(a,b)<0}
|
|
100
|
+
function SQ(a,b){return GQ(a,b)<=0}
|
|
101
|
+
function TQ(a,b){var c;if(K0.QQ(a)&&K0.QQ(b)){c=K0.DQ(K0.EQ(a))%K0.DQ(K0.EQ(b));if(q4<c&&c<o4){return K0.JQ(c)}}return K0.IQ((K0.ZL(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b),true),K0.VL))}
|
|
102
|
+
function UQ(a,b){var c;if(K0.QQ(a)&&K0.QQ(b)){c=K0.DQ(K0.EQ(a))*K0.DQ(K0.EQ(b));if(q4<c&&c<o4){return K0.JQ(c)}}return K0.IQ(K0.wM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b)))}
|
|
103
|
+
function VQ(a){var b;if(K0.QQ(a)){b=0-K0.DQ(K0.EQ(a));if(!isNaN(b)){return K0.JQ(b)}}return K0.IQ(K0.xM(K0.CQ(a)))}
|
|
104
|
+
function WQ(a,b){return GQ(a,b)!=0}
|
|
105
|
+
function XQ(a){return K0.IQ(K0.yM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a)))}
|
|
106
|
+
function YQ(a,b){return K0.IQ(K0.zM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b)))}
|
|
107
|
+
function ZQ(a,b){return K0.IQ(K0.AM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),b))}
|
|
108
|
+
function $Q(a,b){return K0.IQ(K0.BM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),b))}
|
|
109
|
+
function _Q(a,b){return K0.IQ(K0.CM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),b))}
|
|
110
|
+
function aR(a,b){var c;if(K0.QQ(a)&&K0.QQ(b)){c=K0.DQ(K0.EQ(a))-K0.DQ(K0.EQ(b));if(q4<c&&c<o4){return K0.JQ(c)}}return K0.IQ(K0.DM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b)))}
|
|
111
|
+
K0.bR=function bR(a){var b,c,d,e;e=K0.DQ(a);d=0;if(e<0){e+=o4;d=n4}c=_M(e/P3);b=_M(e-c*P3);return K0.YL(b,c,d)};function cR(a){var b;if(K0.QQ(a)){b=K0.DQ(K0.EQ(a));return b==-0.?0:b}return K0.EM(K0.CQ(a))}
|
|
112
|
+
function dR(a){if(K0.QQ(a)){return K0.FQ(K0.DQ(K0.EQ(a)))}return K0.FM(K0.CQ(a))}
|
|
113
|
+
function eR(a){if(K0.QQ(a)){return ''+K0.DQ(K0.EQ(a))}return K0.GM(K0.CQ(a))}
|
|
114
|
+
function fR(a,b){return K0.IQ(K0.HM(K0.QQ(a)?K0.bR(K0.EQ(a)):K0.CQ(a),K0.QQ(b)?K0.bR(K0.EQ(b)):K0.CQ(b)))}
|
|
115
|
+
function yR(){b1.zR()}
|
|
116
|
+
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120
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123
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124
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125
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128
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129
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131
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f1.iV(g)};f1.nV=function nV(a,b,c){var d,e,f,g,h;f=(e=a/b,e>0?$wnd.Math.floor(e):$wnd.Math.ceil(e));g=a%b;h=hT(a*b,0);if(g!=0){d=hT($wnd.Math.abs(g)*2,$wnd.Math.abs(b));f+=f1.qV(_M(f)&1,h*(5+d),c)}return new f1.fV(f)};f1.qV=function qV(a,b,c){var d;d=0;switch(c.b){case 7:if(b!=0){throw zQ(new L0.aS('Rounding necessary'))}break;case 0:d=b==0?0:b<0?-1:1;break;case 2:d=$wnd.Math.max(b==0?0:b<0?-1:1,0);break;case 3:d=$wnd.Math.min(b==0?0:b<0?-1:1,0);break;case 4:$wnd.Math.abs(b)>=5&&(d=b==0?0:b<0?-1:1);break;case 5:$wnd.Math.abs(b)>5&&(d=b==0?0:b<0?-1:1);break;case 6:$wnd.Math.abs(b)+a>5&&(d=b==0?0:b<0?-1:1);}return d};f1.sV=function sV(a){if(GQ(a,0)==0&&2<f1.XU.length){return f1.XU[2]}return new f1.gV(a,2)};pR(12,72,{4:1,27:1,72:1,12:1},f1.eV,f1.fV,f1.gV,f1.iV);_.qb=function lV(a){return f1.$U(this,a)};_.ib=function oV(a){var b;if(this===a){return true}if(SM(a,12)){b=a;return this.e==b.e&&f1.$U(this,b)==0}return false};_.kb=function pV(){var a;if(this.b!=0){return this.b}if(this.a<54){a=MQ(this.f);this.b=dR(BQ(a,-1));this.b=33*this.b+dR(BQ($Q(a,32),-1));this.b=17*this.b+_M(this.e);return this.b}this.b=17*f1.HV(this.c)+_M(this.e);return this.b};_.lb=function rV(){return f1.dV(this)};_.a=0;_.b=0;_.d=0;_.e=0;_.f=0;K0.CP=IS(12);f1.zV=function zV(){f1.zV=rR;var a;f1.uV=new f1.QV(1,1);f1.wV=new f1.QV(1,10);f1.yV=new f1.QV(0,0);f1.tV=new f1.QV(-1,1);f1.vV=TL(FL(K0.DP,1),o3,14,0,[f1.yV,f1.uV,new f1.QV(1,2),new f1.QV(1,3),new f1.QV(1,4),new f1.QV(1,5),new f1.QV(1,6),new f1.QV(1,7),new f1.QV(1,8),new f1.QV(1,9),f1.wV]);f1.xV=LL(K0.DP,o3,14,32,0,1);for(a=0;a<f1.xV.length;a++){f1.xV[a]=PQ(ZQ(1,a),0)?f1.YV(ZQ(1,a)):f1.JV(f1.YV(VQ(ZQ(1,a))))}};f1.AV=function AV(a){};f1.BV=function BV(a,b){if(a.e>b.e){return 1}if(a.e<b.e){return -1}if(a.d>b.d){return a.e}if(a.d<b.d){return -b.e}return a.e*f1.xW(a.a,b.a,a.d)};f1.CV=function CV(a){while(a.d>0&&a.a[--a.d]==0);a.a[a.d++]==0&&(a.e=0)};f1.DV=function DV(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p;f=b.e;if(f==0){throw zQ(new L0.aS('BigInteger divide by zero'))}e=b.d;d=b.a;if(e==1){return f1.qW(a,d[0],f)}n=a.a;o=a.d;c=o!=e?o>e?1:-1:f1.xW(n,d,o);if(c<0){return TL(FL(K0.DP,1),o3,14,0,[f1.yV,a])}p=a.e;h=o-e+1;k=e;i=p==f?1:-1;g=LL(K0.eN,H1,5,h,15,1);j=f1.pW(g,h,n,o,d,e);l=new f1.SV(i,h,g);m=new f1.SV(p,k,j);f1.CV(l);f1.CV(m);return TL(FL(K0.DP,1),o3,14,0,[l,m])};f1.EV=function EV(a,b){var c;if($M(a)===$M(b)){return true}if(SM(b,14)){c=b;return a.e==c.e&&a.d==c.d&&f1.FV(a,c.a)}return false};f1.FV=function FV(a,b){var c;for(c=a.d-1;c>=0&&a.a[c]==b[c];c--);return c<0};f1.GV=function GV(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};f1.HV=function HV(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};f1.IV=function IV(a,b){if(b.e==0||a.e==0){return f1.yV}return f1.FW(),f1.GW(a,b)};
|
|
132
|
+
f1.JV=function JV(a){return a.e==0?a:new f1.SV(-a.e,a.d,a.a)};f1.KV=function KV(a,b){var c;if(b<0){throw zQ(new L0.aS('Negative exponent'))}if(b==0){return f1.uV}else if(b==1||f1.EV(a,f1.uV)||f1.EV(a,f1.yV)){return a}if(!f1.OV(a,0)){c=1;while(!f1.OV(a,c)){++c}return f1.IV(f1.ZV(c*b),f1.KV(f1.NV(a,c),b))}return f1.NW(a,b)};f1.LV=function LV(a,b){if(b==0||a.e==0){return a}return b>0?f1.dW(a,b):f1.hW(a,-b)};f1.MV=function MV(a){return a.e==0?a:f1.fW(a)};f1.NV=function NV(a,b){if(b==0||a.e==0){return a}return b>0?f1.hW(a,b):f1.dW(a,-b)};f1.OV=function OV(a,b){var c,d,e;if(b==0){return (a.a[0]&1)!=0}if(b<0){throw zQ(new L0.aS('Negative bit address'))}e=b>>5;if(e>=a.d){return a.e<0}c=a.a[e];b=1<<(b&31);if(a.e<0){d=f1.GV(a);if(e<d){return false}else d==e?(c=-c):(c=~c)}return (c&b)!=0};f1.PV=function PV(a){return f1.oW(a,0)};f1.QV=function QV(a,b){f1.zV();f1.SV.call(this,a,1,TL(FL(K0.eN,1),H1,5,15,[b]))};f1.RV=function RV(a,b){f1.SV.call(this,1,2,TL(FL(K0.eN,1),H1,5,15,[a,b]))};f1.SV=function SV(a,b,c){f1.zV();f1.AV(this);this.e=a;this.d=b;this.a=c};f1.TV=function TV(a){f1.zV();f1.AV(this);if(a.length==0){this.e=0;this.d=1;this.a=TL(FL(K0.eN,1),H1,5,15,[0])}else{this.e=1;this.d=a.length;this.a=a;f1.CV(this)}};f1.UV=function UV(a){f1.zV();f1.VV.call(this,a)};f1.VV=function VV(a){f1.AV(this);O0.w0(a);if(O0.F0(a).length==0){throw zQ(new L0.ST('Zero length BigInteger'))}f1._V(this,a)};f1.YV=function YV(a){f1.zV();var b,c;c=dR(a);b=dR(_Q(a,32));if(b!=0){return new f1.RV(c,b)}if(c>10||c<0){return new f1.QV(1,c)}return f1.vV[c]};f1.ZV=function ZV(a){var b,c,d;if(a<f1.xV.length){return f1.xV[a]}c=a>>5;b=a&31;d=LL(K0.eN,H1,5,c+1,15,1);d[c]=1<<b;return new f1.SV(1,c+1,d)};f1._V=function _V(a,b){var 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YQ(c,d)};K0.bN=KS('C');K0.tQ=KS('S');K0.aN=KS('B');K0.eN=KS('I');K0.uQ=KS('Z');K0.cN=KS('D');K0.dN=KS('F');K0.fN=KS('J');X0.rB();_=vR('OCL.Molecule',X0.uB);_.CANONIZER_ASSIGN_PARITIES_TO_TETRAHEDRAL_N=X0.Uw;_.CANONIZER_CONSIDER_DIASTEREOTOPICITY=X0.Vw;_.CANONIZER_CONSIDER_ENANTIOTOPICITY=X0.Ww;_.CANONIZER_CONSIDER_STEREOHETEROTOPICITY=X0.Xw;_.CANONIZER_COORDS_ARE_3D=X0.Yw;_.CANONIZER_CREATE_PSEUDO_STEREO_GROUPS=X0.Zw;_.CANONIZER_CREATE_SYMMETRY_RANK=X0.$w;_.CANONIZER_DISTINGUISH_RACEMIC_OR_GROUPS=X0._w;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS=X0.ax;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS_WITHOUT_RANKING=X0.bx;_.CANONIZER_ENCODE_ATOM_SELECTION=X0.cx;_.CANONIZER_NEGLECT_ANY_STEREO_INFORMATION=X0.dx;_.CANONIZER_TIE_BREAK_FREE_VALENCE_ATOMS=X0.ex;_.FISCHER_PROJECTION_LIMIT=X0.fx;_.FISCHER_PROJECTION_RING_LIMIT=X0.gx;_.STEREO_ANGLE_LIMIT=X0.hx;_.VALIDATION_ERRORS_STEREO=X0.ix;_.VALIDATION_ERROR_AMBIGUOUS_CONFIGURATION=X0.jx;_.VALIDATION_ERROR_ESR_CENTER_UNKNOWN=X0.kx;_.VALIDATION_ERROR_OVER_UNDER_SPECIFIED=X0.lx;_.cAtomCIPParityNone=X0.mx;_.cAtomCIPParityProblem=X0.nx;_.cAtomCIPParityRorM=X0.ox;_.cAtomCIPParitySorP=X0.px;_.cAtomColorBlue=X0.qx;_.cAtomColorDarkGreen=X0.rx;_.cAtomColorDarkRed=X0.sx;_.cAtomColorGreen=X0.tx;_.cAtomColorMagenta=X0.ux;_.cAtomColorNone=X0.vx;_.cAtomColorOrange=X0.wx;_.cAtomColorRed=X0.xx;_.cAtomLabel=X0.yx;_.cAtomParity1=X0.zx;_.cAtomParity2=X0.Ax;_.cAtomParityIsPseudo=X0.Bx;_.cAtomParityNone=X0.Cx;_.cAtomParityUnknown=X0.Dx;_.cAtomQFAny=X0.Ex;_.cAtomQFAromState=X0.Fx;_.cAtomQFAromStateBits=X0.Gx;_.cAtomQFAromStateShift=X0.Hx;_.cAtomQFAromatic=X0.Ix;_.cAtomQFCharge=X0.Jx;_.cAtomQFChargeBits=X0.Kx;_.cAtomQFChargeShift=X0.Lx;_.cAtomQFENeighbourBits=X0.Mx;_.cAtomQFENeighbourShift=X0.Nx;_.cAtomQFENeighbours=X0.Ox;_.cAtomQFExcludeGroup=X0.Px;_.cAtomQFFlatNitrogen=X0.Qx;_.cAtomQFHeteroAromatic=X0.Rx;_.cAtomQFHydrogen=X0.Sx;_.cAtomQFHydrogenBits=X0.Tx;_.cAtomQFHydrogenShift=X0.Ux;_.cAtomQFIsNotStereo=X0.Vx;_.cAtomQFIsStereo=X0.Wx;_.cAtomQFMatchStereo=X0.Xx;_.cAtomQFMoreNeighbours=X0.Yx;_.cAtomQFNarrowing=X0.Zx;_.cAtomQFNeighbourBits=X0.$x;_.cAtomQFNeighbourShift=X0._x;_.cAtomQFNeighbours=X0.ay;_.cAtomQFNewRingSize=X0.by;_.cAtomQFNewRingSizeBits=X0.cy;_.cAtomQFNewRingSizeShift=X0.dy;_.cAtomQFNoMoreNeighbours=X0.ey;_.cAtomQFNoOfBits=X0.fy;_.cAtomQFNot0ENeighbours=X0.gy;_.cAtomQFNot0Hydrogen=X0.hy;_.cAtomQFNot0Neighbours=X0.iy;_.cAtomQFNot0PiElectrons=X0.jy;_.cAtomQFNot1ENeighbour=X0.ky;_.cAtomQFNot1Hydrogen=X0.ly;_.cAtomQFNot1Neighbour=X0.my;_.cAtomQFNot1PiElectron=X0.ny;_.cAtomQFNot2ENeighbours=X0.oy;_.cAtomQFNot2Hydrogen=X0.py;_.cAtomQFNot2Neighbours=X0.qy;_.cAtomQFNot2PiElectrons=X0.ry;_.cAtomQFNot2RingBonds=X0.sy;_.cAtomQFNot3ENeighbours=X0.ty;_.cAtomQFNot3Hydrogen=X0.uy;_.cAtomQFNot3Neighbours=X0.vy;_.cAtomQFNot3RingBonds=X0.wy;_.cAtomQFNot4ENeighbours=X0.xy;_.cAtomQFNot4Neighbours=X0.yy;_.cAtomQFNot4RingBonds=X0.zy;_.cAtomQFNotAromatic=X0.Ay;_.cAtomQFNotChain=X0.By;_.cAtomQFNotCharge0=X0.Cy;_.cAtomQFNotChargeNeg=X0.Dy;_.cAtomQFNotChargePos=X0.Ey;_.cAtomQFPiElectronBits=X0.Fy;_.cAtomQFPiElectronShift=X0.Gy;_.cAtomQFPiElectrons=X0.Hy;_.cAtomQFRingSize0=X0.Iy;_.cAtomQFRingSize3=X0.Jy;_.cAtomQFRingSize4=X0.Ky;_.cAtomQFRingSize5=X0.Ly;_.cAtomQFRingSize6=X0.My;_.cAtomQFRingSize7=X0.Ny;_.cAtomQFRingSizeLarge=X0.Oy;_.cAtomQFRingState=X0.Py;_.cAtomQFRingStateBits=X0.Qy;_.cAtomQFRingStateShift=X0.Ry;_.cAtomQFRxnParityBits=X0.Sy;_.cAtomQFRxnParityHint=X0.Ty;_.cAtomQFRxnParityInvert=X0.Uy;_.cAtomQFRxnParityRacemize=X0.Vy;_.cAtomQFRxnParityRetain=X0.Wy;_.cAtomQFRxnParityShift=X0.Xy;_.cAtomQFSimpleFeatures=X0.Yy;_.cAtomQFSmallRingSize=X0.Zy;_.cAtomQFSmallRingSizeBits=X0.$y;_.cAtomQFSmallRingSizeShift=X0._y;_.cAtomQFStereoState=X0.az;_.cAtomQFStereoStateBits=X0.bz;_.cAtomQFStereoStateShift=X0.cz;_.cAtomRadicalState=X0.dz;_.cAtomRadicalStateD=X0.ez;_.cAtomRadicalStateNone=X0.fz;_.cAtomRadicalStateS=X0.gz;_.cAtomRadicalStateShift=X0.hz;_.cAtomRadicalStateT=X0.iz;_.cAtomValence=X0.jz;_.cBondCIPParityEorP=X0.kz;_.cBondCIPParityNone=X0.lz;_.cBondCIPParityProblem=X0.mz;_.cBondCIPParityZorM=X0.nz;_.cBondParityEor1=X0.oz;_.cBondParityNone=X0.pz;_.cBondParityUnknown=X0.qz;_.cBondParityZor2=X0.rz;_.cBondQFAllFeatures=X0.sz;_.cBondQFAromState=X0.tz;_.cBondQFAromStateBits=X0.uz;_.cBondQFAromStateShift=X0.vz;_.cBondQFAromatic=X0.wz;_.cBondQFBondTypes=X0.xz;_.cBondQFBondTypesBits=X0.yz;_.cBondQFBondTypesShift=X0.zz;_.cBondQFBridge=X0.Az;_.cBondQFBridgeBits=X0.Bz;_.cBondQFBridgeMin=X0.Cz;_.cBondQFBridgeMinBits=X0.Dz;_.cBondQFBridgeMinShift=X0.Ez;_.cBondQFBridgeShift=X0.Fz;_.cBondQFBridgeSpan=X0.Gz;_.cBondQFBridgeSpanBits=X0.Hz;_.cBondQFBridgeSpanShift=X0.Iz;_.cBondQFDelocalized=X0.Jz;_.cBondQFDouble=X0.Kz;_.cBondQFMatchFormalOrder=X0.Lz;_.cBondQFMatchStereo=X0.Mz;_.cBondQFMetalLigand=X0.Nz;_.cBondQFNarrowing=X0.Oz;_.cBondQFNoOfBits=X0.Pz;_.cBondQFNotAromatic=X0.Qz;_.cBondQFNotRing=X0.Rz;_.cBondQFQuadruple=X0.Sz;_.cBondQFQuintuple=X0.Tz;_.cBondQFRareBondTypes=X0.Uz;_.cBondQFRareBondTypesBits=X0.Vz;_.cBondQFRareBondTypesShift=X0.Wz;_.cBondQFRing=X0.Xz;_.cBondQFRingSize=X0.Yz;_.cBondQFRingSizeBits=X0.Zz;_.cBondQFRingSizeShift=X0.$z;_.cBondQFRingState=X0._z;_.cBondQFRingStateBits=X0.aA;_.cBondQFRingStateShift=X0.bA;_.cBondQFSimpleFeatures=X0.cA;_.cBondQFSingle=X0.dA;_.cBondQFTriple=X0.eA;_.cBondTypeCross=X0.fA;_.cBondTypeDeleted=X0.gA;_.cBondTypeDelocalized=X0.hA;_.cBondTypeDouble=X0.iA;_.cBondTypeDown=X0.jA;_.cBondTypeIncreaseOrder=X0.kA;_.cBondTypeMaskSimple=X0.lA;_.cBondTypeMaskStereo=X0.mA;_.cBondTypeMetalLigand=X0.nA;_.cBondTypeQuadruple=X0.oA;_.cBondTypeQuintuple=X0.pA;_.cBondTypeSingle=X0.qA;_.cBondTypeTriple=X0.rA;_.cBondTypeUp=X0.sA;_.cChiralityDiastereomers=X0.tA;_.cChiralityEpimers=X0.uA;_.cChiralityIsomerCountMask=X0.vA;_.cChiralityKnownEnantiomer=X0.wA;_.cChiralityMeso=X0.xA;_.cChiralityNotChiral=X0.yA;_.cChiralityRacemic=X0.zA;_.cChiralityUnknown=X0.AA;_.cChiralityUnknownEnantiomer=X0.BA;_.cCommonOxidationState=X0.CA;_.cDefaultAVBL=X0.DA;_.cDefaultAllowedPseudoAtoms=X0.EA;_.cDefaultAtomValence=X0.FA;_.cESRGroupBits=X0.GA;_.cESRMaxGroups=X0.HA;_.cESRTypeAbs=X0.IA;_.cESRTypeAnd=X0.JA;_.cESRTypeOr=X0.KA;_.cHelperBitCIP=X0.LA;_.cHelperBitIncludeNitrogenParities=X0.MA;_.cHelperBitNeighbours=X0.NA;_.cHelperBitParities=X0.OA;_.cHelperBitRings=X0.PA;_.cHelperBitRingsSimple=X0.QA;_.cHelperBitSymmetrySimple=X0.RA;_.cHelperBitSymmetryStereoHeterotopicity=X0.SA;_.cHelperBitsStereo=X0.TA;_.cHelperCIP=X0.UA;_.cHelperNeighbours=X0.VA;_.cHelperNone=X0.WA;_.cHelperParities=X0.XA;_.cHelperRings=X0.YA;_.cHelperRingsSimple=X0.ZA;_.cHelperSymmetrySimple=X0.$A;_.cHelperSymmetryStereoHeterotopicity=X0._A;_.cMaxAtomicNo=X0.aB;_.cMaxConnAtoms=X0.bB;_.cMoleculeColorDefault=X0.cB;_.cMoleculeColorNeutral=X0.dB;_.cPseudoAtomA=X0.eB;_.cPseudoAtomAttachmentPoint=X0.fB;_.cPseudoAtomPolymer=X0.gB;_.cPseudoAtomR=X0.hB;_.cPseudoAtomX=X0.iB;_.cPseudoAtomsAGroups=X0.jB;_.cPseudoAtomsAll=X0.kB;_.cPseudoAtomsAminoAcids=X0.lB;_.cPseudoAtomsHydrogenIsotops=X0.mB;_.cPseudoAtomsRGroups=X0.nB;_.cRoundedMass=X0.oB;_.fromIDCode=X0.nC;_.fromMolfile=X0.qC;_.fromMolfileWithAtomMap=X0.rC;_.fromSmiles=X0.sC;_.getAngle=X0.BC;_.getAngleDif=X0.CC;_.getAtomicNoFromLabel=X0._C;_.getDefaultAverageBondLength=X0.DD;_.isAtomicNoElectronegative=X0.IE;_.isAtomicNoElectropositive=X0.JE;_.setDefaultAverageBondLength=X0.eG;_=vR('OCL.Reaction');_.create=X0.SG;_.fromMolecules=X0.TG;_.fromRxn=X0.UG;_.fromSmiles=X0.VG;_=vR('OCL.RingCollection');_.MAX_SMALL_RING_SIZE=X0.tH;_.MODE_SMALL_AND_LARGE_RINGS=X0.uH;_.MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY=X0.vH;_.MODE_SMALL_RINGS_AND_AROMATICITY=X0.wH;_.MODE_SMALL_RINGS_ONLY=X0.xH;_=vR('OCL.SDFileParser',X0.RH);_=vR('OCL.SSSearcher',X0.cI);_=vR('OCL.SSSearcherWithIndex',X0.jI);_.bitCount=X0.kI;_.getHexStringFromIndex=X0.mI;_.getIndexFromHexString=X0.nI;_.getKeyIDCode=X0.oI;_.getSimilarityAngleCosine=X0.qI;_.getSimilarityTanimoto=X0.rI;_=vR('OCL.SmilesParser',X0.wI);_=vR('OCL.Util',X0.DI);_.getHoseCodesFromDiastereotopicID=X0.EI;_=vR('java.io.Serializable');_.$isInstance=PR;L0.gS();_=vR('java.lang.Boolean');_.$isInstance=mS;_=vR('java.lang.CharSequence');_.$isInstance=pS;_=vR('java.lang.Cloneable');_.$isInstance=WS;_=vR('java.lang.Comparable');_.$isInstance=XS;_=vR('java.lang.Double');_.$isInstance=gT;_=vR('java.lang.Number');_.$isInstance=L0.ZS;_=vR('java.lang.String');_.$isInstance=hU;_=vR('java.lang.Throwable');_.of=yJ;_=vR('javaemul.internal.HashCodes',O0.n0);_.getIdentityHashCode=O0.o0;_.getNextHash=O0.p0;_.getObjectIdentityHashCode=O0.q0;_=vR('javaemul.internal.JsUtils');_.toDoubleFromUnsignedInt=O0.E0;var J0=(N0.lK(),oK);var gwtOnLoad=gwtOnLoad=kR;iR(yR);lR('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);
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// End GWT code
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var toReturn = $wnd["OCL"];
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-
toReturn.version = '8.
|
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+
toReturn.version = '8.3.0';
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return toReturn;
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}
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