openchemlib 8.19.0 → 8.20.2
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/README.md +1 -1
- package/dist/openchemlib-core.js +146 -146
- package/dist/openchemlib-full.js +167 -167
- package/dist/openchemlib-full.pretty.js +30 -11
- package/dist/openchemlib-minimal.js +115 -115
- package/lib/canvas_editor/editor_dialog.js +1 -1
- package/lib/canvas_editor/events.js +2 -0
- package/lib/canvas_editor/init/canvas_editor.js +2 -2
- package/package.json +18 -17
- package/types.d.ts +6 -0
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/**
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* openchemlib - Manipulate molecules
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* @version v8.
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* @date 2025-
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* @version v8.20.2
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* @date 2025-04-11T11:53:07.718Z
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* @link https://github.com/cheminfo/openchemlib-js
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* @license BSD-3-Clause
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76
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oe(a){this.k=a};uT(80,1,{},f9.oe);_.a=false;_.b=0;_.c=0;_.n=0;a9.lO=NU(80);f9.pe=function pe(a,b,c,d,e,f){var g,h,i,j;i=0;for(h=0;h<a.Q.d;h++)_S(GS(f9.Uj(a.Q,a.A[h]),d),0)&&++i;if(i==0)return;f9.nf(a,b);f9.hf(a,a9.OS(i),c);for(g=0;g<a.Q.d;g++){j=GS(f9.Uj(a.Q,a.A[g]),d);if(LS(j,0)!=0){f9.hf(a,a9.OS(g),c);e!=1&&f9.hf(a,dT(j,f),e)}}};f9.qe=function qe(a,b,c,d,e,f){var g,h,i,j;i=0;for(h=0;h<a.Q.e;h++)(f9.mk(a.Q,a.B[h])&d)!=0&&++i;if(i==0)return;f9.nf(a,b);f9.hf(a,a9.OS(i),c);for(g=0;g<a.Q.e;g++){j=f9.mk(a.Q,a.B[g])&d;if(j!=0){f9.hf(a,a9.OS(g),c);e!=1&&f9.hf(a,a9.OS(j>>f),e)}}};f9.re=function re(a){var b,c,d,e,f,g;while(true){f=NM(a9.zS,uab,5,a.T+1,16,1);d=-1;for(c=0;c<a.Q.d;c++){if(f9.qn(a.Q,c)!=0){f[a.e[c]]&&d<a.e[c]&&(d=a.e[c]);f[a.e[c]]=true}}if(d==-1)break;e=0;for(b=0;b<a.Q.d;b++){g=0;a.e[b]==d&&(g=++e);f9.ig(a.d[b],b);f9.fg(a.d[b],a.c,SS(a.e[b]));f9.fg(a.d[b],8,a9.OS(g))}a.T=f9.Se(a)}};f9.se=function se(a){var b,c,d,e;for(c=0;c<a.Q.d;c++){f9.ig(a.d[c],c);f9.fg(a.d[c],2*a.c+4,cT(SS(a.e[c]),a.c+4))}e=false;for(b=0;b<a.Q.d;b++)e=e|f9.Fe(a,b,3);for(d=0;d<a.Q.e;d++)e=e|f9.Ae(a,d,3);if(!e)return false;while(a.T<a.Q.d){e=f9.Pe(a);if(!e)break;f9.Re(a);!!a.O&&f9.yg(a.O,a.e)}return true};f9.te=function te(a){var b,c,d,e,f;for(c=0;c<a.Q.d;c++){f9.ig(a.d[c],c);f9.fg(a.d[c],a.c+1,ZS(2,SS(a.e[c])))}f=NM(a9.fO,aab,5,a.T+1,15,1);for(d=0;d<a.Q.d;d++)++f[a.e[d]];e=1;while(f[e]==1)++e;for(b=0;b<a.Q.d;b++){if(a.e[b]==e){f9.gg(a.d[b],1);break}}a.T=f9.Se(a)};f9.ue=function ue(a,b,c){var d,e,f,g,h;if(f9.Zj(a.Q,b)!=6&&f9.Zj(a.Q,b)!=7)return false;e=f9.$m(a.Q,b,0);f=f9.$m(a.Q,b,1);if(f9.Rm(a.Q,e)!=1||f9.Rm(a.Q,f)!=1)return false;if(f9._m(a.Q,e)==1||f9._m(a.Q,f)==1)return false;if(f9.Mm(a.Q,e)>3||f9.Mm(a.Q,f)>3)return false;g=new f9.Si(a.Q,a.e,b,e);if(g.f&&c==1)return false;h=new f9.Si(a.Q,a.e,b,f);if(h.f&&c==1)return false;if(g.f&&h.f)return false;if(c==3){g.f&&g.c&&(a.V[b]=true);h.f&&h.c&&(a.V[b]=true)}d=a.ib?f9.we(a,g,h):f9.ve(g,h);if(c==1){a.cb[b]=d}else if(c==2){g.f&&(d==1?f9.gg(a.d[g.b],SS(a.e[e])):f9.gg(a.d[g.d],SS(a.e[e])));h.f&&(d==2?f9.gg(a.d[h.b],SS(a.e[f])):f9.gg(a.d[h.d],SS(a.e[f])))}return true};f9.ve=function ve(a,b){var c,d,e;d=f9.Ri(a);e=f9.Ri(b);if(d==-1||e==-1||(d+e&1)==0)return 3;c=0;switch(d+e){case 3:case 7:c=2;break;case 5:c=1;}return c};f9.we=function we(a,b,c){var d,e;d=NM(a9.fO,aab,5,4,15,1);d[0]=b.b;d[1]=b.a;d[2]=c.a;d[3]=c.b;e=f9.mj(a.Q,d);if($wnd.Math.abs(e)<0.3||$wnd.Math.abs(e)>rbb)return 3;return e<0?2:1};f9.xe=function xe(a,b,c){var d,e,f,g,h;if(!f9.Un(a.Q,b))return false;d=f9.ck(a.Q,0,b);e=f9.ck(a.Q,1,b);g=new f9.Si(a.Q,a.e,d,e);if(g.f&&c==1)return false;h=new f9.Si(a.Q,a.e,e,d);if(h.f&&c==1)return false;if(g.f&&h.f)return false;if(c==3){g.f&&(a.U[b]=f9.Df(a,e));h.f&&(a.U[b]=f9.Df(a,d))}f=a.ib?f9.ze(a,g,h):f9.ye(g,h);if(c==1){a.n[b]=f}else if(c==2){g.f&&(f==2?f9.gg(a.d[g.b],SS(a.e[e])):f9.gg(a.d[g.d],SS(a.e[e])));h.f&&(f==2?f9.gg(a.d[h.b],SS(a.e[d])):f9.gg(a.d[h.d],SS(a.e[d])))}return true};f9.ye=function ye(a,b){var c,d,e;d=f9.Ri(a);e=f9.Ri(b);if(d==-1||e==-1||(d+e&1)==0)return 3;c=0;switch(d+e){case 3:case 7:c=1;break;case 5:c=2;}return c};f9.ze=function ze(a,b,c){var d,e;d=NM(a9.fO,aab,5,4,15,1);d[0]=b.b;d[1]=b.a;d[2]=c.a;d[3]=c.b;e=f9.mj(a.Q,d);if($wnd.Math.abs(e)<0.3||$wnd.Math.abs(e)>rbb)return 3;return e<0?1:2};f9.Ae=function Ae(a,b,c){var d,e,f,g,h,i,j,k;if(a.n[b]!=0)return false;if(a.Q.I){for(j=0;j<2;j++){d=f9.ck(a.Q,j,b);for(k=0;k<f9.Mm(a.Q,d);k++)if(_S(GS(f9.Uj(a.Q,f9.$m(a.Q,d,k)),vab),0))return false}}if(f9.kk(a.Q,b)==1)return f9.xe(a,b,c);if(f9.kk(a.Q,b)!=2)return false;if(f9.Tn(a.Q,b))return false;f=f9.ck(a.Q,0,b);g=f9.ck(a.Q,1,b);if(f9._m(a.Q,f)==1||f9._m(a.Q,g)==1)return false;if(f9._m(a.Q,f)>3||f9._m(a.Q,g)>3)return false;if(f9.Rm(a.Q,f)==2||f9.Rm(a.Q,g)==2)return false;h=new f9.Si(a.Q,a.e,g,f);if(h.f&&c==1)return false;i=new f9.Si(a.Q,a.e,f,g);if(i.f&&c==1)return false;if(h.f&&i.f)return false;if(c==3){h.f&&h.c&&(a.U[b]=true);i.f&&i.c&&(a.U[b]=true)}e=f9.Lk(a.Q,b)?3:a.ib?f9.Ce(a,h,i):f9.Be(h,i);if(c==1){a.n[b]=e}else if(c==2){h.f&&(e==1?f9.gg(a.d[h.b],SS(a.e[f])):e==2&&f9.gg(a.d[h.d],SS(a.e[f])));i.f&&(e==1?f9.gg(a.d[i.b],SS(a.e[g])):e==2&&f9.gg(a.d[i.d],SS(a.e[g])))}return true};f9.Be=function Be(a,b){if(f9.Ri(a)==-1||f9.Ri(b)==-1)return 3;if(((f9.Ri(a)|f9.Ri(b))&1)!=0)return 3;return f9.Ri(a)==f9.Ri(b)?1:2};f9.Ce=function Ce(a,b,c){var d,e,f,g,h,i,j;f=NM(a9.dO,ebb,5,3,15,1);f[0]=f9.Wj(a.Q,c.a)-f9.Wj(a.Q,b.a);f[1]=f9.Xj(a.Q,c.a)-f9.Xj(a.Q,b.a);f[2]=f9.Yj(a.Q,c.a)-f9.Yj(a.Q,b.a);i=NM(a9.dO,ebb,5,3,15,1);i[0]=f9.Wj(a.Q,b.b)-f9.Wj(a.Q,b.a);i[1]=f9.Xj(a.Q,b.b)-f9.Xj(a.Q,b.a);i[2]=f9.Yj(a.Q,b.b)-f9.Yj(a.Q,b.a);j=NM(a9.dO,ebb,5,3,15,1);j[0]=f9.Wj(a.Q,c.b)-f9.Wj(a.Q,c.a);j[1]=f9.Xj(a.Q,c.b)-f9.Xj(a.Q,c.a);j[2]=f9.Yj(a.Q,c.b)-f9.Yj(a.Q,c.a);g=NM(a9.dO,ebb,5,3,15,1);g[0]=f[1]*i[2]-f[2]*i[1];g[1]=f[2]*i[0]-f[0]*i[2];g[2]=f[0]*i[1]-f[1]*i[0];h=NM(a9.dO,ebb,5,3,15,1);h[0]=f[1]*g[2]-f[2]*g[1];h[1]=f[2]*g[0]-f[0]*g[2];h[2]=f[0]*g[1]-f[1]*g[0];d=(i[0]*h[0]+i[1]*h[1]+i[2]*h[2])/($wnd.Math.sqrt(i[0]*i[0]+i[1]*i[1]+i[2]*i[2])*$wnd.Math.sqrt(h[0]*h[0]+h[1]*h[1]+h[2]*h[2]));e=(j[0]*h[0]+j[1]*h[1]+j[2]*h[2])/($wnd.Math.sqrt(j[0]*j[0]+j[1]*j[1]+j[2]*j[2])*$wnd.Math.sqrt(h[0]*h[0]+h[1]*h[1]+h[2]*h[2]));return d<0^e<0?1:2};f9.De=function De(a,b){var c,d,e,f;c=f9.Gj(a.Q,b);d=f9.nn(a.Q,b,false);e=f9.nn(a.Q,b,true);f=-1;if(d!=e){c!=-1&&c>d?(f=c<<24>>24):(f=d<<24>>24)}else if(c!=-1){(c>e||c<e&&c>=f9.vn(a.Q,b))&&(f=c<<24>>24)}else if(!f9.zo(a.Q,b)&&f9.dn(a.Q,b)!=0){f=f9.vn(a.Q,b);f-=f9.rk(a.Q,b,f)}f9.Ze(a,b,f);return f};f9.Ee=function Ee(a){var b,c,d,e,f,g,h,i,j,k,l;d=NM(a9.fO,aab,5,a.N,15,1);for(b=0;b<a.Q.d;b++){k=f9._m(a.Q,b)+f9.sn(a.Q,b);j=0;for(f=0;f<f9.Nm(a.Q,b);f++){if(f<f9._m(a.Q,b)||f>=f9.Mm(a.Q,b)){l=2*a.e[f9.$m(a.Q,b,f)];c=f9.an(a.Q,b,f);f9.kk(a.Q,c)==2&&(f9.Tn(a.Q,c)||++l);for(h=0;h<j;h++)if(l<d[h])break;for(i=j;i>h;i--)d[i]=d[i-1];d[h]=l;++j}}f9.ig(a.d[b],b);f9.fg(a.d[b],a.c,SS(a.e[b]));for(g=k;g<a.N;g++)f9.fg(a.d[b],a.c+1,0);for(e=0;e<k;e++)f9.fg(a.d[b],a.c+1,a9.OS(d[e]))}};f9.Fe=function Fe(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;if(a.cb[b]!=0)return false;if(f9.Zj(a.Q,b)!=5&&f9.Zj(a.Q,b)!=6&&f9.Zj(a.Q,b)!=7&&f9.Zj(a.Q,b)!=14&&f9.Zj(a.Q,b)!=15&&f9.Zj(a.Q,b)!=16)return false;if(f9.Rm(a.Q,b)!=0){if(f9.Vn(a.Q,b))return 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77
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c,d,e,f,g;f=f9.Xk(a,a.B[0][b])||f9.Xk(a,a.B[1][b])?5:3;for(d=0;d<2;d++){c=a.B[d][b];e=f9.kk(a,b)+(g=f9.uk(a,c),g+f9.sk(a,c,g,a.A[c]))-f9.vn(a,c);f>e&&(f=e)}return f};f9.wk=function wk(a,b){return (a.s[b]&T9)!=0};f9.xk=function xk(a,b){var c,d,e;d=f9.vk(a,b);c=f9.Pk(a,a.B[0][b])||f9.Pk(a,a.B[1][b]);e=c?16:1;if(a.F[b]==64){a.F[b]=e;a.R=0;return true}if(a.F[b]==32){a.F[b]=d>4?64:e;a.R=0;return true}if(a.F[b]==4){a.F[b]=d>3?32:e;a.R=0;return true}if(a.F[b]==2){a.F[b]=386;a.R&=7;if((a.C[b]&128)==0)return true}if(a.F[b]==386){d>2?(a.F[b]=4):(a.F[b]=e);a.R=0;return true}if((384&a.F[b])!=0){a.F[b]=1;a.R&=7;return true}if(!c&&d<2)return false;if(a.F[b]==1){a.F[b]=2;a.R=0;return true}if(d<1)return false;if(a.F[b]==16){a.F[b]=1;a.R=0;return true}return false};f9.yk=function yk(a){var b;a.R=0;a.A=NM(a9.fO,aab,5,a.K,15,1);a.q=NM(a9.fO,aab,5,a.K,15,1);a.u=NM(a9.fO,aab,5,a.K,15,1);a.H=NM(a9.xO,Dbb,38,a.K,0,1);for(b=0;b<a.K;b++)a.H[b]=new f9.ah;a.v=NM(a9.fO,aab,5,a.K,15,1);a.s=NM(a9.fO,aab,5,a.K,15,1);a.w=NM(a9.gO,ubb,5,a.K,14,1);a.t=null;a.r=null;a.B=LM(a9.fO,[sbb,aab],[6,5],15,[2,a.L],2);a.F=NM(a9.fO,aab,5,a.L,15,1);a.C=NM(a9.fO,aab,5,a.L,15,1);a.D=NM(a9.fO,aab,5,a.L,15,1)};f9.zk=function zk(a,b){a.R&=~b};f9.Ak=function Ak(a){var b;for(b=0;b<a.o;b++)if(a.H[b].c!=0)return true;return false};f9.Bk=function Bk(a,b){return (a.s[b]&Lbb)!=0};f9.Ck=function Ck(a,b){return a.A[b]==-1};f9.Dk=function Dk(a,b){return (a.s[b]&4)!=0};f9.Ek=function Ek(a,b){return (a.s[b]&Mbb)!=0};f9.Fk=function Fk(a,b){return a.u[b]<0};f9.Gk=function Gk(a,b){return (a.C[b]&Nbb)!=0};f9.Hk=function Hk(a,b){return (a.D[b]&gbb)!=0};f9.Ik=function Ik(a,b){return (a.C[b]&T9)!=0};f9.Jk=function Jk(a,b){return a.F[b]==512};f9.Kk=function Kk(a,b){return (a.C[b]&4)!=0};f9.Lk=function Lk(a,b){return (a.C[b]&wbb)!=0};f9.Mk=function Mk(a,b){var c,d,e,f;if(a.I){if(_S(GS(a.w[b],1),0))return 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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};f9.Tk=function Tk(a,b){return (a.s[b]&512)!=0};f9.Uk=function Uk(a,b){return (a.s[a.B[0][b]]&a.s[a.B[1][b]]&512)!=0};f9.Vk=function Vk(a,b){return a.F[b]==257||a.F[b]==129};f9.Wk=function Wk(a,b,c){return (a.F[b]==257||a.F[b]==129)&&a.B[0][b]==c};f9.Xk=function Xk(a,b){var c,d,e,f;if(a.I){if(_S(GS(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>=21&&c<=30||c>=39&&c<=48||c==57||c>=72&&c<=80||c==89||c>=104&&c<=112))return false}}return f9.wm(a.A[b])};f9.Yk=function Yk(a,b){a.A[b]=-1};f9.Zk=function Zk(a,b){a.F[b]=512};f9.$k=function $k(a,b,c,d,e,f,g,h){var i,j,k,l,m,n,o,p,q,r;if(b!=d){q=a.H[b].a-a.H[d].a;r=a.H[b].b-a.H[d].b;h=$wnd.Math.sqrt(q*q+r*r)}i=b;k=f9.Zl(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=f9.aj(a,m,n,0);a.H[o].a=m;a.H[o].b=n;a.H[o].c=0}j=f9.jk(a,i,o);if(j==-1){j=f9.dj(a,i,o,f9.Pk(a,i)||f9.Pk(a,o)?16:1);if(e){k&&f9.Zl(a,a.B[0][j])<4&&f9.Zl(a,a.B[1][j])<3&&(a.F[j]=2);k=!k}}i=o;f+=g}j=f9.jk(a,i,d);j==-1&&(j=f9.dj(a,i,d,f9.Pk(a,i)||f9.Pk(a,d)?16:1));e&&k&&f9.Zl(a,a.B[0][j])<4&&f9.Zl(a,a.B[1][j])<4&&(a.F[j]=2)};
|
|
80
|
-
f9._k=function _k(a,b,c){var d,e;if(f9.kk(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};f9.al=function al(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-449};f9.bl=function bl(a){var b;for(b=0;b<a.o;b++)a.s[b]&=Obb};f9.cl=function cl(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-513};f9.dl=function dl(a){var b;for(b=0;b<a.p;b++)a.C[b]&=-98305};f9.el=function el(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)};f9.fl=function fl(a){var b,c,d,e;e=false;for(c=0;c<a.o;c++){if(_S(GS(a.w[c],vab),0)){a.A[c]=-1;e=true}}e&&f9.Cj(a);if(a.t!=null){a.t=null;e=true}for(b=0;b<a.o;b++){if(_S(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]==8){a.F[d]=1;e=true}}e&&(a.R=0);return e};f9.gl=function gl(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]&kbb)>>18==b){h==null&&(h=NM(a9.zS,uab,5,32,16,1));h[(a.s[d]&kbb)>>18!=1&&(a.s[d]&kbb)>>18!=2?-1:(a.s[d]&Ibb)>>20]=true}}for(f=0;f<a.p;f++){if((a.C[f]&768)>>8==b){h==null&&(h=NM(a9.zS,uab,5,32,16,1));h[(a.C[f]&768)>>8!=1&&(a.C[f]&768)>>8!=2?-1:(a.C[f]&Jbb)>>10]=true}}k=0;if(h!=null){j=NM(a9.fO,aab,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]&kbb)>>18==b){g=j[(a.s[c]&kbb)>>18!=1&&(a.s[c]&kbb)>>18!=2?-1:(a.s[c]&Ibb)>>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]&Jbb)>>10];a.C[e]&=-31745;a.C[e]|=g<<10}}}return k};f9.hl=function hl(a,b){var c;for(c=0;c<a.o;c++){a.H[c].a*=b;a.H[c].b*=b}};f9.il=function il(a,b){a.o=b;a.R=0};f9.jl=function jl(a,b){a.p=b;a.R=0};f9.kl=function kl(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)}}}};f9.ll=function ll(a,b,c){a.s[b]&=-49153;a.s[b]|=c<<14};f9.ml=function ml(a,b,c){a.q[b]=c;a.R=0};f9.nl=function nl(a,b,c){a.s[b]&=-449;a.s[b]|=c};f9.ol=function ol(a,b,c){c?(a.s[b]|=Lbb):(a.s[b]&=Pbb);a.R&=7};f9.pl=function pl(a,b,c){var d,e;if(c!=null){if(e9.X8(c).length==0)c=null;else{d=f9.rm(c,321);if(d!=0&&d==a.A[b]||b9.jW(c,'?')){f9.Fl(a,b,d);c=null}}}if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=NM(a9.bO,G9,7,a.K,0,2));a.r[b]=e9.y8((e=c,y9.BZ(),e))}};f9.ql=function ql(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=NM(a9.bO,G9,7,a.K,0,2));a.r[b]=c}};f9.rl=function rl(a,b,c,d){var 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c,d;c=NM(a9.bO,G9,7,b,0,2);for(d=0;d<a.length;d++){if(a[d]!=null){c[d]=NM(a9.bO,vbb,5,a[d].length,15,1);b9.VW(a[d],0,c[d],0,a[d].length)}}return c};f9.nm=function nm(a,b){var c,d;c=NM(a9.fO,sbb,6,b,0,2);for(d=0;d<a.length;d++){if(a[d]!=null){c[d]=NM(a9.fO,aab,5,a[d].length,15,1);b9.VW(a[d],0,c[d],0,a[d].length)}}return c};f9.om=function om(a){f9.$i();return a>=0&&a<f9.Vi.length&&f9.Vi[a]!=null?f9.Vi[a]:a>=171&&a<=190?f9.Ti:f9.Xi};f9.pm=function pm(a,b,c,d){f9.$i();var e,f,g;f=c-a;g=d-b;if(g!=0){e=$wnd.Math.atan(f/g);g<0&&(f<0?(e-=zab):(e+=zab))}else e=f>0?Aab:fbb;return e};f9.qm=function qm(a,b){f9.$i();var c;c=a-b;while(c<Rbb)c+=yab;while(c>zab)c-=yab;return c};f9.rm=function rm(a,b){f9.$i();var c,d,e,f,g;if((b&256)!=0&&b9.jW(a,'?'))return 0;for(d=1;d<=128;d++)if(!b9.jW(a,Gbb)&&b9.kW(a,f9.Ui[d]))return d;if((b&2)!=0)for(e=129;e<=144;e++)if(b9.kW(a,f9.Ui[e]))return e;if((b&4)!=0)for(f=146;f<=148;f++)if(b9.kW(a,f9.Ui[f]))return f;if((b&1)!=0)for(g=151;g<=152;g++)if(b9.kW(a,f9.Ui[g]))return g;if((b&32)!=0)if(b9.kW(a,f9.Ui[153]))return 153;if((b&8)!=0)if(b9.kW(a,f9.Ui[154]))return 154;if((b&16)!=0)if(b9.kW(a,f9.Ui[145]))return 145;if((b&128)!=0)if(b9.kW(a,f9.Ui[159]))return 159;if((b&64)!=0)for(c=171;c<=190;c++)if(b9.kW(a,f9.Ui[c]))return c;return 0};f9.sm=function sm(a){f9.$i();switch(a){case 7:case 8:case 9:case 15:case 16:case 17:case 33:case 34:case 35:case 52:case 53:return true;}return false};f9.tm=function tm(a){f9.$i();if(a==1||a==6)return false;if(f9.sm(a))return false;if(a==2||a==10||a==18||a==36||a==54)return false;if(a>103)return false;return true};f9.um=function um(a){return a>=3&&a<=4||a>=11&&a<=13||a>=19&&a<=31||a>=37&&a<=51||a>=55&&a<=84||a>=87&&a<=112};f9.vm=function vm(a){return a==1||a>=5&&a<=9||a>=14&&a<=17||a>=32&&a<=35||a>=52&&a<=53};f9.wm=function wm(a){return a>=21&&a<=30||a>=39&&a<=48||a==57||a>=72&&a<=80||a==89||a>=104&&a<=112};uT(70,1,{70:1,4:1});_.xb=function im(a){f9.wj(this,a)};_.yb=function xm(a){return this.F[a]==8};_.o=0;_.p=0;_.G=0;_.I=false;_.J=false;_.K=0;_.L=0;_.M=0;_.Q=false;_.R=0;_.S=0;_.T=0;f9.Zi=24;a9.JO=NU(70);f9.ym=function ym(a,b,c,d){var e,f,g,h,i,j,k,l,m;f9.yt(b,1);d==null&&(d=NM(a9.fO,aab,5,b.o,15,1));h=f9.gl(a,1);i=f9.gl(a,2);m=NM(a9.zS,uab,5,b.o,16,1);j=NM(a9.fO,aab,5,b.o,15,1);j[0]=c;m[c]=true;d[c]=f9.sj(b,a,c,h,i);g=0;k=0;while(g<=k){for(l=0;l<f9.Mm(b,j[g]);l++){f=b.f[j[g]][l];if(!m[f]){j[++k]=f;m[f]=true;d[f]=f9.sj(b,a,f,h,i)}}++g}for(e=0;e<b.p;e++)m[b.B[0][e]]&&f9.tj(b,a,e,h,i,d==null?b.B[0][e]:d[b.B[0][e]],d==null?b.B[1][e]:d[b.B[1][e]],false);f9.gl(a,1);f9.gl(a,2);a.R=0};f9.zm=function zm(a){var b,c,d,e,f,g,h,i,j,k,l,m;a.g=NM(a9.fO,aab,5,a.o,15,1);a.c=NM(a9.fO,aab,5,a.o,15,1);a.f=NM(a9.fO,sbb,6,a.o,0,2);a.i=NM(a9.fO,sbb,6,a.o,0,2);a.j=NM(a9.fO,sbb,6,a.o,0,2);a.k=NM(a9.fO,aab,5,a.d,15,1);j=NM(a9.fO,aab,5,a.o,15,1);for(g=0;g<a.p;g++){++j[a.B[0][g]];++j[a.B[1][g]]}for(d=0;d<a.o;d++){a.f[d]=NM(a9.fO,aab,5,j[d],15,1);a.i[d]=NM(a9.fO,aab,5,j[d],15,1);a.j[d]=NM(a9.fO,aab,5,j[d],15,1)}l=false;for(h=0;h<a.e;h++){m=f9.kk(a,h);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][h];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][h];a.i[c][b]=h;++a.c[c];++a.g[c];c<a.d&&(m>1?(a.k[c]+=m-1):a.F[h]==8&&(a.k[c]=1))}}for(i=a.e;i<a.p;i++){m=f9.kk(a,i);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][i];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][i];a.i[c][b]=i;++a.c[c];a.B[1-k][i]<a.d&&++a.g[c]}}if(l){b=NM(a9.fO,aab,5,a.o,15,1);for(e=0;e<a.o;e++)b[e]=a.c[e];for(f=0;f<a.p;f++){m=f9.kk(a,f);if(m==0){for(k=0;k<2;k++){c=a.B[k][f];a.j[c][b[c]]=m;a.f[c][b[c]]=a.B[1-k][f];a.i[c][b[c]]=f;++b[c]}}}}};f9.Am=function Am(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;f9.yt(a,1);c&&(b=true);for(i=0;i<a.p;i++){j=f9.kk(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(f9.Pk(a,f)||f9.Pk(a,g))continue;if(a.A[f]<9&&f9.vn(a,f)>3||a.A[g]<9&&f9.vn(a,g)>3)continue;l=f9.pn(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=f9.oo(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&&!f9.On(a,e)){++p;f9.Mk(a,e)&&(n-=a.q[e])}}if(!b&&t!=0)throw ES(new b9.MK("molecule's overall charges are not 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false;g=false;for(b=0;b<a.d;b++){h=a.c[b]-a.g[b];if(h>0){if(QS(GS(a.w[b],dbb),0)){k=QS(GS(a.w[b],Gab),896)?3:QS(GS(a.w[b],Gab),384)?2:QS(GS(a.w[b],128),128)?1:0;i=(n=f9.uk(a,b),n+f9.sk(a,b,n,a.A[b])-f9.vn(a,b));a.q[b]==0&&QS(GS(a.w[b],Iab),0)&&a.A[b]!=6&&++i;l=h;l>3-k&&(l=3-k);l>i+h-k&&(l=i+h-k);if(l>0){m=k==0?0:cT(GS(a.w[b],Gab),l);m=bT(m,a9.OS((l==3?7:h==2?3:1)<<7));a.w[b]=GS(a.w[b],-1921);a.w[b]=bT(a.w[b],GS(Gab,m))}}for(j=a.g[b];j<a.c[b];j++){f=a.i[b][j];if(a.F[f]==1){a.A[a.f[b][j]]=-1;a.F[f]=512;g=true}}}}g&&f9.rj(a);return g};f9.Cm=function Cm(a,b){var c,d,e,f;if(a.k[b]==2&&a.g[b]==2&&a.j[b][0]==2){for(e=0;e<2;e++){c=f9.Hm(a,b,a.f[b][e]);if(c!=-1){for(f=0;f<a.g[c];f++){d=a.i[c][f];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==c&&(a.F[a.i[c][f]]=1)}}}return}if(a.k[b]==0||a.A[b]>=15){for(e=0;e<a.c[b];e++){d=a.i[b][e];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==b&&a.B[0][d]==b&&(a.F[d]=1)}}};f9.Dm=function Dm(a,b,c,d,e){var f,g,h,i,j,k,l,m;f9.yt(a,d?7:1);b.t=null;a.I&&f9.Rl(b,true);i=c.length;e==null&&(e=NM(a9.fO,aab,5,i,15,1));b.o=0;for(f=0;f<i;f++){if(c[f]){e[f]=f9.sj(a,b,f,0,0);if(a.A[f]==1){m=f9.vn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.f[f][l]]){f9.kl(b,e[f],m);break}}}}}else{e[f]=-1}}k=NM(a9.fO,aab,5,a.p,15,1);g9.N0(k,k.length,-1);b.p=0;for(j=0;j<a.p;j++){g=a.B[0][j];h=a.B[1][j];if(g<i&&h<i){if(c[g]&&c[h])k[j]=f9.tj(a,b,j,0,0,e==null?a.B[0][j]:e[a.B[0][j]],e==null?a.B[1][j]:e[a.B[1][j]],d);else if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){c[g]&&(b.q[e[g]]+=a.q[g]<0?1:-1);c[h]&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}f9.wj(a,b);!!a.b&&(b.R=0);b.R=0;f9.gl(b,1);f9.gl(b,2);b.o!=i&&f9.Rl(b,true);f9.ro(a,b,i,e,k);f9.qo(a,b,i,e);d&&f9.be(new f9.oe(b),null,false)};f9.Em=function Em(a,b,c,d,e){var f,g,h,i,j,k,l,m;f9.yt(a,d?7:1);b.t=null;a.I&&f9.Rl(b,true);e==null&&(e=NM(a9.fO,aab,5,a.o,15,1));b.o=0;for(f=0;f<a.o;f++){e[f]=-1;for(k=0;k<a.g[f];k++){if(c[a.i[f][k]]){e[f]=f9.sj(a,b,f,0,0);if(a.A[f]==1){m=f9.vn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.i[f][l]]){f9.kl(b,e[f],m);break}}}}break}}}j=NM(a9.fO,aab,5,a.p,15,1);b.p=0;for(i=0;i<a.p;i++)if(c[i]){j[i]=f9.tj(a,b,i,0,0,e==null?a.B[0][i]:e[a.B[0][i]],e==null?a.B[1][i]:e[a.B[1][i]],d)}else{j[i]=-1;g=a.B[0][i];h=a.B[1][i];if(e[g]==-1^e[h]==-1){if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){e[g]!=-1&&(b.q[e[g]]+=a.q[g]<0?1:-1);e[h]!=-1&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}f9.wj(a,b);!!a.b&&(b.R=0);b.R=0;f9.gl(b,1);f9.gl(b,2);b.o!=a.o&&f9.Rl(b,true);f9.ro(a,b,a.o,e,j);f9.qo(a,b,a.o,e);d&&f9.be(new f9.oe(b),null,false);return e};f9.Fm=function Fm(a,b){var c,d,e,f,g,h,i,j,k,l;if((b&~a.R)==0)return;if((a.R&1)==0){f9.Mn(a);f9.zm(a);a.R|=1;if(a.I&&!f9.Ak(a)&&f9.Bm(a)){f9.Mn(a);f9.zm(a);a.R|=1}}if((b&~a.R)==0)return;if((a.R&-7)!=0){for(d=0;d<a.d;d++)a.s[d]&=-15369;for(f=0;f<a.e;f++)a.C[f]&=-705;if((b&4)==0){f9.Km(a,1);a.R|=2;return}f9.Km(a,7);for(e=0;e<a.d;e++){for(k=0;k<a.g[e];k++){i=a.i[e][k];if(i<a.e&&f9.Tq(a.n,i))continue;h=a.f[e][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]==i)continue;a.j[h][l]>1&&(a.A[a.f[h][l]]==6?(a.s[e]|=Cab):!f9.Tn(a,a.i[h][l])&&f9.Mk(a,a.f[h][l])&&(a.s[e]|=cbb))}}}while(true){j=false;for(c=0;c<a.d;c++){if(a.k[c]>0&&(a.s[c]&cbb)!=0&&!f9.Sq(a.n,c)){for(k=0;k<a.g[c];k++){if(a.j[c][k]>1){h=a.f[c][k];i=a.i[c][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]!=i){g=a.f[h][l];if((a.s[g]&cbb)==0){a.s[g]|=cbb;j=true}}}}}}}if(!j)break}}a.R|=6};f9.Gm=function Gm(a,b){var c,d,e,f,g;c=-1;if(a.k[b]==1){for(f=0;f<a.g[b];f++){if(a.j[b][f]==2){d=a.f[b][f];if(a.g[d]==2&&a.k[d]==2){for(g=0;g<2;g++){e=a.f[d][g];if(e!=b&&a.k[e]==1){c=d;break}}}break}}}return c};f9.Hm=function Hm(a,b,c){var d,e;d=b;while(a.g[c]==2&&a.k[c]==2&&c!=d){e=c;c=a.f[c][0]==b?a.f[c][1]:a.f[c][0];b=e}return c==d?-1:c};f9.Im=function Im(a,b){var c;if(a.g[b]==3&&b<a.d&&f9.Sq(a.n,b)&&(!!a.n&&b<a.d?f9.Hq(a.n,b):0)>=5)for(c=0;c<a.g[b];c++)if(f9.Un(a,a.i[b][c]))return a.i[b][c];return -1};f9.Jm=function Jm(a,b,c,d,e){var f,g,h,i,j,k;f9.yt(a,7);if((a.s[b]&Tbb)==0||c&&!(b<a.d&&f9.Sq(a.n,b)))return;i=NM(a9.fO,aab,5,a.d,15,1);i[0]=b;d[b]=true;h=0;j=0;while(h<=j){for(k=0;k<a.g[i[h]];k++){g=a.i[i[h]][k];if(!e[g]&&(a.C[g]&64)!=0&&(!c||g<a.e&&f9.Tq(a.n,g))){e[g]=true;f=a.f[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};f9.Km=function Km(a,b){var c,d,e,f,g,h,i,j;a.n=new f9.er(a,b);d=NM(a9.fO,aab,5,a.d,15,1);for(e=0;e<a.e;e++){if(f9.Jq(a.n,e)!=0){a.C[e]|=64;++d[a.B[0][e]];++d[a.B[1][e]]}}for(c=0;c<a.d;c++){d[c]==2?(a.s[c]|=Hab):d[c]==3?(a.s[c]|=dbb):d[c]>3&&(a.s[c]|=Tbb)}for(j=0;j<a.n.i.a.length;j++){g=f9.Lq(a.n,j);i=f9.Mq(a.n,j);h=g.length;for(f=0;f<h;f++){a.s[g[f]]|=8;a.C[i[f]]|=128;a.F[i[f]]==386&&(a.F[i[f]]=2)}}};f9.Lm=function Lm(a){var b,c,d,e,f,g,h,i;h=NM(a9.zS,uab,5,a.o,16,1);for(c=0;c<a.o;c++)h[c]=a.A[c]==1&&a.v[c]==0&&a.q[c]==0&&(a.s[c]&Hbb)==0&&(a.r==null||a.r[c]==null);i=NM(a9.zS,uab,5,a.o,16,1);for(g=0;g<a.p;g++){d=a.B[0][g];e=a.B[1][g];if(f9.kk(a,g)!=1){h[d]=false;h[e]=false;continue}i[d]&&(h[d]=false);i[e]&&(h[e]=false);h[d]&&f9.Pk(a,e)&&a.A[e]!=13&&(h[d]=false);h[e]&&f9.Pk(a,d)&&a.A[d]!=13&&(h[e]=false);i[d]=true;i[e]=true}for(f=0;f<a.p;f++){if(h[a.B[0][f]]&&h[a.B[1][f]]){h[a.B[0][f]]=false;h[a.B[1][f]]=false}}for(b=0;b<a.o;b++)i[b]||(h[b]=false);return h};f9.Mm=function Mm(a,b){return a.c[b]};f9.Nm=function Nm(a,b){return a.f[b].length};f9.Om=function Om(a,b){return a.c[b]-f9.un(a,b)+f9.pn(a,b)};f9.Pm=function Pm(a){var b,c;f9.yt(a,7);b=0;for(c=0;c<a.n.i.a.length;c++)f9.Rq(a.n,c)&&++b;return b};f9.Qm=function Qm(a,b){var c,d;c=0;for(d=0;d<a.g[b];d++)f9.Mk(a,a.f[b][d])&&!f9.Hk(a,a.i[b][d])&&++c;return c};f9.Rm=function Rm(a,b){return a.k[b]};f9.Sm=function Sm(a,b){f9.yt(a,7);return a.k[b]==2&&a.g[b]==2?f9.mo(a,b,false):f9.oo(a,b,false)};f9.Tm=function Tm(a,b){var c;c=a.s[b]&Tbb;return c==0?0:c==Hab?2:c==dbb?3:4};f9.Um=function Um(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o;f9.yt(a,7);f=NM(a9.zS,uab,5,a.e,16,1);l=NM(a9.zS,uab,5,a.e,16,1);o=NM(a9.fO,aab,5,a.d,15,1);g=0;for(h=1;h<a.g[b];h++){d=a.i[b][h];if((a.C[d]&64)!=0){for(j=0;j<h;j++){e=a.i[b][j];if((a.C[e]&64)!=0){l[d]=true;l[e]=true;n=f9.xn(a,o,a.f[b][h],a.f[b][j],c-2,null,l);l[d]=false;l[e]=false;if(n!=-1){i=false;m=NM(a9.fO,aab,5,n,15,1);f9.yn(a,o,m,n);for(k=0;k<n;k++){if(!f[m[k]]){f[m[k]]=true;i=true}}i&&++g}}}}}return g};f9.Vm=function Vm(a,b){return !!a.n&&b<a.d?f9.Hq(a.n,b):0};f9.Wm=function Wm(a,b){if(b){f9.yt(a,1);return f9._j(a,a.d,a.e,f9.Zi)}else{return f9._j(a,a.o,a.p,f9.Zi)}};f9.Xm=function Xm(a){var b,c,d,e,f,g,h,i;f9.yt(a,1);h=NM(a9.eO,ubb,5,a.d,15,1);d=NM(a9.fO,aab,5,a.d,15,1);for(i=0;i<a.d;i++){d[0]=i;e=NM(a9.fO,aab,5,a.d,15,1);e[i]=1;c=0;f=0;while(c<=f){for(g=0;g<a.g[d[c]];g++){b=a.f[d[c]][g];if(e[b]==0){e[b]=e[d[c]]+1;d[++f]=b;h[i]+=e[b]-1}}++c}h[i]/=f}return h};f9.Ym=function Ym(a,b,c){var d;for(d=0;d<a.f[b].length;d++)if(a.f[b][d]==c)return a.i[b][d];return -1};f9.Zm=function Zm(a,b){return !!a.n&&b<a.e?f9.Jq(a.n,b):0};f9.$m=function $m(a,b,c){return a.f[b][c]};f9._m=function _m(a,b){return a.g[b]};f9.an=function an(a,b,c){return a.i[b][c]};f9.bn=function bn(a,b,c){return a.j[b][c]};f9.cn=function cn(a,b){var c,d;c=0;if(a.I)for(d=0;d<a.g[b];d++)_S(GS(a.w[a.f[b][d]],vab),0)&&++c;return c};f9.dn=function dn(a,b){return a.c[b]-a.g[b]};f9.en=function en(a,b,c,d,e){var f,g,h,i;g=a.c[b];if(a.k[b]!=0||b<a.d&&f9.Sq(a.n,b)||a.g[b]<3||g>4)return false;i=NM(a9.zS,uab,5,4,16,1);for(h=0;h<g;h++){f=3.9269908169872414-d[h];if($wnd.Math.abs(Ubb-f%Aab)>0.0872664675116539)return false;e[h]=3&aO(f/Aab);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(!f9.Wk(a,a.i[b][c[h]],b))return false}}return i[0]&&i[2]};f9.fn=function fn(a,b,c,d,e){var f,g,h,i,j,k,l,m;if((!!a.n&&b<a.d?f9.Hq(a.n,b):0)>24)return 3;f=a.c[b];e==null&&(e=NM(a9.fO,aab,5,f,15,1));if(!f9.en(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};f9.gn=function gn(a,b,c){var d,e,f,g;g=g=NM(a9.zS,uab,5,a.o,16,1);f=f9.hn(a,b,c,g);e=NM(a9.fO,aab,5,f,15,1);f=0;for(d=0;d<a.o;d++)g[d]&&(e[f++]=d);return e};f9.hn=function hn(a,b,c,d){var e,f,g,h,i,j,k;f9.yt(a,1);d==null&&(d=NM(a9.zS,uab,5,a.o,16,1));i=NM(a9.fO,aab,5,a.o,15,1);i[0]=b;d[b]=true;g=0;j=0;h=1;while(g<=j){f=c?f9.Nm(a,i[g]):a.c[i[g]];for(k=0;k<f;k++){e=a.f[i[g]][k];if(e<d.length&&!d[e]){i[++j]=e;d[e]=true;++h}}++g}return h};f9.jn=function jn(a,b,c,d){var e,f,g,h,i,j,k,l,m;f9.yt(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]&wbb)!=0)){b[e]=j;k=NM(a9.fO,aab,5,a.o,15,1);k[0]=e;i=0;l=0;while(i<=l){h=d?f9.Nm(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]&wbb)!=0)){k[++l]=g;b[g]=j}}++i}++j}}return j};f9.kn=function kn(a,b){var c;return c=f9.uk(a,b),c+f9.sk(a,b,c,a.A[b])-f9.vn(a,b)};f9.ln=function ln(a,b){var c,d,e,f,g,h;f=NM(a9.fO,aab,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};f9.mn=function mn(a){return f9.ln(a,f9.Lm(a))};f9.nn=function nn(a,b,c){var d,e,f;e=f9.vn(a,b);e-=f9.sk(a,b,e,a.A[b]);c&&(e-=a.c[b]-a.g[b]);f=f9.om(a.A[b]);if(e<=f[0])return -1;for(d=1;d<f.length;d++)if(f[d]>=e)return f[d];return e};f9.on=function on(a){var b,c;if(a.I)return 0;f9.yt(a,1);c=0;for(b=0;b<a.d;b++)c+=f9.pn(a,b);return c};f9.pn=function pn(a,b){var c,d,e,f,g,h,i;if(a.I&&QS(GS(a.w[b],dbb),0))return 0;if(!f9.zo(a,b))return 0;if(a.A[b]==0||b9.jW('*',a.r==null?null:a.r[b]==null?null:b9.iW((f=a.r[b],y9.BZ(),f))))return a.c[b]==0?1:0;f9.yt(a,1);h=0;for(e=0;e<a.c[b];e++)h+=a.j[b][e];if(a.I){c=1;for(d=0;d<a.g[b];d++)a.F[a.i[b][d]]==8&&++c;h+=c>>1}h-=f9.sk(a,b,h,a.A[b]);g=((a.s[b]&Hbb)>>>27)-1;if(g==-1){i=f9.om(a.A[b]);g=i[0];for(d=1;g<h&&d<i.length;d++)g=i[d]}return $wnd.Math.max(0,g-h)};f9.qn=function qn(a,b){var c,d,e,f,g;if(!a.I||a.t==null||a.t[b]==null)return f9.rn(a,b,a.A[b]);g=0;for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];g=$wnd.Math.max(g,f9.rn(a,b,c))}return g};f9.rn=function rn(a,b,c){var d,e,f,g,h;f=f9.vn(a,b);d=f9.sk(a,b,f,c);g=((a.s[b]&Hbb)>>>27)-1;if(g==-1){h=f9.om(a.A[b]);e=0;while(f>h[e]+d&&e<h.length-1)++e;g=h[e]}return g+d-f};f9.sn=function sn(a,b){return a.f[b].length-a.c[b]};f9.tn=function tn(a){var b,c,d,e;f9.yt(a,1);e=0;for(b=0;b<a.o;b++){d=a.v[b]!=0?a.v[b]:f9.Yi[a.A[b]];e+=d+f9.pn(a,b)*f9.Yi[1];if(a.A[b]>=171&&a.A[b]<=190){c=a.c[b];c>2&&(e-=(c-2)*f9.Yi[1])}}return e};f9.un=function un(a,b){var c,d;c=a.g[b];for(d=0;d<a.g[b];d++)a.A[a.f[b][d]]==1&&--c;return c};f9.vn=function vn(a,b){var c,d,e,f,g,h;a.zb(1);g=false;d=false;h=0;for(e=0;e<a.c[b];e++){if(!a.I||QS(GS(a.w[a.f[b][e]],vab),0)){f=a.j[b][e];h+=f;f>1&&(g=true);c=a.i[b][e];a.F[c]==8&&(d=true)}}d&&!g&&++h;return h};f9.wn=function wn(a,b,c){var d,e,f;e=0;for(f=0;f<a.g[b];f++){d=a.f[b][f];d!=c&&a.g[d]>2&&++e}return e};f9.xn=function xn(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p;if(c==d){b[0]=c;return 0}a.zb(1);k=NM(a9.fO,aab,5,a.o,15,1);j=NM(a9.fO,aab,5,a.o,15,1);p=NM(a9.fO,aab,5,a.o,15,1);j[0]=c;k[c]=1;i=0;l=0;while(i<=l&&k[j[i]]<=e){o=j[i];for(m=0;m<a.c[o];m++){if(g==null||g.length<=a.i[o][m]||!g[a.i[o][m]]){h=a.f[o][m];if(h==d){n=k[o];b[n]=h;b[--n]=o;while(n>0){b[n-1]=p[b[n]];--n}return k[o]}if(k[h]==0&&(f==null||f.length<=h||!f[h])){j[++l]=h;k[h]=k[o]+1;p[h]=o}}}++i}return -1};f9.yn=function yn(a,b,c,d){var e,f;f9.yt(a,1);for(e=0;e<d;e++){for(f=0;f<a.c[b[e]];f++){if(a.f[b[e]][f]==b[e+1]){c[e]=a.i[b[e]][f];break}}}};f9.zn=function zn(a,b,c){var d,e,f,g,h,i;if(b==c)return 0;f9.yt(a,1);g=NM(a9.fO,aab,5,a.o,15,1);f=NM(a9.fO,aab,5,a.o,15,1);f[0]=b;g[b]=1;e=0;h=0;while(e<=h){for(i=0;i<a.c[f[e]];i++){d=a.f[f[e]][i];if(d==c)return g[f[e]];if(g[d]==0){f[++h]=d;g[d]=g[f[e]]+1}}++e}return -1};f9.An=function An(a,b,c,d,e){var f,g,h,i,j,k;if(b==c)return 0;a.zb(1);i=NM(a9.fO,aab,5,a.o,15,1);h=NM(a9.fO,aab,5,a.o,15,1);h[0]=b;i[b]=1;g=0;j=0;while(g<=j&&i[h[g]]<=d){for(k=0;k<a.c[h[g]];k++){f=a.f[h[g]][k];if(f==c)return i[h[g]];if(i[f]==0&&(e==null||e.length<=f||!e[f])){h[++j]=f;i[f]=i[h[g]]+1}}++g}return -1};f9.Bn=function Bn(a,b){return a.c[b]-a.g[b]+f9.pn(a,b)};f9.Cn=function Cn(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;o=NM(a9.fO,aab,5,16,15,1);c=NM(a9.dO,ebb,5,16,15,1);f=NM(a9.dO,ebb,5,2,15,1);d=0;for(k=0;k<2;k++){e=a.B[k][b];for(l=0;l<a.g[e];l++){i=a.i[e][l];if(i==b)continue;if(d==4)return 0;h=a.f[e][l];o[d]=16;a.k[h]!=0&&(o[d]+=(a.s[h]&Tbb)!=0?1:4);if((a.C[b]&64)!=0&&(a.C[i]&64)!=0){m=f9.Pq(a.n,b,i);m!=-1&&(o[d]+=f9.Rq(a.n,m)?64:6)}c[d++]=f9.pm(a.H[e].a,a.H[e].b,a.H[h].a,a.H[h].b)}}f[0]=f9.bk(a,a.B[0][b],a.B[1][b]);if(f[0]<0){f[1]=f[0]+zab;g=false}else{f[1]=f[0];f[0]=f[1]-zab;g=true}n=0;for(j=0;j<d;j++){c[j]>f[0]&&c[j]<f[1]?(n-=o[j]):(n+=o[j])}return g?-n:n};f9.Dn=function Dn(a){f9.yt(a,7);return a.n};f9.En=function En(a){var b,c,d,e,f,g,h,i,j;j=0;f9.yt(a,7);for(d=0;d<a.e;d++){if(f9.kk(a,d)==1&&(a.C[d]&64)==0){h=true;for(g=0;g<2;g++){b=a.B[g][d];if(a.g[b]==1){h=false;break}if(a.A[b]==7&&!(b<a.d&&f9.Sq(a.n,b))){c=a.B[1-g][d];for(i=0;i<a.g[c];i++){e=a.f[c][i];f=a.i[c][i];if(f!=d&&f9.kk(a,f)>1&&!(e<a.d&&f9.Sq(a.n,e))&&f9.Mk(a,e)){h=false;break}}}}h&&!f9.ao(a,d)&&++j}}return j};f9.Fn=function Fn(a,b,c){var d,e,f,g,h,i;e=0;for(f=0;f<a.g[b];f++){d=a.f[b][f];if(d!=c){g=0;for(h=0;h<a.g[d];h++){i=a.f[d][h];i!=b&&f9.Tn(a,a.i[d][h])&&a.g[i]>2&&++g}g==2&&++e}}return e};f9.Gn=function Gn(a,b){var c,d,e,f;c=a.c[b];f=NM(a9.fO,aab,5,c,15,1);for(e=0;e<c;e++)f[e]=(a.f[b][e]<<16)+e;e9.r8(f,e9.X8(xT(g9.n1.prototype.hc,g9.n1,[])));for(d=0;d<c;d++)f[d]&=U9;return f};f9.Hn=function Hn(a,b){var c,d;f9.yt(a,1);if(a.g[b]==2&&a.j[b][0]==2&&a.j[b][1]==2){for(c=0;c<2;c++)for(d=0;d<a.c[a.f[b][c]];d++)if(f9.Wk(a,a.i[a.f[b][c]][d],a.f[b][c]))return a.i[a.f[b][c]][d]}else{for(c=0;c<a.c[b];c++)if(f9.Wk(a,a.i[b][c],b))return a.i[b][c]}return -1};f9.In=function In(a,b,c){if(f9.kk(a,b)!=1)return 0;return 16-a.c[c]+16*$wnd.Math.max(0,$wnd.Math.min(9,!!a.n&&b<a.e?f9.Jq(a.n,b):0)-2)+((a.F[b]&384)==0||a.B[0][b]!=c?Nbb:0)+((a.s[c]&3)==0?Cab:0)+(a.A[c]==1?dbb:0)+(a.c[c]==1?Hab:0)+((a.C[b]&64)!=0?0:512)+(a.A[c]!=6?256:0)};f9.Jn=function Jn(a,b,c,d,e,f){var g,h,i,j,k;f9.yt(a,1);if(e){f9.qj(e);e.b=null;e.I=false}i=NM(a9.fO,aab,5,a.o,15,1);d==null?(d=NM(a9.zS,uab,5,a.o,16,1)):g9.P0(d,d.length);i[0]=b;i[1]=c;d[b]=true;d[c]=true;h=1;j=1;while(h<=j){for(k=0;k<a.c[i[h]];k++){g=a.f[i[h]][k];if(g==b){if(h!=1)return -1}if(!d[g]){d[g]=true;i[++j]=g}}++h}if(e){f==null&&(f=NM(a9.fO,aab,5,d.length,15,1));f9.Dm(a,e,d,false,f);f9.nj(e,f[b],0,0,-1,0)}d[b]=false;return j};f9.Kn=function Kn(a,b,c){var d,e,f,g,h,i;f9.yt(a,1);f=NM(a9.fO,aab,5,a.d,15,1);i=NM(a9.zS,uab,5,a.d,16,1);f[0]=b;f[1]=c;i[b]=true;i[c]=true;e=1;g=1;while(e<=g){for(h=0;h<a.g[f[e]];h++){d=a.f[f[e]][h];if(d==b){if(e!=1)return -1}if(!i[d]){i[d]=true;f[++g]=d}}++e}return g};f9.Ln=function Ln(a,b,c){var d,e,f,g,h,i,j,k,l,m,n;if(f9.kk(a,c)!=2&&!(c<a.e&&f9.Tq(a.n,c)))return -1;n=a.C[c]&3;if(n!=1&&n!=2)return -1;for(i=0;i<2;i++){d=a.B[i][c];e=a.B[1-i][c];m=-1;g=false;for(k=0;k<a.g[d];k++){f=a.f[d][k];f!=e&&(f==b?(g=true):(m=f))}if(g){l=-1;h=-1;for(j=0;j<a.g[e];j++){f=a.f[e][j];if(f!=d){if(l==-1)l=f;else if(f>l)h=f;else{h=l;l=f}}}if(a.g[d]==2){if(a.g[e]==2)return n==2?l:-1;return n==2?l:h}else{if(a.g[e]==2)return n==2^b<m?-1:l;return n==2^b<m?h:l}}}return -1};f9.Mn=function Mn(a){var b,c,d,e,f,g,h,i,j,k;g=f9.Lm(a);i=a.o;do --i;while(i>=0&&g[i]);for(b=0;b<i;b++){if(g[b]){f9.am(a,b,i);k=g[b];g[b]=g[i];g[i]=k;do --i;while(g[i])}}a.d=i+1;if(a.o==a.d){a.e=a.p;return}h=NM(a9.zS,uab,5,a.p,16,1);for(f=0;f<a.p;f++){c=a.B[0][f];d=a.B[1][f];(g[c]||g[d])&&(h[f]=true)}j=a.p;do --j;while(j>=0&&h[j]);for(e=0;e<j;e++){if(h[e]){f9.bm(a,e,j);h[e]=false;do --j;while(h[j])}}a.e=j+1};f9.Nn=function Nn(a,b){var c;for(c=0;c<a.g[b];c++)if(a.q[a.f[b][c]]<0)return true;return false};f9.On=function On(a,b){var c;for(c=0;c<a.g[b];c++)if(a.q[a.f[b][c]]>0)return true;return false};f9.Pn=function Pn(a,b){var c;c=a.A[b];return c==3||c==11||c==19||c==37||c==55||c==87};f9.Qn=function Qn(a,b){return (a.s[b]&Cab)!=0};f9.Rn=function Rn(a,b){var c,d,e,f,g,h;f9.yt(a,1);for(g=0;g<2;g++){c=a.B[g][b];if(a.A[c]==7){d=a.B[1-g][b];for(h=0;h<a.g[d];h++){e=a.f[d][h];f=a.i[d][h];if((a.A[e]==7||a.A[e]==8||a.A[e]==16)&&f9.kk(a,f)>=2)return true}}}return false};f9.Sn=function Sn(a,b){return b<a.d&&f9.Sq(a.n,b)};f9.Tn=function Tn(a,b){return b<a.e&&f9.Tq(a.n,b)};
|
|
81
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-
f9.Un=function Un(a,b){var c,d,e,f,g,h;if(a.F[b]!=1||b<a.e&&f9.Tq(a.n,b)||(a.C[b]&64)!=0&&(!!a.n&&b<a.e?f9.Jq(a.n,b):0)<7)return false;c=a.B[0][b];if(!(c<a.d&&f9.Sq(a.n,c))||(!!a.n&&c<a.d?f9.Hq(a.n,c):0)<5)return false;d=a.B[1][b];if(!(d<a.d&&f9.Sq(a.n,d))||(!!a.n&&d<a.d?f9.Hq(a.n,d):0)<5)return false;e=f9.wn(a,c,d);f=f9.wn(a,d,c);if((!!a.n&&c<a.d?f9.Hq(a.n,c):0)>5&&(!!a.n&&d<a.d?f9.Hq(a.n,d):0)>5)return e+f>2;g=f9.Fn(a,c,d);h=f9.Fn(a,d,c);if(e==2&&h>=1)return true;if(f==2&&g>=1)return true;if(g==2&&(f>=1||h>=1))return true;if(h==2&&(e>=1||g>=1))return true;return false};f9.Vn=function Vn(a,b){return a.k[b]==2&&a.g[b]==2&&a.j[b][0]==2&&a.j[b][1]==2&&a.A[b]<=7};f9.Wn=function Wn(a,b){var c;c=a.A[b];return c==8||c==16||c==34||c==52||c==84};f9.Xn=function Xn(a,b){return b<a.e&&(f9.Xq(a.n,b)||a.F[b]==8)};f9.Yn=function Yn(a,b){var c;c=a.A[b];return c==4||c==12||c==20||c==38||c==56||c==88};f9.Zn=function Zn(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;if(a.A[b]!=7||a.g[b]==4)return false;if(b<a.d&&f9.Sq(a.n,b)||a.k[b]!=0||_S(GS(a.w[b],bbb),0))return true;if(a.q[b]==1)return false;for(i=0;i<a.g[b];i++)if(f9.Zm(a,a.i[b][i])==3)return false;g=0;for(j=0;j<a.g[b];j++){if(a.j[b][j]==1){d=a.A[a.f[b][j]];(d==8||d==9||d==17)&&++g}}if(g==0){for(h=0;h<a.g[b];h++){e=a.f[b][h];if(a.k[e]!=0){if(e<a.d&&f9.Sq(a.n,e)){if((!!a.n&&e<a.d?f9.Hq(a.n,e):0)>=5){p=0;for(m=0;m<a.g[e];m++){o=a.f[e][m];o!=b&&f9.un(a,o)>=3&&++p}n=f9.un(a,b);if(p==2&&n>=2||p==1&&n==3)continue}return !c||!f9.co(a,b)}for(l=0;l<a.g[e];l++){if(a.j[e][l]==2||f9.Tn(a,a.i[e][l]))return !c||!f9.co(a,b)}}}}if(g<2){for(h=0;h<a.g[b];h++){e=a.f[b][h];k=false;f=false;for(l=0;l<a.g[e];l++){if(a.f[e][l]!=b){a.j[e][l]!=1&&(a.A[a.f[e][l]]==7||a.A[a.f[e][l]]==8||a.A[a.f[e][l]]==16)&&(k=true);a.j[e][l]==1&&a.A[a.f[e][l]]==7&&(f=true)}}if(k&&(!f||g==0))return !c||!f9.co(a,b)}}return false};f9.$n=function $n(a,b){var c;c=a.A[b];return c==9||c==17||c==35||c==53||c==85};f9._n=function _n(a,b){var c;c=a.A[b];return 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d,e,f,g,h,i,j,k;j=-1;e=0;for(h=0;h<2;h++){d=a.f[b][h];for(i=0;i<a.c[d];i++){f=a.f[d][i];if(f!=b){g=a.i[d][i];k=f9.In(a,g,f);if(e<k&&(!c||!(a.F[g]==257||a.F[g]==129))){e=k;j=g}}}}return j};f9.no=function no(a,b){var c,d,e,f,g,h,i,j;i=-1;d=0;for(g=0;g<2;g++){c=a.B[g][b];for(h=0;h<a.c[c];h++){e=a.f[c][h];if(e!=a.B[1-g][b]){f=a.i[c][h];j=f9.In(a,f,e);if(d<j){d=j;i=f}}}}return i};f9.oo=function oo(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;d=a.c[b];e=NM(a9.dO,ebb,5,d,15,1);for(n=0;n<d;n++)e[n]=f9.bk(a,b,a.f[b][n]);for(o=1;o<d;o++){for(p=0;p<o;p++){f=$wnd.Math.abs(f9.qm(e[o],e[p]));if(f<0.08||f>Vbb){g=0;h=0;for(q=0;q<d;q++){if(q!=o&&q!=p){g+=$wnd.Math.abs(o9.YJ(e[o],e[q]));h+=$wnd.Math.abs(o9.YJ(e[p],e[q]))}}j=g<h?a.i[b][o]:a.i[b][p];if(f9.kk(a,j)==1&&(!c||!(a.F[j]==257||a.F[j]==129)))return j}}}r=-1;i=0;for(m=0;m<d;m++){k=a.f[b][m];l=a.i[b][m];s=f9.In(a,l,k);if(i<s&&(!c||!(a.F[l]==257||a.F[l]==129))){i=s;r=l}}return r};f9.po=function po(a,b){var c,d,e,f;f9.yt(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=f9.nn(a,d,false);a.c[d]=a.g[d];if(c!=-1){f=f9.nn(a,d,true);if(c!=f){e=((a.s[d]&Hbb)>>>27)-1;(e==-1||e<c)&&f9.kl(a,d,c)}}}}b&&f9.xo(a);a.R=0};f9.qo=function qo(a,b,c,d){var e,f,g,h;f9.yt(b,1);for(f=0;f<c;f++){if(d[f]!=-1&&a.A[f]!=1&&a.c[f]!=f9.Mm(b,d[f])){e=f9.nn(a,f,false);if(e!=-1){h=f9.nn(b,d[f],false);if(e!=h){g=f9.Gj(b,d[f]);(g==-1||g<e)&&f9.kl(b,d[f],e)}}}}};f9.ro=function ro(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o,p;for(h=0;h<c;h++){if(d[h]!=-1&&a.c[h]>3&&(a.s[h]&Mbb)!=0){p=0;m=-1;l=-1;for(k=0;k<a.c[h];k++){if(e[a.i[h][k]]!=-1)++p;else if(a.j[h][k]==1&&f9.Vk(a,a.i[h][k])&&a.B[0][a.i[h][k]]==h){m=a.i[h][k];l=a.f[h][k]}}if(m!=-1&&p>=3){f=f9.pm(a.H[h].a,a.H[h].b,a.H[l].a,a.H[l].b);n=10;o=-1;for(j=0;j<a.c[h];j++){if(a.j[h][j]==1&&(!f9.Vk(a,a.i[h][j])||a.B[0][a.i[h][j]]==h)&&e[a.i[h][j]]!=-1){g=$wnd.Math.abs(f9.qm(f,f9.bk(a,h,a.f[h][j])));if(n>g){n=g;o=a.i[h][j]}}}if(o!=-1){i=e[o];f9.Pl(b,i,a.F[o]==257?129:257);if(a.B[0][o]!=h){f9.Gl(b,1,i,d[a.B[0][o]]);f9.Gl(b,0,i,d[h])}}}}}};f9.so=function so(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){f9.xl(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=f9.In(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=L9;for(n=0;n<a.g[t];n++){g=a.f[t][n];g!=b&&i>g&&(i=g)}r=NM(a9.fO,aab,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=f9.pm(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=f9.qm(c,f9.bk(a,q,r[0]));p=f9.qm(c,f9.bk(a,q,r[1]));e=j-p}else{e=f9.qm(c,f9.bk(a,q,r[0]))}e<0^(a.s[b]&3)==1^i==u?(a.F[v]=257):(a.F[v]=129)};f9.to=function to(a,b,c,d){var e,f,g,h,i,j;e=a.c[b];h=NM(a9.fO,aab,5,e,15,1);j=f9.fn(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};f9.uo=function uo(a,b){a.R|=248&(8|b)};f9.vo=function vo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;f9.Cm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){f9.so(a,b);return}if(a.g[b]<3||a.g[b]>4){f9.xl(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(f9.kk(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=f9.Gn(a,b);d=NM(a9.dO,ebb,5,c,15,1);for(h=0;h<c;h++)d[h]=f9.bk(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&f9.kk(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?f9.Hq(a.n,b):0)<=24&&f9.to(a,b,p,d))return;m=f9.oo(a,b,true);if(m==-1)return;if(a.B[0][m]!=b){a.B[1][m]=a.B[0][m];a.B[0][m]=b}n=-1;for(j=0;j<c;j++){if(m==a.i[b][p[j]]){n=j;break}}q=VM(HM(a9.fO,2),sbb,6,0,[VM(HM(a9.fO,1),aab,5,15,[2,1,2,1]),VM(HM(a9.fO,1),aab,5,15,[1,2,2,1]),VM(HM(a9.fO,1),aab,5,15,[1,1,2,2]),VM(HM(a9.fO,1),aab,5,15,[2,1,1,2]),VM(HM(a9.fO,1),aab,5,15,[2,2,1,1]),VM(HM(a9.fO,1),aab,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=yab);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<zab||d[1]>d[2]&&d[1]-d[2]>zab;break;case 1:k=d[2]-d[0]>zab;break;case 2:k=d[1]-d[0]<zab;}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};f9.wo=function wo(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||!f9.Un(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&&f9.kk(a,h)==1){g=a.f[d][o];w=f9.In(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&&f9.kk(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=L9;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=NM(a9.fO,aab,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=f9.pm(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=f9.qm(f,f9.bk(a,s,q[0]));p=f9.qm(f,f9.bk(a,s,q[1]));c=j-p}else{c=f9.qm(f,f9.bk(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};f9.xo=function xo(a){var b,c,d,e;f9.yt(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++)f9.vo(a,b);for(e=0;e<a.e;e++)f9.wo(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};f9.yo=function yo(b,c){var d,e,f,g,h,i,j,k,l,m;i=NM(a9.fO,aab,5,b.o,15,1);h=f9.jn(b,i,false,c);if(h<=1)return null;j=NM(a9.fO,aab,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]==16||i[b.B[0][g]]!=l)&&(b.F[g]=512);f=f9.rj(b);b.R=0;try{f9.Am(b,true,true)}catch(a){a=DS(a);if(!TN(a,13))throw ES(a)}return f};f9.zo=function zo(a,b){if((a.s[b]&Hbb)!=0)return true;if(a.A[b]<=1)return false;return f9.Rk(a,b)||a.A[b]==13||a.A[b]>=171};f9.Ao=function Ao(a){var b,c,d,e,f,g,h,i,j,k;f=f9._j(a,a.o,a.p,f9.Zi);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 ES(new b9.MK('The distance between two atoms is too close.'))}}f9.yt(a,1);b=0;for(c=0;c<a.d;c++){if(f9.vn(a,c)>(h=f9.uk(a,c),h+f9.sk(a,c,h,a.A[c])))throw ES(new b9.MK('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw ES(new b9.MK('unbalanced atom charge'))};f9.Bo=function Bo(a){var b,c;if(!a.I)return;f9.yt(a,7);for(b=0;b<a.d;b++){if((a.s[b]&Tbb)!=0){QS(GS(a.w[b],120),8)&&(a.w[b]=GS(a.w[b],-9));a.w[b]=GS(a.w[b],-4294967297)}b<a.d&&f9.Sq(a.n,b)?(a.w[b]=GS(a.w[b],{l:4194297,m:Sbb,h:1048571})):_S(GS(a.w[b],2),0)&&(a.w[b]=GS(a.w[b],-5));(_S(GS(a.w[b],abb),0)||_S(GS(a.w[b],eab),0)&&QS(GS(a.w[b],fab),0))&&QS(GS(a.w[b],120),8)&&(a.w[b]=GS(a.w[b],-9));a.q[b]!=0&&(a.w[b]=GS(a.w[b],-234881025));if(f9.vn(a,b)==(c=f9.uk(a,b),c+f9.sk(a,b,c,a.A[b]))){a.w[b]=GS(a.w[b],-4063233);a.w[b]=GS(a.w[b],-17042430230529);a.w[b]=GS(a.w[b],-1921);a.w[b]=GS(a.w[b],-114689)}_S(GS(a.w[b],vab),0)&&a.u[b]!=0&&f9.el(a,a.u[b])}};f9.Co=function Co(a){var b,c,d;if(!a.I)return;f9.yt(a,7);for(b=0;b<a.e;b++){d=IV(a.D[b]&127);if((b<a.e&&(f9.Xq(a.n,b)||a.F[b]==8))&(a.D[b]&8)!=0){a.D[b]&=-9;--d}if(d!=0){c=a.F[b]&127;c==1?(a.D[b]|=1):c==2?(a.D[b]|=2):c==4?(a.D[b]|=4):c==32?(a.D[b]|=32):c==64?(a.D[b]|=64):c==16?(a.D[b]|=16):c==8&&(a.D[b]|=8)}}};f9.Do=function Do(a,b,c){var d;d=f9.dm(a,b,c);if(d&&c==386){f9.yt(a,7);d=d&(a.C[b]&128)==0}return d};f9.Eo=function Eo(){f9.gm.call(this)};f9.Fo=function Fo(a,b){f9.hm.call(this,a,b)};f9.Go=function Go(a){f9.hm.call(this,!a?256:a.K,!a?256:a.L);!!a&&f9.vj(a,this)};uT(79,70,{79:1,70:1,4:1});_.zb=function Ho(a){f9.Fm(this,a)};_.yb=function Io(a){return f9.Xn(this,a)};_.d=0;_.e=0;a9.CO=NU(79);f9.Jo=function Jo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};f9.Ko=function Ko(a,b){var c,d;c=b;d=0;while(b!=0){if(a.d==0){a.f=(a.c[++a.e]&63)<<11;a.d=6}d|=(T9&a.f)>>16-c+b;a.f<<=1;--b;--a.d}return d};f9.Lo=function Lo(a,b,c){a.d=6;a.e=c;a.c=b;a.f=(b[a.e]&63)<<11};f9.Mo=function Mo(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32;c=f*a/(d-a);return e?-c:c};f9.No=function No(a){var b,c,d,e;if(a.g.I){for(b=0;b<a.g.p;b++){d=f9.mk(a.g,b);if((d&31)==0)continue;c=-1;e=0;if((d&16)!=0){c=16;++e}if((d&64)!=0){c=64;++e}if((d&32)!=0){c=32;++e}if((d&4)!=0){c=4;++e}if((d&2)!=0){c=2;++e}if((d&8)!=0){c=8;++e}if((d&1)!=0){c=1;++e}if(c!=-1){f9.Pl(a.g,b,c);e==1&&f9.Ol(a.g,b,31,false)}}}};f9.Oo=function Oo(a,b){var c;return b==null||e9.X8(b).length==0?null:f9.Qo(a,e9.y8((c=b,y9.BZ(),c)))};f9.Po=function Po(a,b,c){var d,e;return b==null?null:f9.Ro(a,e9.y8((e=b,y9.BZ(),e)),c==null?null:e9.y8((d=c,d)),0)};f9.Qo=function Qo(a,b){var c;if(b==null||b.length==0)return null;for(c=2;c<b.length-2;c++)if(b[c]==32)return f9.Ro(a,b,b,c+1);return f9.Ro(a,b,null,0)};f9.Ro=function Ro(a,b,c,d){var e,f,g,h,i;if(b==null)return null;f9.Lo(a,b,0);e=f9.Ko(a,4);h=f9.Ko(a,4);e>8&&(e=h);f=f9.Ko(a,e);g=f9.Ko(a,h);i=new f9.Qt(f,g);f9.So(a,i,b,c,d);return i};f9.So=function So(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,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,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac,Bc,Cc,Dc,Ec,Fc;f9.qj(c);c.b=null;if(d==null||0>=d.length)return;b.g=c;zc=8;e!=null&&(f<0||f>=e.length)&&(e=null);f9.Lo(b,d,0);i=f9.Ko(b,4);B=f9.Ko(b,4);if(i>8){zc=i;i=B}if(i==0){f9.Rl(b.g,f9.Ko(b,1)==1);return}j=f9.Ko(b,i);k=f9.Ko(b,B);mc=f9.Ko(b,i);qc=f9.Ko(b,i);pc=f9.Ko(b,i);O=f9.Ko(b,i);for(o=0;o<j;o++)f9.bj(b.g,6);for(nb=0;nb<mc;nb++)f9.Fl(b.g,f9.Ko(b,i),7);for(ob=0;ob<qc;ob++)f9.Fl(b.g,f9.Ko(b,i),8);for(zb=0;zb<pc;zb++)f9.Fl(b.g,f9.Ko(b,i),f9.Ko(b,8));for(Kb=0;Kb<O;Kb++)f9.ml(b.g,f9.Ko(b,i),f9.Ko(b,4)-8);P=1+k-j;W=f9.Ko(b,4);A=0;f9.Cl(b.g,0,0);f9.Dl(b.g,0,0);f9.El(b.g,0,0);X=e!=null&&e[f]>=39;yc=0;Bc=0;Dc=0;Fc=0;S=false;T=false;if(X){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){T=true;S=e.length==3*j-3+9;dc=S?3*j-3:2*j-2;w=86*(e[dc+1]-40)+e[dc+2]-40;yc=$wnd.Math.pow(10,w/2000-1);dc+=2;Ac=86*(e[dc+1]-40)+e[dc+2]-40;Bc=$wnd.Math.pow(10,Ac/1500-1);dc+=2;Cc=86*(e[dc+1]-40)+e[dc+2]-40;Dc=$wnd.Math.pow(10,Cc/1500-1);if(S){dc+=2;Ec=86*(e[dc+1]-40)+e[dc+2]-40;Fc=$wnd.Math.pow(10,Ec/1500-1)}}else{S=e.length==3*j-3}}if(b.Ab()&&S){e=null;X=false}for(Vb=1;Vb<j;Vb++){$=f9.Ko(b,W);if($==0){if(X){f9.Cl(b.g,Vb,f9.Wj(b.g,0)+8*(e[Vb*2-2]-83));f9.Dl(b.g,Vb,f9.Xj(b.g,0)+8*(e[Vb*2-1]-83));S&&f9.El(b.g,Vb,f9.Yj(b.g,0)+8*(e[2*j-3+Vb]-83))}++P;continue}A+=$-1;if(X){f9.Cl(b.g,Vb,f9.Wj(b.g,A)+e[Vb*2-2]-83);f9.Dl(b.g,Vb,f9.Xj(b.g,A)+e[Vb*2-1]-83);S&&f9.El(b.g,Vb,f9.Yj(b.g,A)+(e[2*j-3+Vb]-83))}f9.dj(b.g,A,Vb,1)}for($b=0;$b<P;$b++)f9.dj(b.g,f9.Ko(b,i),f9.Ko(b,i),1);ec=NM(a9.zS,uab,5,k,16,1);for(I=0;I<k;I++){J=f9.Ko(b,2);switch(J){case 0:ec[I]=true;break;case 2:f9.Pl(b.g,I,2);break;case 3:f9.Pl(b.g,I,4);}}h=f9.Ko(b,i);for(_b=0;_b<h;_b++){n=f9.Ko(b,i);if(zc==8){rc=f9.Ko(b,2);if(rc==3){f9.rl(b.g,n,1,0);f9.xl(b.g,n,1,false)}else{f9.xl(b.g,n,rc,false)}}else{rc=f9.Ko(b,3);switch(rc){case 4:f9.xl(b.g,n,1,false);f9.rl(b.g,n,1,f9.Ko(b,3));break;case 5:f9.xl(b.g,n,2,false);f9.rl(b.g,n,1,f9.Ko(b,3));break;case 6:f9.xl(b.g,n,1,false);f9.rl(b.g,n,2,f9.Ko(b,3));break;case 7:f9.xl(b.g,n,2,false);f9.rl(b.g,n,2,f9.Ko(b,3));break;default:f9.xl(b.g,n,rc,false);}}}zc==8&&f9.Ko(b,1)==0&&(b.g.J=true);g=f9.Ko(b,B);for(ac=0;ac<g;ac++){D=f9.Ko(b,B);if(f9.nk(b.g,D)==1){rc=f9.Ko(b,3);switch(rc){case 4:f9.Ml(b.g,D,1,false);f9.Jl(b.g,D,1,f9.Ko(b,3));break;case 5:f9.Ml(b.g,D,2,false);f9.Jl(b.g,D,1,f9.Ko(b,3));break;case 6:f9.Ml(b.g,D,1,false);f9.Jl(b.g,D,2,f9.Ko(b,3));break;case 7:f9.Ml(b.g,D,2,false);f9.Jl(b.g,D,2,f9.Ko(b,3));break;default:f9.Ml(b.g,D,rc,false);}}else{f9.Ml(b.g,D,f9.Ko(b,2),false)}}f9.Rl(b.g,f9.Ko(b,1)==1);m=null;wc=null;oc=0;while(f9.Ko(b,1)==1){V=oc+f9.Ko(b,4);switch(V){case 0:nc=f9.Ko(b,i);for(bc=0;bc<nc;bc++){n=f9.Ko(b,i);f9.yl(b.g,n,dbb,true)}break;case 1:nc=f9.Ko(b,i);for(cc=0;cc<nc;cc++){n=f9.Ko(b,i);kc=f9.Ko(b,8);f9.wl(b.g,n,kc)}break;case 2:nc=f9.Ko(b,B);for(pb=0;pb<nc;pb++){f9.Ko(b,B)}break;case 3:nc=f9.Ko(b,i);for(qb=0;qb<nc;qb++){n=f9.Ko(b,i);f9.yl(b.g,n,Cab,true)}break;case 4:nc=f9.Ko(b,i);for(rb=0;rb<nc;rb++){n=f9.Ko(b,i);vc=cT(SS(f9.Ko(b,4)),3);f9.yl(b.g,n,vc,true)}break;case 5:nc=f9.Ko(b,i);for(sb=0;sb<nc;sb++){n=f9.Ko(b,i);l=cT(SS(f9.Ko(b,2)),1);f9.yl(b.g,n,l,true)}break;case 6:nc=f9.Ko(b,i);for(tb=0;tb<nc;tb++){n=f9.Ko(b,i);f9.yl(b.g,n,1,true)}break;case 7:nc=f9.Ko(b,i);for(ub=0;ub<nc;ub++){n=f9.Ko(b,i);kb=cT(SS(f9.Ko(b,4)),7);f9.yl(b.g,n,kb,true)}break;case 8:nc=f9.Ko(b,i);for(vb=0;vb<nc;vb++){n=f9.Ko(b,i);t=f9.Ko(b,4);r=NM(a9.fO,aab,5,t,15,1);for(fc=0;fc<t;fc++){s=f9.Ko(b,8);r[fc]=s}f9.sl(b.g,n,r)}break;case 9:nc=f9.Ko(b,B);for(wb=0;wb<nc;wb++){D=f9.Ko(b,B);vc=f9.Ko(b,2)<<7;f9.Ol(b.g,D,vc,true)}break;case 10:nc=f9.Ko(b,B);for(xb=0;xb<nc;xb++){D=f9.Ko(b,B);L=f9.Ko(b,5);f9.Ol(b.g,D,L,true)}break;case 11:nc=f9.Ko(b,i);for(yb=0;yb<nc;yb++){n=f9.Ko(b,i);f9.yl(b.g,n,cbb,true)}break;case 12:nc=f9.Ko(b,B);for(Ab=0;Ab<nc;Ab++){D=f9.Ko(b,B);M=f9.Ko(b,8)<<9;f9.Ol(b.g,D,M,true)}break;case 13:nc=f9.Ko(b,i);for(Bb=0;Bb<nc;Bb++){n=f9.Ko(b,i);sc=cT(SS(f9.Ko(b,3)),14);f9.yl(b.g,n,sc,true)}break;case 14:nc=f9.Ko(b,i);for(Cb=0;Cb<nc;Cb++){n=f9.Ko(b,i);lc=cT(SS(f9.Ko(b,5)),17);f9.yl(b.g,n,lc,true)}break;case 15:case 31:oc+=16;break;case 16:nc=f9.Ko(b,i);for(Db=0;Db<nc;Db++){n=f9.Ko(b,i);uc=cT(SS(f9.Ko(b,3)),22);f9.yl(b.g,n,uc,true)}break;case 17:nc=f9.Ko(b,i);for(Eb=0;Eb<nc;Eb++){n=f9.Ko(b,i);f9.kl(b.g,n,f9.Ko(b,4))}break;case 18:nc=f9.Ko(b,i);jc=f9.Ko(b,4);for(Fb=0;Fb<nc;Fb++){n=f9.Ko(b,i);U=f9.Ko(b,jc);gc=NM(a9.bO,vbb,5,U,15,1);for(fc=0;fc<U;fc++)gc[fc]=f9.Ko(b,7)<<24>>24;f9.pl(b.g,n,b9.iW((hc=gc,y9.BZ(),hc)))}break;case 19:nc=f9.Ko(b,i);for(Gb=0;Gb<nc;Gb++){n=f9.Ko(b,i);N=cT(SS(f9.Ko(b,3)),25);f9.yl(b.g,n,N,true)}break;case 20:nc=f9.Ko(b,B);for(Hb=0;Hb<nc;Hb++){D=f9.Ko(b,B);uc=f9.Ko(b,3)<<17;f9.Ol(b.g,D,uc,true)}break;case 21:nc=f9.Ko(b,i);for(Ib=0;Ib<nc;Ib++){n=f9.Ko(b,i);f9.zl(b.g,n,f9.Ko(b,2)<<4)}break;case 22:nc=f9.Ko(b,i);for(Jb=0;Jb<nc;Jb++){n=f9.Ko(b,i);f9.yl(b.g,n,bbb,true)}break;case 23:nc=f9.Ko(b,B);for(Lb=0;Lb<nc;Lb++){D=f9.Ko(b,B);f9.Ol(b.g,D,ybb,true)}break;case 24:nc=f9.Ko(b,B);for(Mb=0;Mb<nc;Mb++){D=f9.Ko(b,B);l=f9.Ko(b,2)<<21;f9.Ol(b.g,D,l,true)}break;case 25:for(Nb=0;Nb<j;Nb++)f9.Ko(b,1)==1&&f9.Al(b.g,Nb,true);break;case 26:nc=f9.Ko(b,B);m=NM(a9.fO,aab,5,nc,15,1);for(Ob=0;Ob<nc;Ob++)m[Ob]=f9.Ko(b,B);break;case 27:nc=f9.Ko(b,i);for(Pb=0;Pb<nc;Pb++){n=f9.Ko(b,i);f9.yl(b.g,n,vab,true)}break;case 28:nc=f9.Ko(b,B);for(Qb=0;Qb<nc;Qb++)f9.Pl(b.g,f9.Ko(b,B),16);break;case 29:nc=f9.Ko(b,i);for(Rb=0;Rb<nc;Rb++){n=f9.Ko(b,i);jb=cT(SS(f9.Ko(b,2)),30);f9.yl(b.g,n,jb,true)}break;case 30:nc=f9.Ko(b,i);for(Sb=0;Sb<nc;Sb++){n=f9.Ko(b,i);uc=cT(SS(f9.Ko(b,7)),32);f9.yl(b.g,n,uc,true)}break;case 32:nc=f9.Ko(b,i);for(Tb=0;Tb<nc;Tb++){n=f9.Ko(b,i);xc=cT(SS(f9.Ko(b,2)),44);f9.yl(b.g,n,xc,true)}break;case 33:nc=f9.Ko(b,i);for(Ub=0;Ub<nc;Ub++){n=f9.Ko(b,i);eb=cT(SS(f9.Ko(b,5)),39);f9.yl(b.g,n,eb,true)}break;case 34:nc=f9.Ko(b,i);for(Wb=0;Wb<nc;Wb++){n=f9.Ko(b,i);f9.yl(b.g,n,Fab,true)}break;case 35:nc=f9.Ko(b,B);for(Xb=0;Xb<nc;Xb++){D=f9.Ko(b,B);f9.Ol(b.g,D,Bbb,true)}break;case 36:nc=f9.Ko(b,B);for(Yb=0;Yb<nc;Yb++){D=f9.Ko(b,B);K=f9.Ko(b,2)<<5;f9.Ol(b.g,D,K,true)}break;case 37:nc=f9.Ko(b,B);for(Zb=0;Zb<nc;Zb++){D=f9.Ko(b,B);K=f9.Ko(b,1)==0?32:64;f9.Pl(b.g,D,K)}break;case 38:nc=f9.Ko(b,i);Q=f9.Ko(b,3);wc=NM(a9.fO,aab,5,j,15,1);for(mb=0;mb<nc;mb++)wc[f9.Ko(b,i)]=f9.Ko(b,Q);}}f9.be(new f9.oe(b.g),ec,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];f9.Pl(b.g,D,f9.nk(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){f9.Lo(b,e,f+1);S=f9.Ko(b,1)==1;T=f9.Ko(b,1)==1;tc=2*f9.Ko(b,4);C=1<<tc;hb=0;D=0;for(p=1;p<j;p++){if(D<k&&f9.ck(b.g,1,D)==p){hb=f9.ck(b.g,0,D++);gb=1}else{hb=0;gb=8}Y=gb*(f9.Ko(b,tc)+1-(C>>1));Z=gb*(f9.Ko(b,tc)+1-(C>>1));f9.Cl(b.g,p,f9.Wj(b.g,hb)+Y);f9.Dl(b.g,p,f9.Xj(b.g,hb)+Z);S&&f9.El(b.g,p,f9.Yj(b.g,hb)+gb*(f9.Ko(b,tc)+1-(C>>1)))}if(e[f]==35){lb=0;ib=NM(a9.fO,aab,5,j,15,1);for(q=0;q<j;q++)lb+=ib[q]=f9.pn(b.g,q);for(n=0;n<j;n++){for(mb=0;mb<ib[n];mb++){kb=f9.bj(b.g,1);f9.dj(b.g,n,kb,1);f9.Cl(b.g,kb,f9.Wj(b.g,n)+(f9.Ko(b,tc)+1-(C>>1)));f9.Dl(b.g,kb,f9.Xj(b.g,n)+(f9.Ko(b,tc)+1-(C>>1)));S&&f9.El(b.g,kb,f9.Yj(b.g,n)+(f9.Ko(b,tc)+1-(C>>1)));wc!=null&&(wc[n]&1<<mb)!=0&&f9.Al(b.g,kb,true)}}j+=lb;k+=lb}v=S?1.5:(f9.$i(),f9.$i(),f9.Zi);u=f9._j(b.g,j,k,v);if(T){yc=f9.Jo(f9.Ko(b,tc),C);Bc=yc*f9.Mo(f9.Ko(b,tc),C);Dc=yc*f9.Mo(f9.Ko(b,tc),C);S&&(Fc=yc*f9.Mo(f9.Ko(b,tc),C));gb=yc/u;for(n=0;n<j;n++){f9.Cl(b.g,n,Bc+gb*f9.Wj(b.g,n));f9.Dl(b.g,n,Dc+gb*f9.Xj(b.g,n));S&&f9.El(b.g,n,Fc+gb*f9.Yj(b.g,n))}}else{yc=1.5;gb=yc/u;for(n=0;n<j;n++){f9.Cl(b.g,n,gb*f9.Wj(b.g,n));f9.Dl(b.g,n,gb*f9.Xj(b.g,n));S&&f9.El(b.g,n,gb*f9.Yj(b.g,n))}}}else{S&&!T&&yc==0&&(yc=1.5);if(yc!=0&&b.g.p!=0){u=0;for(D=0;D<b.g.p;D++){ab=f9.Wj(b.g,f9.ck(b.g,0,D))-f9.Wj(b.g,f9.ck(b.g,1,D));bb=f9.Xj(b.g,f9.ck(b.g,0,D))-f9.Xj(b.g,f9.ck(b.g,1,D));cb=S?f9.Yj(b.g,f9.ck(b.g,0,D))-f9.Yj(b.g,f9.ck(b.g,1,D)):0;u+=$wnd.Math.sqrt(ab*ab+bb*bb+cb*cb)}u/=b.g.p;fb=yc/u;for(n=0;n<b.g.o;n++){f9.Cl(b.g,n,f9.Wj(b.g,n)*fb+Bc);f9.Dl(b.g,n,f9.Xj(b.g,n)*fb+Dc);S&&f9.El(b.g,n,f9.Yj(b.g,n)*fb+Fc)}}}}catch(a){a=DS(a);if(TN(a,13)){db=a;b9.uK(db,(b9.UW(),b9.TW),'');'Faulty id-coordinates:'+db+' '+b9.iW((ic=d,y9.BZ(),ic))+' '+b9.iW((hc=e,hc));String.fromCharCode(10);e=null;S=false}else throw ES(a)}}R=e!=null&&!S;f9.No(b);if(R||b.Ab()){f9.yt(b.g,7);for(D=0;D<b.g.e;D++)f9.kk(b.g,D)==2&&!f9.io(b.g,D)&&f9.lk(b.g,D)==0&&f9.Nl(b.g,D)}f9.uo(b.g,0);if(!R&&b.Ab()){try{b.Bb(b.g);R=true}catch(a){a=DS(a);if(TN(a,13)){db=a;b9.uK(db,(b9.UW(),b9.TW),'');'2D-coordinate creation failed:'+db+' '+b9.iW((hc=d,y9.BZ(),hc));String.fromCharCode(10)}else throw ES(a)}}if(R){f9.xo(b.g);f9.Lt(b.g)}else S||f9.uo(b.g,0)};f9.To=function To(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;f9.Lo(a,b,0);h=f9.Ko(a,4);e=f9.Ko(a,1)==1;f=f9.Ko(a,1)==1;for(c=0;c<a.g.d;c++){g=f9.Ko(a,h);d=e;e&&f&&(d=f9.Ko(a,1)==1);f9.ul(a.g,c,g,d)}};f9.Uo=function Uo(){};uT(185,1,{},f9.Uo);_.Ab=function Vo(){return false};_.Bb=function Wo(a){throw ES(new b9.MK('Unexpected request to invent coordinates. Check source code logic!'))};_.d=0;_.e=0;_.f=0;_.i=false;a9.DO=NU(185);f9.Xo=function Xo(a){};f9.Yo=function Yo(a){f9.Xo(this);this.b=a};uT(58,185,{},f9.Yo);_.Ab=function Zo(){return this.b};_.Bb=function $o(a){var b;b=new i9.uv(this.a);b.g=new g9.Q4(78187493520);i9.bv(b,a)};_.a=2;_.b=false;a9.EO=NU(58);f9._o=function _o(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=_S(GS(f9.Uj(a.k,e),1),0);f=f9.Pj(a.k,e);l=f!=null?f9.gp(a,e,f,d):j?'*':f9.Oj(a.k,e);!j&&f==null&&f9.Sn(a.k,e)&&(a.j&4)==0&&(f9.Rm(a.k,e)!=0||f9.Gj(a.k,e)==-1&&f9.Vj(a.k,e)==0)&&(l=e9.X8(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&f9.dp(a,f9.Ym(a.k,b.a,b.g),b.g,c);g=f9.Ij(a.k,e);if(g==0&&(a.j&1)!=0){h=GS(f9.Uj(a.k,e),Iab);LS(h,Lab)==0?(g=-1):LS(h,Kab)==0&&(g=1)}k=f9.Sj(a.k,e);m=(a.j&2)!=0?f9.Rj(a.k,e):0;o=(a.j&1)!=0?f9.mp(a,e,d):null;r=!j&&!f9.tp(f9.Zj(a.k,e))||f!=null||(f9.Tj(a.k,e)==1||f9.Tj(a.k,e)==2)&&(q=f9.Nj(a.k,e)-1,!(q!=-1&&a.i[q][f9.Mj(a.k,e)]<=1))&&(f9.Zj(a.k,e)!=7||f9.Ij(a.k,e)>0)||f9.Sn(a.k,e)&&f9.Rm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||f9.Gj(a.k,e)!=-1||f9.Vj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(f9.Tj(a.k,e)==1||f9.Tj(a.k,e)==2)&&(p=f9.Nj(a.k,e)-1,!(p!=-1&&a.i[p][f9.Mj(a.k,e)]<=1))&&(f9.Zj(a.k,e)!=7||f9.Ij(a.k,e)>0)&&b9.MW(c,f9.lp(a,e,n));if((a.j&1)==0&&r){i=f9.Bn(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&b9.JW(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);f9.ep(a,b,c);b.e&&(c.a+=')',c)};f9.ap=function ap(a,b,c){var d,e,f,g,h;f=true;h=g9.ei(a.g,b).a;g=f9.pp(a,h);while(g!=-1){d=f9.$m(a.k,h,g);e=f9.an(a.k,h,g);g=f9.pp(a,d);f9.cp(a,new f9.ss(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};f9.bp=function bp(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&Wbb)!=0^c?2:1}};f9.cp=function cp(a,b,c){g9.$h(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[f9.Ym(a.k,b.a,b.g)]=true)};f9.dp=function dp(a,b,c,d){var e,f,g,h,i;i=e9.X8(d.a).length;a.f[b]!=0&&b9.IW(d,a.f[b]==1?47:92);if(a.j==1){e=f9.mk(a.k,b)&127;if(e!=0){(e&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((e&2)!=0){e9.X8(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((e&4)!=0){e9.X8(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((e&32)!=0){e9.X8(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((e&64)!=0){e9.X8(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((e&8)!=0){e9.X8(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((e&16)!=0){e9.X8(d.a).length!=i&&(d.a+=',',d);b9.MW(d,f9.Pk(a.k,c)?'<-':'->')}}}if(i==e9.X8(d.a).length&&(!f9.Tn(a.k,b)||(a.j&4)!=0)){f=f9.nk(a.k,b)&127;f==1?f9.Sn(a.k,f9.ck(a.k,0,b))&&f9.Sn(a.k,f9.ck(a.k,1,b))&&(a.j&4)==0&&a.f[b]==0&&(d.a+='-',d):f==2?(d.a+='=',d):f==4?(d.a+='#',d):f==32?(d.a+='$',d):f==64?(d.a+='$',d):f==8?(d.a+=':',d):f==16&&b9.MW(d,f9.Pk(a.k,c)?'<-':'->')}if(a.j==1){g=i==e9.X8(d.a).length?'':';';h=f9.mk(a.k,b)&384;h==256?(d.a+=g+'@',d):h==128&&(d.a+=g+'!@',d)}};f9.ep=function ep(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<f9._m(a.k,b.a);f++){if(b.c[e]==f9.$m(a.k,b.a,f)){d=f9.an(a.k,b.a,f);b.d[e]||f9.dp(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);b9.JW(c,a.e[d])}}}}};f9.fp=function fp(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 g9.ti;for(r=new g9.z0(a.g);r.a<r.c.a.length;){q=g9.y0(r);if(q.g!=-1){t=f9.Ym(a.k,q.a,q.g);if(!f9.Un(a.k,t)&&!f9.io(a.k,t)&&(f9.lk(a.k,t)==1||f9.lk(a.k,t)==2)){K=g9.ei(a.g,a.q[q.g]);c=NM(a9.fO,aab,5,f9._m(a.k,q.a)+f9._m(a.k,K.a)-2,15,1);B=0;L=false;if(K.g!=-1){c[B++]=K.b}else{u=-1;N=-1;v=L9;for(D=0;D<f9._m(a.k,K.a);D++){l=f9.$m(a.k,K.a,D);if(l!=q.a){if(u==-1){u=D;v=a.q[l]}else{if(v<a.q[l]){N=D}else{N=u;u=D}}}}if(N==-1){H=f9.$m(a.k,K.a,u);I=f9.an(a.k,K.a,u);c[B++]=I|(f9.rp(a,K.a,H)?Wbb:0)}else{m=f9.$m(a.k,K.a,u);o=f9.an(a.k,K.a,u);n=f9.$m(a.k,K.a,N);p=f9.an(a.k,K.a,N);c[B++]=o|(f9.rp(a,K.a,m)?Wbb:0);c[B++]=p|(f9.rp(a,K.a,n)?0:Wbb)}}if(f9._m(a.k,K.a)==3&&K.g!=-1){for(D=0;D<f9._m(a.k,K.a);D++){l=f9.$m(a.k,K.a,D);if(l!=K.g&&l!=q.a){d=f9.an(a.k,K.a,D);c[B++]=d|(f9.rp(a,K.a,l)?Wbb:0);l<K.g&&(L=!L);break}}}f9.lk(a.k,t)==2&&(L=!L);for(C=0;C<f9._m(a.k,q.a);C++){i=f9.$m(a.k,q.a,C);if(i!=q.g){A=L;if(f9._m(a.k,q.a)==3){for(G=0;G<f9._m(a.k,q.a);G++){l=f9.$m(a.k,q.a,G);if(l!=q.g&&l!=i){l<i&&(A=!A);break}}}if(f9.Kk(a.k,t)){w=f9.zf(a.d,t);if(!a.n[w]){a.n[w]=true;a.o[w]=A}a.o[w]&&(A=!A)}j=f9.Ym(a.k,q.a,i);c[B++]=j|(A^f9.rp(a,q.a,i)?0:Wbb)}}e9.p8(M.a,c)}}}a.f=NM(a9.fO,aab,5,a.k.e,15,1);M.a.length!=0&&f9.bp(a,g9.li(M,0),false);while(M.a.length!=0){O=M.a.length;for(C=M.a.length-1;C>=0;C--){c=(e9.L8(C,M.a.length),M.a[C]);J=0;F=false;k=false;for(f=c,g=0,h=f.length;g<h;++g){e=f[g];b=e&1073741823;if(a.f[b]!=0){s=(e&Wbb)!=0^a.f[b]==2;J==0?(F=s):F!=s&&(k=true);++J}}if(J!=0){c=g9.li(M,C);k||f9.bp(a,c,F)}}O==M.a.length&&f9.bp(a,g9.li(M,0),false)}};f9.gp=function gp(a,b,c,d){var e,f,g,h,i,j,k;k=e9.X8(d.a).length;0<k?(d.a=b9.vW(d.a,0,0)):0>k&&(d.a+=b9.AW(NM(a9.cO,ubb,5,-k,15,1)));i=f9.Sn(a.k,b)&&(a.j&4)==0;for(f=c,g=0,h=f.length;g<h;++g){e=f[g];e9.X8(d.a).length!=0&&(d.a+=',',d);j=(f9.$i(),f9.Ui)[e];b9.MW(d,i?e9.X8(j).toLowerCase():j)}return d.a};f9.hp=function hp(a){var b,c,d,e,f,g,h,i;if(!a.k||a.k.o==0)return '';f9.yt(a.k,15);a.d=new f9.Tf(a.k,129);e=a.d.S;a.o=NM(a9.zS,uab,5,e+1,16,1);a.n=NM(a9.zS,uab,5,e+1,16,1);a.i=LM(a9.fO,[sbb,aab],[6,5],15,[2,32],2);for(b=0;b<a.k.d;b++){i=f9.Nj(a.k,b)-1;i!=-1&&++a.i[i][f9.Mj(a.k,b)]}f9.kp(a);f9.ip(a);f9.fp(a);d=new b9.PW;c=new b9.PW;f=true;for(h=new g9.z0(a.g);h.a<h.c.a.length;){g=g9.y0(h);g.g==-1&&(f?(f=false):(d.a+='.',d));f9._o(a,g,d,c)}return d.a};f9.ip=function ip(a){var b,c,d,e,f,g,h,i,j,k,l;for(l=new g9.z0(a.g);l.a<l.c.a.length;){j=g9.y0(l);c=0;for(f=0;f<f9._m(a.k,j.a);f++)a.c[f9.an(a.k,j.a,f)]||++c;if(c!=0){j.c=NM(a9.fO,aab,5,c,15,1);c=0;for(g=0;g<f9._m(a.k,j.a);g++){if(!a.c[f9.an(a.k,j.a,g)]){i=f9.$m(a.k,j.a,g);j.c[c++]=a.q[i]<<16|i}}e9.r8(j.c,e9.X8(xT(g9.n1.prototype.hc,g9.n1,[])));for(e=0;e<j.c.length;e++)j.c[e]=U9&j.c[e]}}d=NM(a9.zS,uab,5,a.k.e,16,1);a.e=NM(a9.fO,aab,5,a.k.e,15,1);for(k=new g9.z0(a.g);k.a<k.c.a.length;){j=g9.y0(k);if(j.c!=null){j.d=NM(a9.zS,uab,5,j.c.length,16,1);for(e=0;e<j.c.length;e++){for(h=0;h<f9._m(a.k,j.a);h++){if(j.c[e]==f9.$m(a.k,j.a,h)){b=f9.an(a.k,j.a,h);if(a.c[b]){d[a.e[b]]=false}else{a.c[b]=true;j.d[e]=true;a.e[b]=1;while(d[a.e[b]])++a.e[b];d[a.e[b]]=true}}}}}}};
|
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82
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-
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|
83
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f9.xp(154,251.08075344),new f9.xp(155,252.084303),new f9.xp(156,253.08688),new f9.xp(157,254.0906)]),VM(HM(a9.GO,1),Ybb,3,0,[new f9.xp(139,237.06207),new f9.xp(140,238.06141),new f9.xp(141,239.062579),new f9.xp(142,240.062295),new f9.xp(143,241.063716),new f9.xp(144,242.063688713),new f9.xp(145,243.065421),new f9.xp(146,244.06599039),new f9.xp(147,245.068039),new f9.xp(148,246.068798807),new f9.xp(149,247.070992043),new f9.xp(150,248.07217808),new f9.xp(151,249.074846818),new f9.xp(152,250.076399951),new f9.xp(153,251.079580056),new f9.xp(154,252.081619582),new f9.xp(155,253.085126791),new f9.xp(156,254.087316198),new f9.xp(157,255.091039),new f9.xp(158,256.09344)]),VM(HM(a9.GO,1),Ybb,3,0,[new f9.xp(141,240.06892),new f9.xp(142,241.068662),new f9.xp(143,242.069699),new f9.xp(144,243.069631),new f9.xp(145,244.070969),new f9.xp(146,245.071317),new f9.xp(147,246.072965),new f9.xp(148,247.07365),new f9.xp(149,248.075458),new f9.xp(150,249.076405),new f9.xp(151,250.078654),new f9.xp(152,251.079983592),new f9.xp(153,252.082972247),new f9.xp(154,253.084817974),new f9.xp(155,254.088016026),new f9.xp(156,255.090266386),new f9.xp(157,256.093592),new f9.xp(158,257.095979)]),VM(HM(a9.GO,1),Ybb,3,0,[new f9.xp(142,242.07343),new f9.xp(143,243.07451),new f9.xp(144,244.074077),new f9.xp(145,245.075375),new f9.xp(146,246.075281634),new f9.xp(147,247.076819),new f9.xp(148,248.077184411),new f9.xp(149,249.079024),new f9.xp(150,250.079514759),new f9.xp(151,251.081566467),new f9.xp(152,252.082460071),new f9.xp(153,253.085176259),new f9.xp(154,254.086847795),new f9.xp(155,255.089955466),new f9.xp(156,256.091766522),new f9.xp(157,257.095098635),new f9.xp(158,258.097069),new f9.xp(159,259.100588)]),VM(HM(a9.GO,1),Ybb,3,0,[new f9.xp(144,245.081017),new f9.xp(145,246.081933),new f9.xp(146,247.081804),new f9.xp(147,248.082909),new f9.xp(148,249.083002),new f9.xp(149,250.084488),new f9.xp(150,251.084919),new f9.xp(151,252.08663),new f9.xp(152,253.08728),new f9.xp(153,254.089725),new f9.xp(154,255.091075196),new f9.xp(155,256.094052757),new f9.xp(156,257.095534643),new f9.xp(157,258.098425321),new f9.xp(158,259.100503),new f9.xp(159,260.103645)]),VM(HM(a9.GO,1),Ybb,3,0,[new f9.xp(147,249.087823),new f9.xp(148,250.087493),new f9.xp(149,251.08896),new f9.xp(150,252.088965909),new f9.xp(151,253.090649),new f9.xp(152,254.090948746),new f9.xp(153,255.093232449),new f9.xp(154,256.094275879),new f9.xp(155,257.096852778),new f9.xp(156,258.0982),new f9.xp(157,259.101024),new f9.xp(158,260.102636),new f9.xp(159,261.105743),new f9.xp(160,262.10752)]),VM(HM(a9.GO,1),Ybb,3,0,[new f9.xp(148,251.09436),new f9.xp(149,252.09533),new f9.xp(150,253.095258),new f9.xp(151,254.096587),new f9.xp(152,255.096769),new f9.xp(153,256.098763),new f9.xp(154,257.099606),new f9.xp(155,258.101883),new f9.xp(156,259.10299),new f9.xp(157,260.105572),new f9.xp(158,261.106941),new f9.xp(159,262.109692),new f9.xp(160,263.111394)]),VM(HM(a9.GO,1),Ybb,3,0,[new 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84
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-
f9.Ap=function Ap(a,b){f9.zp();var c,d;d=b-a;for(c=0;c<f9.yp[a].length;c++)if(f9.yp[a][c].b==d)return f9.yp[a][c].a;return NaN};f9.Bp=function Bp(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};f9.Cp=function Cp(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=NM(a9.fO,aab,5,c,15,1);c=0;for(b=0;b<a.a.length;b++)a.a[b]&&(a.b[c++]=b)};f9.Dp=function Dp(a,b){var c;f9.Cp(a);for(c=0;c<a.b.length;c++)if(b[a.b[c]])return true;return false};f9.Ep=function Ep(a){this.a=NM(a9.zS,uab,5,a,16,1)};uT(146,1,{146:1,27:1},f9.Ep);_.rb=function Fp(a){return f9.Bp(this,a)};a9.HO=NU(146);f9.Jp=function 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|
85
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-
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2:i=bT(i,1408);break;default:i=bT(i,896);}g=a.g[b];switch(g){case 0:i=bT(i,3932160);break;case 1:i=bT(i,3801088);break;case 2:i=bT(i,3538944);break;case 3:i=bT(i,3014656);break;default:i=bT(i,Rab);}d=f9.Qm(a,b);switch(d){case 0:i=bT(i,Tab);break;case 1:i=bT(i,Uab);break;case 2:i=bT(i,Vab);break;case 3:i=bT(i,Wab);break;default:i=bT(i,_ab);}h=a.k[b];switch(h){case 0:i=bT(i,98304);break;case 1:i=bT(i,81920);break;default:i=bT(i,49152);}}return i};f9.sr=function sr(a,b){var c;c=0;if(b<a.e&&(f9.Xq(a.n,b)||a.F[b]==8)||a.F[b]==8)c|=8;else switch(f9.kk(a,b)){case 0:c|=16;break;case 1:c|=1;break;case 2:c|=2;break;case 3:c|=4;break;case 4:c|=32;break;case 5:c|=64;}(a.C[b]&64)!=0?(c|=256):a.I||(c|=128);b<a.e&&f9.Tq(a.n,b)?(c|=Oab):a.I||(c|=mcb);return c};f9.tr=function tr(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=NM(a9.fO,aab,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)}}e9.r8(a,e9.X8(xT(g9.n1.prototype.hc,g9.n1,[])));return a};f9.ur=function ur(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=NM(a9.fO,aab,5,b.length-g,15,1);i=0;for(h=0;h<b.length;h++){if(b[h]!=-1){j[i]=f9.Jt(a.g,h)<<16|f9.Jt(a.G,b[h]);++i}}e9.r8(j,e9.X8(xT(g9.n1.prototype.hc,g9.n1,[])));return j};f9.vr=function vr(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;f=false;for(e=0;e<2;e++){c=f9.ck(a.g,e,b);k=a.F[c];if(f9._m(a.G,k)>2){m=f9.ck(a.g,1-e,b);i=L9;for(h=0;h<f9._m(a.g,c);h++){d=f9.$m(a.g,c,h);d!=m&&i>d&&(i=d)}n=a.F[m];j=L9;for(g=0;g<f9._m(a.G,k);g++){l=f9.$m(a.G,k,g);l!=n&&j>l&&(j=l)}a.F[i]!=j&&(f=!f)}}return f};f9.wr=function wr(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:f9.Nm(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(f9.ir(a,c[g],a.r[g])){a.F[a.r[g]]=c[g];b[c[g]]=true;++g}}}else{if(f9.$m(a.G,a.F[a.t[g]],c[g])>=a.G.d){++c[g];continue}f=f9.$m(a.G,a.F[a.t[g]],c[g]);if(a.s[g]){f==a.F[a.r[g]]&&f9.jr(a,f9.an(a.G,a.F[a.t[g]],c[g]),a.u[g])&&++g}else{if(!b[f]){if(f9.ir(a,f,a.r[g])&&f9.jr(a,f9.an(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(f9.pr(a,d)&&f9.or(a,d)&&f9.nr(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};f9.xr=function xr(a){return f9.qr(a,1,a.c)>0};f9.yr=function yr(a,b){var c;for(c=0;c<b.length;c++)if(b[c]==a)return true;return false};f9.zr=function zr(a,b){var c,d,e;e=0;for(d=0;d<a.length;d++){c=a[d];while(b[e]<c){++e;if(e==b.length)return false}if(b[e]>c)return false}return true};f9.Ar=function Ar(a,b){var c,d,e,f,g,h,i,j;g=false;if(f9.Rm(a.g,b)==0){for(f=1;f<f9._m(a.g,b);f++){for(h=0;h<f;h++){d=f9.$m(a.g,b,f);e=f9.$m(a.g,b,h);a.F[d]>a.F[e]^d>e&&(g=!g)}}}else{for(f=0;f<f9._m(a.g,b);f++){c=f9.$m(a.g,b,f);j=0;i=NM(a9.fO,aab,5,3,15,1);for(h=0;h<f9._m(a.g,c);h++){i[j]=f9.$m(a.g,c,h);i[j]!=b&&++j}j==2&&a.F[i[0]]>a.F[i[1]]^i[0]>i[1]&&(g=!g)}}return g};f9.Br=function Br(a,b){var c,d,e,f;e=0;f=0;while(e<a.length&&f<b.length){c=a[e];d=b[f];if(c==d)return true;c<d?++e:++f}return false};f9.Cr=function Cr(a,b){var c,d,e,f,g;if(!b||b.o==0||!b.I){a.g=null;return}a.g=b;a.q=false;f9.yt(a.g,1);a.M=7;for(d=0;d<a.g.d;d++)_S(GS(f9.Uj(a.g,d),{l:cbb,m:0,h:3}),0)&&(a.M=15);for(g=0;g<a.g.e;g++)(f9.mk(a.g,g)&ybb)!=0&&(a.M=15);a.K&&a.M!=7&&f9.yt(a.G,a.M);a.o=0;a.p=0;a.C=NM(a9.zS,uab,5,a.g.d,16,1);for(e=0;e<a.g.d;e++){a.C[e]=_S(GS(f9.Uj(a.g,e),vab),0);a.C[e]&&++a.o}a.d=0;a.f=null;if(a.o!=0){for(f=0;f<a.g.e;f++)(a.C[f9.ck(a.g,0,f)]||a.C[f9.ck(a.g,1,f)])&&++a.p;for(c=0;c<a.g.o;c++)f9.vl(a.g,c,a.C[c]);a.f=NM(a9.fO,aab,5,a.g.o,15,1);a.d=f9.jn(a.g,a.f,true,false)}};f9.Dr=function Dr(a,b){if(!b||b.o==0){a.G=null;return}a.G=b;a.K=false;f9.yt(a.G,1)};f9.Er=function Er(a,b){if(!a.K){f9.Hr(a,b);a.K=true}if(!a.q){f9.Fr(a,b);f9.lr(a);f9.kr(a);a.q=true}};f9.Fr=function Fr(a,b){var c,d,e,f,g,h,i,j,k,l;f=null;i=null;g=null;f9.yt(a.g,a.M);a.n=NM(a9.fO,aab,5,a.g.d,15,1);for(d=0;d<a.g.d;d++)a.n[d]=f9._m(a.g,d);if(a.o!=0){j=new f9.Qt(a.g.o,a.g.p);l=NM(a9.zS,uab,5,a.g.o,16,1);for(e=0;e<a.g.o;e++)l[e]=!a.C[e];f9.Dm(a.g,j,l,true,null);f9.yt(j,a.M);f9.Gr(a,j,b);f=a.i;i=a.k;g=a.j;k=0;for(c=0;c<a.g.d;c++)a.C[c]||(a.n[c]=f9._m(j,k++))}f9.Gr(a,a.g,b);if(a.o!=0){k=0;for(c=0;c<a.g.o;c++){if(!a.C[c]){a.i[c]=f[k];a.j[c]=g[k++]}}k=0;for(h=0;h<a.g.p;h++){!a.C[f9.ck(a.g,0,h)]&&!a.C[f9.ck(a.g,1,h)]&&(a.k[h]=i[k++])}}};f9.Gr=function Gr(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;p=b.d;a.i=NM(a9.gO,ubb,5,b.d,14,1);a.j=NM(a9.fO,aab,5,b.d,15,1);for(h=0;h<p;h++){a.i[h]=kT(GS(bT(f9.rr(b,h),b.w[h]),ncb),ocb);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=NM(a9.gO,ubb,5,b.d,14,1);r=(f9.yt(b,7),b.n);for(o=0;o<r.i.a.length;o++){n=false;for(j=g9.ei(r.j,o),k=0,l=j.length;k<l;++k){m=j[k];if((b.D[m]&gbb)!=0){n=true;break}}if(!n){s=g9.ei(r.j,o).length;for(e=g9.ei(r.i,o),f=0,g=e.length;f<g;++f){d=e[f];s==3?(a.A[d]=bT(a.A[d],gab)):s==4?(a.A[d]=bT(a.A[d],hab)):s==5?(a.A[d]=bT(a.A[d],iab)):s==6?(a.A[d]=bT(a.A[d],jab)):s==7&&(a.A[d]=bT(a.A[d],kab))}}}q=b.e;a.k=NM(a9.fO,aab,5,b.e,15,1);for(i=0;i<q;i++){a.k[i]=(f9.sr(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&&f9.Tq(b.n,i)&&(a.k[i]|=8)}};f9.Hr=function Hr(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;f9.yt(a.G,a.M);k=a.G.d;a.I=NM(a9.fO,aab,5,k,15,1);a.H=NM(a9.gO,ubb,5,k,14,1);for(g=0;g<k;g++){a.H[g]=kT(GS(bT(f9.rr(a.G,g),f9.Uj(a.G,g)),ncb),ocb);a.I[g]=f9.Zj(a.G,g);(b&1)!=0&&(a.I[g]+=f9.Ij(a.G,g)+16<<8);(b&2)!=0&&(a.I[g]+=f9.Sj(a.G,g)<<16)}a.L=NM(a9.gO,ubb,5,k,14,1);m=f9.Dn(a.G);for(j=0;j<m.i.a.length;j++){n=g9.ei(m.j,j).length;for(d=g9.ei(m.i,j),e=0,f=d.length;e<f;++e){h=d[e];n==3?(a.L[h]=bT(a.L[h],gab)):n==4?(a.L[h]=bT(a.L[h],hab)):n==5?(a.L[h]=bT(a.L[h],iab)):n==6?(a.L[h]=bT(a.L[h],jab)):n==7&&(a.L[h]=bT(a.L[h],kab))}}for(c=0;c<k;c++){n=f9.Vm(a.G,c);n==0?(a.L[c]=bT(a.L[c],fab)):n>7&&(a.L[c]=bT(a.L[c],lab))}l=a.G.e;a.J=NM(a9.fO,aab,5,l,15,1);for(i=0;i<l;i++)a.J[i]=(f9.sr(a.G,i)|f9.mk(a.G,i))&6422527^6291840};f9.Ir=function Ir(a,b,c,d,e,f,g){var h,i;h=f9.$m(a.g,a.r[b],d);if((!a.C[h]||a.f[h]==g)&&h!=a.t[b]){i=f9.an(a.g,a.r[b],d);if(!f[i]&&!f9.Hk(a.g,i)){a.r[++c]=h;a.t[c]=a.r[b];a.u[c]=i;f[i]=true;e[h]?(a.s[c]=true):(e[h]=true)}}return c};f9.Jr=function Jr(){this.c=8;this.N=new g9.h6(new o9.fK)};f9.Kr=function Kr(a,b){var c;c=NM(a9.fO,aab,5,b,15,1);b9.VW(a,0,c,0,$wnd.Math.min(a.length,b));return c};f9.Lr=function Lr(a,b){var c;c=NM(a9.zS,uab,5,b,16,1);b9.VW(a,0,c,0,$wnd.Math.min(a.length,b));return c};uT(101,1,{},f9.Jr);_.c=0;_.d=0;_.o=0;_.p=0;_.q=false;_.v=0;_.w=0;_.K=false;_.M=0;_.O=false;a9.QO=NU(101);f9.Mr=function Mr(){};uT(127,1,{127:1},f9.Mr);_.a=0;_.b=0;_.c=0;_.d=0;a9.OO=NU(127);
|
|
86
|
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Position:'+c));o=h==1?T9:h==2?Nbb:Bab;i||(o=GS(Mab,aT(o)));a.c=bT(a.c,o);continue}if(b[c]==36){if(!i)throw ES(new b9.MK('SmilesParser: non-negated recursive SMARTS relating to preceding atom are not supported yet. Position:'+c));!a.f&&(a.f=new g9.ti);c+=f9.Bs(a,b,c,a.f);continue}if(e&&(b[c]==59||b[c]==38)){++c;continue}if(e&&b[c]==44&&f9.ws(b,c,r)){c+=r[0]+1;continue}if(e&&b[c]==44&&(a.k&128)!=0){c+=1;break}if(b[c]==44)throw ES(new b9.MK("SmilesParser: alternative atom definitions not supported. (Tip: enumerate SMARTS): '"+String.fromCharCode(b[c]&U9)+wcb+c));throw ES(new b9.MK("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(b[c]&U9)+wcb+c))}return c};f9.ys=function ys(a,b,c,d){var e,f;d.d=true;d.c=true;if(a[b]==35){++b;d.a=0;d.b=1;while(b<c&&yU(a[b]&U9)){d.a=10*d.a+a[b]-48;++d.b;++b}if(d.a==0||d.a>=(f9.$i(),f9.Ui).length)throw ES(new b9.MK('SmilesParser: Atomic number out of range. position:'+(b-1)));return true}if(a[b]>=65&&a[b]<=90){d.b=a[b+1]>=97&&a[b+1]<=122?2:1;d.a=(f9.$i(),f9.rm(b9.AW(e9.w8(a,b,(f=d.b,y9.BZ(),f))),321));if(d.b==2&&d.a==0){d.b=1;d.a=f9.rm(b9.AW(e9.w8(a,b,(e=d.b,e))),321)}d.d=false;if(d.a==0)throw ES(new b9.MK('SmilesParser: Unknown atom label. position:'+(b-1)));return true}if(a[b]==65&&a[b+1]==115||a[b]==83&&a[b+1]==101){d.b=2;d.a=(f9.$i(),f9.rm(b9.AW(e9.w8(a,b,(e=d.b,y9.BZ(),e))),321));d.c=false;return true}if(a[b]==99||a[b]==110||a[b]==111||a[b]==112||a[b]==115){d.b=1;d.a=(f9.$i(),f9.rm(b9.AW(e9.w8(a,b,(e=d.b,y9.BZ(),e))),321));d.c=false;return true}return false};f9.zs=function zs(a,b,c,d,e){if(b[c-1]==42){a.d=6;a.c=bT(a.c,1)}else if(b[c-1]==63){a.d=0}else if((b[c-1]==65||b[c-1]==97)&&e){a.d=6;a.c=bT(a.c,1);a.c=bT(a.c,b[c-1]==65?4:2)}else{switch(String.fromCharCode(b[c-1]).toUpperCase().charCodeAt(0)){case 66:if(c<d&&b[c]==114){a.d=35;++c}else a.d=5;break;case 67:if(c<d&&b[c]==108){a.d=17;++c}else a.d=6;break;case 70:a.d=9;break;case 73:a.d=53;break;case 78:a.d=7;break;case 79:a.d=8;break;case 80:a.d=15;break;case 83:a.d=16;}}return c};f9.As=function As(a,b,c){var d,e;c[0]=0;if(a[b]==43||a[b]==45){e=a[b];d=1;++c[0];while(a[b+c[0]]==e){++d;++c[0]}if(d==1&&yU(a[b+1]&U9)){d=a[b+1]-48;++c[0]}return e==43?d:-d}return 0};f9.Bs=function Bs(a,b,c,d){var e,f,g,h,i;if(b[c+1]!=40)throw ES(new b9.MK("SmilesParser: '$' for recursive SMARTS must be followed by '('. position:"+c));h=1;f=c+2;while(f<b.length&&h>0){b[f]==40?++h:b[f]==41&&--h;++f}if(h>0)throw ES(new b9.MK("SmilesParser: Missing closing ')' for recursive SMARTS. '('-position:"+(c+1)));g=new f9.Qt(16,16);f9.Rl(g,true);i=new f9.ft(a.k);f9.bt(i,a.n.f);f9.Vs(i,g,b,c+2,f-1,true,true);e9.p8(d.a,g);if(b[c-1]==33)for(e=0;e<g.o;e++)f9.yl(g,e,vab,true);return f-c};f9.Cs=function Cs(a,b){this.n=a;this.k=b;this.j=(b&16)==0;this.d=-1;this.e=0;this.o=0;this.a=-1;this.g=-1;this.c=0};uT(169,1,{},f9.Cs);_.a=0;_.c=0;_.d=0;_.e=0;_.g=0;_.i=false;_.j=false;_.k=0;_.o=0;_.p=false;a9.UO=NU(169);f9.Ds=function Ds(){this.a=-1};uT(224,1,{},f9.Ds);_.a=0;_.b=0;_.c=false;_.d=false;a9.SO=NU(224);f9.Es=function Es(a,b,c){var d,e,f,g,h;a.a=false;a.d=b;if(yU(a.e[b]&U9)){h=f9.Fs(a);a.c=a.b=h;d=b-1;while(d>1&&BU(a.e[d-1]))--d;while(a.e[a.d]==44){g=true;f=b-d;for(e=0;e<f;e++){if(a.e[d+e]!==a.e[a.d+1+e]){g=false;break}}if(!g)break;a.d+=1+f;h=f9.Fs(a);a.c>h?(a.c=h):a.b<h&&(a.b=h)}return a.d-b}if(a.e[b]==123&&yU(a.e[b+1]&U9)){++a.d;a.c=f9.Fs(a);if(a.e[a.d++]!=45)return 0;if(!yU(a.e[a.d]&U9))return 0;a.b=f9.Fs(a);if(a.e[a.d++]!=125)return 0;return a.d-b}a.c=1;a.b=c;a.a=true;return 0};f9.Fs=function Fs(a){var b;b=a.e[a.d++]-48;yU(a.e[a.d]&U9)&&(b=10*b+(a.e[a.d++]-48));return b};f9.Gs=function Gs(a){return '{'+a.c+'-'+a.b+'}'};f9.Hs=function Hs(a){this.e=a};uT(225,1,{},f9.Hs);_.mb=function Is(){return f9.Gs(this)};_.a=false;_.b=0;_.c=0;_.d=0;a9.TO=NU(225);f9.Js=function Js(a,b){var c,d,e,f;f=false;a.b=b;f9.yt(a.b,15);c=a.b.d;d=a.b.e;a.j=NM(a9.zS,uab,5,d,16,1);for(e=0;e<d;++e)a.j[e]=false;a.g=NM(a9.zS,uab,5,c,16,1);a.c=NM(a9.fO,aab,5,c,15,1);for(e=0;e<c;++e){a.g[e]=false;a.c[e]=-1}a.e=NM(a9.DQ,S9,2,3*c,6,1);a.i=0;a.d=0;a.a=0;while(!f){for(e=0;e<c;++e){if(!a.g[e]){a.a>0&&(a.e[a.i++]='.');f9.Ls(a,e,-1);++a.a;break}}e==c&&(f=true)}a.f='';for(e=0;e<a.i;++e)a.f+=''+a.e[e];return a.f};f9.Ks=function Ks(a){switch(a){case 5:case 6:case 7:case 8:case 9:case 15:case 16:case 17:case 35:case 53:return true;default:return false;}};f9.Ls=function Ls(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;d=true;i=0;p=0;m=a.i;a.c[b]=m;h=f9.Zj(a.b,b);g=f9.Oj(a.b,b);e=f9.Ij(a.b,b);f=f9.Sj(a.b,b);k=f9._m(a.b,b);e==0&&f==0&&f9.Ks(h)&&(d=false);a.e[m]='';if(c!=-1){switch(f9.kk(a.b,c)){case 0:a.e[m]+='~';break;case 2:a.e[m]+='=';break;case 3:a.e[m]+='#';}}d&&(a.e[m]+='[');f!=0&&(a.e[m]+=''+f);a.e[m]+=''+g;if(d){if(0<(o=f9.pn(a.b,b))){a.e[m]+='H';1<o&&(a.e[m]+=o)}}if(e!=0){e>0?(a.e[m]+='+'):(a.e[m]+='-');$wnd.Math.abs(e)>1&&(a.e[m]+=''+$wnd.Math.abs(e))}d&&(a.e[m]+=']');c!=-1&&(a.j[c]=true);a.g[b]=true;++a.i;for(n=0;n<k;++n)a.j[f9.an(a.b,b,n)]||++i;for(n=0;n<k;++n){j=f9.$m(a.b,b,n);l=f9.an(a.b,b,n);if(a.j[l]){++p;continue}if(a.g[j]){++a.d;a.j[l]=true;switch(f9.kk(a.b,l)){case 0:a.e[a.c[j]]+='~';a.e[m]+='~';break;case 2:a.e[a.c[j]]+='=';a.e[m]+='=';break;case 3:a.e[a.c[j]]+='#';a.e[m]+='3';}if(a.d>9){a.e[a.c[j]]+='%';a.e[m]+='%'}a.e[a.c[j]]+=''+a.d;a.e[m]+=''+a.d;continue}n-p<i-1&&(a.e[a.i++]='(');f9.Ls(a,j,l);n-p<i-1&&(a.e[a.i++]=')')}};f9.Ms=function Ms(){};uT(160,1,{},f9.Ms);_.a=0;_.d=0;_.i=0;a9.WO=NU(160);f9.Ns=function Ns(a,b,c,d,e,f){var g;g=f9.dj(a.k,b,c,d);g9.j$(a.s,b+'_'+c,VM(HM(a9.fO,1),aab,5,15,[e,f]));g9.j$(a.s,c+'_'+b,VM(HM(a9.fO,1),aab,5,15,[e,f]));g9.s1(a.a,b);g9.s1(a.a,c);return g};f9.Os=function Os(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;j=NM(a9.fO,aab,5,a.k.d,15,1);h=NM(a9.fO,aab,5,a.k.d,15,1);i=NM(a9.fO,aab,5,a.k.d,15,1);k=NM(a9.fO,aab,5,a.k.d,15,1);c=f9.ck(a.k,0,b);d=f9.ck(a.k,1,b);h[0]=c;h[1]=d;i[0]=-1;i[1]=b;j[c]=1;j[d]=2;k[c]=-1;k[d]=c;g=1;l=1;while(g<=l&&j[h[g]]<15){o=h[g];for(m=0;m<f9._m(a.k,o);m++){e=f9.$m(a.k,o,m);if(e!=k[o]){f=f9.an(a.k,o,m);if(e==c){i[0]=f;for(n=0;n<=l;n++){if(!a.g[i[m]]){a.g[i[m]]=true;++a.c}}return}if(f9.Ok(a.k,e)&&j[e]==0){++l;h[l]=e;i[l]=f;j[e]=j[o]+1;k[e]=o}}}++g}return};f9.Ps=function Ps(a){var b,c,d,e,f,g,h,i,j,k,l,m,n;f9.yt(a.k,7);l=false;m=NM(a9.fO,aab,5,2,15,1);n=NM(a9.fO,aab,5,2,15,1);k=NM(a9.fO,aab,5,2,15,1);for(d=0;d<a.k.e;d++){if(!f9.io(a.k,d)&&f9.nk(a.k,d)==2){for(g=0;g<2;g++){m[g]=-1;k[g]=-1;b=f9.ck(a.k,g,d);for(j=0;j<f9._m(a.k,b);j++){e=f9.an(a.k,b,j);if(e!=d){if(m[g]==-1&&(f9.nk(a.k,e)==257||f9.nk(a.k,e)==129)){m[g]=f9.$m(a.k,b,j);n[g]=e}else{k[g]=f9.$m(a.k,b,j)}}}if(m[g]==-1)break}if(m[0]!=-1&&m[1]!=-1){i=f9.nk(a.k,n[0])==f9.nk(a.k,n[1]);for(h=0;h<2;h++)m[h]==f9.ck(a.k,0,n[h])&&(i=!i);for(f=0;f<2;f++)k[f]!=-1&&k[f]<m[f]&&(i=!i);f9.Ml(a.k,d,i?2:1,false);l=true}}}for(c=0;c<a.k.e;c++)(f9.nk(a.k,c)==257||f9.nk(a.k,c)==129)&&f9.Pl(a.k,c,1);return l};f9.Qs=function Qs(a){return a==61?2:a==35?4:a==36?32:a==58?8:a==62?16:a==126?31:1};f9.Rs=function Rs(a,b){var c,d,e,f,g,h,i,j,k,l,m;for(c=0;c<a.k.d;c++){if(f9.Ok(a.k,c)){i=NM(a9.fO,aab,5,a.k.d,15,1);h=NM(a9.fO,aab,5,a.k.d,15,1);j=NM(a9.fO,aab,5,a.k.d,15,1);h[0]=c;i[c]=1;j[c]=-1;g=0;k=0;while(g<=k){e=(i[h[g]]&1)==1?1:2;for(l=0;l<f9._m(a.k,h[g]);l++){d=f9.an(a.k,h[g],l);if(f9.kk(a.k,d)==e&&b[d]){f=f9.$m(a.k,h[g],l);if(i[f]==0){if(e==1&&f9.Ok(a.k,f)){m=h[g];while(m!=-1){f9.Pl(a.k,f9.Ym(a.k,f,m),e==1?2:1);e=3-e;f=m;m=j[m]}f9.vl(a.k,c,false);f9.vl(a.k,f,false);a.b-=2;return true}h[++k]=f;j[f]=h[g];i[f]=i[h[g]]+1}}}++g}}}return false};f9.Ss=function Ss(a){var b,c,d,e;for(b=0;b<a.k.d;b++){if(f9.Zj(a.k,b)==7&&f9.Ij(a.k,b)==0&&f9.vn(a.k,b)>3&&f9.Rm(a.k,b)>0){for(e=0;e<f9._m(a.k,b);e++){c=f9.$m(a.k,b,e);d=f9.an(a.k,b,e);if(f9.kk(a.k,d)>1&&f9.Mk(a.k,c)){f9.nk(a.k,d)==4?f9.Pl(a.k,d,2):f9.Pl(a.k,d,1);f9.ml(a.k,b,f9.Ij(a.k,b)+1);f9.ml(a.k,c,f9.Ij(a.k,c)-1);f9.kl(a.k,b,-1);break}}}}};f9.Ts=function Ts(a){return !a.r?'':'Unresolved SMARTS features:'+a.r};
|
|
87
|
-
f9.Us=function Us(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,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U;f9.yt(a.k,1);a.g=NM(a9.zS,uab,5,a.k.e,16,1);a.c=0;for(l=0;l<a.k.e;l++){if(f9.nk(a.k,l)==8){f9.Pl(a.k,l,1);a.g[l]=true;++a.c}}t=NM(a9.zS,uab,5,a.k.d,16,1);U=new f9.er(a.k,3);s=NM(a9.zS,uab,5,U.i.a.length,16,1);for(Q=0;Q<U.i.a.length;Q++){S=g9.ei(U.i,Q);s[Q]=true;for(A=S,D=0,H=A.length;D<H;++D){v=A[D];if(!f9.Ok(a.k,v)){s[Q]=false;break}}if(s[Q]){for(B=S,F=0,I=B.length;F<I;++F){v=B[F];t[v]=true}T=g9.ei(U.j,Q);for(w=T,C=0,G=w.length;C<G;++C){v=w[C];if(!a.g[v]){a.g[v]=true;++a.c}}}}for(m=0;m<a.k.e;m++){!a.g[m]&&(U.b[m]&U9)!=0&&f9.Ok(a.k,f9.ck(a.k,0,m))&&f9.Ok(a.k,f9.ck(a.k,1,m))&&f9.Os(a,m)}for(n=0;n<a.k.e;n++){if(!a.g[n]){f=f9.ck(a.k,0,n);g=f9.ck(a.k,1,n);if(!t[f]&&!t[g]&&f9.Ok(a.k,f)&&f9.Ok(a.k,g)){a.g[n]=true;++a.c}}}f9.yt(a.k,7);(a.q==2||a.q==1&&a.p)&&f9._s(a);r=NM(a9.zS,uab,5,a.k.e,16,1);a.k.e>=0&&b9.VW(a.g,0,r,0,a.k.e);for(R=0;R<U.i.a.length;R++){if(s[R]){S=g9.ei(U.i,R);for(K=S,L=0,M=K.length;L<M;++L){J=K[L];if(!f9.at(a,J)){if(f9.Ok(a.k,J)){f9.vl(a.k,J,false);--a.b}for(v=0;v<f9._m(a.k,J);v++){p=f9.an(a.k,J,v);if(a.g[p]){a.g[p]=false;--a.c}}}}}}f9.$s(a);for(P=0;P<U.i.a.length;P++){if(s[P]&&g9.ei(U.j,P).length==6){T=g9.ei(U.j,P);u=true;for(i=T,j=0,k=i.length;j<k;++j){h=i[j];if(!a.g[h]){u=false;break}}if(u){f9.Zs(a,T[0]);f9.Zs(a,T[2]);f9.Zs(a,T[4]);f9.$s(a)}}}for(O=5;O>=4;O--){do{N=false;for(h=0;h<a.k.e;h++){if(a.g[h]){d=0;for(q=0;q<2;q++){o=f9.ck(a.k,q,h);for(v=0;v<f9._m(a.k,o);v++)a.g[f9.an(a.k,o,v)]&&++d}if(d==O){f9.Zs(a,h);f9.$s(a);N=true;break}}}}while(N)}while(a.b>=2)if(!f9.Rs(a,r))break;if(b){if(a.b!=0){for(e=0;e<a.k.d;e++){if(f9.Ok(a.k,e)){f9.vl(a.k,e,false);f9.yl(a.k,e,2,true);--a.b;c=true}}}if(a.c!=0){for(h=0;h<a.k.e;h++){if(a.g[h]){a.g[h]=false;f9.Pl(a.k,h,8);--a.c;c=true}}}}else{for(e=0;e<a.k.d;e++){if(f9.Ok(a.k,e)&&f9.pn(a.k,e)!=0){f9.vl(a.k,e,false);f9.zl(a.k,e,32);--a.b}}}if(a.q==0||a.q==1&&!c){if(a.b!=0)throw ES(new b9.MK(xcb));if(a.c!=0)throw ES(new b9.MK(xcb))}};f9.Vs=function Vs(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib;a.k=b;f9.wt(a.k);a.s=new g9.o3;a.a=new g9.t1;!!a.r&&b9.bU(a.r,0);a.b=0;a.p=false;j=a.q!=0;T=null;o=NM(a9.fO,aab,5,32,15,1);o[0]=-1;Y=NM(a9.fO,aab,5,16,15,1);ab=NM(a9.fO,aab,5,16,15,1);$=NM(a9.fO,aab,5,16,15,1);Z=NM(a9.fO,aab,5,16,15,1);for(J=0;J<16;J++)Y[J]=-1;m=0;C=-1;bb=false;L=false;G=false;t=0;r=1;q=0;while(c[d]<=32)++d;while(d<e){cb=c[d++]&U9;if(b9.AU(cb)||cb==42||cb==63||cb==33&&j&&bb||cb==35&&j&&bb||cb==36&&j&&bb){n=new f9.Cs(a,a.j|a.q);if(bb){if((a.j&128)!=0){w=new f9.ht(d-1);d=f9.xs(n,c,d,e,true,true);if(c[d-1]!=93){while(c[d-1]!=93){d=f9.xs(n,c,d+1,e,true,true);++w.a}a.f.add(w)}}else{d=f9.xs(n,c,d,e,j,false)}}else{d=f9.zs(n,c,d,e,j)}bb=false;if(!n.q?null:g9.ei(n.q,0)){C=o[t];o[t]=b.o;f9.ej(b,!n.q?null:g9.ei(n.q,0));if(C!=-1&&r!=512){p=f9.dj(a.k,C,C,r);if(q!=0){a.p=true;f9.Ol(a.k,p,q,true);f9._i(a.k,p)}}r=1;q=0;continue}if(n.d==-1&&cb!=63)throw ES(new b9.MK('SmilesParser: unknown element label found. 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if(!a.i&&(a.p||a.q==2)){B=f9.dn(a.k,k);B>=1&&f9.yl(a.k,k,128,true);B>=2&&f9.yl(a.k,k,256,true);B>=3&&f9.yl(a.k,k,512,true);B>=4&&f9.yl(a.k,k,Hab,true)}}!a.i&&(a.p||a.q==2)&&f9.po(a.k,true);f9.yt(a.k,1);f9.Ss(a);f9.Us(a,j,a.p);a.k.r=null;f9.Tl(a.k,false);if(g){f9.Ps(a);if(T){for(S=(Q=(new g9.u_(T)).a._b().sb(),new g9.B_(Q));S.a.bc();){R=(v=S.a.cc(),v.fc());f9.xl(a.k,D[R.a],f9.kt(R,D),false)}f9.uo(a.k,0)}}f9.uo(a.k,0);if(f){K=new i9.uv(a.d);_S(a.n,0)&&i9.qv(K,a.n);i9.bv(K,a.k);g&&f9.Lt(a.k)}if(a.p||a.q==2){f9.Rl(a.k,true);f9.Bo(a.k);f9.Co(a.k)}};f9.Ws=function Ws(a,b,c,d,e){f9.Vs(a,b,c,0,c.length,d,e)};f9.Xs=function Xs(a,b){var c;return b==null?null:f9.Ys(a,e9.y8((c=b,y9.BZ(),c)))};f9.Ys=function Ys(a,b){var c,d,e,f,g,h,i,j,k,l,m;g=o9.ZJ(b,0);while(g>0&&b[g-1]==45)g=o9.ZJ(b,g+1);h=g==-1?-1:o9.ZJ(b,g+1);while(h>0&&b[h-1]==45)h=o9.ZJ(b,h+1);if(h==-1)throw ES(new b9.MK("Missing one or both separators ('>')."));if(o9.ZJ(b,h+1)!=-1)throw ES(new b9.MK("Found more than 2 separators 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88
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d,e,f,g;j9.pw(this);e=new k9.ix(b);try{g=new w9.YT;b9.EW(g.a,'$RXN\n');b9.EW(g.a,c!=null?c:'');b9.EW(g.a,'\n\n');w9.XT(g,Hcb+k9.rx(b,27));b9.EW(g.a,F9);w9.XT(g,' '+e.g.a.length+' '+e.f.a.length+F9);f=j9.qw(e);for(d=0;d<e.g.a.length+e.f.a.length;d++){b9.EW(g.a,'$MOL\n');f9.Rp(new f9.Up(d<e.g.a.length?g9.ei(e.g,d):g9.ei(e.f,d-e.g.a.length),f,null),g)}this.a=g.a}catch(a){a=DS(a);if(TN(a,13)){b9.UW();String.fromCharCode(10)}else throw ES(a)}};uT(164,1,{},j9.rw);_.a=null;a9.qP=NU(164);j9.sw=function sw(a){var b,c;b=new k9.hx;c=new w9.ST(new w9.WT(a));j9.tw(b,c);return b};j9.tw=function tw(a,b){var c,d;d=w9.RT(b);c=false;if(d==null||!b9.jW(e9.X8(d).substr(0,4),'$RXN')){throw ES(new b9.MK("'$RXN' tag not found"))}b9.jW(d,'$RXN V3000')?(c=j9.vw(a,b,false)):(c=j9.uw(a,b,false));return c};
|
|
89
|
-
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ES(a)}};uT(165,1,{},j9.yw);_.a=null;a9.rP=NU(165);j9.Aw=function Aw(){j9.Aw=wT;j9.zw=VM(HM(a9.DQ,1),S9,2,6,['Idorsia No','Actelion No','ID','IDNUMBER','COMPOUND_ID','NAME','COMPND'])};j9.Bw=function Bw(b){var c,d,e,f,g,h,i,j,k;if(!b.i)return false;b9.bU(b.g,0);b9.bU(b.b,0);b.f=null;k=false;d=-1;e=null;b.c=b.d==null?null:NM(a9.DQ,S9,2,b.d.length,6,1);b.e=-1;do{try{j=w9.RT(b.i);if(j==null){b9.bU(b.g,0);return false}}catch(a){a=DS(a);if(TN(a,88)){b9.bU(b.g,0);return false}else throw ES(a)}if(k){b9.MW(b.b,j);b9.IW(b.b,10)}else{if(b9.jW(e9.X8(j).substr(0,1),'>')){k=true;b9.MW(b.g,dcb);b9.IW(b.g,10);b9.MW(b.b,j);b9.IW(b.b,10)}else{b9.MW(b.g,j);b9.IW(b.g,10);b9.jW(e9.X8(j).substr(0,6),dcb)&&(k=true);continue}}if(b.d!=null){if(e9.X8(j).length==0){d=-1}else 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|
|
90
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-
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f9.nn(this.a,a,b)};_.getImplicitHydrogens=function OE(a){return f9.pn(this.a,a)};_.getIndex=function PE(){return f9.Qr(n9.VJ(n9.gC),this.a)};_.getLowestFreeValence=function QE(a){return f9.qn(this.a,a)};_.getMaxAtoms=function RE(){return this.a.K};_.getMaxBonds=function SE(){return this.a.L};_.getMaxValence=function TE(a){return f9.tk(this.a,a)};_.getMaxValenceUncharged=function UE(a){return f9.uk(this.a,a)};_.getMetalBondedConnAtoms=function VE(a){return f9.sn(this.a,a)};_.getMolecularFormula=function WE(){return new n9.CJ(this.a)};_.getMoleculeColor=function XE(){return this.a.M};_.getMolweight=function YE(){return f9.tn(this.a)};_.getName=function ZE(){return this.a.N};_.getNonHydrogenNeighbourCount=function $E(a){return f9.un(this.a,a)};_.getNumberOfHydrogens=function _E(){return h9.Fu(this.a)};_.getOCL=function aF(){return $wnd.OCL};_.getOccupiedValence=function bF(a){return f9.vn(this.a,a)};_.getPath=function cF(a,b,c,d,e){return 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EH(a,b){f9.fm(this.a,a,b)};n9.Jx=32;n9.Kx=2;n9.Lx=4;n9.Mx=6;n9.Nx=64;n9.Ox=128;n9.Px=1;n9.Qx=256;n9.Rx=8;n9.Sx=Hab;n9.Tx=16;n9.Ux=dbb;n9.Vx=512;n9.Wx=Ncb;n9.Xx=24;n9.Yx=Ncb;n9.$x=Bcb;n9._x=zcb;n9.ay=Acb;n9.by=0;n9.cy=3;n9.dy=1;n9.ey=2;n9.fy=64;n9.gy=384;n9.hy=448;n9.iy=192;n9.jy=256;n9.ky=0;n9.ly=320;n9.my=128;n9.oy=1;n9.py=2;n9.qy=4;n9.ry=0;n9.sy=3;n9.ty=1;n9.uy=xbb;n9.vy=2;n9.wy=1;n9.xy=2;n9.yy=Iab;n9.zy=3;n9.Ay=25;n9.By=5;n9.Cy=39;n9.Dy=Sab;n9.Ey=vab;n9.Fy=bbb;n9.Gy=Fab;n9.Hy=Gab;n9.Iy=4;n9.Jy=7;n9.Ky=Eab;n9.Ly=Dab;n9.My=cbb;n9.Ny=Cab;n9.Oy=ocb;n9.Py=5;n9.Qy=17;n9.Ry=Nab;n9.Sy=eab;n9.Ty=7;n9.Uy=32;n9.Vy=dbb;n9.Wy=46;n9.Xy=Yab;n9.Yy=128;n9.Zy=wbb;n9.$y=Bab;n9._y=tcb;n9.az=256;n9.bz=mbb;n9.cz=Nbb;n9.dz=ucb;n9.ez=512;n9.fz=lbb;n9.gz=T9;n9.hz=16;n9.iz=vcb;n9.jz=Hab;n9.kz=ybb;n9.lz=32;n9.mz=Xab;n9.nz=Oab;n9.oz=64;n9.pz=4;n9.qz=8;n9.rz=Mbb;n9.sz=Lbb;n9.tz=134217728;n9.uz=3;n9.vz=14;n9.wz=Mab;n9.xz=fab;n9.yz=gab;n9.zz=hab;n9.Az=iab;n9.Bz=jab;n9.Cz=kab;n9.Dz=lab;n9.Ez=120;n9.Fz=4;n9.Gz=3;n9.Hz=2;n9.Iz=zbb;n9.Jz=2147483648;n9.Kz=zbb;n9.Lz=Wbb;n9.Mz=30;n9.Nz=ncb;n9.Oz=abb;n9.Pz=3;n9.Qz=22;n9.Rz=Abb;n9.Sz=2;n9.Tz=44;n9.Uz=48;n9.Vz=32;n9.Wz=0;n9.Xz=16;n9.Yz=4;n9.Zz=48;n9._z=1;n9.aA=0;n9.bA=3;n9.cA=2;n9.dA=1;n9.eA=0;n9.fA=3;n9.gA=2;n9.hA=bab;n9.iA=hbb;n9.jA=2;n9.kA=21;n9.lA=Oab;n9.mA=31;n9.nA=5;n9.oA=0;n9.pA=gbb;n9.qA=8;n9.rA=7680;n9.sA=4;n9.tA=9;n9.uA=9;n9.vA=122880;n9.wA=4;n9.xA=13;n9.yA=8;n9.zA=2;n9.AA=Bbb;n9.BA=ybb;n9.CA=16;n9.DA=6291840;n9.EA=23;n9.FA=mcb;n9.GA=128;n9.HA=32;n9.IA=64;n9.JA=96;n9.KA=2;n9.LA=5;n9.MA=256;n9.NA=Qab;n9.OA=3;n9.PA=17;n9.QA=384;n9.RA=2;n9.SA=7;n9.TA=6291967;n9.UA=1;n9.VA=4;n9.WA=386;n9.XA=512;n9.YA=8;n9.ZA=2;n9.$A=129;n9._A=511;n9.aB=127;n9.bB=384;n9.cB=16;n9.dB=32;n9.eB=64;n9.fB=1;n9.gB=4;n9.hB=257;n9.iB=458752;n9.jB=Pab;n9.kB=U9;n9.lB=mbb;n9.mB=wbb;n9.nB=T9;n9.oB=196608;n9.pB=0;n9.qB=327680;n9.sB=24;n9.tB=321;n9.uB=6;n9.vB=5;n9.wB=32;n9.xB=0;n9.yB=1;n9.zB=2;n9.AB=255;n9.BB=16;n9.CB=128;n9.DB=1;n9.EB=8;n9.FB=4;n9.GB=2;n9.HB=32;n9.IB=64;n9.JB=248;n9.KB=31;n9.LB=1;n9.MB=0;n9.NB=15;n9.OB=7;n9.PB=3;n9.QB=63;n9.RB=95;n9.SB=190;n9.TB=16;n9.UB=0;n9.VB=1;n9.WB=16;n9.XB=256;n9.YB=128;n9.ZB=8;n9.$B=32;n9._B=4;n9.aC=511;n9.bC=64;n9.cC=1;n9.dC=2;a9.yP=NU(33);n9.FH=function 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sJ(h,a){a=a||{};var b=a.smartsMode||'smiles';var c=a.skipCoordinateTemplates||false;var d=a.makeHydrogenExplicit||false;var e=a.noCactvs||false;var f=a.singleDotSeparator||false;var g=a.createSmartsWarnings||false;h.Ib(b,c,d,e,f,g)};n9.tJ=function tJ(a){n9.sJ(this,a)};uT(245,1,{},n9.tJ);_.getSmartsWarning=function uJ(){return f9.Ts(this.a)};_.Ib=function vJ(a,b,c,d,e,f){var g;g=0;switch(a){case 'smarts':g=2;break;case 'guess':g=1;}c&&(g|=8);b&&(g|=4);d&&(g|=16);e&&(g|=32);f&&(g|=64);this.a=new f9.ft(g)};_.Jb=function wJ(a,b,c,d){var e;f9.Ws(this.a,a.a,e9.y8((e=b,e9.t8(),e)),c,d);return a};_.parseMolecule=function xJ(a,b){b=b||{};var c=b.molecule||new n9.jC;var d=!b.noCoordinates;var e=!b.noStereo;return this.Jb(c,a,d,e)};_.parseReaction=function yJ(a){return new n9.FH(f9.Xs(this.a,a))};_.setRandomSeed=function zJ(a){f9.ct(this.a,a9.OS(a))};a9.EP=NU(245);n9.AJ=function AJ(){};n9.BJ=function BJ(a,b){b=b||{};var c=(typeof b.maxSphereSize===Mcb?5:b.maxSphereSize)|0;var d=(typeof b.type===Mcb?0:b.type)|0;return h9.qu(a,c,d)};uT(246,1,{},n9.AJ);a9.FP=NU(246);n9.CJ=function CJ(a){f9.Jp();f9.Np.call(this,a)};uT(162,92,{92:1},n9.CJ);vT(_,{absoluteWeight:{'get':function DJ(){return f9.Kp(this)}}});vT(_,{formula:{'get':function EJ(){return f9.Lp(this)}}});vT(_,{relativeWeight:{'get':function FJ(){return f9.Mp(this)}}});a9.GP=NU(162);n9.GJ=function GJ(a,b){var c,d;d={};c=a.w[b];n9.RJ(d,'aromatic',TS(GS(c,2),0));n9.RJ(d,'notAromatic',TS(GS(c,4),0));n9.RJ(d,'notChain',TS(GS(c,8),0));n9.RJ(d,'not2RingBonds',TS(GS(c,16),0));n9.RJ(d,'not3RingBonds',TS(GS(c,32),0));n9.RJ(d,'not4RingBonds',TS(GS(c,64),0));n9.RJ(d,'noMoreNeighbours',TS(GS(c,dbb),0));n9.RJ(d,'moreNeighbours',TS(GS(c,Cab),0));n9.RJ(d,'matchStereo',TS(GS(c,cbb),0));n9.RJ(d,'not0PiElectrons',TS(GS(c,Bab),0));n9.RJ(d,'not1PiElectron',TS(GS(c,Nbb),0));n9.RJ(d,'not2PiElectrons',TS(GS(c,T9),0));n9.RJ(d,'not0Hydrogen',TS(GS(c,128),0));n9.RJ(d,'not1Hydrogen',TS(GS(c,256),0));n9.RJ(d,'not2Hydrogen',TS(GS(c,512),0));n9.RJ(d,'not3Hydrogen',TS(GS(c,Hab),0));n9.RJ(d,'not0Neighbours',TS(GS(c,wbb),0));n9.RJ(d,'not1Neighbour',TS(GS(c,mbb),0));n9.RJ(d,'not2Neighbours',TS(GS(c,lbb),0));n9.RJ(d,'not3Neighbours',TS(GS(c,ybb),0));n9.RJ(d,'not4Neighbours',TS(GS(c,Oab),0));n9.RJ(d,'notChargeNeg',TS(GS(c,Lbb),0));n9.RJ(d,'notCharge0',TS(GS(c,Mbb),0));n9.RJ(d,'noChargePos',TS(GS(c,134217728),0));n9.RJ(d,'ringSize0',TS(GS(c,fab),0));n9.RJ(d,'ringSize3',TS(GS(c,gab),0));n9.RJ(d,'ringSize4',TS(GS(c,hab),0));n9.RJ(d,'ringSize5',TS(GS(c,iab),0));n9.RJ(d,'ringSize6',TS(GS(c,jab),0));n9.RJ(d,'ringSize7',TS(GS(c,kab),0));n9.RJ(d,'ringSizeLarge',TS(GS(c,lab),0));return 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91
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92
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|
|
93
|
-
function
|
|
94
|
-
|
|
95
|
-
|
|
96
|
-
function
|
|
97
|
-
function
|
|
98
|
-
function
|
|
99
|
-
function
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100
|
-
function
|
|
101
|
-
|
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102
|
-
function
|
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103
|
-
function
|
|
104
|
-
function
|
|
105
|
-
function
|
|
106
|
-
function
|
|
107
|
-
function
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|
108
|
-
function
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|
109
|
-
function
|
|
110
|
-
function
|
|
111
|
-
function
|
|
112
|
-
function
|
|
113
|
-
|
|
114
|
-
function
|
|
115
|
-
function
|
|
116
|
-
function
|
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117
|
-
function
|
|
118
|
-
|
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119
|
-
function
|
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120
|
-
function
|
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121
|
-
function
|
|
122
|
-
function
|
|
123
|
-
|
|
124
|
-
function
|
|
125
|
-
function
|
|
126
|
-
|
|
127
|
-
|
|
128
|
-
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129
|
-
function
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130
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-
function
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131
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-
function
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132
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-
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133
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-
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|
|
75
|
+
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76
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|
|
80
|
+
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f,g,h,i,j,k,l,m;i9.Bt(a,d?7:1);b.t=null;a.I&&i9.Ul(b,true);i=c.length;e==null&&(e=QM(d9.iO,dab,5,i,15,1));b.o=0;for(f=0;f<i;f++){if(c[f]){e[f]=i9.vj(a,b,f,0,0);if(a.A[f]==1){m=i9.yn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.f[f][l]]){i9.nl(b,e[f],m);break}}}}}else{e[f]=-1}}k=QM(d9.iO,dab,5,a.p,15,1);j9.Q0(k,k.length,-1);b.p=0;for(j=0;j<a.p;j++){g=a.B[0][j];h=a.B[1][j];if(g<i&&h<i){if(c[g]&&c[h])k[j]=i9.wj(a,b,j,0,0,e==null?a.B[0][j]:e[a.B[0][j]],e==null?a.B[1][j]:e[a.B[1][j]],d);else if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){c[g]&&(b.q[e[g]]+=a.q[g]<0?1:-1);c[h]&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}i9.zj(a,b);!!a.b&&(b.R=0);b.R=0;i9.jl(b,1);i9.jl(b,2);b.o!=i&&i9.Ul(b,true);i9.uo(a,b,i,e,k);i9.to(a,b,i,e);d&&i9.ee(new i9.re(b),null,false)};i9.Hm=function Hm(a,b,c,d,e){var f,g,h,i,j,k,l,m;i9.Bt(a,d?7:1);b.t=null;a.I&&i9.Ul(b,true);e==null&&(e=QM(d9.iO,dab,5,a.o,15,1));b.o=0;for(f=0;f<a.o;f++){e[f]=-1;for(k=0;k<a.g[f];k++){if(c[a.i[f][k]]){e[f]=i9.vj(a,b,f,0,0);if(a.A[f]==1){m=i9.yn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.i[f][l]]){i9.nl(b,e[f],m);break}}}}break}}}j=QM(d9.iO,dab,5,a.p,15,1);b.p=0;for(i=0;i<a.p;i++)if(c[i]){j[i]=i9.wj(a,b,i,0,0,e==null?a.B[0][i]:e[a.B[0][i]],e==null?a.B[1][i]:e[a.B[1][i]],d)}else{j[i]=-1;g=a.B[0][i];h=a.B[1][i];if(e[g]==-1^e[h]==-1){if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){e[g]!=-1&&(b.q[e[g]]+=a.q[g]<0?1:-1);e[h]!=-1&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}i9.zj(a,b);!!a.b&&(b.R=0);b.R=0;i9.jl(b,1);i9.jl(b,2);b.o!=a.o&&i9.Ul(b,true);i9.uo(a,b,a.o,e,j);i9.to(a,b,a.o,e);d&&i9.ee(new i9.re(b),null,false);return e};i9.Im=function Im(a,b){var c,d,e,f,g,h,i,j,k,l;if((b&~a.R)==0)return;if((a.R&1)==0){i9.Pn(a);i9.Cm(a);a.R|=1;if(a.I&&!i9.Dk(a)&&i9.Em(a)){i9.Pn(a);i9.Cm(a);a.R|=1}}if((b&~a.R)==0)return;if((a.R&-7)!=0){for(d=0;d<a.d;d++)a.s[d]&=-15369;for(f=0;f<a.e;f++)a.C[f]&=-705;if((b&4)==0){i9.Nm(a,1);a.R|=2;return}i9.Nm(a,7);for(e=0;e<a.d;e++){for(k=0;k<a.g[e];k++){i=a.i[e][k];if(i<a.e&&i9.Wq(a.n,i))continue;h=a.f[e][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]==i)continue;a.j[h][l]>1&&(a.A[a.f[h][l]]==6?(a.s[e]|=Fab):!i9.Wn(a,a.i[h][l])&&i9.Pk(a,a.f[h][l])&&(a.s[e]|=fbb))}}}while(true){j=false;for(c=0;c<a.d;c++){if(a.k[c]>0&&(a.s[c]&fbb)!=0&&!i9.Vq(a.n,c)){for(k=0;k<a.g[c];k++){if(a.j[c][k]>1){h=a.f[c][k];i=a.i[c][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]!=i){g=a.f[h][l];if((a.s[g]&fbb)==0){a.s[g]|=fbb;j=true}}}}}}}if(!j)break}}a.R|=6};i9.Jm=function Jm(a,b){var c,d,e,f,g;c=-1;if(a.k[b]==1){for(f=0;f<a.g[b];f++){if(a.j[b][f]==2){d=a.f[b][f];if(a.g[d]==2&&a.k[d]==2){for(g=0;g<2;g++){e=a.f[d][g];if(e!=b&&a.k[e]==1){c=d;break}}}break}}}return c};i9.Km=function Km(a,b,c){var d,e;d=b;while(a.g[c]==2&&a.k[c]==2&&c!=d){e=c;c=a.f[c][0]==b?a.f[c][1]:a.f[c][0];b=e}return c==d?-1:c};i9.Lm=function Lm(a,b){var c;if(a.g[b]==3&&b<a.d&&i9.Vq(a.n,b)&&(!!a.n&&b<a.d?i9.Kq(a.n,b):0)>=5)for(c=0;c<a.g[b];c++)if(i9.Xn(a,a.i[b][c]))return a.i[b][c];return -1};i9.Mm=function Mm(a,b,c,d,e){var f,g,h,i,j,k;i9.Bt(a,7);if((a.s[b]&Wbb)==0||c&&!(b<a.d&&i9.Vq(a.n,b)))return;i=QM(d9.iO,dab,5,a.d,15,1);i[0]=b;d[b]=true;h=0;j=0;while(h<=j){for(k=0;k<a.g[i[h]];k++){g=a.i[i[h]][k];if(!e[g]&&(a.C[g]&64)!=0&&(!c||g<a.e&&i9.Wq(a.n,g))){e[g]=true;f=a.f[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};i9.Nm=function Nm(a,b){var c,d,e,f,g,h,i,j;a.n=new 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81
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+
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b,c,d,e;i9.Bt(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++)i9.yo(a,b);for(e=0;e<a.e;e++)i9.zo(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};i9.Bo=function Bo(b,c){var d,e,f,g,h,i,j,k,l,m;i=QM(d9.iO,dab,5,b.o,15,1);h=i9.mn(b,i,false,c);if(h<=1)return null;j=QM(d9.iO,dab,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]==16||i[b.B[0][g]]!=l)&&(b.F[g]=512);f=i9.uj(b);b.R=0;try{i9.Dm(b,true,true)}catch(a){a=GS(a);if(!WN(a,13))throw HS(a)}return f};i9.Co=function Co(a,b){if((a.s[b]&Kbb)!=0)return true;if(a.A[b]<=1)return false;return i9.Uk(a,b)||a.A[b]==13||a.A[b]>=171};i9.Do=function Do(a){var b,c,d,e,f,g,h,i,j,k;f=i9.ck(a,a.o,a.p,i9.aj);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 HS(new e9.PK('The distance between two atoms is too close.'))}}i9.Bt(a,1);b=0;for(c=0;c<a.d;c++){if(i9.yn(a,c)>(h=i9.xk(a,c),h+i9.vk(a,c,h,a.A[c])))throw HS(new e9.PK('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw HS(new e9.PK('unbalanced atom charge'))};i9.Eo=function Eo(a){var b,c;if(!a.I)return;i9.Bt(a,7);for(b=0;b<a.d;b++){if((a.s[b]&Wbb)!=0){TS(JS(a.w[b],120),8)&&(a.w[b]=JS(a.w[b],-9));a.w[b]=JS(a.w[b],-4294967297)}b<a.d&&i9.Vq(a.n,b)?(a.w[b]=JS(a.w[b],{l:4194297,m:Vbb,h:1048571})):cT(JS(a.w[b],2),0)&&(a.w[b]=JS(a.w[b],-5));(cT(JS(a.w[b],dbb),0)||cT(JS(a.w[b],hab),0)&&TS(JS(a.w[b],iab),0))&&TS(JS(a.w[b],120),8)&&(a.w[b]=JS(a.w[b],-9));a.q[b]!=0&&(a.w[b]=JS(a.w[b],-234881025));if(i9.yn(a,b)==(c=i9.xk(a,b),c+i9.vk(a,b,c,a.A[b]))){a.w[b]=JS(a.w[b],-4063233);a.w[b]=JS(a.w[b],-17042430230529);a.w[b]=JS(a.w[b],-1921);a.w[b]=JS(a.w[b],-114689)}cT(JS(a.w[b],yab),0)&&a.u[b]!=0&&i9.hl(a,a.u[b])}};i9.Fo=function Fo(a){var b,c,d;if(!a.I)return;i9.Bt(a,7);for(b=0;b<a.e;b++){d=LV(a.D[b]&127);if((b<a.e&&(i9.$q(a.n,b)||a.F[b]==8))&(a.D[b]&8)!=0){a.D[b]&=-9;--d}if(d!=0){c=a.F[b]&127;c==1?(a.D[b]|=1):c==2?(a.D[b]|=2):c==4?(a.D[b]|=4):c==32?(a.D[b]|=32):c==64?(a.D[b]|=64):c==16?(a.D[b]|=16):c==8&&(a.D[b]|=8)}}};i9.Go=function Go(a,b,c){var d;d=i9.gm(a,b,c);if(d&&c==386){i9.Bt(a,7);d=d&(a.C[b]&128)==0}return d};i9.Ho=function Ho(){i9.jm.call(this)};i9.Io=function Io(a,b){i9.km.call(this,a,b)};i9.Jo=function Jo(a){i9.km.call(this,!a?256:a.K,!a?256:a.L);!!a&&i9.yj(a,this)};xT(79,70,{79:1,70:1,4:1});_.zb=function Ko(a){i9.Im(this,a)};_.yb=function Lo(a){return i9.$n(this,a)};_.d=0;_.e=0;d9.FO=QU(79);i9.Mo=function Mo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};i9.No=function No(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|=(W9&a.f)>>16-c+b;a.f<<=1;--b;--a.d}return d};i9.Oo=function Oo(a,b,c){a.d=6;a.e=c;a.c=b;a.f=(b[a.e]&63)<<11};i9.Po=function Po(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32;c=f*a/(d-a);return e?-c:c};i9.Qo=function Qo(a){var b,c,d,e;if(a.g.I){for(b=0;b<a.g.p;b++){d=i9.pk(a.g,b);if((d&31)==0)continue;c=-1;e=0;if((d&16)!=0){c=16;++e}if((d&64)!=0){c=64;++e}if((d&32)!=0){c=32;++e}if((d&4)!=0){c=4;++e}if((d&2)!=0){c=2;++e}if((d&8)!=0){c=8;++e}if((d&1)!=0){c=1;++e}if(c!=-1){i9.Sl(a.g,b,c);e==1&&i9.Rl(a.g,b,31,false)}}}};i9.Ro=function Ro(a,b){var c;return b==null||h9.$8(b).length==0?null:i9.To(a,h9.B8((c=b,B9.EZ(),c)))};i9.So=function So(a,b,c){var d,e;return b==null?null:i9.Uo(a,h9.B8((e=b,B9.EZ(),e)),c==null?null:h9.B8((d=c,d)),0)};i9.To=function To(a,b){var c;if(b==null||b.length==0)return null;for(c=2;c<b.length-2;c++)if(b[c]==32)return i9.Uo(a,b,b,c+1);return i9.Uo(a,b,null,0)};i9.Uo=function Uo(a,b,c,d){var e,f,g,h,i;if(b==null)return null;i9.Oo(a,b,0);e=i9.No(a,4);h=i9.No(a,4);e>8&&(e=h);f=i9.No(a,e);g=i9.No(a,h);i=new i9.Tt(f,g);i9.Vo(a,i,b,c,d);return i};i9.Vo=function Vo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,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,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac,Bc,Cc,Dc,Ec,Fc;i9.tj(c);c.b=null;if(d==null||0>=d.length)return;b.g=c;zc=8;e!=null&&(f<0||f>=e.length)&&(e=null);i9.Oo(b,d,0);i=i9.No(b,4);B=i9.No(b,4);if(i>8){zc=i;i=B}if(i==0){i9.Ul(b.g,i9.No(b,1)==1);return}j=i9.No(b,i);k=i9.No(b,B);mc=i9.No(b,i);qc=i9.No(b,i);pc=i9.No(b,i);O=i9.No(b,i);for(o=0;o<j;o++)i9.ej(b.g,6);for(nb=0;nb<mc;nb++)i9.Il(b.g,i9.No(b,i),7);for(ob=0;ob<qc;ob++)i9.Il(b.g,i9.No(b,i),8);for(zb=0;zb<pc;zb++)i9.Il(b.g,i9.No(b,i),i9.No(b,8));for(Kb=0;Kb<O;Kb++)i9.pl(b.g,i9.No(b,i),i9.No(b,4)-8);P=1+k-j;W=i9.No(b,4);A=0;i9.Fl(b.g,0,0);i9.Gl(b.g,0,0);i9.Hl(b.g,0,0);X=e!=null&&e[f]>=39;yc=0;Bc=0;Dc=0;Fc=0;S=false;T=false;if(X){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){T=true;S=e.length==3*j-3+9;dc=S?3*j-3:2*j-2;w=86*(e[dc+1]-40)+e[dc+2]-40;yc=$wnd.Math.pow(10,w/2000-1);dc+=2;Ac=86*(e[dc+1]-40)+e[dc+2]-40;Bc=$wnd.Math.pow(10,Ac/1500-1);dc+=2;Cc=86*(e[dc+1]-40)+e[dc+2]-40;Dc=$wnd.Math.pow(10,Cc/1500-1);if(S){dc+=2;Ec=86*(e[dc+1]-40)+e[dc+2]-40;Fc=$wnd.Math.pow(10,Ec/1500-1)}}else{S=e.length==3*j-3}}if(b.Ab()&&S){e=null;X=false}for(Vb=1;Vb<j;Vb++){$=i9.No(b,W);if($==0){if(X){i9.Fl(b.g,Vb,i9.Zj(b.g,0)+8*(e[Vb*2-2]-83));i9.Gl(b.g,Vb,i9.$j(b.g,0)+8*(e[Vb*2-1]-83));S&&i9.Hl(b.g,Vb,i9._j(b.g,0)+8*(e[2*j-3+Vb]-83))}++P;continue}A+=$-1;if(X){i9.Fl(b.g,Vb,i9.Zj(b.g,A)+e[Vb*2-2]-83);i9.Gl(b.g,Vb,i9.$j(b.g,A)+e[Vb*2-1]-83);S&&i9.Hl(b.g,Vb,i9._j(b.g,A)+(e[2*j-3+Vb]-83))}i9.gj(b.g,A,Vb,1)}for($b=0;$b<P;$b++)i9.gj(b.g,i9.No(b,i),i9.No(b,i),1);ec=QM(d9.CS,xab,5,k,16,1);for(I=0;I<k;I++){J=i9.No(b,2);switch(J){case 0:ec[I]=true;break;case 2:i9.Sl(b.g,I,2);break;case 3:i9.Sl(b.g,I,4);}}h=i9.No(b,i);for(_b=0;_b<h;_b++){n=i9.No(b,i);if(zc==8){rc=i9.No(b,2);if(rc==3){i9.ul(b.g,n,1,0);i9.Al(b.g,n,1,false)}else{i9.Al(b.g,n,rc,false)}}else{rc=i9.No(b,3);switch(rc){case 4:i9.Al(b.g,n,1,false);i9.ul(b.g,n,1,i9.No(b,3));break;case 5:i9.Al(b.g,n,2,false);i9.ul(b.g,n,1,i9.No(b,3));break;case 6:i9.Al(b.g,n,1,false);i9.ul(b.g,n,2,i9.No(b,3));break;case 7:i9.Al(b.g,n,2,false);i9.ul(b.g,n,2,i9.No(b,3));break;default:i9.Al(b.g,n,rc,false);}}}zc==8&&i9.No(b,1)==0&&(b.g.J=true);g=i9.No(b,B);for(ac=0;ac<g;ac++){D=i9.No(b,B);if(i9.qk(b.g,D)==1){rc=i9.No(b,3);switch(rc){case 4:i9.Pl(b.g,D,1,false);i9.Ml(b.g,D,1,i9.No(b,3));break;case 5:i9.Pl(b.g,D,2,false);i9.Ml(b.g,D,1,i9.No(b,3));break;case 6:i9.Pl(b.g,D,1,false);i9.Ml(b.g,D,2,i9.No(b,3));break;case 7:i9.Pl(b.g,D,2,false);i9.Ml(b.g,D,2,i9.No(b,3));break;default:i9.Pl(b.g,D,rc,false);}}else{i9.Pl(b.g,D,i9.No(b,2),false)}}i9.Ul(b.g,i9.No(b,1)==1);m=null;wc=null;oc=0;while(i9.No(b,1)==1){V=oc+i9.No(b,4);switch(V){case 0:nc=i9.No(b,i);for(bc=0;bc<nc;bc++){n=i9.No(b,i);i9.Bl(b.g,n,gbb,true)}break;case 1:nc=i9.No(b,i);for(cc=0;cc<nc;cc++){n=i9.No(b,i);kc=i9.No(b,8);i9.zl(b.g,n,kc)}break;case 2:nc=i9.No(b,B);for(pb=0;pb<nc;pb++){i9.No(b,B)}break;case 3:nc=i9.No(b,i);for(qb=0;qb<nc;qb++){n=i9.No(b,i);i9.Bl(b.g,n,Fab,true)}break;case 4:nc=i9.No(b,i);for(rb=0;rb<nc;rb++){n=i9.No(b,i);vc=fT(VS(i9.No(b,4)),3);i9.Bl(b.g,n,vc,true)}break;case 5:nc=i9.No(b,i);for(sb=0;sb<nc;sb++){n=i9.No(b,i);l=fT(VS(i9.No(b,2)),1);i9.Bl(b.g,n,l,true)}break;case 6:nc=i9.No(b,i);for(tb=0;tb<nc;tb++){n=i9.No(b,i);i9.Bl(b.g,n,1,true)}break;case 7:nc=i9.No(b,i);for(ub=0;ub<nc;ub++){n=i9.No(b,i);kb=fT(VS(i9.No(b,4)),7);i9.Bl(b.g,n,kb,true)}break;case 8:nc=i9.No(b,i);for(vb=0;vb<nc;vb++){n=i9.No(b,i);t=i9.No(b,4);r=QM(d9.iO,dab,5,t,15,1);for(fc=0;fc<t;fc++){s=i9.No(b,8);r[fc]=s}i9.vl(b.g,n,r)}break;case 9:nc=i9.No(b,B);for(wb=0;wb<nc;wb++){D=i9.No(b,B);vc=i9.No(b,2)<<7;i9.Rl(b.g,D,vc,true)}break;case 10:nc=i9.No(b,B);for(xb=0;xb<nc;xb++){D=i9.No(b,B);L=i9.No(b,5);i9.Rl(b.g,D,L,true)}break;case 11:nc=i9.No(b,i);for(yb=0;yb<nc;yb++){n=i9.No(b,i);i9.Bl(b.g,n,fbb,true)}break;case 12:nc=i9.No(b,B);for(Ab=0;Ab<nc;Ab++){D=i9.No(b,B);M=i9.No(b,8)<<9;i9.Rl(b.g,D,M,true)}break;case 13:nc=i9.No(b,i);for(Bb=0;Bb<nc;Bb++){n=i9.No(b,i);sc=fT(VS(i9.No(b,3)),14);i9.Bl(b.g,n,sc,true)}break;case 14:nc=i9.No(b,i);for(Cb=0;Cb<nc;Cb++){n=i9.No(b,i);lc=fT(VS(i9.No(b,5)),17);i9.Bl(b.g,n,lc,true)}break;case 15:case 31:oc+=16;break;case 16:nc=i9.No(b,i);for(Db=0;Db<nc;Db++){n=i9.No(b,i);uc=fT(VS(i9.No(b,3)),22);i9.Bl(b.g,n,uc,true)}break;case 17:nc=i9.No(b,i);for(Eb=0;Eb<nc;Eb++){n=i9.No(b,i);i9.nl(b.g,n,i9.No(b,4))}break;case 18:nc=i9.No(b,i);jc=i9.No(b,4);for(Fb=0;Fb<nc;Fb++){n=i9.No(b,i);U=i9.No(b,jc);gc=QM(d9.eO,ybb,5,U,15,1);for(fc=0;fc<U;fc++)gc[fc]=i9.No(b,7)<<24>>24;i9.sl(b.g,n,e9.lW((hc=gc,B9.EZ(),hc)))}break;case 19:nc=i9.No(b,i);for(Gb=0;Gb<nc;Gb++){n=i9.No(b,i);N=fT(VS(i9.No(b,3)),25);i9.Bl(b.g,n,N,true)}break;case 20:nc=i9.No(b,B);for(Hb=0;Hb<nc;Hb++){D=i9.No(b,B);uc=i9.No(b,3)<<17;i9.Rl(b.g,D,uc,true)}break;case 21:nc=i9.No(b,i);for(Ib=0;Ib<nc;Ib++){n=i9.No(b,i);i9.Cl(b.g,n,i9.No(b,2)<<4)}break;case 22:nc=i9.No(b,i);for(Jb=0;Jb<nc;Jb++){n=i9.No(b,i);i9.Bl(b.g,n,ebb,true)}break;case 23:nc=i9.No(b,B);for(Lb=0;Lb<nc;Lb++){D=i9.No(b,B);i9.Rl(b.g,D,Bbb,true)}break;case 24:nc=i9.No(b,B);for(Mb=0;Mb<nc;Mb++){D=i9.No(b,B);l=i9.No(b,2)<<21;i9.Rl(b.g,D,l,true)}break;case 25:for(Nb=0;Nb<j;Nb++)i9.No(b,1)==1&&i9.Dl(b.g,Nb,true);break;case 26:nc=i9.No(b,B);m=QM(d9.iO,dab,5,nc,15,1);for(Ob=0;Ob<nc;Ob++)m[Ob]=i9.No(b,B);break;case 27:nc=i9.No(b,i);for(Pb=0;Pb<nc;Pb++){n=i9.No(b,i);i9.Bl(b.g,n,yab,true)}break;case 28:nc=i9.No(b,B);for(Qb=0;Qb<nc;Qb++)i9.Sl(b.g,i9.No(b,B),16);break;case 29:nc=i9.No(b,i);for(Rb=0;Rb<nc;Rb++){n=i9.No(b,i);jb=fT(VS(i9.No(b,2)),30);i9.Bl(b.g,n,jb,true)}break;case 30:nc=i9.No(b,i);for(Sb=0;Sb<nc;Sb++){n=i9.No(b,i);uc=fT(VS(i9.No(b,7)),32);i9.Bl(b.g,n,uc,true)}break;case 32:nc=i9.No(b,i);for(Tb=0;Tb<nc;Tb++){n=i9.No(b,i);xc=fT(VS(i9.No(b,2)),44);i9.Bl(b.g,n,xc,true)}break;case 33:nc=i9.No(b,i);for(Ub=0;Ub<nc;Ub++){n=i9.No(b,i);eb=fT(VS(i9.No(b,5)),39);i9.Bl(b.g,n,eb,true)}break;case 34:nc=i9.No(b,i);for(Wb=0;Wb<nc;Wb++){n=i9.No(b,i);i9.Bl(b.g,n,Iab,true)}break;case 35:nc=i9.No(b,B);for(Xb=0;Xb<nc;Xb++){D=i9.No(b,B);i9.Rl(b.g,D,Ebb,true)}break;case 36:nc=i9.No(b,B);for(Yb=0;Yb<nc;Yb++){D=i9.No(b,B);K=i9.No(b,2)<<5;i9.Rl(b.g,D,K,true)}break;case 37:nc=i9.No(b,B);for(Zb=0;Zb<nc;Zb++){D=i9.No(b,B);K=i9.No(b,1)==0?32:64;i9.Sl(b.g,D,K)}break;case 38:nc=i9.No(b,i);Q=i9.No(b,3);wc=QM(d9.iO,dab,5,j,15,1);for(mb=0;mb<nc;mb++)wc[i9.No(b,i)]=i9.No(b,Q);}}i9.ee(new i9.re(b.g),ec,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];i9.Sl(b.g,D,i9.qk(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){i9.Oo(b,e,f+1);S=i9.No(b,1)==1;T=i9.No(b,1)==1;tc=2*i9.No(b,4);C=1<<tc;hb=0;D=0;for(p=1;p<j;p++){if(D<k&&i9.fk(b.g,1,D)==p){hb=i9.fk(b.g,0,D++);gb=1}else{hb=0;gb=8}Y=gb*(i9.No(b,tc)+1-(C>>1));Z=gb*(i9.No(b,tc)+1-(C>>1));i9.Fl(b.g,p,i9.Zj(b.g,hb)+Y);i9.Gl(b.g,p,i9.$j(b.g,hb)+Z);S&&i9.Hl(b.g,p,i9._j(b.g,hb)+gb*(i9.No(b,tc)+1-(C>>1)))}if(e[f]==35){lb=0;ib=QM(d9.iO,dab,5,j,15,1);for(q=0;q<j;q++)lb+=ib[q]=i9.sn(b.g,q);for(n=0;n<j;n++){for(mb=0;mb<ib[n];mb++){kb=i9.ej(b.g,1);i9.gj(b.g,n,kb,1);i9.Fl(b.g,kb,i9.Zj(b.g,n)+(i9.No(b,tc)+1-(C>>1)));i9.Gl(b.g,kb,i9.$j(b.g,n)+(i9.No(b,tc)+1-(C>>1)));S&&i9.Hl(b.g,kb,i9._j(b.g,n)+(i9.No(b,tc)+1-(C>>1)));wc!=null&&(wc[n]&1<<mb)!=0&&i9.Dl(b.g,kb,true)}}j+=lb;k+=lb}v=S?1.5:(i9.bj(),i9.bj(),i9.aj);u=i9.ck(b.g,j,k,v);if(T){yc=i9.Mo(i9.No(b,tc),C);Bc=yc*i9.Po(i9.No(b,tc),C);Dc=yc*i9.Po(i9.No(b,tc),C);S&&(Fc=yc*i9.Po(i9.No(b,tc),C));gb=yc/u;for(n=0;n<j;n++){i9.Fl(b.g,n,Bc+gb*i9.Zj(b.g,n));i9.Gl(b.g,n,Dc+gb*i9.$j(b.g,n));S&&i9.Hl(b.g,n,Fc+gb*i9._j(b.g,n))}}else{yc=1.5;gb=yc/u;for(n=0;n<j;n++){i9.Fl(b.g,n,gb*i9.Zj(b.g,n));i9.Gl(b.g,n,gb*i9.$j(b.g,n));S&&i9.Hl(b.g,n,gb*i9._j(b.g,n))}}}else{S&&!T&&yc==0&&(yc=1.5);if(yc!=0&&b.g.p!=0){u=0;for(D=0;D<b.g.p;D++){ab=i9.Zj(b.g,i9.fk(b.g,0,D))-i9.Zj(b.g,i9.fk(b.g,1,D));bb=i9.$j(b.g,i9.fk(b.g,0,D))-i9.$j(b.g,i9.fk(b.g,1,D));cb=S?i9._j(b.g,i9.fk(b.g,0,D))-i9._j(b.g,i9.fk(b.g,1,D)):0;u+=$wnd.Math.sqrt(ab*ab+bb*bb+cb*cb)}u/=b.g.p;fb=yc/u;for(n=0;n<b.g.o;n++){i9.Fl(b.g,n,i9.Zj(b.g,n)*fb+Bc);i9.Gl(b.g,n,i9.$j(b.g,n)*fb+Dc);S&&i9.Hl(b.g,n,i9._j(b.g,n)*fb+Fc)}}}}catch(a){a=GS(a);if(WN(a,13)){db=a;e9.xK(db,(e9.XW(),e9.WW),'');'Faulty id-coordinates:'+db+' '+e9.lW((ic=d,B9.EZ(),ic))+' '+e9.lW((hc=e,hc));String.fromCharCode(10);e=null;S=false}else throw HS(a)}}R=e!=null&&!S;i9.Qo(b);if(R||b.Ab()){i9.Bt(b.g,7);for(D=0;D<b.g.e;D++)i9.nk(b.g,D)==2&&!i9.lo(b.g,D)&&i9.ok(b.g,D)==0&&i9.Ql(b.g,D)}i9.xo(b.g,0);if(!R&&b.Ab()){try{b.Bb(b.g);R=true}catch(a){a=GS(a);if(WN(a,13)){db=a;e9.xK(db,(e9.XW(),e9.WW),'');'2D-coordinate creation failed:'+db+' '+e9.lW((hc=d,B9.EZ(),hc));String.fromCharCode(10)}else throw HS(a)}}if(R){i9.Ao(b.g);i9.Ot(b.g)}else S||i9.xo(b.g,0)};i9.Wo=function Wo(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;i9.Oo(a,b,0);h=i9.No(a,4);e=i9.No(a,1)==1;f=i9.No(a,1)==1;for(c=0;c<a.g.d;c++){g=i9.No(a,h);d=e;e&&f&&(d=i9.No(a,1)==1);i9.xl(a.g,c,g,d)}};i9.Xo=function Xo(){};xT(185,1,{},i9.Xo);_.Ab=function Yo(){return false};_.Bb=function Zo(a){throw HS(new e9.PK('Unexpected request to invent coordinates. Check source code logic!'))};_.d=0;_.e=0;_.f=0;_.i=false;d9.GO=QU(185);i9.$o=function $o(a){};i9._o=function _o(a){i9.$o(this);this.b=a};xT(58,185,{},i9._o);_.Ab=function ap(){return this.b};_.Bb=function bp(a){var b;b=new l9.xv(this.a);b.g=new j9.T4(78187493520);l9.ev(b,a)};_.a=2;_.b=false;d9.HO=QU(58);i9.cp=function cp(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=cT(JS(i9.Xj(a.k,e),1),0);f=i9.Sj(a.k,e);l=f!=null?i9.jp(a,e,f,d):j?'*':i9.Rj(a.k,e);!j&&f==null&&i9.Vn(a.k,e)&&(a.j&4)==0&&(i9.Um(a.k,e)!=0||i9.Jj(a.k,e)==-1&&i9.Yj(a.k,e)==0)&&(l=h9.$8(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&i9.gp(a,i9._m(a.k,b.a,b.g),b.g,c);g=i9.Lj(a.k,e);if(g==0&&(a.j&1)!=0){h=JS(i9.Xj(a.k,e),Lab);OS(h,Oab)==0?(g=-1):OS(h,Nab)==0&&(g=1)}k=i9.Vj(a.k,e);m=(a.j&2)!=0?i9.Uj(a.k,e):0;o=(a.j&1)!=0?i9.pp(a,e,d):null;r=!j&&!i9.wp(i9.ak(a.k,e))||f!=null||(i9.Wj(a.k,e)==1||i9.Wj(a.k,e)==2)&&(q=i9.Qj(a.k,e)-1,!(q!=-1&&a.i[q][i9.Pj(a.k,e)]<=1))&&(i9.ak(a.k,e)!=7||i9.Lj(a.k,e)>0)||i9.Vn(a.k,e)&&i9.Um(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||i9.Jj(a.k,e)!=-1||i9.Yj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(i9.Wj(a.k,e)==1||i9.Wj(a.k,e)==2)&&(p=i9.Qj(a.k,e)-1,!(p!=-1&&a.i[p][i9.Pj(a.k,e)]<=1))&&(i9.ak(a.k,e)!=7||i9.Lj(a.k,e)>0)&&e9.PW(c,i9.op(a,e,n));if((a.j&1)==0&&r){i=i9.En(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&e9.MW(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);i9.hp(a,b,c);b.e&&(c.a+=')',c)};i9.dp=function dp(a,b,c){var d,e,f,g,h;f=true;h=j9.hi(a.g,b).a;g=i9.sp(a,h);while(g!=-1){d=i9.bn(a.k,h,g);e=i9.dn(a.k,h,g);g=i9.sp(a,d);i9.fp(a,new i9.vs(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};i9.ep=function ep(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&Zbb)!=0^c?2:1}};i9.fp=function fp(a,b,c){j9.bi(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[i9._m(a.k,b.a,b.g)]=true)};i9.gp=function gp(a,b,c,d){var e,f,g,h,i;i=h9.$8(d.a).length;a.f[b]!=0&&e9.LW(d,a.f[b]==1?47:92);if(a.j==1){e=i9.pk(a.k,b)&127;if(e!=0){(e&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((e&2)!=0){h9.$8(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((e&4)!=0){h9.$8(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((e&32)!=0){h9.$8(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((e&64)!=0){h9.$8(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((e&8)!=0){h9.$8(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((e&16)!=0){h9.$8(d.a).length!=i&&(d.a+=',',d);e9.PW(d,i9.Sk(a.k,c)?'<-':'->')}}}if(i==h9.$8(d.a).length&&(!i9.Wn(a.k,b)||(a.j&4)!=0)){f=i9.qk(a.k,b)&127;f==1?i9.Vn(a.k,i9.fk(a.k,0,b))&&i9.Vn(a.k,i9.fk(a.k,1,b))&&(a.j&4)==0&&a.f[b]==0&&(d.a+='-',d):f==2?(d.a+='=',d):f==4?(d.a+='#',d):f==32?(d.a+='$',d):f==64?(d.a+='$',d):f==8?(d.a+=':',d):f==16&&e9.PW(d,i9.Sk(a.k,c)?'<-':'->')}if(a.j==1){g=i==h9.$8(d.a).length?'':';';h=i9.pk(a.k,b)&384;h==256?(d.a+=g+'@',d):h==128&&(d.a+=g+'!@',d)}};i9.hp=function hp(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<i9.cn(a.k,b.a);f++){if(b.c[e]==i9.bn(a.k,b.a,f)){d=i9.dn(a.k,b.a,f);b.d[e]||i9.gp(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);e9.MW(c,a.e[d])}}}}};i9.ip=function ip(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 j9.wi;for(r=new j9.C0(a.g);r.a<r.c.a.length;){q=j9.B0(r);if(q.g!=-1){t=i9._m(a.k,q.a,q.g);if(!i9.Xn(a.k,t)&&!i9.lo(a.k,t)&&(i9.ok(a.k,t)==1||i9.ok(a.k,t)==2)){K=j9.hi(a.g,a.q[q.g]);c=QM(d9.iO,dab,5,i9.cn(a.k,q.a)+i9.cn(a.k,K.a)-2,15,1);B=0;L=false;if(K.g!=-1){c[B++]=K.b}else{u=-1;N=-1;v=O9;for(D=0;D<i9.cn(a.k,K.a);D++){l=i9.bn(a.k,K.a,D);if(l!=q.a){if(u==-1){u=D;v=a.q[l]}else{if(v<a.q[l]){N=D}else{N=u;u=D}}}}if(N==-1){H=i9.bn(a.k,K.a,u);I=i9.dn(a.k,K.a,u);c[B++]=I|(i9.up(a,K.a,H)?Zbb:0)}else{m=i9.bn(a.k,K.a,u);o=i9.dn(a.k,K.a,u);n=i9.bn(a.k,K.a,N);p=i9.dn(a.k,K.a,N);c[B++]=o|(i9.up(a,K.a,m)?Zbb:0);c[B++]=p|(i9.up(a,K.a,n)?0:Zbb)}}if(i9.cn(a.k,K.a)==3&&K.g!=-1){for(D=0;D<i9.cn(a.k,K.a);D++){l=i9.bn(a.k,K.a,D);if(l!=K.g&&l!=q.a){d=i9.dn(a.k,K.a,D);c[B++]=d|(i9.up(a,K.a,l)?Zbb:0);l<K.g&&(L=!L);break}}}i9.ok(a.k,t)==2&&(L=!L);for(C=0;C<i9.cn(a.k,q.a);C++){i=i9.bn(a.k,q.a,C);if(i!=q.g){A=L;if(i9.cn(a.k,q.a)==3){for(G=0;G<i9.cn(a.k,q.a);G++){l=i9.bn(a.k,q.a,G);if(l!=q.g&&l!=i){l<i&&(A=!A);break}}}if(i9.Nk(a.k,t)){w=i9.Cf(a.d,t);if(!a.n[w]){a.n[w]=true;a.o[w]=A}a.o[w]&&(A=!A)}j=i9._m(a.k,q.a,i);c[B++]=j|(A^i9.up(a,q.a,i)?0:Zbb)}}h9.s8(M.a,c)}}}a.f=QM(d9.iO,dab,5,a.k.e,15,1);M.a.length!=0&&i9.ep(a,j9.oi(M,0),false);while(M.a.length!=0){O=M.a.length;for(C=M.a.length-1;C>=0;C--){c=(h9.O8(C,M.a.length),M.a[C]);J=0;F=false;k=false;for(f=c,g=0,h=f.length;g<h;++g){e=f[g];b=e&1073741823;if(a.f[b]!=0){s=(e&Zbb)!=0^a.f[b]==2;J==0?(F=s):F!=s&&(k=true);++J}}if(J!=0){c=j9.oi(M,C);k||i9.ep(a,c,F)}}O==M.a.length&&i9.ep(a,j9.oi(M,0),false)}};i9.jp=function jp(a,b,c,d){var e,f,g,h,i,j,k;k=h9.$8(d.a).length;0<k?(d.a=e9.yW(d.a,0,0)):0>k&&(d.a+=e9.DW(QM(d9.fO,xbb,5,-k,15,1)));i=i9.Vn(a.k,b)&&(a.j&4)==0;for(f=c,g=0,h=f.length;g<h;++g){e=f[g];h9.$8(d.a).length!=0&&(d.a+=',',d);j=(i9.bj(),i9.Xi)[e];e9.PW(d,i?h9.$8(j).toLowerCase():j)}return d.a};i9.kp=function kp(a){var b,c,d,e,f,g,h,i;if(!a.k||a.k.o==0)return '';i9.Bt(a.k,15);a.d=new i9.Wf(a.k,129);e=a.d.S;a.o=QM(d9.CS,xab,5,e+1,16,1);a.n=QM(d9.CS,xab,5,e+1,16,1);a.i=OM(d9.iO,[vbb,dab],[6,5],15,[2,32],2);for(b=0;b<a.k.d;b++){i=i9.Qj(a.k,b)-1;i!=-1&&++a.i[i][i9.Pj(a.k,b)]}i9.np(a);i9.lp(a);i9.ip(a);d=new e9.SW;c=new e9.SW;f=true;for(h=new j9.C0(a.g);h.a<h.c.a.length;){g=j9.B0(h);g.g==-1&&(f?(f=false):(d.a+='.',d));i9.cp(a,g,d,c)}return d.a};
|
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82
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|
85
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+
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Position:'+c));o=h==1?W9:h==2?Qbb:Eab;i||(o=JS(Pab,dT(o)));a.c=eT(a.c,o);continue}if(b[c]==36){if(!i)throw HS(new e9.PK('SmilesParser: non-negated recursive SMARTS relating to preceding atom are not supported yet. Position:'+c));!a.f&&(a.f=new j9.wi);c+=i9.Es(a,b,c,a.f);continue}if(e&&(b[c]==59||b[c]==38)){++c;continue}if(e&&b[c]==44&&i9.zs(b,c,r)){c+=r[0]+1;continue}if(e&&b[c]==44&&(a.k&128)!=0){c+=1;break}if(b[c]==44)throw HS(new e9.PK("SmilesParser: alternative atom definitions not supported. (Tip: enumerate SMARTS): '"+String.fromCharCode(b[c]&X9)+zcb+c));throw HS(new e9.PK("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(b[c]&X9)+zcb+c))}return c};i9.Bs=function Bs(a,b,c,d){var e,f;d.d=true;d.c=true;if(a[b]==35){++b;d.a=0;d.b=1;while(b<c&&BU(a[b]&X9)){d.a=10*d.a+a[b]-48;++d.b;++b}if(d.a==0||d.a>=(i9.bj(),i9.Xi).length)throw HS(new e9.PK('SmilesParser: Atomic number out of range. position:'+(b-1)));return true}if(a[b]>=65&&a[b]<=90){d.b=a[b+1]>=97&&a[b+1]<=122?2:1;d.a=(i9.bj(),i9.um(e9.DW(h9.z8(a,b,(f=d.b,B9.EZ(),f))),321));if(d.b==2&&d.a==0){d.b=1;d.a=i9.um(e9.DW(h9.z8(a,b,(e=d.b,e))),321)}d.d=false;if(d.a==0)throw HS(new e9.PK('SmilesParser: Unknown atom label. position:'+(b-1)));return true}if(a[b]==65&&a[b+1]==115||a[b]==83&&a[b+1]==101){d.b=2;d.a=(i9.bj(),i9.um(e9.DW(h9.z8(a,b,(e=d.b,B9.EZ(),e))),321));d.c=false;return true}if(a[b]==99||a[b]==110||a[b]==111||a[b]==112||a[b]==115){d.b=1;d.a=(i9.bj(),i9.um(e9.DW(h9.z8(a,b,(e=d.b,B9.EZ(),e))),321));d.c=false;return true}return false};i9.Cs=function Cs(a,b,c,d,e){if(b[c-1]==42){a.d=6;a.c=eT(a.c,1)}else if(b[c-1]==63){a.d=0}else if((b[c-1]==65||b[c-1]==97)&&e){a.d=6;a.c=eT(a.c,1);a.c=eT(a.c,b[c-1]==65?4:2)}else{switch(String.fromCharCode(b[c-1]).toUpperCase().charCodeAt(0)){case 66:if(c<d&&b[c]==114){a.d=35;++c}else a.d=5;break;case 67:if(c<d&&b[c]==108){a.d=17;++c}else a.d=6;break;case 70:a.d=9;break;case 73:a.d=53;break;case 78:a.d=7;break;case 79:a.d=8;break;case 80:a.d=15;break;case 83:a.d=16;}}return c};i9.Ds=function Ds(a,b,c){var d,e;c[0]=0;if(a[b]==43||a[b]==45){e=a[b];d=1;++c[0];while(a[b+c[0]]==e){++d;++c[0]}if(d==1&&BU(a[b+1]&X9)){d=a[b+1]-48;++c[0]}return e==43?d:-d}return 0};i9.Es=function Es(a,b,c,d){var e,f,g,h,i;if(b[c+1]!=40)throw HS(new e9.PK("SmilesParser: '$' for recursive SMARTS must be followed by '('. position:"+c));h=1;f=c+2;while(f<b.length&&h>0){b[f]==40?++h:b[f]==41&&--h;++f}if(h>0)throw HS(new e9.PK("SmilesParser: Missing closing ')' for recursive SMARTS. '('-position:"+(c+1)));g=new i9.Tt(16,16);i9.Ul(g,true);i=new i9.it(a.k);i9.et(i,a.n.f);i9.Ys(i,g,b,c+2,f-1,true,true);h9.s8(d.a,g);if(b[c-1]==33)for(e=0;e<g.o;e++)i9.Bl(g,e,yab,true);return f-c};i9.Fs=function Fs(a,b){this.n=a;this.k=b;this.j=(b&16)==0;this.d=-1;this.e=0;this.o=0;this.a=-1;this.g=-1;this.c=0};xT(169,1,{},i9.Fs);_.a=0;_.c=0;_.d=0;_.e=0;_.g=0;_.i=false;_.j=false;_.k=0;_.o=0;_.p=false;d9.XO=QU(169);i9.Gs=function Gs(){this.a=-1};xT(224,1,{},i9.Gs);_.a=0;_.b=0;_.c=false;_.d=false;d9.VO=QU(224);i9.Hs=function Hs(a,b,c){var d,e,f,g,h;a.a=false;a.d=b;if(BU(a.e[b]&X9)){h=i9.Is(a);a.c=a.b=h;d=b-1;while(d>1&&EU(a.e[d-1]))--d;while(a.e[a.d]==44){g=true;f=b-d;for(e=0;e<f;e++){if(a.e[d+e]!==a.e[a.d+1+e]){g=false;break}}if(!g)break;a.d+=1+f;h=i9.Is(a);a.c>h?(a.c=h):a.b<h&&(a.b=h)}return a.d-b}if(a.e[b]==123&&BU(a.e[b+1]&X9)){++a.d;a.c=i9.Is(a);if(a.e[a.d++]!=45)return 0;if(!BU(a.e[a.d]&X9))return 0;a.b=i9.Is(a);if(a.e[a.d++]!=125)return 0;return a.d-b}a.c=1;a.b=c;a.a=true;return 0};i9.Is=function Is(a){var b;b=a.e[a.d++]-48;BU(a.e[a.d]&X9)&&(b=10*b+(a.e[a.d++]-48));return b};i9.Js=function Js(a){return '{'+a.c+'-'+a.b+'}'};i9.Ks=function Ks(a){this.e=a};xT(225,1,{},i9.Ks);_.mb=function Ls(){return i9.Js(this)};_.a=false;_.b=0;_.c=0;_.d=0;d9.WO=QU(225);i9.Ms=function Ms(a,b){var c,d,e,f;f=false;a.b=b;i9.Bt(a.b,15);c=a.b.d;d=a.b.e;a.j=QM(d9.CS,xab,5,d,16,1);for(e=0;e<d;++e)a.j[e]=false;a.g=QM(d9.CS,xab,5,c,16,1);a.c=QM(d9.iO,dab,5,c,15,1);for(e=0;e<c;++e){a.g[e]=false;a.c[e]=-1}a.e=QM(d9.GQ,V9,2,3*c,6,1);a.i=0;a.d=0;a.a=0;while(!f){for(e=0;e<c;++e){if(!a.g[e]){a.a>0&&(a.e[a.i++]='.');i9.Os(a,e,-1);++a.a;break}}e==c&&(f=true)}a.f='';for(e=0;e<a.i;++e)a.f+=''+a.e[e];return a.f};i9.Ns=function Ns(a){switch(a){case 5:case 6:case 7:case 8:case 9:case 15:case 16:case 17:case 35:case 53:return true;default:return false;}};i9.Os=function Os(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;d=true;i=0;p=0;m=a.i;a.c[b]=m;h=i9.ak(a.b,b);g=i9.Rj(a.b,b);e=i9.Lj(a.b,b);f=i9.Vj(a.b,b);k=i9.cn(a.b,b);e==0&&f==0&&i9.Ns(h)&&(d=false);a.e[m]='';if(c!=-1){switch(i9.nk(a.b,c)){case 0:a.e[m]+='~';break;case 2:a.e[m]+='=';break;case 3:a.e[m]+='#';}}d&&(a.e[m]+='[');f!=0&&(a.e[m]+=''+f);a.e[m]+=''+g;if(d){if(0<(o=i9.sn(a.b,b))){a.e[m]+='H';1<o&&(a.e[m]+=o)}}if(e!=0){e>0?(a.e[m]+='+'):(a.e[m]+='-');$wnd.Math.abs(e)>1&&(a.e[m]+=''+$wnd.Math.abs(e))}d&&(a.e[m]+=']');c!=-1&&(a.j[c]=true);a.g[b]=true;++a.i;for(n=0;n<k;++n)a.j[i9.dn(a.b,b,n)]||++i;for(n=0;n<k;++n){j=i9.bn(a.b,b,n);l=i9.dn(a.b,b,n);if(a.j[l]){++p;continue}if(a.g[j]){++a.d;a.j[l]=true;switch(i9.nk(a.b,l)){case 0:a.e[a.c[j]]+='~';a.e[m]+='~';break;case 2:a.e[a.c[j]]+='=';a.e[m]+='=';break;case 3:a.e[a.c[j]]+='#';a.e[m]+='3';}if(a.d>9){a.e[a.c[j]]+='%';a.e[m]+='%'}a.e[a.c[j]]+=''+a.d;a.e[m]+=''+a.d;continue}n-p<i-1&&(a.e[a.i++]='(');i9.Os(a,j,l);n-p<i-1&&(a.e[a.i++]=')')}};i9.Ps=function Ps(){};xT(160,1,{},i9.Ps);_.a=0;_.d=0;_.i=0;d9.ZO=QU(160);i9.Qs=function Qs(a,b,c,d,e,f){var g;g=i9.gj(a.k,b,c,d);j9.m$(a.s,b+'_'+c,YM(KM(d9.iO,1),dab,5,15,[e,f]));j9.m$(a.s,c+'_'+b,YM(KM(d9.iO,1),dab,5,15,[e,f]));j9.v1(a.a,b);j9.v1(a.a,c);return g};i9.Rs=function Rs(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;j=QM(d9.iO,dab,5,a.k.d,15,1);h=QM(d9.iO,dab,5,a.k.d,15,1);i=QM(d9.iO,dab,5,a.k.d,15,1);k=QM(d9.iO,dab,5,a.k.d,15,1);c=i9.fk(a.k,0,b);d=i9.fk(a.k,1,b);h[0]=c;h[1]=d;i[0]=-1;i[1]=b;j[c]=1;j[d]=2;k[c]=-1;k[d]=c;g=1;l=1;while(g<=l&&j[h[g]]<15){o=h[g];for(m=0;m<i9.cn(a.k,o);m++){e=i9.bn(a.k,o,m);if(e!=k[o]){f=i9.dn(a.k,o,m);if(e==c){i[0]=f;for(n=0;n<=l;n++){if(!a.g[i[m]]){a.g[i[m]]=true;++a.c}}return}if(i9.Rk(a.k,e)&&j[e]==0){++l;h[l]=e;i[l]=f;j[e]=j[o]+1;k[e]=o}}}++g}return};i9.Ss=function Ss(a){var b,c,d,e,f,g,h,i,j,k,l,m,n;i9.Bt(a.k,7);l=false;m=QM(d9.iO,dab,5,2,15,1);n=QM(d9.iO,dab,5,2,15,1);k=QM(d9.iO,dab,5,2,15,1);for(d=0;d<a.k.e;d++){if(!i9.lo(a.k,d)&&i9.qk(a.k,d)==2){for(g=0;g<2;g++){m[g]=-1;k[g]=-1;b=i9.fk(a.k,g,d);for(j=0;j<i9.cn(a.k,b);j++){e=i9.dn(a.k,b,j);if(e!=d){if(m[g]==-1&&(i9.qk(a.k,e)==257||i9.qk(a.k,e)==129)){m[g]=i9.bn(a.k,b,j);n[g]=e}else{k[g]=i9.bn(a.k,b,j)}}}if(m[g]==-1)break}if(m[0]!=-1&&m[1]!=-1){i=i9.qk(a.k,n[0])==i9.qk(a.k,n[1]);for(h=0;h<2;h++)m[h]==i9.fk(a.k,0,n[h])&&(i=!i);for(f=0;f<2;f++)k[f]!=-1&&k[f]<m[f]&&(i=!i);i9.Pl(a.k,d,i?2:1,false);l=true}}}for(c=0;c<a.k.e;c++)(i9.qk(a.k,c)==257||i9.qk(a.k,c)==129)&&i9.Sl(a.k,c,1);return l};i9.Ts=function Ts(a){return a==61?2:a==35?4:a==36?32:a==58?8:a==62?16:a==126?31:1};i9.Us=function Us(a,b){var c,d,e,f,g,h,i,j,k,l,m;for(c=0;c<a.k.d;c++){if(i9.Rk(a.k,c)){i=QM(d9.iO,dab,5,a.k.d,15,1);h=QM(d9.iO,dab,5,a.k.d,15,1);j=QM(d9.iO,dab,5,a.k.d,15,1);h[0]=c;i[c]=1;j[c]=-1;g=0;k=0;while(g<=k){e=(i[h[g]]&1)==1?1:2;for(l=0;l<i9.cn(a.k,h[g]);l++){d=i9.dn(a.k,h[g],l);if(i9.nk(a.k,d)==e&&b[d]){f=i9.bn(a.k,h[g],l);if(i[f]==0){if(e==1&&i9.Rk(a.k,f)){m=h[g];while(m!=-1){i9.Sl(a.k,i9._m(a.k,f,m),e==1?2:1);e=3-e;f=m;m=j[m]}i9.yl(a.k,c,false);i9.yl(a.k,f,false);a.b-=2;return true}h[++k]=f;j[f]=h[g];i[f]=i[h[g]]+1}}}++g}}}return false};i9.Vs=function Vs(a){var b,c,d,e;for(b=0;b<a.k.d;b++){if(i9.ak(a.k,b)==7&&i9.Lj(a.k,b)==0&&i9.yn(a.k,b)>3&&i9.Um(a.k,b)>0){for(e=0;e<i9.cn(a.k,b);e++){c=i9.bn(a.k,b,e);d=i9.dn(a.k,b,e);if(i9.nk(a.k,d)>1&&i9.Pk(a.k,c)){i9.qk(a.k,d)==4?i9.Sl(a.k,d,2):i9.Sl(a.k,d,1);i9.pl(a.k,b,i9.Lj(a.k,b)+1);i9.pl(a.k,c,i9.Lj(a.k,c)-1);i9.nl(a.k,b,-1);break}}}}};i9.Ws=function Ws(a){return !a.r?'':'Unresolved SMARTS features:'+a.r};
|
|
87
|
+
i9.Xs=function Xs(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,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U;i9.Bt(a.k,1);a.g=QM(d9.CS,xab,5,a.k.e,16,1);a.c=0;for(l=0;l<a.k.e;l++){if(i9.qk(a.k,l)==8){i9.Sl(a.k,l,1);a.g[l]=true;++a.c}}t=QM(d9.CS,xab,5,a.k.d,16,1);U=new i9.hr(a.k,3);s=QM(d9.CS,xab,5,U.i.a.length,16,1);for(Q=0;Q<U.i.a.length;Q++){S=j9.hi(U.i,Q);s[Q]=true;for(A=S,D=0,H=A.length;D<H;++D){v=A[D];if(!i9.Rk(a.k,v)){s[Q]=false;break}}if(s[Q]){for(B=S,F=0,I=B.length;F<I;++F){v=B[F];t[v]=true}T=j9.hi(U.j,Q);for(w=T,C=0,G=w.length;C<G;++C){v=w[C];if(!a.g[v]){a.g[v]=true;++a.c}}}}for(m=0;m<a.k.e;m++){!a.g[m]&&(U.b[m]&X9)!=0&&i9.Rk(a.k,i9.fk(a.k,0,m))&&i9.Rk(a.k,i9.fk(a.k,1,m))&&i9.Rs(a,m)}for(n=0;n<a.k.e;n++){if(!a.g[n]){f=i9.fk(a.k,0,n);g=i9.fk(a.k,1,n);if(!t[f]&&!t[g]&&i9.Rk(a.k,f)&&i9.Rk(a.k,g)){a.g[n]=true;++a.c}}}i9.Bt(a.k,7);(a.q==2||a.q==1&&a.p)&&i9.ct(a);r=QM(d9.CS,xab,5,a.k.e,16,1);a.k.e>=0&&e9.YW(a.g,0,r,0,a.k.e);for(R=0;R<U.i.a.length;R++){if(s[R]){S=j9.hi(U.i,R);for(K=S,L=0,M=K.length;L<M;++L){J=K[L];if(!i9.dt(a,J)){if(i9.Rk(a.k,J)){i9.yl(a.k,J,false);--a.b}for(v=0;v<i9.cn(a.k,J);v++){p=i9.dn(a.k,J,v);if(a.g[p]){a.g[p]=false;--a.c}}}}}}i9.bt(a);for(P=0;P<U.i.a.length;P++){if(s[P]&&j9.hi(U.j,P).length==6){T=j9.hi(U.j,P);u=true;for(i=T,j=0,k=i.length;j<k;++j){h=i[j];if(!a.g[h]){u=false;break}}if(u){i9.at(a,T[0]);i9.at(a,T[2]);i9.at(a,T[4]);i9.bt(a)}}}for(O=5;O>=4;O--){do{N=false;for(h=0;h<a.k.e;h++){if(a.g[h]){d=0;for(q=0;q<2;q++){o=i9.fk(a.k,q,h);for(v=0;v<i9.cn(a.k,o);v++)a.g[i9.dn(a.k,o,v)]&&++d}if(d==O){i9.at(a,h);i9.bt(a);N=true;break}}}}while(N)}while(a.b>=2)if(!i9.Us(a,r))break;if(b){if(a.b!=0){for(e=0;e<a.k.d;e++){if(i9.Rk(a.k,e)){i9.yl(a.k,e,false);i9.Bl(a.k,e,2,true);--a.b;c=true}}}if(a.c!=0){for(h=0;h<a.k.e;h++){if(a.g[h]){a.g[h]=false;i9.Sl(a.k,h,8);--a.c;c=true}}}}else{for(e=0;e<a.k.d;e++){if(i9.Rk(a.k,e)&&i9.sn(a.k,e)!=0){i9.yl(a.k,e,false);i9.Cl(a.k,e,32);--a.b}}}if(a.q==0||a.q==1&&!c){if(a.b!=0)throw HS(new e9.PK(Acb));if(a.c!=0)throw HS(new e9.PK(Acb))}};i9.Ys=function Ys(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,$,ab,bb,cb,db,eb,fb,gb,hb,ib;a.k=b;i9.zt(a.k);a.s=new j9.r3;a.a=new j9.w1;!!a.r&&e9.eU(a.r,0);a.b=0;a.p=false;j=a.q!=0;T=null;o=QM(d9.iO,dab,5,32,15,1);o[0]=-1;Y=QM(d9.iO,dab,5,16,15,1);ab=QM(d9.iO,dab,5,16,15,1);$=QM(d9.iO,dab,5,16,15,1);Z=QM(d9.iO,dab,5,16,15,1);for(J=0;J<16;J++)Y[J]=-1;m=0;C=-1;bb=false;L=false;G=false;t=0;r=1;q=0;while(c[d]<=32)++d;while(d<e){cb=c[d++]&X9;if(e9.DU(cb)||cb==42||cb==63||cb==33&&j&&bb||cb==35&&j&&bb||cb==36&&j&&bb){n=new i9.Fs(a,a.j|a.q);if(bb){if((a.j&128)!=0){w=new i9.kt(d-1);d=i9.As(n,c,d,e,true,true);if(c[d-1]!=93){while(c[d-1]!=93){d=i9.As(n,c,d+1,e,true,true);++w.a}a.f.add(w)}}else{d=i9.As(n,c,d,e,j,false)}}else{d=i9.Cs(n,c,d,e,j)}bb=false;if(!n.q?null:j9.hi(n.q,0)){C=o[t];o[t]=b.o;i9.hj(b,!n.q?null:j9.hi(n.q,0));if(C!=-1&&r!=512){p=i9.gj(a.k,C,C,r);if(q!=0){a.p=true;i9.Rl(a.k,p,q,true);i9.cj(a.k,p)}}r=1;q=0;continue}if(n.d==-1&&cb!=63)throw HS(new e9.PK('SmilesParser: unknown element label found. 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88
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|
|
89
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+
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|
|
90
|
+
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b,c,d;b=~d9.hN(a)+1&Vbb;c=~d9.iN(a)+(b==0?1:0)&Vbb;d=~d9.gN(a)+(b==0&&c==0?1:0)&Tcb;d9.rN(a,b);d9.sN(a,c);d9.qN(a,d)};d9.lN=function lN(a){var b,c;c=QV(d9.gN(a));if(c==32){b=QV(d9.iN(a));return b==32?QV(d9.hN(a))+32:b+20-10}else{return c-12}};d9.mN=function mN(a){var b,c,d;c=d9.hN(a);if((c&c-1)!=0){return -1}d=d9.iN(a);if((d&d-1)!=0){return -1}b=d9.gN(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 RV(c)}if(b==0&&d!=0&&c==0){return RV(d)+22}if(b!=0&&d==0&&c==0){return RV(b)+44}return -1};d9.nN=function nN(a,b){a.h|=1<<b};d9.oN=function oN(a,b){a.l|=1<<b};d9.pN=function pN(a,b){a.m|=1<<b};d9.qN=function qN(a,b){a.h=b};d9.rN=function rN(a,b){a.l=b};d9.sN=function sN(a,b){a.m=b};d9.tN=function tN(a){return d9.hN(a)+d9.iN(a)*pcb+d9.gN(a)*Ucb};d9.uN=function uN(a){var b,c,d;c=d9.iN(a);d=d9.gN(a);b=d9.hN(a);d9.qN(a,d>>>1);d9.sN(a,c>>>1|(d&1)<<21);d9.rN(a,b>>>1|(c&1)<<21)};d9.vN=function vN(a,b){var c,d,e;e=d9.gN(a)-d9.gN(b);if(e<0){return false}c=d9.hN(a)-d9.hN(b);d=d9.iN(a)-d9.iN(b)+(c>>22);e+=d>>22;if(e<0){return false}d9.rN(a,c&Vbb);d9.sN(a,d&Vbb);d9.qN(a,e&Tcb);return true};d9.wN=function wN(a,b){var c,d,e;c=d9.hN(a)+d9.hN(b);d=d9.iN(a)+d9.iN(b)+(c>>22);e=d9.gN(a)+d9.gN(b)+(d>>22);return d9.bN(c&Vbb,d&Vbb,e&Tcb)};d9.xN=function xN(a,b){return d9.bN(d9.hN(a)&d9.hN(b),d9.iN(a)&d9.iN(b),d9.gN(a)&d9.gN(b))};d9.yN=function yN(a,b){var c,d,e,f,g,h,i,j;i=d9.gN(a)>>19;j=d9.gN(b)>>19;if(i!=j){return j-i}e=d9.gN(a);h=d9.gN(b);if(e!=h){return e-h}d=d9.iN(a);g=d9.iN(b);if(d!=g){return d-g}c=d9.hN(a);f=d9.hN(b);return c-f};d9.zN=function zN(a){var b,c,d,e,f;if(isNaN(a)){return d9.QN(),d9.PN}if(a<-9223372036854775808){return d9.QN(),d9.NN}if(a>=9223372036854775807){return d9.QN(),d9.MN}e=false;if(a<0){e=true;a=-a}d=0;if(a>=Ucb){d=dO(a/Ucb);a-=d*Ucb}c=0;if(a>=pcb){c=dO(a/pcb);a-=c*pcb}b=dO(a);f=d9.bN(b,c,d);e&&d9.kN(f);return f};d9.AN=function AN(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=d9.hN(a)&8191;d=d9.hN(a)>>13|(d9.iN(a)&15)<<9;e=d9.iN(a)>>4&8191;f=d9.iN(a)>>17|(d9.gN(a)&255)<<5;g=(d9.gN(a)&1048320)>>8;h=d9.hN(b)&8191;i=d9.hN(b)>>13|(d9.iN(b)&15)<<9;j=d9.iN(b)>>4&8191;k=d9.iN(b)>>17|(d9.gN(b)&255)<<5;l=(d9.gN(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&Vbb;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&=Vbb;u+=p>>22;p&=Vbb;u&=Tcb;return d9.bN(m,p,u)};d9.BN=function BN(a){var b,c,d;b=~d9.hN(a)+1&Vbb;c=~d9.iN(a)+(b==0?1:0)&Vbb;d=~d9.gN(a)+(b==0&&c==0?1:0)&Tcb;return d9.bN(b,c,d)};d9.CN=function CN(a){return d9.bN(~d9.hN(a)&Vbb,~d9.iN(a)&Vbb,~d9.gN(a)&Tcb)};d9.DN=function DN(a,b){return d9.bN(d9.hN(a)|d9.hN(b),d9.iN(a)|d9.iN(b),d9.gN(a)|d9.gN(b))};d9.EN=function EN(a,b){var c,d,e;b&=63;if(b<22){c=d9.hN(a)<<b;d=d9.iN(a)<<b|d9.hN(a)>>22-b;e=d9.gN(a)<<b|d9.iN(a)>>22-b}else if(b<44){c=0;d=d9.hN(a)<<b-22;e=d9.iN(a)<<b-22|d9.hN(a)>>44-b}else{c=0;d=0;e=d9.hN(a)<<b-44}return d9.bN(c&Vbb,d&Vbb,e&Tcb)};d9.FN=function FN(a,b){var c,d,e,f,g;b&=63;c=d9.gN(a);d=(c&obb)!=0;d&&(c|=-1048576);if(b<22){g=c>>b;f=d9.iN(a)>>b|c<<22-b;e=d9.hN(a)>>b|d9.iN(a)<<22-b}else if(b<44){g=d?Tcb:0;f=c>>b-22;e=d9.iN(a)>>b-22|c<<44-b}else{g=d?Tcb:0;f=d?Vbb:0;e=c>>b-44}return d9.bN(e&Vbb,f&Vbb,g&Tcb)};d9.GN=function GN(a,b){var c,d,e,f;b&=63;c=d9.gN(a)&Tcb;if(b<22){f=c>>>b;e=d9.iN(a)>>b|c<<22-b;d=d9.hN(a)>>b|d9.iN(a)<<22-b}else if(b<44){f=0;e=c>>>b-22;d=d9.iN(a)>>b-22|d9.gN(a)<<44-b}else{f=0;e=0;d=c>>>b-44}return d9.bN(d&Vbb,e&Vbb,f&Tcb)};d9.HN=function HN(a,b){var c,d,e;c=d9.hN(a)-d9.hN(b);d=d9.iN(a)-d9.iN(b)+(c>>22);e=d9.gN(a)-d9.gN(b)+(d>>22);return d9.bN(c&Vbb,d&Vbb,e&Tcb)};d9.IN=function IN(a){if(d9.yN(a,(d9.QN(),d9.PN))<0){return -d9.tN(d9.BN(a))}return d9.hN(a)+d9.iN(a)*pcb+d9.gN(a)*Ucb};d9.JN=function JN(a){return d9.hN(a)|d9.iN(a)<<22};d9.KN=function KN(a){var b,c,d,e,f;if(d9.hN(a)==0&&d9.iN(a)==0&&d9.gN(a)==0){return '0'}if(d9.gN(a)==obb&&d9.iN(a)==0&&d9.hN(a)==0){return '-9223372036854775808'}if(d9.gN(a)>>19!=0){return '-'+d9.KN(d9.BN(a))}c=a;d='';while(!(d9.hN(c)==0&&d9.iN(c)==0&&d9.gN(c)==0)){e=d9._M(Vcb);c=d9.cN(c,e,true);b=''+d9.JN(d9.$M);if(!(d9.hN(c)==0&&d9.iN(c)==0&&d9.gN(c)==0)){f=9-h9.$8(b).length;for(;f>0;f--){b='0'+b}}d=b+d}return d};d9.LN=function LN(a,b){return d9.bN(d9.hN(a)^d9.hN(b),d9.iN(a)^d9.iN(b),d9.gN(a)^d9.gN(b))};d9.QN=function QN(){d9.QN=zT;d9.MN=d9.bN(Vbb,Vbb,524287);d9.NN=d9.bN(0,0,obb);d9.ON=d9._M(1);d9._M(2);d9.PN=d9._M(0)};function IS(a,b){var c;if(d9.YS(a)&&d9.YS(b)){c=d9.LS(d9.MS(a))+d9.LS(d9.MS(b));if(Wcb<c&&c<Ucb){return d9.RS(c)}}return d9.QS(d9.wN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b)))}
|
|
93
|
+
function JS(a,b){return d9.QS(d9.xN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b)))}
|
|
94
|
+
d9.KS=function KS(a){return a};d9.LS=function LS(a){return a};d9.MS=function MS(a){return a};d9.NS=function NS(a){return a|0};function OS(a,b){var c;if(d9.YS(a)&&d9.YS(b)){c=d9.LS(d9.MS(a))-d9.LS(d9.MS(b));if(!isNaN(c)){return c}}return d9.yN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b))}
|
|
95
|
+
d9.PS=function PS(a){return a};d9.QS=function QS(a){var b;b=d9.gN(a);if(b==0){return d9.RS(d9.hN(a)+d9.iN(a)*pcb)}if(b==Tcb){return d9.RS(d9.hN(a)+d9.iN(a)*pcb-Ucb)}return d9.PS(a)};d9.RS=function RS(a){return a};function SS(a,b){var c;if(d9.YS(a)&&d9.YS(b)){c=d9.LS(d9.MS(a))/d9.LS(d9.MS(b));if(Wcb<c&&c<Ucb){return d9.RS(c<0?$wnd.Math.ceil(c):$wnd.Math.floor(c))}}return d9.QS(d9.cN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b),false))}
|
|
96
|
+
function TS(a,b){return OS(a,b)==0}
|
|
97
|
+
function US(a){if(Wcb<a&&a<Ucb){return d9.RS(a<0?$wnd.Math.ceil(a):$wnd.Math.floor(a))}return d9.QS(d9.zN(a))}
|
|
98
|
+
function VS(a){return d9.RS(a)}
|
|
99
|
+
function WS(a,b){return OS(a,b)>0}
|
|
100
|
+
function XS(a,b){return OS(a,b)>=0}
|
|
101
|
+
d9.YS=function YS(a){return typeof a===M9};function ZS(a,b){return OS(a,b)<0}
|
|
102
|
+
function $S(a,b){return OS(a,b)<=0}
|
|
103
|
+
function _S(a,b){var c;if(d9.YS(a)&&d9.YS(b)){c=d9.LS(d9.MS(a))%d9.LS(d9.MS(b));if(Wcb<c&&c<Ucb){return d9.RS(c)}}return d9.QS((d9.cN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b),true),d9.$M))}
|
|
104
|
+
function aT(a,b){var c;if(d9.YS(a)&&d9.YS(b)){c=d9.LS(d9.MS(a))*d9.LS(d9.MS(b));if(Wcb<c&&c<Ucb){return d9.RS(c)}}return d9.QS(d9.AN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b)))}
|
|
105
|
+
function bT(a){var b;if(d9.YS(a)){b=0-d9.LS(d9.MS(a));if(!isNaN(b)){return d9.RS(b)}}return d9.QS(d9.BN(d9.KS(a)))}
|
|
106
|
+
function cT(a,b){return OS(a,b)!=0}
|
|
107
|
+
function dT(a){return d9.QS(d9.CN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a)))}
|
|
108
|
+
function eT(a,b){return d9.QS(d9.DN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b)))}
|
|
109
|
+
function fT(a,b){return d9.QS(d9.EN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),b))}
|
|
110
|
+
function gT(a,b){return d9.QS(d9.FN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),b))}
|
|
111
|
+
function hT(a,b){return d9.QS(d9.GN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),b))}
|
|
112
|
+
function iT(a,b){var c;if(d9.YS(a)&&d9.YS(b)){c=d9.LS(d9.MS(a))-d9.LS(d9.MS(b));if(Wcb<c&&c<Ucb){return d9.RS(c)}}return d9.QS(d9.HN(d9.YS(a)?d9.jT(d9.MS(a)):d9.KS(a),d9.YS(b)?d9.jT(d9.MS(b)):d9.KS(b)))}
|
|
113
|
+
d9.jT=function jT(a){var b,c,d,e;e=d9.LS(a);d=0;if(e<0){e+=Ucb;d=Tcb}c=dO(e/pcb);b=dO(e-c*pcb);return d9.bN(b,c,d)};function kT(a){var b;if(d9.YS(a)){b=d9.LS(d9.MS(a));return b==-0.?0:b}return d9.IN(d9.KS(a))}
|
|
114
|
+
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121
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123
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126
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129
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130
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133
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eT(c,d)};d9.fO=TU('C');d9.BS=TU('S');d9.eO=TU('B');d9.iO=TU('I');d9.CS=TU('Z');d9.gO=TU('D');d9.hO=TU('F');d9.jO=TU('J');q9.kC();_=DT('OCL.Molecule',q9.nC);_.CANONIZER_ASSIGN_PARITIES_TO_TETRAHEDRAL_N=q9.Mx;_.CANONIZER_CONSIDER_DIASTEREOTOPICITY=q9.Nx;_.CANONIZER_CONSIDER_ENANTIOTOPICITY=q9.Ox;_.CANONIZER_CONSIDER_STEREOHETEROTOPICITY=q9.Px;_.CANONIZER_COORDS_ARE_3D=q9.Qx;_.CANONIZER_CREATE_PSEUDO_STEREO_GROUPS=q9.Rx;_.CANONIZER_CREATE_SYMMETRY_RANK=q9.Sx;_.CANONIZER_DISTINGUISH_RACEMIC_OR_GROUPS=q9.Tx;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS=q9.Ux;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS_WITHOUT_RANKING=q9.Vx;_.CANONIZER_ENCODE_ATOM_SELECTION=q9.Wx;_.CANONIZER_NEGLECT_ANY_STEREO_INFORMATION=q9.Xx;_.CANONIZER_TIE_BREAK_FREE_VALENCE_ATOMS=q9.Yx;_.FISCHER_PROJECTION_LIMIT=q9.Zx;_.FISCHER_PROJECTION_RING_LIMIT=q9.$x;_.STEREO_ANGLE_LIMIT=q9._x;_.VALIDATION_ERRORS_STEREO=q9.ay;_.VALIDATION_ERROR_AMBIGUOUS_CONFIGURATION=q9.by;_.VALIDATION_ERROR_ESR_CENTER_UNKNOWN=q9.cy;_.VALIDATION_ERROR_OVER_UNDER_SPECIFIED=q9.dy;_.cAtomCIPParityNone=q9.ey;_.cAtomCIPParityProblem=q9.fy;_.cAtomCIPParityRorM=q9.gy;_.cAtomCIPParitySorP=q9.hy;_.cAtomColorBlue=q9.iy;_.cAtomColorDarkGreen=q9.jy;_.cAtomColorDarkRed=q9.ky;_.cAtomColorGreen=q9.ly;_.cAtomColorMagenta=q9.my;_.cAtomColorNone=q9.ny;_.cAtomColorOrange=q9.oy;_.cAtomColorRed=q9.py;_.cAtomLabel=q9.qy;_.cAtomParity1=q9.ry;_.cAtomParity2=q9.sy;_.cAtomParityIsPseudo=q9.ty;_.cAtomParityNone=q9.uy;_.cAtomParityUnknown=q9.vy;_.cAtomQFAny=q9.wy;_.cAtomQFAromState=q9.xy;_.cAtomQFAromStateBits=q9.yy;_.cAtomQFAromStateShift=q9.zy;_.cAtomQFAromatic=q9.Ay;_.cAtomQFCharge=q9.By;_.cAtomQFChargeBits=q9.Cy;_.cAtomQFChargeShift=q9.Dy;_.cAtomQFENeighbourBits=q9.Ey;_.cAtomQFENeighbourShift=q9.Fy;_.cAtomQFENeighbours=q9.Gy;_.cAtomQFExcludeGroup=q9.Hy;_.cAtomQFFlatNitrogen=q9.Iy;_.cAtomQFHeteroAromatic=q9.Jy;_.cAtomQFHydrogen=q9.Ky;_.cAtomQFHydrogenBits=q9.Ly;_.cAtomQFHydrogenShift=q9.My;_.cAtomQFIsNotStereo=q9.Ny;_.cAtomQFIsStereo=q9.Oy;_.cAtomQFMatchStereo=q9.Py;_.cAtomQFMoreNeighbours=q9.Qy;_.cAtomQFNarrowing=q9.Ry;_.cAtomQFNeighbourBits=q9.Sy;_.cAtomQFNeighbourShift=q9.Ty;_.cAtomQFNeighbours=q9.Uy;_.cAtomQFNewRingSize=q9.Vy;_.cAtomQFNewRingSizeBits=q9.Wy;_.cAtomQFNewRingSizeShift=q9.Xy;_.cAtomQFNoMoreNeighbours=q9.Yy;_.cAtomQFNoOfBits=q9.Zy;_.cAtomQFNot0ENeighbours=q9.$y;_.cAtomQFNot0Hydrogen=q9._y;_.cAtomQFNot0Neighbours=q9.az;_.cAtomQFNot0PiElectrons=q9.bz;_.cAtomQFNot1ENeighbour=q9.cz;_.cAtomQFNot1Hydrogen=q9.dz;_.cAtomQFNot1Neighbour=q9.ez;_.cAtomQFNot1PiElectron=q9.fz;_.cAtomQFNot2ENeighbours=q9.gz;_.cAtomQFNot2Hydrogen=q9.hz;_.cAtomQFNot2Neighbours=q9.iz;_.cAtomQFNot2PiElectrons=q9.jz;_.cAtomQFNot2RingBonds=q9.kz;_.cAtomQFNot3ENeighbours=q9.lz;_.cAtomQFNot3Hydrogen=q9.mz;_.cAtomQFNot3Neighbours=q9.nz;_.cAtomQFNot3RingBonds=q9.oz;_.cAtomQFNot4ENeighbours=q9.pz;_.cAtomQFNot4Neighbours=q9.qz;_.cAtomQFNot4RingBonds=q9.rz;_.cAtomQFNotAromatic=q9.sz;_.cAtomQFNotChain=q9.tz;_.cAtomQFNotCharge0=q9.uz;_.cAtomQFNotChargeNeg=q9.vz;_.cAtomQFNotChargePos=q9.wz;_.cAtomQFPiElectronBits=q9.xz;_.cAtomQFPiElectronShift=q9.yz;_.cAtomQFPiElectrons=q9.zz;_.cAtomQFRingSize0=q9.Az;_.cAtomQFRingSize3=q9.Bz;_.cAtomQFRingSize4=q9.Cz;_.cAtomQFRingSize5=q9.Dz;_.cAtomQFRingSize6=q9.Ez;_.cAtomQFRingSize7=q9.Fz;_.cAtomQFRingSizeLarge=q9.Gz;_.cAtomQFRingState=q9.Hz;_.cAtomQFRingStateBits=q9.Iz;_.cAtomQFRingStateShift=q9.Jz;_.cAtomQFRxnParityBits=q9.Kz;_.cAtomQFRxnParityHint=q9.Lz;_.cAtomQFRxnParityInvert=q9.Mz;_.cAtomQFRxnParityRacemize=q9.Nz;_.cAtomQFRxnParityRetain=q9.Oz;_.cAtomQFRxnParityShift=q9.Pz;_.cAtomQFSimpleFeatures=q9.Qz;_.cAtomQFSmallRingSize=q9.Rz;_.cAtomQFSmallRingSizeBits=q9.Sz;_.cAtomQFSmallRingSizeShift=q9.Tz;_.cAtomQFStereoState=q9.Uz;_.cAtomQFStereoStateBits=q9.Vz;_.cAtomQFStereoStateShift=q9.Wz;_.cAtomRadicalState=q9.Xz;_.cAtomRadicalStateD=q9.Yz;_.cAtomRadicalStateNone=q9.Zz;_.cAtomRadicalStateS=q9.$z;_.cAtomRadicalStateShift=q9._z;_.cAtomRadicalStateT=q9.aA;_.cAtomValence=q9.bA;_.cBondCIPParityEorP=q9.cA;_.cBondCIPParityNone=q9.dA;_.cBondCIPParityProblem=q9.eA;_.cBondCIPParityZorM=q9.fA;_.cBondParityEor1=q9.gA;_.cBondParityNone=q9.hA;_.cBondParityUnknown=q9.iA;_.cBondParityZor2=q9.jA;_.cBondQFAllFeatures=q9.kA;_.cBondQFAromState=q9.lA;_.cBondQFAromStateBits=q9.mA;_.cBondQFAromStateShift=q9.nA;_.cBondQFAromatic=q9.oA;_.cBondQFBondTypes=q9.pA;_.cBondQFBondTypesBits=q9.qA;_.cBondQFBondTypesShift=q9.rA;_.cBondQFBridge=q9.sA;_.cBondQFBridgeBits=q9.tA;_.cBondQFBridgeMin=q9.uA;_.cBondQFBridgeMinBits=q9.vA;_.cBondQFBridgeMinShift=q9.wA;_.cBondQFBridgeShift=q9.xA;_.cBondQFBridgeSpan=q9.yA;_.cBondQFBridgeSpanBits=q9.zA;_.cBondQFBridgeSpanShift=q9.AA;_.cBondQFDelocalized=q9.BA;_.cBondQFDouble=q9.CA;_.cBondQFMatchFormalOrder=q9.DA;_.cBondQFMatchStereo=q9.EA;_.cBondQFMetalLigand=q9.FA;_.cBondQFNarrowing=q9.GA;_.cBondQFNoOfBits=q9.HA;_.cBondQFNotAromatic=q9.IA;_.cBondQFNotRing=q9.JA;_.cBondQFQuadruple=q9.KA;_.cBondQFQuintuple=q9.LA;_.cBondQFRareBondTypes=q9.MA;_.cBondQFRareBondTypesBits=q9.NA;_.cBondQFRareBondTypesShift=q9.OA;_.cBondQFRing=q9.PA;_.cBondQFRingSize=q9.QA;_.cBondQFRingSizeBits=q9.RA;_.cBondQFRingSizeShift=q9.SA;_.cBondQFRingState=q9.TA;_.cBondQFRingStateBits=q9.UA;_.cBondQFRingStateShift=q9.VA;_.cBondQFSimpleFeatures=q9.WA;_.cBondQFSingle=q9.XA;_.cBondQFTriple=q9.YA;_.cBondTypeCross=q9.ZA;_.cBondTypeDeleted=q9.$A;_.cBondTypeDelocalized=q9._A;_.cBondTypeDouble=q9.aB;_.cBondTypeDown=q9.bB;_.cBondTypeIncreaseOrder=q9.cB;_.cBondTypeMaskSimple=q9.dB;_.cBondTypeMaskStereo=q9.eB;_.cBondTypeMetalLigand=q9.fB;_.cBondTypeQuadruple=q9.gB;_.cBondTypeQuintuple=q9.hB;_.cBondTypeSingle=q9.iB;_.cBondTypeTriple=q9.jB;_.cBondTypeUp=q9.kB;_.cChiralityDiastereomers=q9.lB;_.cChiralityEpimers=q9.mB;_.cChiralityIsomerCountMask=q9.nB;_.cChiralityKnownEnantiomer=q9.oB;_.cChiralityMeso=q9.pB;_.cChiralityNotChiral=q9.qB;_.cChiralityRacemic=q9.rB;_.cChiralityUnknown=q9.sB;_.cChiralityUnknownEnantiomer=q9.tB;_.cCommonOxidationState=q9.uB;_.cDefaultAVBL=q9.vB;_.cDefaultAllowedPseudoAtoms=q9.wB;_.cDefaultAtomValence=q9.xB;_.cESRGroupBits=q9.yB;_.cESRMaxGroups=q9.zB;_.cESRTypeAbs=q9.AB;_.cESRTypeAnd=q9.BB;_.cESRTypeOr=q9.CB;_.cHelperAll=q9.DB;_.cHelperBitCIP=q9.EB;_.cHelperBitIncludeNitrogenParities=q9.FB;_.cHelperBitNeighbours=q9.GB;_.cHelperBitParities=q9.HB;_.cHelperBitRings=q9.IB;_.cHelperBitRingsSimple=q9.JB;_.cHelperBitSymmetrySimple=q9.KB;_.cHelperBitSymmetryStereoHeterotopicity=q9.LB;_.cHelperBitsStereo=q9.MB;_.cHelperCIP=q9.NB;_.cHelperNeighbours=q9.OB;_.cHelperNone=q9.PB;_.cHelperParities=q9.QB;_.cHelperRings=q9.RB;_.cHelperRingsSimple=q9.SB;_.cHelperSymmetrySimple=q9.TB;_.cHelperSymmetryStereoHeterotopicity=q9.UB;_.cMaxAtomicNo=q9.VB;_.cMaxConnAtoms=q9.WB;_.cMoleculeColorDefault=q9.XB;_.cMoleculeColorNeutral=q9.YB;_.cPseudoAtomA=q9.ZB;_.cPseudoAtomAttachmentPoint=q9.$B;_.cPseudoAtomPolymer=q9._B;_.cPseudoAtomR=q9.aC;_.cPseudoAtomX=q9.bC;_.cPseudoAtomsAGroups=q9.cC;_.cPseudoAtomsAll=q9.dC;_.cPseudoAtomsAminoAcids=q9.eC;_.cPseudoAtomsHydrogenIsotops=q9.fC;_.cPseudoAtomsRGroups=q9.gC;_.cRoundedMass=q9.hC;_.fromIDCode=q9.gD;_.fromMolfile=q9.jD;_.fromMolfileWithAtomMap=q9.kD;_.fromSmiles=q9.lD;_.getAngle=q9.uD;_.getAngleDif=q9.vD;_.getAtomicNoFromLabel=q9.VD;_.getDefaultAverageBondLength=q9.yE;_.isAtomicNoElectronegative=q9.EF;_.isAtomicNoElectropositive=q9.FF;_.setDefaultAverageBondLength=q9.bH;_=DT('OCL.Reaction');_.create=q9.RH;_.fromMolecules=q9.SH;_.fromRxn=q9.TH;_.fromSmiles=q9.UH;_=DT('OCL.RingCollection');_.MAX_SMALL_RING_SIZE=q9.tI;_.MODE_SMALL_AND_LARGE_RINGS=q9.uI;_.MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY=q9.vI;_.MODE_SMALL_RINGS_AND_AROMATICITY=q9.wI;_.MODE_SMALL_RINGS_ONLY=q9.xI;_=DT('OCL.SDFileParser',q9.SI);_=DT('OCL.SSSearcher',q9.cJ);_=DT('OCL.SSSearcherWithIndex',q9.jJ);_.bitCount=q9.kJ;_.getHexStringFromIndex=q9.mJ;_.getIndexFromHexString=q9.nJ;_.getKeyIDCode=q9.oJ;_.getSimilarityAngleCosine=q9.qJ;_.getSimilarityTanimoto=q9.rJ;_=DT('OCL.SmilesParser',q9.wJ);_=DT('OCL.Util',q9.DJ);_.getHoseCodesFromDiastereotopicID=q9.EJ;_=DT('java.io.Serializable');_.$isInstance=XT;e9.oU();_=DT('java.lang.Boolean');_.$isInstance=uU;_=DT('java.lang.CharSequence');_.$isInstance=xU;_=DT('java.lang.Cloneable');_.$isInstance=dV;_=DT('java.lang.Comparable');_.$isInstance=eV;_=DT('java.lang.Double');_.$isInstance=pV;_=DT('java.lang.Number');_.$isInstance=e9.gV;_=DT('java.lang.String');_.$isInstance=sW;_=DT('java.lang.Throwable');_.of=LK;_=DT('java.util.List');_.copyOf=j9.u4;_=DT('java.util.Map');_.copyOf=j9.y4;_=DT('java.util.Set');_.copyOf=j9.V4;_=DT('javaemul.internal.HashCodes',h9.E8);_.getIdentityHashCode=h9.F8;_.getNextHash=h9.G8;_.getObjectIdentityHashCode=h9.H8;_=DT('javaemul.internal.JsUtils');_.toDoubleFromUnsignedInt=h9.Z8;var c9=(g9.pL(),sL);var gwtOnLoad=gwtOnLoad=sT;qT(GT);tT('permProps',[[['locale','default'],['user.agent','safari']]]);$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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141
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// End GWT code
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143
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var toReturn = $wnd["OCL"];
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144
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145
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-
toReturn.version = '8.
|
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+
toReturn.version = '8.20.2';
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return toReturn;
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}
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