openchemlib 8.13.0 → 8.14.0

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Files changed (6) hide show
  1. package/dist/openchemlib-core.js +143 -143
  2. package/dist/openchemlib-full.js +155 -155
  3. package/dist/openchemlib-full.pretty.js +76 -72
  4. package/dist/openchemlib-minimal.js +109 -108
  5. package/package.json +1 -1
  6. package/types.d.ts +4 -4
package/dist/openchemlib-minimal.js CHANGED
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.13.0
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- * @date 2024-05-28T09:16:01.088Z
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+ * @version v8.14.0
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+ * @date 2024-06-19T16:49:17.718Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -24,119 +24,120 @@
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r1.Pd;e.a=b.a;e.c=b.c;e.b=(b.a+b.b)/2;e.d=(b.c+b.d)/2;f.a=e.b;f.c=e.d;f.b=b.b;f.d=b.d;if(r1.Dd(a,e)){r1.Hd(a,a.p[c]);g=w2+n1.yT(J1.EV(J1.BV(new J1.FV(e.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(e.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(e.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(e.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,g)}if(r1.Dd(a,f)){r1.Hd(a,a.p[d]);g=w2+n1.yT(J1.EV(J1.BV(new J1.FV(f.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(f.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(f.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(f.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,g)}r1.Hd(a,a.P)};r1.Vc=function Vc(a,b,c,d){var e,f,g,h,i,j,k,l,m;l=(b.b-b.a)/10;m=(b.d-b.c)/10;e=new r1.Pd;if(r1.yk(a.K,r1.Om(a.K,c,d))){f=-3;g=-3}else{f=a.p[c];g=a.p[d]}r1.Hd(a,f);e.a=b.a;e.c=b.c;e.b=b.a+l*2;e.d=b.c+m*2;i=w2+n1.yT(J1.EV(J1.BV(new J1.FV(e.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(e.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(e.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(e.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,i);e.a=b.a+l*4;e.c=b.c+m*4;e.b=b.a+l*5;e.d=b.c+m*5;j=w2+n1.yT(J1.EV(J1.BV(new J1.FV(e.a),J1.tX)))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(e.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(e.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(e.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,j);r1.Hd(a,g);e.a=b.a+l*5;e.c=b.c+m*5;e.b=b.a+l*6;e.d=b.c+m*6;k=w2+n1.yT(J1.EV(J1.BV(new J1.FV(e.a),J1.tX)))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(e.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(e.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(e.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,k);e.a=b.a+l*8;e.c=b.c+m*8;e.b=b.b;e.d=b.d;h=w2+n1.yT(J1.EV(J1.BV(new J1.FV(e.a),J1.tX)))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(e.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(e.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(e.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,h);r1.Hd(a,a.P)};r1.Wc=function Wc(a,b,c){r1.Wr(a,b-a.U/2,c-a.U/2,a.U)};r1.Xc=function Xc(a,b,c,d){var e;if(r1.yk(a.K,r1.Om(a.K,c,d))){r1.Hd(a,-3);e=w2+n1.yT(J1.EV(J1.BV(new J1.FV(b.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(b.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(b.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(b.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,e);r1.Hd(a,a.P)}else if(a.p[c]!=a.p[d]){r1.Uc(a,b,c,d)}else if(a.p[c]!=0){r1.Hd(a,a.p[c]);e=w2+n1.yT(J1.EV(J1.BV(new J1.FV(b.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(b.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(b.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(b.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,e);r1.Hd(a,a.P)}else{e=w2+n1.yT(J1.EV(J1.BV(new J1.FV(b.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(b.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(b.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(b.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,e)}};r1.Yc=function Yc(a,b,c,d,e,f,g){g.a=b.a+e;g.c=b.c+f;g.b=b.b+e;g.d=b.d+f;r1.Xc(a,g,c,d)};r1.Zc=function Zc(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;l=b.b-b.a;o=b.d-b.c;i=$wnd.Math.sqrt(l*l+o*o);j=2*DR(kR($wnd.Math.round(i/(4*a.X))));m=l/(j-1);p=o/(j-1);if(r1.yk(a.K,r1.Om(a.K,c,d))){e=-3;f=-3}else{e=a.p[c];f=a.p[d]}k=b.a-a.X/2;n=b.c-a.X/2;r1.Hd(a,e);for(h=0;h<(j/2|0);h++){r1.Wr(a,k,n,a.X);k+=m;n+=p}r1.Hd(a,f);for(g=0;g<(j/2|0);g++){r1.Wr(a,k,n,a.X);k+=m;n+=p}r1.Hd(a,a.P)};r1.$c=function $c(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;i=(b.c-b.d)/9;n=(b.b-b.a)/9;j=b.b+i;o=b.d+n;k=b.b-i;p=b.d-n;l=(b.a+j)/2;q=(b.c+o)/2;m=(b.a+k)/2;r=(b.c+p)/2;g=new y1._w(3);h=new y1._w(4);y1.$w(g,b.a,b.c);y1.$w(g,l,q);y1.$w(g,m,r);y1.$w(h,m,r);y1.$w(h,l,q);y1.$w(h,j,o);y1.$w(h,k,p);if(r1.yk(a.K,r1.Om(a.K,c,d))){e=-3;f=-3}else{e=a.p[c];f=a.p[d];if(a.K.M!=1){f=r1.bd(a,c);e==r1.zj(a.K,c)&&(e=f)}}r1.Hd(a,e);r1.Ur(a,g);r1.Hd(a,f);r1.Ur(a,h);r1.Hd(a,a.P)};r1._c=function _c(a,b){var c,d;for(d=0;d<a.Z.a.length;d++)a.v=y1.dx(a.v,s1.Xh(a.Z,d));r1.ad(a,b);c=0.1*b;a.v.c-=c;a.v.d-=c;a.v.b+=2*c;a.v.a+=2*c};r1.ad=function ad(a,b){var c,d,e,f,g,h,i;e=iM(m1.UQ,E2,5,a.K.o,16,1);for(d=0;d<a.K.p;d++){if(r1.wk(a.K,d)){e[r1.Uj(a.K,0,d)]=true;e[r1.Uj(a.K,1,d)]=true}}g=new y1.ex;for(c=0;c<a.K.o;c++){f=uR(_Q(r1.Kj(a.K,c),F2),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=r1.gh(a.Q,r1.Mj(a.K,c));i=r1.hh(a.Q,r1.Nj(a.K,c));y1.cx(g,h-f,i-f,f*2,f*2);a.v=y1.dx(a.v,g)}}};r1.bd=function bd(a,b){var c,d;if((a.F&4224)!=0)return a.p[b];d=r1.cd(a,b);if(d==-1){c=r1.wm(a.K,b);if(c!=-1){b=c;d=r1.cd(a,b)}}if(d==-1)return a.p[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};
74
- r1.cd=function cd(a,b){var c,d,e;e=-1;d=-1;if((a.F&128)!=0)return e;if(r1.uk(a.K,b)){e=r1.Dj(a.K,b);d=r1.Cj(a.K,b)}c=r1.ym(a.K,b);if(c!=-1){e=r1.Zj(a.K,c);d=r1.Yj(a.K,c)}e!=-1&&e!=0&&(e|=d<<8);return e};r1.dd=function dd(a){var b,c,d,e,f;r1.Zr(a,2*a.R);e=new r1.Pd;for(d=0;d<a.K.p;d++){b=r1.Uj(a.K,0,d);c=r1.Uj(a.K,1,d);if(r1.wk(a.K,d)){e.a=r1.gh(a.Q,r1.Mj(a.K,b));e.c=r1.hh(a.Q,r1.Nj(a.K,b));e.b=r1.gh(a.Q,r1.Mj(a.K,c));e.d=r1.hh(a.Q,r1.Nj(a.K,c));r1.Hd(a,-2);f=w2+n1.yT(J1.EV(J1.BV(new J1.FV(e.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(e.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(e.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(e.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,f)}}};r1.ed=function ed(a){var b,c,d,e,f,g,h;if(a.K.I){g=a.V;r1.Hd(a,-7);for(b=0;b<a.K.d;b++)uR(_Q(r1.Kj(a.K,b),F2),0)&&r1.Wr(a,r1.gh(a.Q,r1.Mj(a.K,b))-g,r1.hh(a.Q,r1.Nj(a.K,b))-g,2*g);r1.Zr(a,2*a.V);f=new r1.Pd;for(e=0;e<a.K.p;e++){c=r1.Uj(a.K,0,e);d=r1.Uj(a.K,1,e);if(uR(_Q(_Q(r1.Kj(a.K,c),r1.Kj(a.K,d)),F2),0)){f.a=r1.gh(a.Q,r1.Mj(a.K,c));f.c=r1.hh(a.Q,r1.Nj(a.K,c));f.b=r1.gh(a.Q,r1.Mj(a.K,d));f.d=r1.hh(a.Q,r1.Nj(a.K,d));h=w2+n1.yT(J1.EV(J1.BV(new J1.FV(f.a),(J1.xX(),J1.tX))))+x2+y2+n1.yT(J1.EV(J1.BV(new J1.FV(f.c),J1.tX)))+x2+z2+n1.yT(J1.EV(J1.BV(new J1.FV(f.b),J1.tX)))+x2+A2+n1.yT(J1.EV(J1.BV(new J1.FV(f.d),J1.tX)))+x2+B2+a.d+x2+C2+a.j+D2;r1.cs(a,h)}}}};r1.fd=function fd(a){var b,c,d,e;if(a.K.I){r1.Hd(a,320);if((a.F&8)!=0)for(b=0;b<a.K.d;b++)uR(_Q(r1.Kj(a.K,b),-536870913),0)&&r1.Wr(a,r1.gh(a.Q,r1.Mj(a.K,b))-a.Y/2,r1.hh(a.Q,r1.Nj(a.K,b))-a.Y/2,a.Y);for(e=0;e<a.K.e;e++){if(r1.ck(a.K,e)!=0){c=r1.Uj(a.K,0,e);d=r1.Uj(a.K,1,e);r1.Wr(a,(r1.gh(a.Q,r1.Mj(a.K,c))+r1.gh(a.Q,r1.Mj(a.K,d))-a.Y)/2,(r1.hh(a.Q,r1.Nj(a.K,c))+r1.hh(a.Q,r1.Nj(a.K,d))-a.Y)/2,a.Y)}}}};r1.gd=function gd(a){a.I=1;a.Q=new r1.ih;a.Z=new s1.ki;a.T=new s1.ki;a.s=iM(m1.UQ,E2,5,a.K.o,16,1);a.w=new 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y1.Xw;e=r1.Uj(a.K,0,b);f=r1.Uj(a.K,1,b);r1.Yr(a,b,r1.gh(a.Q,r1.Mj(a.K,e)),r1.hh(a.Q,r1.Nj(a.K,e)),r1.gh(a.Q,r1.Mj(a.K,f)),r1.hh(a.Q,r1.Nj(a.K,f)));!r1.Jk(a.K,e)&&!r1.Jk(a.K,f)&&uR(_Q(wR(r1.Kj(a.K,e),r1.Kj(a.K,f)),F2),0)&&r1.Hd(a,-8);if(!a.o[e]){u.a=r1.gh(a.Q,r1.Mj(a.K,e));u.c=r1.hh(a.Q,r1.Nj(a.K,e))}else{u.a=a.o[e].a;u.c=a.o[e].b}if(!a.o[f]){u.b=r1.gh(a.Q,r1.Mj(a.K,f));u.d=r1.hh(a.Q,r1.Nj(a.K,f))}else{u.b=a.o[f].a;u.d=a.o[f].b}if((r1.ck(a.K,b)&q3)!=0){r1.Dd(a,u)&&r1.Tr(a,u);r1.Hd(a,-9);return}h=r1.dk(a.K,b)==64?0:r1.dk(a.K,b)==32?1:r1.ak(a.K,b);switch(h){case 1:i=r1.dk(a.K,b);if((a.F&128)!=0&&(i==257||i==129)){t=r1.Uj(a.K,0,b);n=r1.Dj(a.K,t);if(n!=0){m=r1.Cj(a.K,t);l=0;for(d=0;d<a.K.d;d++)r1.Dj(a.K,d)==n&&r1.Cj(a.K,d)==m&&++l;l==1&&(i=1)}}switch(i){case 1:r1.Dd(a,u)&&r1.Xc(a,u,e,f);break;case 257:r1.Ad(a,u,e,f);break;case 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r1.pe(a,b,c);if(r1.Pj(a.P,b)!=15&&r1.Pj(a.P,b)!=16)return false}if(r1.Rm(a.P,b)<3||r1.Cm(a.P,b)>4)return false;if(r1.yj(a.P,b)>0&&r1.Pj(a.P,b)==6)return false;if(r1.Pj(a.P,b)==5&&r1.Cm(a.P,b)!=4)return false;if(a.P.I){if(uR(_Q(r1.Kj(a.P,b),F2),0))return false;for(h=0;h<r1.Cm(a.P,b);h++)if(uR(_Q(r1.Kj(a.P,r1.Qm(a.P,b,h)),F2),0))return false}if(r1.Pj(a.P,b)==7&&!a.Q[b])return false;o=iM(m1.DN,k2,5,4,15,1);p=iM(m1.DN,k2,5,4,15,1);k=iM(m1.UQ,E2,5,4,16,1);for(i=0;i<r1.Cm(a.P,b);i++){f=-1;e=0;for(j=0;j<r1.Cm(a.P,b);j++){if(!k[j]){if(f<a.d[r1.Qm(a.P,b,j)]){f=a.d[r1.Qm(a.P,b,j)];e=j}}}o[i]=e;p[i]=f;k[e]=true}if(r1.Cm(a.P,b)==4&&p[0]==p[1]&&p[2]==p[3])return false;if(r1.Cm(a.P,b)==4&&(p[0]==p[2]||p[1]==p[3]))return false;if(r1.Cm(a.P,b)==3&&p[0]==p[2])return false;l=0;m=0;n=false;for(g=1;g<r1.Cm(a.P,b);g++){if(p[g-1]==p[g]){if(c==1||p[g]==0)return false;l=r1.Qm(a.P,b,o[g-1]);m=r1.Qm(a.P,b,o[g]);c==3&&r1.Vn(a.P,r1.Sm(a.P,b,o[g]))&&(a.U[b]=true);n=true}}if(c!=1&&!n)return 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b,c,d,e,f,g,h,i,j,k,l,m;if(a.v)return;a.v=new s1.ki;k=0;l=iM(m1.DN,k2,5,a.P.d,15,1);g=iM(m1.DN,k2,5,a.P.d,15,1);i=iM(m1.DN,k2,5,a.P.e,15,1);for(b=0;b<a.P.d;b++){if(l[b]==0&&(r1.Un(a.P,b)||r1.Hm(a.P,b)==1)){g[0]=b;h=1;j=0;l[b]=++k;c=iM(m1.UQ,E2,5,a.P.e,16,1);for(f=0;f<h;f++){for(m=0;m<r1.Rm(a.P,g[f]);m++){e=r1.Sm(a.P,g[f],m);if(r1.Vn(a.P,e)||r1.ak(a.P,e)==2||r1.Jn(a.P,e)){d=r1.Qm(a.P,g[f],m);if(!c[e]){i[j++]=e;c[e]=true}if(l[d]==0){g[h++]=d;l[d]=k}}}}s1.Sh(a.v,new r1.jg(g,h,i,j))}}};r1.Fe=function Fe(a){var b;a.Q=iM(m1.UQ,E2,5,a.P.d,16,1);for(b=0;b<a.P.d;b++){if(r1.Pj(a.P,b)==7){if(r1.Rm(a.P,b)==4){a.Q[b]=true;continue}if(r1.Rm(a.P,b)==3){if(r1.Lm(a.P,b)==3){a.Q[b]=true;continue}if(r1.yj(a.P,b)==1){a.Q[b]=true;continue}if(r1.On(a.P,b,true))continue;if((a.O&32)!=0){a.Q[b]=true;continue}if(r1.Tn(a.P,b)){a.Q[b]=true;continue}}}}};r1.Ge=function Ge(a,b){var c,d,e,f;e=false;for(d=0;d<a.P.e;d++)if(r1.ve(a,d,1)){a.o[d]=a.J;b&&r1.Ve(a,d);e=true}f=false;for(c=0;c<a.P.d;c++)if(r1.Ae(a,c,1)){a.gb[c]=a.J;b&&r1.We(a,c);f=true}f&&(a.J=!a.J);return e||f};r1.He=function He(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B;s=iM(m1.UQ,E2,5,a.P.d,16,1);t=iM(m1.UQ,E2,5,a.P.e,16,1);b=0;v=false;if((a.O&128)!=0){a.W=iM(m1.DN,k2,5,a.P.d,15,1);a.V=iM(m1.DN,k2,5,a.P.e,15,1)}for(d=0;d<a.P.d;d++){if(a.U[d]){if(!a.db[d]){if(r1.Ae(a,d,1)){a.db[d]=true;s[d]=true;++b}}}}for(f=0;f<a.P.e;f++){if(a.T[f]){if(!a.n[f]){if(r1.ve(a,f,1)){a.n[f]=true;t[f]=true;++b}}}}if(b==1){for(c=0;c<a.P.d;c++){if(s[c]){a.bb[c]=0;break}}for(e=0;e<a.P.e;e++){if(t[e]){a.k[e]=0;break}}}else if(b>1){r1.Ee(a);a.R=0;for(h=new s1.HZ(a.v);h.a<h.c.a.length;){g=s1.GZ(h);u=0;w=0;k=0;j=0;l=-1;i=-1;for(o=0;o<g.a.length;o++){if(s[g.a[o]]){++u;if(a.bb[g.a[o]]==1||a.bb[g.a[o]]==2){++w;v=true;if(l<a.d[g.a[o]]){l=a.d[g.a[o]];k=g.a[o]}}}}for(p=0;p<g.b.length;p++){if(t[g.b[p]]){++u;A=a.d[r1.Uj(a.P,0,g.b[p])];B=a.d[r1.Uj(a.P,1,g.b[p])];m=A>B?(A<<16)+B:(B<<16)+A;if(a.k[g.b[p]]==1||a.k[g.b[p]]==2){++w;v=true;if(i<m){i=m;j=g.b[p]}}}}if(u==0)continue;if(u==1){for(q=0;q<g.a.length;q++)s[g.a[q]]&&(a.bb[g.a[q]]=0);for(n=0;n<g.b.length;n++)t[g.b[n]]&&(a.k[g.b[n]]=0)}else{if(w==1){for(q=0;q<g.a.length;q++)s[g.a[q]]&&(a.bb[g.a[q]]=3);for(n=0;n<g.b.length;n++)t[g.b[n]]&&(a.k[g.b[n]]=3)}else{if((a.O&128)!=0){++a.R;for(q=0;q<g.a.length;q++)s[g.a[q]]&&(a.W[g.a[q]]=a.R);for(n=0;n<g.b.length;n++)t[g.b[n]]&&(a.V[g.b[n]]=a.R)}r=false;l!=-1?a.bb[k]==2&&(r=true):a.k[j]==2&&(r=true);if(r){for(q=0;q<g.a.length;q++){if(s[g.a[q]]){switch(a.bb[g.a[q]]){case 1:a.bb[g.a[q]]=2;break;case 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gf(a,b,c,d,e,f,g){var h,i,j;h=c==-1?(g[b].a-g[a.w[0]].a)/8:g[b].a-g[c].a;i=c==-1?(g[b].b-g[a.w[0]].b)/8:g[b].b-g[c].b;r1.cf(a,lR(yN((d+h)/e)),f);r1.cf(a,lR(yN((d+i)/e)),f);if(a.hb){j=c==-1?(g[b].c-g[a.w[0]].c)/8:g[b].c-g[c].c;r1.cf(a,lR(yN((d+j)/e)),f)}};r1.hf=function hf(a,b){var c;for(c=0;c<a.u;c++)b-=16;b<0&&(n1.lV(),String.fromCharCode(10));while(b>15){r1.cf(a,1,1);r1.cf(a,15,4);b-=16;++a.u}r1.cf(a,1,1);r1.cf(a,m1.hR(b),4)};r1.jf=function jf(a){var b,c,d,e,f,g;if(a.P.d==0){a.L='';return}f=0;d=false;e=false;for(c=0;c<a.P.d;c++){f<r1.Hj(a.P,c)&&(f=r1.Hj(a.P,c));r1.vk(a.P,c)?(d=true):(e=true)}if(f==0){a.L='';return}g=r1.Pf(f);r1.ef(a,true);r1.cf(a,m1.hR(g),4);r1.cf(a,m1.hR(d?1:0),1);r1.cf(a,m1.hR(e?1:0),1);for(b=0;b<a.P.d;b++){r1.cf(a,lR(r1.Hj(a.P,a.w[b])),g);d&&e&&r1.cf(a,lR(r1.vk(a.P,a.w[b])?1:0),1)}a.L=r1.df(a)};r1.kf=function kf(a,b){var c,d,e,f;c=b/2|0;e=a<0;a=$wnd.Math.abs(a);f=b/32|0;d=$wnd.Math.min(c-1,DR(kR($wnd.Math.round(a*c/(a+f)))));return e?c+d:d};
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b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;if(a.P.d==0)return;if(a.D)return;a.G=0;v=0;for(c=1;c<a.P.d;c++)a.d[c]>a.d[v]&&(v=c);d=iM(m1.UQ,E2,5,a.P.d,16,1);g=iM(m1.UQ,E2,5,a.P.e,16,1);a.F=iM(m1.DN,k2,5,a.P.d,15,1);a.w=iM(m1.DN,k2,5,a.P.d,15,1);a.C=iM(m1.DN,k2,5,a.P.d,15,1);a.A=iM(m1.DN,k2,5,a.P.e,15,1);a.w[0]=v;a.F[v]=0;d[v]=true;e=1;i=0;j=1;k=0;while(i<a.P.d){if(i<j){while(true){o=0;p=0;m=-1;b=a.w[i];for(q=0;q<r1.Dm(a.P,b);q++){if(q<r1.Rm(a.P,b)||q>=r1.Cm(a.P,b)){h=r1.Qm(a.P,b,q);if(!d[h]&&a.d[h]>m){o=h;p=r1.Sm(a.P,b,q);m=a.d[h]}}}if(m==-1)break;a.F[o]=j;a.C[j]=i;a.w[j++]=o;a.A[k++]=p;d[o]=true;g[p]=true}++i}else{n=0;m=-1;for(b=0;b<a.P.d;b++){if(!d[b]&&a.d[b]>m){n=b;m=a.d[b]}}++e;a.F[n]=j;a.C[j]=-1;a.w[j++]=n;d[n]=true}}a.B=iM(m1.DN,k2,5,2*(a.P.e-k),15,1);while(true){s=a.P.K;t=a.P.K;u=-1;for(f=0;f<a.P.e;f++){if(!g[f]){if(a.F[r1.Uj(a.P,0,f)]<a.F[r1.Uj(a.P,1,f)]){r=a.F[r1.Uj(a.P,0,f)];l=a.F[r1.Uj(a.P,1,f)]}else{r=a.F[r1.Uj(a.P,1,f)];l=a.F[r1.Uj(a.P,0,f)]}if(r<s||r==s&&l<t){s=r;t=l;u=f}}}if(u==-1)break;g[u]=true;a.A[k++]=u;a.B[2*a.G]=s;a.B[2*a.G+1]=t;++a.G}a.D=true};r1.nf=function 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b,c,d;d=false;for(b=0;b<a.o;b++){if(a.A[b]==-1){d=true;r1.Wk(a,a.u[b])}}for(c=0;c<a.p;c++){if(a.F[c]==512){d=true}else if(a.A[a.B[0][c]]==-1||a.A[a.B[1][c]]==-1){a.F[c]=512;d=true}}if(d){a.R=0;return r1.hj(a)}return null};r1.tj=function tj(a){var b,c;c=false;for(b=0;b<a.o;b++){if((a.s[b]&512)!=0){a.A[b]=-1;c=true}}return c&&r1.sj(a)!=null};r1.uj=function uj(a,b,c){var d,e,f,g,h,i,j,k;g=-1;e=r1.Rj(a,a.o,a.p,r1.Qi);h=S3;i=e*e/12;for(d=0;d<a.o;d++){j=a.H[d].a;k=a.H[d].b;f=(b-j)*(b-j)+(c-k)*(c-k);if(f<i&&f<h){h=f;g=d}}return g};r1.vj=function vj(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;m=-1;o=r1.Rj(a,a.o,a.p,r1.Qi);n=S3;for(d=0;d<a.p;d++){p=a.H[a.B[0][d]].a;r=a.H[a.B[0][d]].b;q=a.H[a.B[1][d]].a;s=a.H[a.B[1][d]].b;k=q-p;l=s-r;e=$wnd.Math.sqrt(k*k+l*l);f=(p+q)/2;g=(r+s)/2;k=b-f;l=c-g;if($wnd.Math.sqrt(k*k+l*l)>e/2)continue;if(q==p)j=$wnd.Math.abs(p-b);else{h=(s-r)/(p-q);i=-h*p-r;j=$wnd.Math.abs((h*b+c+i)/$wnd.Math.sqrt(h*h+1))}if(j<o&&j<n){n=j;m=d}}return m};r1.wj=function wj(a,b){return 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a.H[b].a};r1.Nj=function Nj(a,b){return a.H[b].b};r1.Oj=function Oj(a,b){return a.H[b].c};r1.Pj=function Pj(a,b){return a.A[b]};r1.Qj=function Qj(a){return r1.Rj(a,a.o,a.p,r1.Qi)};r1.Rj=function Rj(a,b,c,d){return r1.Sj(a,b,c,d,a.H)};r1.Sj=function Sj(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o;l=false;m=0;for(j=0;j<c;j++)a.F[j]!=32&&(a.D[j]&q3)==0&&++m;if(m==0){for(k=0;k<c;k++)(a.D[k]&q3)==0&&++m;l=true}if(m==0){if(b<2)return d;o=S3;for(f=1;f<b;f++){for(g=0;g<f;g++){n=r1.Tg(e[f],e[g]);n>0&&n<o&&(o=n)}}return o!=S3?0.6*o:d}h=0;for(i=0;i<c;i++){(l||a.F[i]!=32)&&(a.D[i]&q3)==0&&(h+=r1.Tg(e[a.B[1][i]],e[a.B[0][i]]))}return h/m};r1.Tj=function Tj(a,b,c){return r1.fm(a.H[b].a,a.H[b].b,a.H[c].a,a.H[c].b)};r1.Uj=function Uj(a,b,c){return a.B[b][c]};r1.Vj=function Vj(a,b){return ((a.D[b]&7680)>>9)+((a.D[b]&122880)>>13)};r1.Wj=function Wj(a,b){return (a.D[b]&7680)>>9};r1.Xj=function Xj(a,b){return (a.C[b]&48)>>4};r1.Yj=function Yj(a,b){return 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null;d=a.H[0].a;f=a.H[0].b;e=a.H[0].a;g=a.H[0].b;for(c=1;c<a.o;c++){d>a.H[c].a?(d=a.H[c].a):e<a.H[c].a&&(e=a.H[c].a);f>a.H[c].b?(f=a.H[c].b):g<a.H[c].b&&(g=a.H[c].b)}if(!b){b=new y1.fx(d,f,e-d,g-f)}else{b.c=d;b.d=f;b.b=e-d;b.a=g-f}return b};r1.gk=function gk(a,b){var c;c=a.A[b]<r1.Mi.length?r1.Mi[a.A[b]]:null;return c==null?6:c[c.length-1]};r1.hk=function hk(a,b,c){return r1.ik(a,b,c,a.A[b])};r1.ik=function ik(a,b,c,d){var e,f;if(d>=171&&d<=190)return 0;f=0;(a.s[b]&48)==32&&(f-=1);((a.s[b]&48)==16||(a.s[b]&48)==48)&&(f-=2);e=a.q[b];if(e==0&&a.I){jR(_Q(a.w[b],S2),V2)&&(e=-1);jR(_Q(a.w[b],S2),U2)&&(e=1)}d==7||d==8||d==9?(f+=e):d==6||d==14||d==32?(f-=$wnd.Math.abs(e)):d==15||d==33?c-f-e<=3?(f+=e):(f-=e):d==16||d==34||d==52?c-f-e<=4?(f+=e):(f-=$wnd.Math.abs(e)):d==17||d==35||d==53?c-f-e<=5?(f+=e):(f-=$wnd.Math.abs(e)):(f-=e);return f};r1.jk=function jk(a,b){var c;c=r1.kk(a,b);return c+r1.ik(a,b,c,a.A[b])};r1.kk=function kk(a,b){var c,d;c=((a.s[b]&P3)>>>27)-1;c==-1&&(c=(d=a.A[b]<r1.Mi.length?r1.Mi[a.A[b]]:null,d==null?6:d[d.length-1]));return c};r1.lk=function lk(a,b){var c,d,e,f,g;f=r1.Nk(a,a.B[0][b])||r1.Nk(a,a.B[1][b])?5:3;for(d=0;d<2;d++){c=a.B[d][b];e=r1.ak(a,b)+(g=r1.kk(a,c),g+r1.ik(a,c,g,a.A[c]))-r1.kn(a,c);f>e&&(f=e)}return f};r1.mk=function mk(a,b){return (a.s[b]&b2)!=0};r1.nk=function nk(a,b){var c,d,e;d=r1.lk(a,b);c=r1.Fk(a,a.B[0][b])||r1.Fk(a,a.B[1][b]);e=c?32:1;if(a.F[b]==16){a.F[b]=e;a.R=0;return true}if(a.F[b]==8){a.F[b]=d>4?16:e;a.R=0;return true}if(a.F[b]==4){a.F[b]=d>3?8:e;a.R=0;return true}if(a.F[b]==2){a.F[b]=386;a.R&=7;if((a.C[b]&128)==0)return true}if(a.F[b]==386){d>2?(a.F[b]=4):(a.F[b]=e);a.R=0;return true}if((384&a.F[b])!=0){a.F[b]=1;a.R&=7;return true}if(!c&&d<2)return false;if(a.F[b]==1){a.F[b]=2;a.R=0;return true}if(d<1)return false;if(a.F[b]==32){a.F[b]=1;a.R=0;return true}return false};r1.ok=function ok(a){var b;a.R=0;a.A=iM(m1.DN,k2,5,a.K,15,1);a.q=iM(m1.DN,k2,5,a.K,15,1);a.u=iM(m1.DN,k2,5,a.K,15,1);a.H=iM(m1.VN,T3,36,a.K,0,1);for(b=0;b<a.K;b++)a.H[b]=new r1.Xg;a.v=iM(m1.DN,k2,5,a.K,15,1);a.s=iM(m1.DN,k2,5,a.K,15,1);a.w=iM(m1.EN,E3,5,a.K,14,1);a.t=null;a.r=null;a.B=gM(m1.DN,[C3,k2],[6,5],15,[2,a.L],2);a.F=iM(m1.DN,k2,5,a.L,15,1);a.C=iM(m1.DN,k2,5,a.L,15,1);a.D=iM(m1.DN,k2,5,a.L,15,1)};r1.pk=function pk(a,b){a.R&=~b};r1.qk=function qk(a){var b;for(b=0;b<a.o;b++)if(a.H[b].c!=0)return true;return false};r1.rk=function rk(a,b){return (a.s[b]&U3)!=0};r1.sk=function sk(a,b){return a.A[b]==-1};r1.tk=function tk(a,b){return (a.s[b]&4)!=0};r1.uk=function uk(a,b){return (a.s[b]&V3)!=0};r1.vk=function vk(a,b){return a.u[b]<0};r1.wk=function wk(a,b){return (a.C[b]&W3)!=0};r1.xk=function xk(a,b){return (a.D[b]&q3)!=0};r1.yk=function yk(a,b){return (a.C[b]&b2)!=0};r1.zk=function zk(a,b){return a.F[b]==512};r1.Ak=function Ak(a,b){return (a.C[b]&4)!=0};r1.Bk=function Bk(a,b){return 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b,c,d,e,f,g,h,i,j,k,l,m;a.g=iM(m1.DN,k2,5,a.o,15,1);a.c=iM(m1.DN,k2,5,a.o,15,1);a.f=iM(m1.DN,C3,6,a.o,0,2);a.i=iM(m1.DN,C3,6,a.o,0,2);a.j=iM(m1.DN,C3,6,a.o,0,2);a.k=iM(m1.DN,k2,5,a.d,15,1);j=iM(m1.DN,k2,5,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]=iM(m1.DN,k2,5,j[d],15,1);a.i[d]=iM(m1.DN,k2,5,j[d],15,1);a.j[d]=iM(m1.DN,k2,5,j[d],15,1)}l=false;for(h=0;h<a.e;h++){m=r1.ak(a,h);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][h];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][h];a.i[c][b]=h;++a.c[c];++a.g[c];c<a.d&&(m>1?(a.k[c]+=m-1):a.F[h]==64&&(a.k[c]=1))}}for(i=a.e;i<a.p;i++){m=r1.ak(a,i);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][i];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][i];a.i[c][b]=i;++a.c[c];a.B[1-k][i]<a.d&&++a.g[c]}}if(l){b=iM(m1.DN,k2,5,a.o,15,1);for(e=0;e<a.o;e++)b[e]=a.c[e];for(f=0;f<a.p;f++){m=r1.ak(a,f);if(m==0){for(k=0;k<2;k++){c=a.B[k][f];a.j[c][b[c]]=m;a.f[c][b[c]]=a.B[1-k][f];a.i[c][b[c]]=f;++b[c]}}}}};r1.qm=function qm(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;r1.Ys(a,1);c&&(b=true);for(i=0;i<a.p;i++){j=r1.ak(a,i);if(j==1||j==2){if(a.q[a.B[0][i]]>0&&a.q[a.B[1][i]]<0){f=a.B[0][i];g=a.B[1][i]}else if(a.q[a.B[0][i]]<0&&a.q[a.B[1][i]]>0){f=a.B[1][i];g=a.B[0][i]}else continue;if(r1.Fk(a,f)||r1.Fk(a,g))continue;if(a.A[f]<9&&r1.kn(a,f)>3||a.A[g]<9&&r1.kn(a,g)>3)continue;l=r1.dn(a,f)!=0;a.q[f]-=1;a.q[g]+=1;if(!l){s=a.F[i];j==1?(a.F[i]=2):(a.F[i]=4);if(s==129||s==257){w=a.B[0][i];r=r1.co(a,w,false);if(a.B[0][r]!=w){a.B[1][r]=a.B[0][r];a.B[1][r]=w}}}a.R=0}}t=0;p=0;n=0;for(e=0;e<a.o;e++){t+=a.q[e];if(a.q[e]<0&&!r1.Dn(a,e)){++p;r1.Ck(a,e)&&(n-=a.q[e])}}if(!b&&t!=0)throw ZQ(new n1.iK("molecule's overall charges are not balanced"));r1.Ys(a,1);u=0;v=c?t+n:n;for(h=0;h<a.o;h++){if(a.q[h]>0){if(!r1.Cn(a,h)&&r1.Ck(a,h)){k=$wnd.Math.min(r1.dn(a,h),a.q[h]);if(k!=0&&v>=k){t-=k;u-=k;v-=k;a.q[h]-=k;a.R&=1}}}}q=c?t:u;if(q<0){o=iM(m1.DN,k2,5,p,15,1);p=0;for(f=0;f<a.o;f++){a.q[f]<0&&!r1.Dn(a,f)&&(o[p++]=(a.A[f]<<22)+f)}q1.G0(o,q1.h1(SR(s1.k$.prototype.bc,s1.k$,[])));for(m=o.length-1;q<0&&m>=o.length-p;m--){d=o[m]&$3;if(r1.Ck(a,d)){k=$wnd.Math.min(-q,-a.q[d]);t+=k;q+=k;a.q[d]+=k;a.R&=1}}}return t};r1.rm=function rm(a){var b,c,d,e,f,g,h,i,j,k,l,m,n;if(!a.I)return false;for(c=0;c<a.o;c++){n=r1.kk(a,c);n+r1.ik(a,c,n,a.A[c])-r1.kn(a,c)<=0&&!(a.q[c]==0&&(a.A[c]==5||(e=a.A[c],e==7||e==15||e==33)||(d=a.A[c],d==8||d==16||d==34||d==52)))&&(a.w[c]=_Q(a.w[c],-6145))}g=false;for(b=0;b<a.d;b++){h=a.c[b]-a.g[b];if(!a.Q&&h>0){if(jR(_Q(a.w[b],n3),0)){k=jR(_Q(a.w[b],Q2),896)?3:jR(_Q(a.w[b],Q2),384)?2:jR(_Q(a.w[b],128),128)?1:0;i=(n=r1.kk(a,b),n+r1.ik(a,b,n,a.A[b])-r1.kn(a,b));a.q[b]==0&&jR(_Q(a.w[b],S2),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:xR(_Q(a.w[b],Q2),l);m=wR(m,m1.hR((l==3?7:h==2?3:1)<<7));a.w[b]=_Q(a.w[b],-1921);a.w[b]=wR(a.w[b],_Q(Q2,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&&r1.hj(a);return g};r1.sm=function sm(a,b){var c,d,e,f;if(a.k[b]==2&&a.g[b]==2&&a.j[b][0]==2){for(e=0;e<2;e++){c=r1.xm(a,b,a.f[b][e]);if(c!=-1){for(f=0;f<a.g[c];f++){d=a.i[c][f];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==c&&(a.F[a.i[c][f]]=1)}}}return}if(a.k[b]==0||a.A[b]>=15){for(e=0;e<a.c[b];e++){d=a.i[b][e];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==b&&a.B[0][d]==b&&(a.F[d]=1)}}};r1.tm=function tm(a,b,c,d,e){var f,g,h,i,j,k,l,m;r1.Ys(a,d?7:1);b.t=null;a.I&&r1.Hl(b,true);i=c.length;e==null&&(e=iM(m1.DN,k2,5,i,15,1));b.o=0;for(f=0;f<i;f++){if(c[f]){e[f]=r1.ij(a,b,f,0,0);if(a.A[f]==1){m=r1.kn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.f[f][l]]){r1.al(b,e[f],m);break}}}}}else{e[f]=-1}}k=iM(m1.DN,k2,5,a.p,15,1);s1.UZ(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]=r1.jj(a,b,j,0,0,e==null?a.B[0][j]:e[a.B[0][j]],e==null?a.B[1][j]:e[a.B[1][j]],d);else if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){c[g]&&(b.q[e[g]]+=a.q[g]<0?1:-1);c[h]&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}r1.mj(a,b);!!a.b&&(b.R=0);b.R=0;r1.Yk(b,1);r1.Yk(b,2);b.o!=i&&r1.Hl(b,true);r1.go(a,b,i,e,k);r1.fo(a,b,i,e);d&&r1._d(new r1.je(b),null,false)};r1.um=function um(a,b,c,d,e){var f,g,h,i,j,k,l,m;r1.Ys(a,d?7:1);b.t=null;a.I&&r1.Hl(b,true);e==null&&(e=iM(m1.DN,k2,5,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]=r1.ij(a,b,f,0,0);if(a.A[f]==1){m=r1.kn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.i[f][l]]){r1.al(b,e[f],m);break}}}}break}}}j=iM(m1.DN,k2,5,a.p,15,1);b.p=0;for(i=0;i<a.p;i++)if(c[i]){j[i]=r1.jj(a,b,i,0,0,e==null?a.B[0][i]:e[a.B[0][i]],e==null?a.B[1][i]:e[a.B[1][i]],d)}else{j[i]=-1;g=a.B[0][i];h=a.B[1][i];if(e[g]==-1^e[h]==-1){if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){e[g]!=-1&&(b.q[e[g]]+=a.q[g]<0?1:-1);e[h]!=-1&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}r1.mj(a,b);!!a.b&&(b.R=0);b.R=0;r1.Yk(b,1);r1.Yk(b,2);b.o!=a.o&&r1.Hl(b,true);r1.go(a,b,a.o,e,j);r1.fo(a,b,a.o,e);d&&r1._d(new r1.je(b),null,false);return e};r1.vm=function vm(a,b){var c,d,e,f,g,h,i,j,k,l;if((b&~a.R)==0)return;if((a.R&1)==0){r1.Bn(a);r1.pm(a);a.R|=1;if(r1.rm(a)){r1.Bn(a);r1.pm(a)}}if((b&~a.R)==0)return;if((a.R&-7)!=0){for(d=0;d<a.d;d++)a.s[d]&=-15369;for(f=0;f<a.e;f++)a.C[f]&=-705;if((b&4)==0){r1.Am(a,1);a.R|=2;return}r1.Am(a,7);for(e=0;e<a.d;e++){for(k=0;k<a.g[e];k++){i=a.i[e][k];if(i<a.e&&r1.Hq(a.n,i))continue;h=a.f[e][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]==i)continue;a.j[h][l]>1&&(a.A[a.f[h][l]]==6?(a.s[e]|=M2):!r1.In(a,a.i[h][l])&&r1.Ck(a,a.f[h][l])&&(a.s[e]|=m3))}}}while(true){j=false;for(c=0;c<a.d;c++){if(a.k[c]>0&&(a.s[c]&m3)!=0&&!r1.Gq(a.n,c)){for(k=0;k<a.g[c];k++){if(a.j[c][k]>1){h=a.f[c][k];i=a.i[c][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]!=i){g=a.f[h][l];if((a.s[g]&m3)==0){a.s[g]|=m3;j=true}}}}}}}if(!j)break}}a.R|=6};r1.wm=function wm(a,b){var c,d,e,f,g;c=-1;if(a.k[b]==1){for(f=0;f<a.g[b];f++){if(a.j[b][f]==2){d=a.f[b][f];if(a.g[d]==2&&a.k[d]==2){for(g=0;g<2;g++){e=a.f[d][g];if(e!=b&&a.k[e]==1){c=d;break}}}break}}}return c};r1.xm=function xm(a,b,c){var d,e;d=b;while(a.g[c]==2&&a.k[c]==2&&c!=d){e=c;c=a.f[c][0]==b?a.f[c][1]:a.f[c][0];b=e}return c==d?-1:c};r1.ym=function ym(a,b){var c;if(a.g[b]==3&&b<a.d&&r1.Gq(a.n,b)&&(!!a.n&&b<a.d?r1.vq(a.n,b):0)>=5)for(c=0;c<a.g[b];c++)if(r1.Jn(a,a.i[b][c]))return a.i[b][c];return -1};r1.zm=function zm(a,b,c,d,e){var f,g,h,i,j,k;r1.Ys(a,7);if((a.s[b]&_3)==0||c&&!(b<a.d&&r1.Gq(a.n,b)))return;i=iM(m1.DN,k2,5,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&&r1.Hq(a.n,g))){e[g]=true;f=a.f[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};r1.Am=function Am(a,b){var c,d,e,f,g,h,i,j;a.n=new r1.Uq(a,b);d=iM(m1.DN,k2,5,a.d,15,1);for(e=0;e<a.e;e++){if(r1.xq(a.n,e)!=0){a.C[e]|=64;++d[a.B[0][e]];++d[a.B[1][e]]}}for(c=0;c<a.d;c++){d[c]==2?(a.s[c]|=R2):d[c]==3?(a.s[c]|=n3):d[c]>3&&(a.s[c]|=_3)}for(j=0;j<a.n.i.a.length;j++){g=r1.zq(a.n,j);i=r1.Aq(a.n,j);h=g.length;for(f=0;f<h;f++){a.s[g[f]]|=8;a.C[i[f]]|=128;a.F[i[f]]==386&&(a.F[i[f]]=2)}}};r1.Bm=function Bm(a){var b,c,d,e,f,g,h,i;h=iM(m1.UQ,E2,5,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]&P3)==0&&(a.r==null||a.r[c]==null);i=iM(m1.UQ,E2,5,a.o,16,1);for(g=0;g<a.p;g++){d=a.B[0][g];e=a.B[1][g];if(r1.ak(a,g)!=1){h[d]=false;h[e]=false;continue}i[d]&&(h[d]=false);i[e]&&(h[e]=false);h[d]&&r1.Fk(a,e)&&a.A[e]!=13&&(h[d]=false);h[e]&&r1.Fk(a,d)&&a.A[d]!=13&&(h[e]=false);i[d]=true;i[e]=true}for(f=0;f<a.p;f++){if(h[a.B[0][f]]&&h[a.B[1][f]]){h[a.B[0][f]]=false;h[a.B[1][f]]=false}}for(b=0;b<a.o;b++)i[b]||(h[b]=false);return h};r1.Cm=function Cm(a,b){return a.c[b]};r1.Dm=function Dm(a,b){return 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;r1.sm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){r1.ho(a,b);return}if(a.g[b]<3||a.g[b]>4){r1.nl(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(r1.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=r1.vn(a,b);d=iM(m1.BN,o3,5,c,15,1);for(h=0;h<c;h++)d[h]=r1.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&r1.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?r1.vq(a.n,b):0)<=24&&r1.io(a,b,p,d))return;m=r1.co(a,b,true);if(m==-1)return;if(a.B[0][m]!=b){a.B[1][m]=a.B[0][m];a.B[0][m]=b}n=-1;for(j=0;j<c;j++){if(m==a.i[b][p[j]]){n=j;break}}q=qM(cM(m1.DN,2),C3,6,0,[qM(cM(m1.DN,1),k2,5,15,[2,1,2,1]),qM(cM(m1.DN,1),k2,5,15,[1,2,2,1]),qM(cM(m1.DN,1),k2,5,15,[1,1,2,2]),qM(cM(m1.DN,1),k2,5,15,[2,1,1,2]),qM(cM(m1.DN,1),k2,5,15,[2,2,1,1]),qM(cM(m1.DN,1),k2,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=I2);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<J2||d[1]>d[2]&&d[1]-d[2]>J2;break;case 1:k=d[2]-d[0]>J2;break;case 2:k=d[1]-d[0]<J2;}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};r1.lo=function lo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if((a.C[b]&3)==0||(a.C[b]&3)==3||!r1.Jn(a,b))return;v=-1;t=-1;u=-1;s=-1;e=0;for(l=0;l<2;l++){d=a.B[l][b];for(o=0;o<a.c[d];o++){h=a.i[d][o];if(h!=b&&r1.ak(a,h)==1){g=a.f[d][o];w=r1.xn(a,h,g);if(e<w){e=w;t=g;v=h;u=d;s=a.B[1-l][b]}}}}if(t==-1)return;for(m=0;m<2;m++){for(o=0;o<a.c[a.B[m][b]];o++){h=a.i[a.B[m][b]][o];h!=b&&r1.ak(a,h)==1&&(a.F[h]=1)}}if(a.B[1][v]!=t){a.B[0][v]=a.B[1][v];a.B[1][v]=t}i=V1;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=iM(m1.DN,k2,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=r1.fm(a.H[u].a,a.H[u].b,a.H[s].a,a.H[s].b);c=0;if(r==2){if(q[0]>q[1]){A=q[0];q[0]=q[1];q[1]=A}j=r1.gm(f,r1.Tj(a,s,q[0]));p=r1.gm(f,r1.Tj(a,s,q[1]));c=j-p}else{c=r1.gm(f,r1.Tj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};r1.mo=function mo(a){var b,c,d,e;r1.Ys(a,7);for(d=0;d<a.e;d++)(a.F[d]==257||a.F[d]==129)&&(a.F[d]=1);for(b=0;b<a.d;b++)r1.ko(a,b);for(e=0;e<a.e;e++)r1.lo(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};r1.no=function no(b,c){var d,e,f,g,h,i,j,k,l,m;i=iM(m1.DN,k2,5,b.o,15,1);h=r1.$m(b,i,false,c);if(h<=1)return null;j=iM(m1.DN,k2,5,h,15,1);for(e=0;e<b.d;e++)++j[i[e]];l=0;m=j[0];for(k=1;k<h;k++){if(m<j[k]){m=j[k];l=k}}for(d=0;d<b.o;d++)i[d]!=l&&(b.A[d]=-1);for(g=0;g<b.p;g++)(!c&&b.F[g]==32||i[b.B[0][g]]!=l)&&(b.F[g]=512);f=r1.hj(b);b.R=0;try{r1.qm(b,true,true)}catch(a){a=YQ(a);if(!pN(a,13))throw ZQ(a)}return f};r1.oo=function oo(a,b){if((a.s[b]&P3)!=0)return true;if(a.A[b]==1)return false;return r1.Hk(a,b)||a.A[b]==13||a.A[b]>=171};r1.po=function po(a){var b,c,d,e,f,g,h,i,j,k;f=r1.Rj(a,a.o,a.p,r1.Qi);g=f*f/16;for(d=1;d<a.o;d++){for(e=0;e<d;e++){i=a.H[e].a-a.H[d].a;j=a.H[e].b-a.H[d].b;k=a.H[e].c-a.H[d].c;if(i*i+j*j+k*k<g)throw ZQ(new n1.iK('The distance between two atoms is too close.'))}}r1.Ys(a,1);b=0;for(c=0;c<a.d;c++){if(r1.kn(a,c)>(h=r1.kk(a,c),h+r1.ik(a,c,h,a.A[c])))throw ZQ(new n1.iK('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw ZQ(new n1.iK('unbalanced atom charge'))};r1.qo=function qo(a){var b,c;if(!a.I)return;r1.Ys(a,7);for(b=0;b<a.d;b++){if((a.s[b]&_3)!=0){jR(_Q(a.w[b],120),8)&&(a.w[b]=_Q(a.w[b],-9));a.w[b]=_Q(a.w[b],-4294967297)}b<a.d&&r1.Gq(a.n,b)?(a.w[b]=_Q(a.w[b],{l:4194297,m:$3,h:1048571})):uR(_Q(a.w[b],2),0)&&(a.w[b]=_Q(a.w[b],-5));(uR(_Q(a.w[b],k3),0)||uR(_Q(a.w[b],o2),0)&&jR(_Q(a.w[b],p2),0))&&jR(_Q(a.w[b],120),8)&&(a.w[b]=_Q(a.w[b],-9));a.q[b]!=0&&(a.w[b]=_Q(a.w[b],-234881025));if(r1.kn(a,b)==(c=r1.kk(a,b),c+r1.ik(a,b,c,a.A[b]))){a.w[b]=_Q(a.w[b],-4063233);a.w[b]=_Q(a.w[b],-17042430230529);a.w[b]=_Q(a.w[b],-1921);a.w[b]=_Q(a.w[b],-114689)}}};r1.ro=function ro(a){var b,c;if(!a.I)return;r1.Ys(a,7);for(b=0;b<a.e;b++){b<a.e&&(r1.Lq(a.n,b)||a.F[b]==64)&&(a.D[b]&=-9);c=a.F[b]&127;c==1?(a.D[b]&=-2):c==2?(a.D[b]&=-3):c==4?(a.D[b]&=-5):c==8?(a.D[b]&=-33):c==16?(a.D[b]&=-65):c==32?(a.D[b]&=-17):c==64&&(a.D[b]&=-9)}};r1.so=function so(a,b,c){var d;d=r1.Vl(a,b,c);if(d&&c==386){r1.Ys(a,7);d=d&(a.C[b]&128)==0}return d};r1.to=function to(){r1.Yl.call(this)};r1.uo=function uo(a,b){r1.Zl.call(this,a,b)};r1.vo=function vo(a){r1.Zl.call(this,!a?256:a.K,!a?256:a.L);!!a&&r1.lj(a,this)};PR(71,63,{71:1,63:1,4:1});_.wb=function wo(a){r1.vm(this,a)};_.vb=function xo(a){return r1.Mn(this,a)};_.d=0;_.e=0;m1.$N=gT(71);r1.yo=function yo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};r1.zo=function zo(a,b){var c,d;c=b;d=0;while(b!=0){if(a.d==0){a.f=(a.c[++a.e]&63)<<11;a.d=6}d|=(b2&a.f)>>16-c+b;a.f<<=1;--b;--a.d}return d};r1.Ao=function Ao(a,b,c){a.d=6;a.e=c;a.c=b;a.f=(b[a.e]&63)<<11};r1.Bo=function Bo(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32|0;c=f*a/(d-a);return e?-c:c};r1.Co=function Co(a,b){var c;return b==null||q1.h1(b).length==0?null:r1.Eo(a,q1.N0((c=b,K1.GX(),c)),null)};r1.Do=function Do(a,b,c){var d,e;return b==null?null:r1.Eo(a,q1.N0((e=b,K1.GX(),e)),c==null?null:q1.N0((d=c,d)))};r1.Eo=function Eo(a,b,c){var d,e,f,g,h;r1.Ao(a,b,0);d=r1.zo(a,4);g=r1.zo(a,4);d>8&&(d=g);e=r1.zo(a,d);f=r1.zo(a,g);h=new r1.ot(e,f);r1.Fo(a,h,b,c,0);return h};r1.Fo=function Fo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,Vb,Wb,Xb,Yb,Zb,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac;r1.gj(c);c.b=null;if(0>=d.length)return;b.g=c;uc=8;e!=null&&(f<0||f>=e.length)&&(e=null);r1.Ao(b,d,0);i=r1.zo(b,4);B=r1.zo(b,4);if(i>8){uc=i;i=B}if(i==0){r1.Hl(b.g,r1.zo(b,1)==1);return}j=r1.zo(b,i);k=r1.zo(b,B);ic=r1.zo(b,i);mc=r1.zo(b,i);lc=r1.zo(b,i);O=r1.zo(b,i);for(o=0;o<j;o++)r1.Ti(b.g,6);for(kb=0;kb<ic;kb++)r1.vl(b.g,r1.zo(b,i),7);for(lb=0;lb<mc;lb++)r1.vl(b.g,r1.zo(b,i),8);for(wb=0;wb<lc;wb++)r1.vl(b.g,r1.zo(b,i),r1.zo(b,8));for(Hb=0;Hb<O;Hb++)r1.cl(b.g,r1.zo(b,i),r1.zo(b,4)-8);P=1+k-j;V=r1.zo(b,4);A=0;r1.sl(b.g,0,0);r1.tl(b.g,0,0);r1.ul(b.g,0,0);W=e!=null&&e[f]>=39;tc=0;wc=0;yc=0;Ac=0;R=false;S=false;if(W){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){S=true;R=e.length==3*j-3+9;_b=R?3*j-3:2*j-2;w=86*(e[_b+1]-40)+e[_b+2]-40;tc=$wnd.Math.pow(10,w/2000-1);_b+=2;vc=86*(e[_b+1]-40)+e[_b+2]-40;wc=$wnd.Math.pow(10,vc/1500-1);_b+=2;xc=86*(e[_b+1]-40)+e[_b+2]-40;yc=$wnd.Math.pow(10,xc/1500-1);if(R){_b+=2;zc=86*(e[_b+1]-40)+e[_b+2]-40;Ac=$wnd.Math.pow(10,zc/1500-1)}}else{R=e.length==3*j-3}}if(b.xb()&&R){e=null;W=false}for(Sb=1;Sb<j;Sb++){X=r1.zo(b,V);if(X==0){if(W){r1.sl(b.g,Sb,r1.Mj(b.g,0)+8*(e[Sb*2-2]-83));r1.tl(b.g,Sb,r1.Nj(b.g,0)+8*(e[Sb*2-1]-83));R&&r1.ul(b.g,Sb,r1.Oj(b.g,0)+8*(e[2*j-3+Sb]-83))}++P;continue}A+=X-1;if(W){r1.sl(b.g,Sb,r1.Mj(b.g,A)+e[Sb*2-2]-83);r1.tl(b.g,Sb,r1.Nj(b.g,A)+e[Sb*2-1]-83);R&&r1.ul(b.g,Sb,r1.Oj(b.g,A)+(e[2*j-3+Sb]-83))}r1.Vi(b.g,A,Sb,1)}for(Wb=0;Wb<P;Wb++)r1.Vi(b.g,r1.zo(b,i),r1.zo(b,i),1);ac=iM(m1.UQ,E2,5,k,16,1);for(I=0;I<k;I++){J=r1.zo(b,2);switch(J){case 0:ac[I]=true;break;case 2:r1.Fl(b.g,I,2);break;case 3:r1.Fl(b.g,I,4);}}h=r1.zo(b,i);for(Xb=0;Xb<h;Xb++){n=r1.zo(b,i);if(uc==8){nc=r1.zo(b,2);if(nc==3){r1.hl(b.g,n,1,0);r1.nl(b.g,n,1,false)}else{r1.nl(b.g,n,nc,false)}}else{nc=r1.zo(b,3);switch(nc){case 4:r1.nl(b.g,n,1,false);r1.hl(b.g,n,1,r1.zo(b,3));break;case 5:r1.nl(b.g,n,2,false);r1.hl(b.g,n,1,r1.zo(b,3));break;case 6:r1.nl(b.g,n,1,false);r1.hl(b.g,n,2,r1.zo(b,3));break;case 7:r1.nl(b.g,n,2,false);r1.hl(b.g,n,2,r1.zo(b,3));break;default:r1.nl(b.g,n,nc,false);}}}uc==8&&r1.zo(b,1)==0&&(b.g.J=true);g=r1.zo(b,B);for(Yb=0;Yb<g;Yb++){D=r1.zo(b,B);if(r1.dk(b.g,D)==1){nc=r1.zo(b,3);switch(nc){case 4:r1.Cl(b.g,D,1,false);r1.zl(b.g,D,1,r1.zo(b,3));break;case 5:r1.Cl(b.g,D,2,false);r1.zl(b.g,D,1,r1.zo(b,3));break;case 6:r1.Cl(b.g,D,1,false);r1.zl(b.g,D,2,r1.zo(b,3));break;case 7:r1.Cl(b.g,D,2,false);r1.zl(b.g,D,2,r1.zo(b,3));break;default:r1.Cl(b.g,D,nc,false);}}else{r1.Cl(b.g,D,r1.zo(b,2),false)}}r1.Hl(b.g,r1.zo(b,1)==1);m=null;kc=0;while(r1.zo(b,1)==1){U=kc+r1.zo(b,4);switch(U){case 0:jc=r1.zo(b,i);for(Zb=0;Zb<jc;Zb++){n=r1.zo(b,i);r1.ol(b.g,n,n3,true)}break;case 1:jc=r1.zo(b,i);for($b=0;$b<jc;$b++){n=r1.zo(b,i);gc=r1.zo(b,8);r1.ml(b.g,n,gc)}break;case 2:jc=r1.zo(b,B);for(mb=0;mb<jc;mb++){r1.zo(b,B)}break;case 3:jc=r1.zo(b,i);for(nb=0;nb<jc;nb++){n=r1.zo(b,i);r1.ol(b.g,n,M2,true)}break;case 4:jc=r1.zo(b,i);for(ob=0;ob<jc;ob++){n=r1.zo(b,i);rc=xR(lR(r1.zo(b,4)),3);r1.ol(b.g,n,rc,true)}break;case 5:jc=r1.zo(b,i);for(pb=0;pb<jc;pb++){n=r1.zo(b,i);l=xR(lR(r1.zo(b,2)),1);r1.ol(b.g,n,l,true)}break;case 6:jc=r1.zo(b,i);for(qb=0;qb<jc;qb++){n=r1.zo(b,i);r1.ol(b.g,n,1,true)}break;case 7:jc=r1.zo(b,i);for(rb=0;rb<jc;rb++){n=r1.zo(b,i);hb=xR(lR(r1.zo(b,4)),7);r1.ol(b.g,n,hb,true)}break;case 8:jc=r1.zo(b,i);for(sb=0;sb<jc;sb++){n=r1.zo(b,i);t=r1.zo(b,4);r=iM(m1.DN,k2,5,t,15,1);for(bc=0;bc<t;bc++){s=r1.zo(b,8);r[bc]=s}r1.il(b.g,n,r)}break;case 9:jc=r1.zo(b,B);for(tb=0;tb<jc;tb++){D=r1.zo(b,B);rc=r1.zo(b,2)<<7;r1.El(b.g,D,rc,true)}break;case 10:jc=r1.zo(b,B);for(ub=0;ub<jc;ub++){D=r1.zo(b,B);L=r1.zo(b,5);r1.El(b.g,D,L,true)}break;case 11:jc=r1.zo(b,i);for(vb=0;vb<jc;vb++){n=r1.zo(b,i);r1.ol(b.g,n,m3,true)}break;case 12:jc=r1.zo(b,B);for(xb=0;xb<jc;xb++){D=r1.zo(b,B);M=r1.zo(b,8)<<9;r1.El(b.g,D,M,true)}break;case 13:jc=r1.zo(b,i);for(yb=0;yb<jc;yb++){n=r1.zo(b,i);oc=xR(lR(r1.zo(b,3)),14);r1.ol(b.g,n,oc,true)}break;case 14:jc=r1.zo(b,i);for(zb=0;zb<jc;zb++){n=r1.zo(b,i);hc=xR(lR(r1.zo(b,5)),17);r1.ol(b.g,n,hc,true)}break;case 15:case 31:kc+=16;break;case 16:jc=r1.zo(b,i);for(Ab=0;Ab<jc;Ab++){n=r1.zo(b,i);qc=xR(lR(r1.zo(b,3)),22);r1.ol(b.g,n,qc,true)}break;case 17:jc=r1.zo(b,i);for(Bb=0;Bb<jc;Bb++){n=r1.zo(b,i);r1.al(b.g,n,r1.zo(b,4))}break;case 18:jc=r1.zo(b,i);fc=r1.zo(b,4);for(Cb=0;Cb<jc;Cb++){n=r1.zo(b,i);T=r1.zo(b,fc);cc=iM(m1.zN,F3,5,T,15,1);for(bc=0;bc<T;bc++)cc[bc]=r1.zo(b,7)<<24>>24;r1.fl(b.g,n,n1.BU((dc=cc,K1.GX(),dc)))}break;case 19:jc=r1.zo(b,i);for(Db=0;Db<jc;Db++){n=r1.zo(b,i);N=xR(lR(r1.zo(b,3)),25);r1.ol(b.g,n,N,true)}break;case 20:jc=r1.zo(b,B);for(Eb=0;Eb<jc;Eb++){D=r1.zo(b,B);qc=r1.zo(b,3)<<17;r1.El(b.g,D,qc,true)}break;case 21:jc=r1.zo(b,i);for(Fb=0;Fb<jc;Fb++){n=r1.zo(b,i);r1.pl(b.g,n,r1.zo(b,2)<<4)}break;case 22:jc=r1.zo(b,i);for(Gb=0;Gb<jc;Gb++){n=r1.zo(b,i);r1.ol(b.g,n,l3,true)}break;case 23:jc=r1.zo(b,B);for(Ib=0;Ib<jc;Ib++){D=r1.zo(b,B);r1.El(b.g,D,I3,true)}break;case 24:jc=r1.zo(b,B);for(Jb=0;Jb<jc;Jb++){D=r1.zo(b,B);l=r1.zo(b,2)<<21;r1.El(b.g,D,l,true)}break;case 25:for(Kb=0;Kb<j;Kb++)r1.zo(b,1)==1&&r1.ql(b.g,Kb,true);break;case 26:jc=r1.zo(b,B);m=iM(m1.DN,k2,5,jc,15,1);for(Lb=0;Lb<jc;Lb++)m[Lb]=r1.zo(b,B);break;case 27:jc=r1.zo(b,i);for(Mb=0;Mb<jc;Mb++){n=r1.zo(b,i);r1.ol(b.g,n,F2,true)}break;case 28:jc=r1.zo(b,B);for(Nb=0;Nb<jc;Nb++)r1.Fl(b.g,r1.zo(b,B),32);break;case 29:jc=r1.zo(b,i);for(Ob=0;Ob<jc;Ob++){n=r1.zo(b,i);gb=xR(lR(r1.zo(b,2)),30);r1.ol(b.g,n,gb,true)}break;case 30:jc=r1.zo(b,i);for(Pb=0;Pb<jc;Pb++){n=r1.zo(b,i);qc=xR(lR(r1.zo(b,7)),32);r1.ol(b.g,n,qc,true)}break;case 32:jc=r1.zo(b,i);for(Qb=0;Qb<jc;Qb++){n=r1.zo(b,i);sc=xR(lR(r1.zo(b,2)),44);r1.ol(b.g,n,sc,true)}break;case 33:jc=r1.zo(b,i);for(Rb=0;Rb<jc;Rb++){n=r1.zo(b,i);bb=xR(lR(r1.zo(b,5)),39);r1.ol(b.g,n,bb,true)}break;case 34:jc=r1.zo(b,i);for(Tb=0;Tb<jc;Tb++){n=r1.zo(b,i);r1.ol(b.g,n,P2,true)}break;case 35:jc=r1.zo(b,B);for(Ub=0;Ub<jc;Ub++){D=r1.zo(b,B);r1.El(b.g,D,L3,true)}break;case 36:jc=r1.zo(b,B);for(Vb=0;Vb<jc;Vb++){D=r1.zo(b,B);K=r1.zo(b,2)<<5;r1.El(b.g,D,K,true)}break;case 37:jc=r1.zo(b,B);for(jb=0;jb<jc;jb++){D=r1.zo(b,B);K=r1.zo(b,1)==0?8:16;r1.Fl(b.g,D,K)}}}r1._d(new r1.je(b.g),ac,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];r1.Fl(b.g,D,r1.dk(b.g,D)==2?4:2)}if(e==null&&!b.i&&d.length>b.e+1&&(d[b.e+1]==32||d[b.e+1]==9)){e=d;f=b.e+2}if(e!=null){try{if(e[f]==33||e[f]==35){r1.Ao(b,e,f+1);R=r1.zo(b,1)==1;S=r1.zo(b,1)==1;pc=2*r1.zo(b,4);C=1<<pc;eb=0;D=0;for(p=1;p<j;p++){if(D<k&&r1.Uj(b.g,1,D)==p){eb=r1.Uj(b.g,0,D++);db=1}else{eb=0;db=8}r1.sl(b.g,p,r1.Mj(b.g,eb)+db*(r1.zo(b,pc)-(C/2|0)));r1.tl(b.g,p,r1.Nj(b.g,eb)+db*(r1.zo(b,pc)-(C/2|0)));R&&r1.ul(b.g,p,r1.Oj(b.g,eb)+db*(r1.zo(b,pc)-(C/2|0)))}if(e[f]==35){ib=0;fb=iM(m1.DN,k2,5,j,15,1);for(q=0;q<j;q++)ib+=fb[q]=r1.dn(b.g,q);for(n=0;n<j;n++){for(jb=0;jb<fb[n];jb++){hb=r1.Ti(b.g,1);r1.Vi(b.g,n,hb,1);r1.sl(b.g,hb,r1.Mj(b.g,n)+(r1.zo(b,pc)-(C/2|0)));r1.tl(b.g,hb,r1.Nj(b.g,n)+(r1.zo(b,pc)-(C/2|0)));R&&r1.ul(b.g,hb,r1.Oj(b.g,n)+(r1.zo(b,pc)-(C/2|0)))}}j+=ib;k+=ib}v=R?1.5:(r1.Ri(),r1.Ri(),r1.Qi);u=r1.Rj(b.g,j,k,v);if(S){tc=r1.yo(r1.zo(b,pc),C);wc=tc*r1.Bo(r1.zo(b,pc),C);yc=tc*r1.Bo(r1.zo(b,pc),C);R&&(Ac=tc*r1.Bo(r1.zo(b,pc),C));db=tc/u;for(n=0;n<j;n++){r1.sl(b.g,n,wc+db*r1.Mj(b.g,n));r1.tl(b.g,n,yc+db*r1.Nj(b.g,n));R&&r1.ul(b.g,n,Ac+db*r1.Oj(b.g,n))}}else{tc=1.5;db=tc/u;for(n=0;n<j;n++){r1.sl(b.g,n,db*r1.Mj(b.g,n));r1.tl(b.g,n,db*r1.Nj(b.g,n));R&&r1.ul(b.g,n,db*r1.Oj(b.g,n))}}}else{R&&!S&&tc==0&&(tc=1.5);if(tc!=0&&b.g.p!=0){u=0;for(D=0;D<b.g.p;D++){Y=r1.Mj(b.g,r1.Uj(b.g,0,D))-r1.Mj(b.g,r1.Uj(b.g,1,D));Z=r1.Nj(b.g,r1.Uj(b.g,0,D))-r1.Nj(b.g,r1.Uj(b.g,1,D));$=R?r1.Oj(b.g,r1.Uj(b.g,0,D))-r1.Oj(b.g,r1.Uj(b.g,1,D)):0;u+=$wnd.Math.sqrt(Y*Y+Z*Z+$*$)}u/=b.g.p;cb=tc/u;for(n=0;n<b.g.o;n++){r1.sl(b.g,n,r1.Mj(b.g,n)*cb+wc);r1.tl(b.g,n,r1.Nj(b.g,n)*cb+yc);R&&r1.ul(b.g,n,r1.Oj(b.g,n)*cb+Ac)}}}}catch(a){a=YQ(a);if(pN(a,13)){ab=a;n1.SJ(ab,(n1.lV(),n1.kV),'');'Faulty 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e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=uR(_Q(r1.Kj(a.k,e),1),0);f=r1.Fj(a.k,e);l=f!=null?r1.Vo(a,e,f,d):j?'*':r1.Ej(a.k,e);!j&&f==null&&r1.Hn(a.k,e)&&(a.j&4)==0&&(r1.Hm(a.k,e)!=0||r1.wj(a.k,e)==-1&&r1.Lj(a.k,e)==0)&&(l=q1.h1(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&r1.So(a,r1.Om(a.k,b.a,b.g),b.g,c);g=r1.yj(a.k,e);if(g==0&&(a.j&1)!=0){h=_Q(r1.Kj(a.k,e),S2);eR(h,V2)==0?(g=-1):eR(h,U2)==0&&(g=1)}k=r1.Ij(a.k,e);m=(a.j&2)!=0?r1.Hj(a.k,e):0;o=(a.j&1)!=0?r1._o(a,e,d):null;r=!j&&!r1.gp(r1.Pj(a.k,e))||f!=null||(r1.Jj(a.k,e)==1||r1.Jj(a.k,e)==2)&&(q=r1.Dj(a.k,e)-1,!(q!=-1&&a.i[q][r1.Cj(a.k,e)]<=1))&&(r1.Pj(a.k,e)!=7||r1.yj(a.k,e)>0)||r1.Hn(a.k,e)&&r1.Hm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||r1.wj(a.k,e)!=-1||r1.Lj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(r1.Jj(a.k,e)==1||r1.Jj(a.k,e)==2)&&(p=r1.Dj(a.k,e)-1,!(p!=-1&&a.i[p][r1.Cj(a.k,e)]<=1))&&(r1.Pj(a.k,e)!=7||r1.yj(a.k,e)>0)&&n1.dV(c,r1.$o(a,e,n));if((a.j&1)==0&&r){i=r1.qn(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&n1.aV(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);r1.To(a,b,c);b.e&&(c.a+=')',c)};r1.Po=function Po(a,b,c){var d,e,f,g,h;f=true;h=s1.Xh(a.g,b).a;g=r1.cp(a,h);while(g!=-1){d=r1.Qm(a.k,h,g);e=r1.Sm(a.k,h,g);g=r1.cp(a,d);r1.Ro(a,new r1.gs(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};r1.Qo=function Qo(a,b,c){var d,e,f,g;for(e=b,f=0,g=e.length;f<g;++f){d=e[f];a.f[d&1073741823]=(d&c4)!=0^c?2:1}};r1.Ro=function Ro(a,b,c){s1.Rh(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[r1.Om(a.k,b.a,b.g)]=true)};r1.So=function So(a,b,c,d){var e,f,g,h,i;i=q1.h1(d.a).length;a.f[b]!=0&&n1._U(d,a.f[b]==1?47:92);if(a.j==1){f=r1.ck(a.k,127);if(f!=0){(f&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((f&2)!=0){q1.h1(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((f&4)!=0){q1.h1(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((f&8)!=0){q1.h1(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&16)!=0){q1.h1(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&64)!=0){q1.h1(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((f&32)!=0){q1.h1(d.a).length!=i&&(d.a+=',',d);n1.dV(d,r1.Fk(a.k,c)?'<-':'->')}}}if(i==q1.h1(d.a).length&&(!r1.In(a.k,b)||(a.j&4)!=0)){e=r1.dk(a.k,b)&127;e==1?r1.Hn(a.k,r1.Uj(a.k,0,b))&&r1.Hn(a.k,r1.Uj(a.k,1,b))&&(a.j&4)==0&&a.f[b]==0&&(d.a+='-',d):e==2?(d.a+='=',d):e==4?(d.a+='#',d):e==8?(d.a+='$',d):e==16?(d.a+='$',d):e==64?(d.a+=':',d):e==32&&n1.dV(d,r1.Fk(a.k,c)?'<-':'->')}if(a.j==1){g=i==q1.h1(d.a).length?'':';';h=r1.ck(a.k,b)&384;h==256?(d.a+=g+'@',d):h==128&&(d.a+=g+'!@',d)}};r1.To=function To(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<r1.Rm(a.k,b.a);f++){if(b.c[e]==r1.Qm(a.k,b.a,f)){d=r1.Sm(a.k,b.a,f);b.d[e]||r1.So(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);n1.aV(c,a.e[d])}}}}};r1.Uo=function Uo(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O;M=new s1.ki;for(r=new 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false}d=n1.PU(n1.zU(n1.OU(d,0,q1.h1(d).length-1),(q1.e1(7,q1.h1(c).length+1),q1.h1(c).substr(7))))}if(n1.CU(q1.h1(d).substr(0,5),'BEGIN')){f=n1.PU((q1.e1(6,q1.h1(d).length+1),q1.h1(d).substr(6)));if(n1.CU(q1.h1(f).substr(0,4),'CTAB')){e=1}else if(n1.CU(q1.h1(f).substr(0,4),'ATOM')){e=2}else if(n1.CU(q1.h1(f).substr(0,4),'BOND')){e=3}else if(n1.CU(q1.h1(f).substr(0,10),'COLLECTION')){e=4}else{return false}}else if(n1.CU(q1.h1(d).substr(0,3),'END')){e=0}else if(e==1){r1.Yp(a,d)}else if(e==2){r1.Up(a,d)}else if(e==3){r1.Wp(a,d)}else if(e==4){r1.Xp(a,d)}else{return false}d=I1.kS(b)}while(d!=null&&!(n1.CU(q1.h1(d).substr(0,6),l4)||n1.CU(d,m4))){d=I1.kS(b)}return true};r1.eq=function eq(){this.i=0};r1.fq=function fq(){this.i=1};PR(69,1,{},r1.eq,r1.fq);_.a=false;_.d=false;_.e=false;_.g=false;_.i=0;_.k=false;m1.hO=gT(69);r1.gq=function gq(a){};
84
- r1.hq=function hq(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;n1.dV(a.a,'M V30 BEGIN CTAB\n');n1.dV(a.a,o4+b.o+' '+b.p+' 0 0 0'+P1);n1.dV(a.a,'M V30 BEGIN ATOM\n');for(i=0;i<b.o;i++){n1.dV(a.a,n4+(i+1));if((b.t==null?null:b.t[i])!=null){k=b.t==null?null:b.t[i];u=uR(_Q(b.w[i],1),0);n1.dV(a.a,u?' 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b;if(a.o==1)return true;for(b=1;b<a.o;b++){if(a.H[b].a!=a.H[0].a||a.H[b].b!=a.H[0].b||a.H[b].c!=a.H[0].c){return true}}return false};r1.oq=function oq(a,b){var c;c=new r1.iq;c.b=b;r1.Ys(a,15);r1.hq(c,a,true);return c.a.a};PR(78,1,{},r1.iq,r1.jq);_.b=1;m1.iO=gT(78);r1.pq=function pq(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;k=a.g.K;l=0;for(f=0;f<c;f++){if(k>b[f]){k=b[f];l=f}}p=iM(m1.DN,k2,5,c,15,1);j=l>0?l-1:c-1;m=l<c-1?l+1:0;h=b[j]<b[m];for(g=0;g<c;g++){p[g]=b[l];h?--l<0&&(l=c-1):++l==c&&(l=0)}for(e=0;e<a.i.a.length;e++){o=s1.Xh(a.i,e);if(o.length!=c)continue;d=true;for(i=0;i<c;i++){if(o[i]!=p[i]){d=false;break}}if(d)return}s1.Sh(a.i,p);n=r1.Bq(a,p);s1.Sh(a.j,n);r1.Sq(a,p,n)};r1.qq=function qq(a,b,c){var d,e,f,g,h,i,j;i=iM(m1.DN,k2,5,a.f,15,1);g=iM(m1.DN,k2,5,a.f,15,1);j=iM(m1.UQ,E2,5,a.g.d,16,1);d=r1.Uj(a.g,0,b);e=r1.Uj(a.g,1,b);i[0]=d;i[1]=e;g[1]=-1;j[e]=true;h=1;while(h>=1){++g[h];if(g[h]==r1.Rm(a.g,i[h])){j[i[h]]=false;--h;continue}f=r1.Qm(a.g,i[h],g[h]);if(j[f]||c[f])continue;if(f==d&&h>1){r1.pq(a,i,h+1);if(a.i.a.length>=R2)return;continue}if(h+1<a.f){++h;i[h]=f;j[f]=true;g[h]=-1}}};r1.rq=function rq(a,b,c,d,e,f,g,h){var i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D;A=s1.Xh(a.i,b);for(l=A,m=0,n=l.length;m<n;++m){k=l[m];if(!r1.Oq(a,k))return true}B=s1.Xh(a.j,b);C=B.length;o=0;j=0;D=false;for(v=0;v<C;v++){o<<=1;j<<=1;if(r1.Qq(a,B[v])){o|=1}else if(h&&r1.Nq(a,B[v])){o|=1;j|=1}else{i=c[b][v];if(i!=-1){if(d[i]){if(e[i]){o|=1;f[i]||(j|=1)}}else{D=true}}}}u=false;switch(C){case 3:p=qM(cM(m1.DN,1),k2,5,15,[2,1,4]);u=true;for(t=0;t<3;t++){if((o&p[t])==p[t]){if(r1.Pj(a.g,A[t])==6&&r1.yj(a.g,A[t])==1||r1.Pj(a.g,A[t])==5&&r1.yj(a.g,A[t])==0){e[b]=true;g[b]=t;(j&p[t])==0&&(u=false)}}}break;case 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xr(){this.c=8;this.N=new s1.U_(new A1.EJ)};r1.yr=function yr(a,b){var c;c=iM(m1.DN,k2,5,b,15,1);n1.mV(a,0,c,0,$wnd.Math.min(a.length,b));return c};r1.zr=function zr(a,b){var c;c=iM(m1.UQ,E2,5,b,16,1);n1.mV(a,0,c,0,$wnd.Math.min(a.length,b));return c};PR(92,1,{},r1.xr);_.c=0;_.d=0;_.o=0;_.p=0;_.q=false;_.v=0;_.w=0;_.K=false;_.M=0;_.O=false;m1.mO=gT(92);r1.Ar=function Ar(){};PR(109,1,{109:1},r1.Ar);_.a=0;_.b=0;_.c=0;_.d=0;m1.kO=gT(109);
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r1.Uq(a.j,3);s=iM(m1.UQ,E2,5,U.i.a.length,16,1);for(Q=0;Q<U.i.a.length;Q++){S=s1.Xh(U.i,Q);s[Q]=true;for(A=S,D=0,H=A.length;D<H;++D){v=A[D];if(!r1.Ek(a.j,v)){s[Q]=false;break}}if(s[Q]){for(B=S,F=0,I=B.length;F<I;++F){v=B[F];t[v]=true}T=s1.Xh(U.j,Q);for(w=T,C=0,G=w.length;C<G;++C){v=w[C];if(!a.f[v]){a.f[v]=true;++a.c}}}}for(m=0;m<a.j.e;m++){!a.f[m]&&(U.b[m]&c2)!=0&&r1.Ek(a.j,r1.Uj(a.j,0,m))&&r1.Ek(a.j,r1.Uj(a.j,1,m))&&r1.ls(a,m)}for(n=0;n<a.j.e;n++){if(!a.f[n]){f=r1.Uj(a.j,0,n);g=r1.Uj(a.j,1,n);if(!t[f]&&!t[g]&&r1.Ek(a.j,f)&&r1.Ek(a.j,g)){a.f[n]=true;++a.c}}}r1.Ys(a.j,7);r=iM(m1.UQ,E2,5,a.j.e,16,1);a.j.e>=0&&n1.mV(a.f,0,r,0,a.j.e);for(R=0;R<U.i.a.length;R++){if(s[R]){S=s1.Xh(U.i,R);for(K=S,L=0,M=K.length;L<M;++L){J=K[L];if(!r1.Cs(a,J)){if(r1.Ek(a.j,J)){r1.ll(a.j,J,false);--a.b}for(v=0;v<r1.Rm(a.j,J);v++){p=r1.Sm(a.j,J,v);if(a.f[p]){a.f[p]=false;--a.c}}}}}}r1.Bs(a);for(P=0;P<U.i.a.length;P++){if(s[P]&&s1.Xh(U.j,P).length==6){T=s1.Xh(U.j,P);u=true;for(i=T,j=0,k=i.length;j<k;++j){h=i[j];if(!a.f[h]){u=false;break}}if(u){r1.As(a,T[0]);r1.As(a,T[2]);r1.As(a,T[4]);r1.Bs(a)}}}for(O=5;O>=4;O--){do{N=false;for(h=0;h<a.j.e;h++){if(a.f[h]){d=0;for(q=0;q<2;q++){o=r1.Uj(a.j,q,h);for(v=0;v<r1.Rm(a.j,o);v++)a.f[r1.Sm(a.j,o,v)]&&++d}if(d==O){r1.As(a,h);r1.Bs(a);N=true;break}}}}while(N)}while(a.b>=2)if(!r1.os(a,r))break;if(b){if(a.b!=0){for(e=0;e<a.j.d;e++){if(r1.Ek(a.j,e)){r1.ll(a.j,e,false);r1.ol(a.j,e,2,true);--a.b;c=true}}}if(a.c!=0){for(h=0;h<a.j.e;h++){if(a.f[h]){a.f[h]=false;r1.Fl(a.j,h,64);--a.c;c=true}}}}else{for(e=0;e<a.j.d;e++){if(r1.Ek(a.j,e)&&r1.dn(a.j,e)!=0){r1.ll(a.j,e,false);r1.pl(a.j,e,32);--a.b}}}if(a.p==0||a.p==1&&!c){if(a.b!=0)throw ZQ(new n1.iK(z4));if(a.c!=0)throw ZQ(new n1.iK(z4))}};
86
- r1.ts=function ts(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb;a.j=b;r1.Ws(a.j);!!a.q&&n1.wS(a.q,0);a.b=0;a.o=false;i=a.p!=0;hb=null;q=iM(m1.DN,k2,5,32,15,1);q[0]=-1;ob=iM(m1.DN,k2,5,16,15,1);rb=iM(m1.DN,k2,5,16,15,1);qb=iM(m1.DN,k2,5,16,15,1);pb=iM(m1.DN,k2,5,16,15,1);for(Q=0;Q<16;Q++)ob[Q]=-1;n=0;I=-1;ub=false;T=false;N=false;v=0;t=1;s=0;m=new A1.KJ;ib=new r1.Qs(c);l=new r1.Hs;nb=new s1.ki;tb=iM(m1.DN,k2,5,1,15,1);while(c[d]<=32)++d;while(d<e){wb=c[d++]&c2;if(n1.VS(wb)||wb==42||wb==63||wb==33&&i&&ub||wb==35&&i&&ub){p=-1;A=0;Y=0;h=-1;G=-1;gb=false;S=false;o=0;if(ub){if(wb==42){p=6;o=wR(o,1)}else if(wb==63){p=0}else{V=wb==33;if(V){a.o=true;o=wR(o,1);++d}if(c[d-1]==82&&i&&(TS(c[d]&c2)||a.a&&c[d]==123)){p=6;o=wR(o,1);--d;V&&--d}else{if(!r1.vs(a,c,d-1,e,l))throw ZQ(new n1.iK("SmilesParser: Unexpected character in atom definition:'"+String.fromCharCode(c[d-1]&c2)+A4+(d-1)));p=l.a;d+=l.b-1;a.p!=2&&(G=9);if(i&&(c[d]==44||V)){$=l.d;Z=l.c;vb=d-l.b;while(vb<e){if(!r1.vs(a,c,vb,e,l)){if(!V)throw ZQ(new n1.iK("SmilesParser: Unexpected character in atom list:'"+String.fromCharCode(c[vb]&c2)+B4+vb));break}if(l.a==1){if(!V)throw ZQ(new n1.iK("SmilesParser: Hydrogen is not supported in positive atom lists:'"+n1.AU((s1.LZ(c,vb,e),s1.PZ(c,iM(m1.zN,F3,5,e-vb,15,1),vb,e)))+B4+vb))}else{A1.IJ(m,n1.hU(l.a));$=$|l.d;Z=Z|l.c}vb+=l.b;if(c[vb]!=(V?59:44))break;if(V&&c[vb+1]!=33)break;++vb;c[vb]==33&&++vb}if(m.a.a.length>1){G=-1;Z?$||(o=wR(o,4)):(o=wR(o,2))}d=vb}}}while(ub){if(c[d]==64){++d;if(c[d]==64){S=true;++d}gb=true;continue}if(c[d]==58){++d;while(TS(c[d]&c2)){Y=10*Y+c[d]-48;++d}continue}if(c[d]==91)throw ZQ(new n1.iK('SmilesParser: nested square brackets found. Position:'+d));if(c[d]==93){++d;ub=false;continue}A=r1.ws(c,d,tb);if(tb[0]!=0){d+=tb[0];A==0&&(o=wR(o,T2));continue}U=c[d]==33;U&&++d;if(c[d]==72){++d;d+=r1.Ns(ib,d,1);H=0;ib.c<=0&&ib.b>=0&&(H=wR(H,128));ib.c<=1&&ib.b>=1&&(H=wR(H,256));ib.c<=2&&ib.b>=2&&(H=wR(H,512));ib.c<=3&&ib.b>=3&&(H=wR(H,R2));if(U){o=wR(o,H);G=-1}else{if(ib.b==ib.c){G=ib.c}else{o=wR(o,_Q(Q2,vR(H)));G=-1}}continue}if(c[d]==68){++d;d+=r1.Ns(ib,d,1);H=0;ib.c<=0&&ib.b>=0&&(H=wR(H,G3));ib.c<=1&&ib.b>=1&&(H=wR(H,w3));ib.c<=2&&ib.b>=2&&(H=wR(H,v3));ib.c<=3&&ib.b>=3&&(H=wR(H,I3));ib.c<=4&&ib.b>=4&&(H=wR(H,Y2));if(eR(H,0)!=0){if(U)o=wR(o,H);else if(uR(_Q(o,X2),0))o=_Q(o,vR(H));else{H=FR(H,X2);o=wR(o,H)}}continue}if(c[d]==122&&a.a){++d;d+=r1.Ns(ib,d,4);H=0;ib.c<=0&&ib.b>=0&&(H=wR(H,g3));ib.c<=1&&ib.b>=1&&(H=wR(H,C4));ib.c<=2&&ib.b>=2&&(H=wR(H,D4));ib.c<=3&&ib.b>=3&&(H=wR(H,E4));ib.c<=4&&ib.b>=4&&(H=wR(H,f3));if(eR(H,0)!=0){if(U)o=wR(o,H);else if(uR(_Q(o,a3),0))o=_Q(o,vR(H));else{H=FR(H,a3);o=wR(o,H)}}continue}if(c[d]==88){++d;d+=r1.Ns(ib,d,1);Cb=(r1.Ri(),r1.Mi)[p];if(Cb==null)continue;yb=Cb[0];X=r1.ws(c,d,tb);tb[0]!=0&&(r1.im(p)?(yb+=X):p==6?(yb-=$wnd.Math.abs(X)):(yb-=X));H=0;yb-ib.c<=0&&yb-ib.b>=0&&(H=wR(H,L2));yb-ib.c<=1&&yb-ib.b>=1&&(H=wR(H,W3));yb-ib.c<=2&&yb-ib.b>=2&&(H=wR(H,b2));if(eR(H,0)!=0){if(U)o=wR(o,H);else if(uR(_Q(o,W2),0))o=_Q(o,vR(H));else{H=FR(H,W2);o=wR(o,H)}}continue}if(c[d]==65||c[d]==97){++d;o=wR(o,U^c[d]==65?4:2);continue}if(c[d]==82){++d;d+=r1.Ns(ib,d,3);H=0;ib.c<=0&&ib.b>=0&&(H=wR(H,8));ib.c<=1&&ib.b>=1&&(H=wR(H,16));ib.c<=2&&ib.b>=2&&(H=wR(H,32));ib.c<=3&&ib.b>=3&&(H=wR(H,64));ib.b>3&&r1.Es(a,(U?'!R':'R')+ib.b);if(eR(H,0)!=0){if(U)o=wR(o,H);else if(uR(_Q(o,120),0))o=_Q(o,vR(H));else{H=FR(H,120);o=wR(o,H)}}continue}if(c[d]==114){++d;d+=r1.Ns(ib,d,1);if(ib.a){U?(o=wR(o,384)):(o=wR(o,8));continue}sb=ib.c;ib.b>ib.c&&r1.Es(a,(U?'!r':'r')+('{'+ib.c+'-'+ib.b+'}'));!U&&sb>=3&&sb<=7?(o=wR(o,m1.hR(sb<<22))):ib.b>ib.c||r1.Es(a,(U?'!r':'r')+sb);continue}if(c[d]==118){++d;d+=r1.Ns(ib,d,1);yb=ib.c;ib.b>ib.c&&r1.Es(a,(U?'!v':'v')+('{'+ib.c+'-'+ib.b+'}'));!U&&yb<=14?(h=yb):ib.b>ib.c||r1.Es(a,(U?'!v':'v')+yb);continue}if(c[d]==36){d+=r1.zs(a,c,d,nb);continue}if(i&&(c[d]==59||c[d]==38)){a.o=true;++d;continue}if(i&&c[d]==44&&r1.rs(c,d,tb)){a.o=true;d+=tb[0]+1;continue}throw ZQ(new n1.iK("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&c2)+F4+d))}}else if(wb==42){p=6;o=wR(o,1)}else if(wb==63){p=0}else if((wb==65||wb==97)&&i){p=6;o=wR(o,1);o=wR(o,wb==65?4:2);a.o=true}else{switch(String.fromCharCode(wb).toUpperCase().charCodeAt(0)){case 66:if(d<e&&c[d]==114){p=35;++d}else p=5;break;case 67:if(d<e&&c[d]==108){p=17;++d}else p=6;break;case 70:p=9;break;case 73:p=53;break;case 78:p=7;break;case 79:p=8;break;case 80:p=15;break;case 83:p=16;}}if(p==-1&&wb!=63)throw ZQ(new n1.iK('SmilesParser: unknown element label found. Position:'+(d-1)));k=r1.Ti(a.j,p);r1.cl(a.j,k,A);r1.kl(a.j,k,Y,false);r1.al(a.j,k,h);if(eR(o,0)!=0){a.o=true;if(uR(_Q(o,2),0)){o=_Q(o,-3);r1.ll(a.j,k,true);++a.b}else{r1.ll(a.j,k,false)}r1.ol(a.j,k,o,true)}if(m.a.a.length!=0){a.o=true;W=iM(m1.DN,k2,5,m.a.a.length,15,1);for(P=0;P<m.a.a.length;P++)W[P]=(P<0?null:s1.Xh(m.a,P)).a;r1.il(a.j,k,W);q1.h1(m.a.a).length=0}else{if(String.fromCharCode(wb).toLowerCase().charCodeAt(0)==wb&&n1.VS(wb)){if(p!=5&&p!=6&&p!=7&&p!=8&&p!=15&&p!=16&&p!=33&&p!=34)throw ZQ(new n1.iK('SmilesParser: atomicNo '+p+' must not be aromatic. Position:'+(d-1)));r1.ll(a.j,k,true);++a.b}else{r1.ll(a.j,k,false)}}if(nb.a.length!=0){for(K=new s1.HZ(nb);K.a<K.c.a.length;){J=s1.GZ(K);r1.vl(J,0,0);r1.bj(b,J,k)}q1.h1(nb.a).length=0}if(G!=-1&&p!=1){w=iM(m1.zN,F3,5,1,15,1);w[0]=G<<24>>24;r1.gl(a.j,k,w)}I=q[v];if(q[v]!=-1&&t!=512){r=r1.Vi(a.j,q[v],k,t);if(s!=0){a.o=true;r1.El(a.j,r,s,true)}}t=1;s=0;q[v]=k;if(n!=0){r1.ml(a.j,k,n);n=0}if(g){eb=!hb?null:s1.eZ(hb,n1.hU(I));!!eb&&r1.Js(eb,k,d);if(gb){!hb&&(hb=new s1.c_);O=G==9?0:G;s1.W$(hb,n1.hU(k),new r1.Ms(k,d-2,I,O,S))}}continue}if(wb==36){if(nb.a.length!=0)throw ZQ(new n1.iK('SmilesParser: multiple recursive SMARTS without preceding atom are not supported yet. Position:'+(d-1)));q[v]=b.o;d+=r1.zs(a,c,d-1,nb);r1.Wi(b,(q1.Z0(0,nb.a.length),nb.a[0]));q1.h1(nb.a).length=0;continue}if(wb==46){q[v]=-1;t=512;continue}if(wb==45||wb==61||wb==35||wb==36||wb==58||wb==47||wb==92||wb==60||wb==126||wb==33||wb==64){if(ub)throw ZQ(new n1.iK("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(wb)+F4+(d-1)));D=0;while(wb==45||wb==61||wb==35||wb==36||wb==58||wb==47||wb==92||wb==60||wb==126||wb==33||wb==64){if(wb==33){wb=c[d++]&c2;if(wb==64)s|=128;else if(wb==45&&c[d]==62||wb==60&&c[d]==45){D|=32;++d}else if(wb==45)D|=1;else if(wb==61)D|=2;else if(wb==35)D|=4;else if(wb==36)D|=32;else if(wb==58)D|=8;else throw ZQ(new n1.iK("SmilesParser: bond symbol '"+String.fromCharCode(wb)+"' not allowed after '!'. Position:"+(d-1)))}else{if(wb==64)s|=256;else if(wb==61)t=2;else if(wb==35)t=4;else if(wb==36)t=8;else if(wb==58)t=64;else if(wb==126)s|=15;else if(wb==47){g&&(t=257)}else if(wb==92){g&&(t=129)}else if(wb==45&&c[d]==62||wb==60&&c[d]==45){t=32;++d}if(c[d]==44){s|=(t==32?62:wb)==61?2:(t==32?62:wb)==35?4:(t==32?62:wb)==36?32:(t==32?62:wb)==58?8:(t==32?62:wb)==62?16:(t==32?62:wb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){s|=16;d+=3}else{s|=r1.ns(c[d+1]&c2);d+=2}}}}if(c[d]==59){++d;wb=c[d++]&c2;continue}D!=0&&(s|=31&~D);break}continue}if(wb<=32){d=e;continue}if(TS(wb)){bb=wb-48;if(ub){while(d<e&&TS(c[d]&c2)){bb=10*bb+c[d]-48;++d}n=bb}else{u=T?d-3:d-2;M=c[u]==45||c[u]==47||c[u]==92||c[u]==61||c[u]==35||c[u]==36||c[u]==58||c[u]==62||c[u]==126;if(T&&d<e&&TS(c[d]&c2)){bb=10*bb+c[d]-48;T=false;++d}if(bb>=ob.length){if(bb>=100)throw ZQ(new n1.iK('SmilesParser: ringClosureAtom number out of range: '+bb));cb=ob.length;ab=ob.length;while(ab<=bb)ab=$wnd.Math.min(100,ab+16);ob=(q1.X0(ab),s1.PZ(ob,iM(m1.DN,k2,5,ab,15,1),0,ab));rb=(q1.X0(ab),s1.PZ(rb,iM(m1.DN,k2,5,ab,15,1),0,ab));qb=(q1.X0(ab),s1.PZ(qb,iM(m1.DN,k2,5,ab,15,1),0,ab));pb=(q1.X0(ab),s1.PZ(pb,iM(m1.DN,k2,5,ab,15,1),0,ab));for(P=cb;P<ab;P++)ob[P]=-1}if(ob[bb]==-1){ob[bb]=q[v];rb[bb]=d-1;qb[bb]=M?t:-1;pb[bb]=M?s:0}else{if(ob[bb]==q[v])throw ZQ(new n1.iK('SmilesParser: ring closure to same atom'));if(g&&!!hb){eb=s1.eZ(hb,n1.hU(ob[bb]));!!eb&&r1.Js(eb,q[v],rb[bb]);eb=s1.eZ(hb,n1.hU(q[v]));!!eb&&r1.Js(eb,ob[bb],d-1)}qb[bb]!=-1?(t=qb[bb]):t==257?(t=129):t==129&&(t=257);r=r1.Vi(a.j,ob[bb],q[v],t);pb[bb]!=0&&(s=pb[bb]);if(s!=0){a.o=true;r1.El(a.j,r,pb[bb],true)}ob[bb]=-1}t=1;s=0}continue}if(wb==43){throw ZQ(new n1.iK("SmilesParser: '+' found outside brackets. Position:"+(d-1)))}if(wb==40){if(q[v]==-1){N=true;continue}++v;q.length==v&&(q=s1.OZ(q,q.length+32));q[v]=q[v-1];continue}if(wb==41){if(v==0){if(!N)throw ZQ(new n1.iK("SmilesParser: Closing ')' without opening counterpart. 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s1.HZ(a.e);d.a<d.c.a.length;){c=s1.GZ(d);c.a!=2147483646&&c.a!=V1&&(c.a=b[c.a])}if(a.e.a.length==3)s1.Sh(a.e,new r1.Is(V1,a.b));else if(a.e.a.length!=4)return 3;return a.d^r1.Ls(a)?1:2};r1.Ls=function Ls(a){var b,c,d;c=false;for(b=1;b<a.e.a.length;b++){for(d=0;d<b;d++){s1.Xh(a.e,d).a>s1.Xh(a.e,b).a&&(c=!c);s1.Xh(a.e,d).b>s1.Xh(a.e,b).b&&(c=!c)}}return c};r1.Ms=function Ms(a,b,c,d,e){if(d!=0&&d!=1){this.c=true}else{this.a=a;this.b=b;this.d=e;this.e=new s1.ki;c!=-1&&r1.Js(this,c,b-1);c!=-1&&d==1&&r1.Js(this,2147483646,b+1)}};PR(111,1,{111:1},r1.Ms);_.a=0;_.b=0;_.c=false;_.d=false;m1.sO=gT(111);r1.Ns=function Ns(a,b,c){var d,e,f,g,h;a.a=false;a.d=b;if(TS(a.e[b]&c2)){h=r1.Os(a);a.c=a.b=h;d=b-1;while(d>1&&WS(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=r1.Os(a);a.c>h?(a.c=h):a.b<h&&(a.b=h)}return a.d-b}if(a.e[b]==123&&TS(a.e[b+1]&c2)){++a.d;a.c=r1.Os(a);if(a.e[a.d++]!=45)return 0;if(!TS(a.e[a.d]&c2))return 0;a.b=r1.Os(a);if(a.e[a.d++]!=125)return 0;return a.d-b}a.c=1;a.b=c;a.a=true;return 0};r1.Os=function Os(a){var b;b=a.e[a.d++]-48;TS(a.e[a.d]&c2)&&(b=10*b+(a.e[a.d++]-48));return b};r1.Ps=function Ps(a){return '{'+a.c+'-'+a.b+'}'};r1.Qs=function Qs(a){this.e=a};PR(144,1,{},r1.Qs);_.lb=function Rs(){return r1.Ps(this)};_.a=false;_.b=0;_.c=0;_.d=0;m1.uO=gT(144);r1.Ss=function Ss(a){a.c=new s1.ki};r1.Ts=function Ts(a,b){var c,d,e,f;f=a.c.a.length;if(f==0){s1.Rh(a.c,0,b);return 0}e=1;while(2*e<=f)e<<=1;d=e;--e;while(d!=0){d>>=1;if(e>=f){e-=d;continue}c=n1.xU(b,s1.Xh(a.c,e));if(c==0)return -1;if(d==0)break;c<0?(e-=d):(e+=d)}e<f&&n1.xU(b,s1.Xh(a.c,e))>0&&++e;s1.Rh(a.c,e,b);return e};r1.Us=function Us(a,b){var c,d,e,f;f=a.c.a.length;if(f==0)return -1;e=1;while(2*e<=f)e<<=1;d=e;--e;while(d!=0){d>>=1;if(e>=f){e-=d;continue}c=n1.xU(b,s1.Xh(a.c,e));if(c==0)return e;if(d==0)break;c<0?(e-=d):(e+=d)}return -1};r1.Vs=function Vs(){r1.Ss(this)};PR(123,1,E3,r1.Vs);m1.vO=gT(123);r1.Ws=function 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1:{C=a.g[b];if(C==0){k=r1.Mm(a,true);n=0}else{k=I-r1.Mj(a,a.f[b][0]);n=J-r1.Nj(a,a.f[b][0])}if(C==1){t=r1.Si(a,I+t1.Vt*k+t1.$t*n,J-t1.$t*k+t1.Vt*n,0)}else if(C==2){k=I-0.5*(r1.Mj(a,a.f[b][0])+r1.Mj(a,a.f[b][1]));n=J-0.5*(r1.Nj(a,a.f[b][0])+r1.Nj(a,a.f[b][1]));t=r1.Si(a,I+k,J+n,0)}else if(C==3){F=a.f[b][0];for(r=1;r<3;r++){h=a.i[b][r];(a.F[h]==129||a.F[h]==257)&&(F=a.f[b][r])}c=$wnd.Math.abs(r1.gm(r1.fm(a.H[b].a,a.H[b].b,r1.Mj(a,a.f[b][0]),r1.Nj(a,a.f[b][0])),r1.fm(a.H[b].a,a.H[b].b,r1.Mj(a,a.f[b][1]),r1.Nj(a,a.f[b][1]))));d=$wnd.Math.abs(r1.gm(r1.fm(a.H[b].a,a.H[b].b,r1.Mj(a,a.f[b][0]),r1.Nj(a,a.f[b][0])),r1.fm(a.H[b].a,a.H[b].b,r1.Mj(a,a.f[b][2]),r1.Nj(a,a.f[b][2]))));e=$wnd.Math.abs(r1.gm(r1.fm(a.H[b].a,a.H[b].b,r1.Mj(a,a.f[b][1]),r1.Nj(a,a.f[b][1])),r1.fm(a.H[b].a,a.H[b].b,r1.Mj(a,a.f[b][2]),r1.Nj(a,a.f[b][2]))));D=true;if(c>d&&c>e){if(d+e<J2){D=false;k=I-0.5*(r1.Mj(a,a.f[b][0])+r1.Mj(a,a.f[b][1]));n=J-0.5*(r1.Nj(a,a.f[b][0])+r1.Nj(a,a.f[b][1]))}}else if(d>c&&d>e){if(c+e<J2){D=false;k=I-0.5*(r1.Mj(a,a.f[b][0])+r1.Mj(a,a.f[b][2]));n=J-0.5*(r1.Nj(a,a.f[b][0])+r1.Nj(a,a.f[b][2]))}}else{if(c+d<J2){D=false;k=I-0.5*(r1.Mj(a,a.f[b][1])+r1.Mj(a,a.f[b][2]));n=J-0.5*(r1.Nj(a,a.f[b][1])+r1.Nj(a,a.f[b][2]))}}if(D){G=a.f[b][0];j=S3;for(q=0;q<3;q++){f=a.f[b][q];if(f!=F){i=$wnd.Math.pow(a.H[b].a-a.H[f].a,2)+$wnd.Math.pow(a.H[b].b-a.H[f].b,2);if(i<j){G=f;j=i;n1.lV();String.fromCharCode(10)}}}t=r1.Si(a,(a.H[F].a+a.H[G].a)/2,(a.H[F].b+a.H[G].b)/2,0)}else{t=r1.Si(a,I+k,J+n,0)}}else{t=r1.Si(a,I+k,J+n,0)}r1.vl(a,t,1);r1.Vi(a,b,t,1)}break;case 2:B=a.g[b];if(B==1){k=I-r1.Mj(a,a.f[b][0]);n=J-r1.Nj(a,a.f[b][0]);t=r1.Si(a,I+(t1.Wt*k-t1._t*n)*0.7,J+(t1._t*k+t1.Wt*n)*0.7,0);r1.vl(a,t,1);r1.Vi(a,b,t,1);t=r1.Si(a,I+(t1.Tt*k-t1.Yt*n)*0.7,J+(t1.Yt*k+t1.Tt*n)*0.7,0);r1.vl(a,t,1);r1.Vi(a,b,t,1)}else if(B==2){l=I-r1.Mj(a,a.f[b][0]);o=J-r1.Nj(a,a.f[b][0]);m=I-r1.Mj(a,a.f[b][1]);p=J-r1.Nj(a,a.f[b][1]);v=$wnd.Math.sqrt(l*l+o*o)*0.7;w=$wnd.Math.sqrt(m*m+p*p)*0.7;k=l+m;n=o+p;u=$wnd.Math.sqrt(k*k+n*n);g=(v+w)/2;k=k/u*g;n=n/u*g;H=r1.wn(a,b);t=r1.Si(a,I+t1.St*k-t1.Xt*n,J+t1.Xt*k+t1.St*n,0);r1.vl(a,t,1);H>-1?r1.Vi(a,b,t,1):r1.Vi(a,b,t,257);t=r1.Si(a,I+t1.Ut*k-t1.Zt*n,J+t1.Zt*k+t1.Ut*n,0);r1.vl(a,t,1);r1.Vi(a,b,t,1)}else{for(s=0;s<A;s++){t=r1.Si(a,I,J,0);r1.vl(a,t,1);r1.Vi(a,b,t,1)}}break;case 3:{if(a.f[b][0]>0){k=(I-r1.Mj(a,a.f[b][0]))*0.7;n=(J-r1.Nj(a,a.f[b][0]))*0.7;t=r1.Si(a,I+k,J+n,0);r1.vl(a,t,1);r1.Vi(a,b,t,1);t=r1.Si(a,I-n,J+k,0);r1.vl(a,t,1);r1.Vi(a,b,t,1);t=r1.Si(a,I+n,J-k,0);r1.vl(a,t,1);r1.Vi(a,b,t,1)}else{k=r1.Mm(a,true);n=r1.Mm(a,true);t=r1.Si(a,I+k,J+n,0);r1.vl(a,t,1);r1.Vi(a,b,t,1);t=r1.Si(a,I-n*t1.Wt,J+k*t1._t,0);r1.vl(a,t,1);r1.Vi(a,b,t,1);t=r1.Si(a,I-n*t1.Wt,J-k*t1._t,0);r1.vl(a,t,1);r1.Vi(a,b,t,1)}}break;default:{for(s=0;s<A;s++){t=r1.Si(a,I,J,0);r1.vl(a,t,1);r1.Vi(a,b,t,1)}break}}};t1.du=function du(a){t1.au();var b,c;r1.Ys(a,1);c=0;for(b=0;b<a.o;b++){a.A[b]==1?++c:(c+=a.c[b]-a.g[b]+r1.dn(a,b))}return c};t1.St=0;t1.Tt=0;t1.Ut=0;t1.Vt=0;t1.Wt=0;t1.Xt=0;t1.Yt=0;t1.Zt=0;t1.$t=0;t1._t=0;u1.fu=function fu(a,b,c){var d,e,f;f=b.length;d=new u1.Mv(a.f,f,false);d.a[0]=0;d.b[0]=0;for(e=0;e<f;e++){d.k[e]=128-f;d.e[e]=b[e]}f<8?u1.ou(d):u1.mu(a,d,b,c);u1.Wu(a.d,d)};u1.gu=function gu(a,b,c,d,e){var f,g,h,i,j,k,l,m;g=iM(m1.DN,k2,5,e,15,1);for(f=0;f<a.f.o;f++){for(i=0;i<r1.Cm(a.f,f);i++){m=c[r1.Qm(a.f,f,i)];for(j=0;j<i;j++)if(m<g[j])break;for(k=i;k>j;k--)g[k]=g[k-1];g[j]=m}l=r1.Cm(a.f,f);r1.dg(b[f],f);r1.ag(b[f],d,m1.hR(c[f]));r1.ag(b[f],(e-l)*(d+1),0);for(h=0;h<l;h++)r1.ag(b[f],d+1,m1.hR(g[h]))}};u1.hu=function hu(a){var b,c,d,e,f,g,h,i,j,k,l;d=r1.Pf(a.f.d);i=2;for(c=0;c<a.f.d;c++)i=$wnd.Math.max(i,r1.Cm(a.f,c));f=(62+2*d+i*(d+1))/63|0;e=iM(m1.ON,D3,74,a.f.o,0,1);for(b=0;b<a.f.o;b++){e[b]=new r1.eg(f);r1.dg(e[b],b)}l=iM(m1.DN,k2,5,a.f.o,15,1);for(g=0;g<a.f.e;g++){h=r1.bk(a.f,g);if(h==1||h==2){r1.bg(e[r1.Uj(a.f,0,g)],m1.hR(h));r1.bg(e[r1.Uj(a.f,1,g)],m1.hR(h))}}j=u1.iu(e,l);do{k=j;u1.gu(a,e,l,d,i);j=u1.iu(e,l)}while(k!=j);return l};u1.iu=function iu(a,b){var c,d;d=0;s1.$Z(a,0,a.length,null);for(c=0;c<a.length;c++){(c==0||r1.cg(a[c],a[c-1])!=0)&&++d;b[a[c].a]=d}return d};
87
- u1.ju=function ju(a){var b,c,d,e,f,g,h,i,j,k,l,m;for(i=0;i<a.d.a.length;i++){h=s1.Xh(a.d,i);for(j=0;j<h.f.length;j++){d=h.f[j];if(r1.ak(a.f,d)==2){!r1.Yn(a.f,d)&&(r1.bk(a.f,d)==3||r1.bk(a.f,d)==0)&&r1.Dl(a.f,d);if(!r1.Vn(a.f,d)&&r1.Rm(a.f,r1.Uj(a.f,0,d))>1&&r1.Rm(a.f,r1.Uj(a.f,1,d))>1&&(r1.bk(a.f,d)==1||r1.bk(a.f,d)==2)){m=iM(m1.DN,k2,5,2,15,1);e=iM(m1.DN,k2,5,2,15,1);for(k=0;k<2;k++){m[k]=a.f.K;e[k]=r1.Uj(a.f,k,d);for(l=0;l<r1.Cm(a.f,e[k]);l++){f=r1.Qm(a.f,e[k],l);f!=r1.Uj(a.f,1-k,d)&&m[k]>f&&(m[k]=f)}}g=u1.qv(h.a[h.g[e[0]]],h.b[h.g[e[0]]],h.a[h.g[e[1]]],h.b[h.g[e[1]]]);b=u1.qv(h.a[h.g[m[0]]],h.b[h.g[m[0]]],h.a[h.g[e[0]]],h.b[h.g[e[0]]]);c=u1.qv(h.a[h.g[e[1]]],h.b[h.g[e[1]]],h.a[h.g[m[1]]],h.b[h.g[m[1]]]);u1.qu(g,b)<0^u1.qu(g,c)<0^r1.bk(a.f,d)==2&&u1.Av(h,d)}}}}};u1.ku=function ku(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;m=new s1.ki;r=new s1.ki;d=new s1.ki;for(f=new s1.HZ(a.d);f.a<f.c.a.length;){e=s1.GZ(f);g=0;q1.h1(d.a).length=0;for(h=0;h<e.e.length;h++){b=e.e[h];c=a.i[b];if(c!=0){s1.Sh(d,new u1.sv(e,h,c));g+=c}}if(g!=0){s1.hi(d,new u1._u);for(j=new s1.HZ(d);j.a<j.c.a.length;){i=s1.GZ(j);if(g*i.b>0){c=$wnd.Math.abs(g)>=$wnd.Math.abs(i.b)?i.b:g;g-=c;s1.Sh(c<0?m:r,new u1.sv(e,i.a,c));if(g==0)break}}}}if(m.a.length==0||r.a.length==0)return null;s1.hi(r,new u1.dv);s1.hi(m,new u1.hv);for(p=new s1.HZ(r);p.a<p.c.a.length;){n=s1.GZ(p);for(l=new s1.HZ(m);l.a<l.c.a.length;){k=s1.GZ(l);if(n.b==-k.b){a.i[u1.Ev(n.c,n.a)]-=n.b;a.i[u1.Ev(k.c,k.a)]-=k.b;return new u1.nv(n.c,k.c,n.a,k.a)}}}for(q=new s1.HZ(r);q.a<q.c.a.length;){n=s1.GZ(q);for(l=new s1.HZ(m);l.a<l.c.a.length;){k=s1.GZ(l);if(n.b>-k.b){a.i[u1.Ev(n.c,n.a)]+=k.b;a.i[u1.Ev(k.c,k.a)]-=k.b;return new u1.nv(n.c,k.c,n.a,k.a)}}}for(o=new s1.HZ(r);o.a<o.c.a.length;){n=s1.GZ(o);for(l=new s1.HZ(m);l.a<l.c.a.length;){k=s1.GZ(l);if(n.b<-k.b){a.i[u1.Ev(n.c,n.a)]-=n.b;a.i[u1.Ev(k.c,k.a)]+=n.b;return new u1.nv(n.c,k.c,n.a,k.a)}}}return null};u1.lu=function lu(a){if(a.d.a.length<2)return null;return new u1.mv(s1.Xh(a.d,0),s1.Xh(a.d,1))};u1.mu=function mu(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C;k=qM(cM(m1.BN,2),Q1,15,0,[qM(cM(m1.BN,1),o3,5,15,[20]),null,null,qM(cM(m1.BN,1),o3,5,15,[0,10]),null,null,qM(cM(m1.BN,1),o3,5,15,[-4,12]),qM(cM(m1.BN,1),o3,5,15,[0,0,-7.5]),null,null,null,null,qM(cM(m1.BN,1),o3,5,15,[8,-8]),null,null,null,qM(cM(m1.BN,1),o3,5,15,[-2.4])]);l=qM(cM(m1.DN,2),C3,6,0,[qM(cM(m1.DN,1),k2,5,15,[146]),qM(cM(m1.DN,1),k2,5,15,[627]),null,qM(cM(m1.DN,1),k2,5,15,[2457,1170]),null,qM(cM(m1.DN,1),k2,5,15,[2451,8643,2519]),qM(cM(m1.DN,1),k2,5,15,[9362,14798]),qM(cM(m1.DN,1),k2,5,15,[34377,-2147448999,26214]),null,qM(cM(m1.DN,1),k2,5,15,[37449,137313,95703,34371,37815,54891,132867,-2147309741,54857,55129,-2147449005,-2147449065]),null,qM(cM(m1.DN,1),k2,5,15,[530697,531819,899169,137289,694617,-2146951863,-2146952797,-2146939175,-2146929547,-2146929564,-2146625111,-2146931799,-2146940503,-2146931935]),qM(cM(m1.DN,1),k2,5,15,[1007293,610915]),qM(cM(m1.DN,1),k2,5,15,[542985,137283,2122017,530691,2206773,-2144711351,219209,2840841,137555,-2146871031,-2147264167,613705,-2145360543,-2146625271,694611,2454837,-2145356703,-2147345133,-2146928951,-2146931805,-2144641719,-2146951869,-2146625237,-2146624183,2841963,1074905,-2146625117,2799955,-2144723645,138583,859225,-2145264843,-2145216253,-2146624149,-2144700727,-2146928917,-2143905527,-2144045771,-2146789097,2288547,544407,2104323,-2146911977,-2144479405,3633737,-2146870089,-2146952169]),null,qM(cM(m1.DN,1),k2,5,15,[8487297,2172633,2116611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8829813]),qM(cM(m1.DN,1),k2,5,15,[14071213])]);s=1<<b.e.length;g=0;i=0;if(b.e.length>7){for(n=0;n<b.e.length;n++){h=u1.uu(a,c,d,n);h==1?(g+=s):h==2&&(i+=s);g>>>=1;i>>>=1}}v=b.e.length-9;if(b.e.length>=9&&b.e.length<=25&&l[v]!=null){for(C=0;C<l[v].length;C++){r=(Y1&l[v][C])==0;j=V1&l[v][C];for(p=false;!p;p=!p){if(p){if(r)break;t=0;for(e=1;e!=s;e<<=1){t<<=1;(j&e)!=0&&(t|=1)}j=t}for(w=0;w<b.e.length;w++){if((j&g)==0&&(~j&i)==0){f=0;m=0.017453292519943295*(k[v]==null?0:k[v][C]);u=0;A=j;q=true;for(o=0;o<b.e.length;o++){q&&++u;(A&1)==0&&(q=!q);A>>>=1}B=u>(b.e.length/2|0);for(n=1;n<b.e.length;n++){b.a[n]=b.a[n-1]+$wnd.Math.sin(f);b.b[n]=b.b[n-1]+$wnd.Math.cos(f);(j&1)==0&&(B=!B);f+=m+(B?s3:K4);j>>>=1}return}(j&1)!=0&&(j|=s);j>>>=1}}}}u1.pu(b,g,i)};u1.nu=function nu(a){var b,c,d,e,f,g,h,i,j,k;b=null;j=null;for(g=0;g<a.f.e;g++){if(r1.dk(a.f,g)==32){c=r1.Uj(a.f,0,g);e=-1;h=0;for(;h<a.d.a.length;h++){e=u1.Fv(s1.Xh(a.d,h),c);if(e!=-1)break}d=r1.Uj(a.f,1,g);f=-1;i=0;for(;i<a.d.a.length;i++){f=u1.Fv(s1.Xh(a.d,i),d);if(f!=-1)break}if(h!=i){if(h>i){k=h;h=i;i=k;k=e;e=f;f=k}j==null&&(j=iM(m1.EO,Q1,211,a.d.a.length,0,2));j[i]==null&&(j[i]=iM(m1.EO,{211:1,4:1,8:1},56,i,0,1));if(j[i][h])u1.kv(j[i][h],e,f);else{mM(j[i],h,new u1.nv(s1.Xh(a.d,h),s1.Xh(a.d,i),e,f));!b&&(b=new s1.ki);s1.Sh(b,j[i][h])}}}}return b};u1.ou=function ou(a){var b,c;b=J2-J2*(a.e.length-2)/a.e.length;for(c=1;c<a.e.length;c++){a.a[c]=a.a[c-1]+$wnd.Math.sin(b*(c-1));a.b[c]=a.b[c-1]+$wnd.Math.cos(b*(c-1))}};u1.pu=function pu(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;if(b==0||(b&c)!=0){u1.ou(a);return}q=-1;r=0;f=1<<a.e.length-2;e=1<<a.e.length-1;h=1;g=2;for(j=0;j<a.e.length;j++){if((c&(e|h))==0&&(b&(e|h))!=0&&(b&f)==0){o=0;(c&f)!=0&&(o+=4);(b&e)!=0&&(o+=2);(b&h)!=0&&(o+=1);if(r<o){r=o;q=j}}f=e;e=h;h=g;g=1<<(j+2<a.e.length?j+2:j+2-a.e.length)}if(q==-1){u1.ou(a);return}m=0;m|=1<<q;n=2;while(n<a.e.length-1){l=q+n<a.e.length?q+n:q+n-a.e.length;e=1<<(l==0?a.e.length-1:l-1);if((c&e)!=0){++n;continue}h=1<<l;if((b&e)!=0){if((c&h)!=0){u1.ou(a);return}m|=h;n+=2;continue}g=1<<(l+1<a.e.length?l+1:l+1-a.e.length);if((b&h)!=0&&(c&g)!=0){m|=h;n+=3;continue}++n}if(m==0){u1.ou(a);return}d=J2-J2*(a.e.length-2)/a.e.length;for(k=1;k<a.e.length;k++){a.a[k]=a.a[k-1]+$wnd.Math.sin(d*(k-1));a.b[k]=a.b[k-1]+$wnd.Math.cos(d*(k-1))}h=1;p=2*$wnd.Math.sin(d/2);for(i=0;i<a.e.length;i++){if((m&h)!=0){a.a[i]+=p*$wnd.Math.cos(d*(i-0.5));a.b[i]-=p*$wnd.Math.sin(d*(i-0.5))}h<<=1}};u1.qu=function qu(a,b){var 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;a.d==null&&(a.d=iM(m1.DN,C3,6,a.j.p,0,2));if(a.d[b]==null){n=iM(m1.DN,k2,5,a.e.length,15,1);t=iM(m1.UQ,E2,5,a.j.o,16,1);e=r1.Uj(a.j,0,b);f=r1.Uj(a.j,1,b);n[0]=e;t[e]=true;k=0;o=0;while(k<=o){for(q=0;q<r1.Cm(a.j,n[k]);q++){g=r1.Qm(a.j,n[k],q);if(!t[g]&&g!=f){n[++o]=g;t[g]=true}}if(k==o)break;++k}m=o+1>(a.e.length/2|0);if(a.i){i=false;h=false;for(q=0;q<a.e.length;q++){d=a.e[q];r1.Ek(a.j,d)&&d!=e&&d!=f&&(t[a.e[q]]?(i=true):(h=true))}i!=h&&(m=i)}j=2;a.d[b]=iM(m1.DN,k2,5,m?a.e.length-o:o+2,15,1);for(r=0;r<a.e.length;r++){a.e[r]==e?(a.d[b][m?0:1]=r):a.e[r]==f?(a.d[b][m?1:0]=r):m^t[a.e[r]]&&(a.d[b][j++]=r)}}v=a.a[a.d[b][0]];w=a.b[a.d[b][0]];u=u1.qv(v,w,a.a[a.d[b][1]],a.b[a.d[b][1]]);for(p=2;p<a.d[b].length;p++){s=a.d[b][p];l=$wnd.Math.sqrt((a.a[s]-v)*(a.a[s]-v)+(a.b[s]-w)*(a.b[s]-w));c=2*u-u1.qv(v,w,a.a[s],a.b[s]);a.a[s]=v+l*$wnd.Math.sin(c);a.b[s]=w+l*$wnd.Math.cos(c)}};u1.Bv=function Bv(a,b){return a.a[b]};u1.Cv=function Cv(a,b){return 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;o=a.a[b];s=a.b[b];f=iM(m1.FO,$1,22,4,0,1);k=0;for(l=0;l<a.f.length;l++){if(k>=4)break;if(b==a.g[r1.Uj(a.j,0,a.f[l])]||b==a.g[r1.Uj(a.j,1,a.f[l])])continue;p=a.a[a.g[r1.Uj(a.j,0,a.f[l])]];t=a.b[a.g[r1.Uj(a.j,0,a.f[l])]];q=a.a[a.g[r1.Uj(a.j,1,a.f[l])]];u=a.b[a.g[r1.Uj(a.j,1,a.f[l])]];h=$wnd.Math.sqrt((p-o)*(p-o)+(t-s)*(t-s));i=$wnd.Math.sqrt((q-o)*(q-o)+(u-s)*(u-s));e=$wnd.Math.sqrt((q-p)*(q-p)+(u-t)*(u-t));if(h<e&&i<e){if(p==q){g=$wnd.Math.abs(o-p);g<0.5&&(f[k++]=new u1.ov(u1.qv(p,s,o,s),(0.5-g)/2))}else if(t==u){g=$wnd.Math.abs(s-t);g<0.5&&(f[k++]=new u1.ov(u1.qv(o,t,o,s),(0.5-g)/2))}else{m=(u-t)/(q-p);n=-1/m;c=t-m*p;d=s-n*o;r=(d-c)/(m-n);v=m*r+c;g=$wnd.Math.sqrt((r-o)*(r-o)+(v-s)*(v-s));g<0.5&&(f[k++]=new u1.ov(u1.qv(r,v,o,s),(0.5-g)/2))}continue}if(h<0.5){f[k++]=new u1.ov(u1.qv(p,t,o,s),(0.5-h)/2);continue}if(i<0.5){f[k++]=new 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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
- function AR(a,b){var c;if(m1.oR(a)&&m1.oR(b)){c=m1.bR(m1.cR(a))-m1.bR(m1.cR(b));if($4<c&&c<Y4){return m1.hR(c)}}return m1.gR(m1.aN(m1.oR(a)?m1.BR(m1.cR(a)):m1.aR(a),m1.oR(b)?m1.BR(m1.cR(b)):m1.aR(b)))}
111
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112
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113
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114
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115
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s1.Pd;e.a=b.a;e.c=b.c;e.b=(b.a+b.b)/2;e.d=(b.c+b.d)/2;f.a=e.b;f.c=e.d;f.b=b.b;f.d=b.d;if(s1.Dd(a,e)){s1.Hd(a,a.p[c]);g=x2+o1.zT(K1.FV(K1.CV(new K1.GV(e.a),(K1.yX(),K1.uX))))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(e.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(e.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(e.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,g)}if(s1.Dd(a,f)){s1.Hd(a,a.p[d]);g=x2+o1.zT(K1.FV(K1.CV(new K1.GV(f.a),(K1.yX(),K1.uX))))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(f.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(f.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(f.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,g)}s1.Hd(a,a.P)};s1.Vc=function Vc(a,b,c,d){var e,f,g,h,i,j,k,l,m;l=(b.b-b.a)/10;m=(b.d-b.c)/10;e=new s1.Pd;if(s1.yk(a.K,s1.Om(a.K,c,d))){f=-3;g=-3}else{f=a.p[c];g=a.p[d]}s1.Hd(a,f);e.a=b.a;e.c=b.c;e.b=b.a+l*2;e.d=b.c+m*2;i=x2+o1.zT(K1.FV(K1.CV(new K1.GV(e.a),(K1.yX(),K1.uX))))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(e.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(e.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(e.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,i);e.a=b.a+l*4;e.c=b.c+m*4;e.b=b.a+l*5;e.d=b.c+m*5;j=x2+o1.zT(K1.FV(K1.CV(new K1.GV(e.a),K1.uX)))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(e.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(e.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(e.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,j);s1.Hd(a,g);e.a=b.a+l*5;e.c=b.c+m*5;e.b=b.a+l*6;e.d=b.c+m*6;k=x2+o1.zT(K1.FV(K1.CV(new K1.GV(e.a),K1.uX)))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(e.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(e.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(e.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,k);e.a=b.a+l*8;e.c=b.c+m*8;e.b=b.b;e.d=b.d;h=x2+o1.zT(K1.FV(K1.CV(new K1.GV(e.a),K1.uX)))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(e.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(e.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(e.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,h);s1.Hd(a,a.P)};s1.Wc=function Wc(a,b,c){s1.Wr(a,b-a.U/2,c-a.U/2,a.U)};s1.Xc=function Xc(a,b,c,d){var e;if(s1.yk(a.K,s1.Om(a.K,c,d))){s1.Hd(a,-3);e=x2+o1.zT(K1.FV(K1.CV(new K1.GV(b.a),(K1.yX(),K1.uX))))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(b.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(b.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(b.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,e);s1.Hd(a,a.P)}else if(a.p[c]!=a.p[d]){s1.Uc(a,b,c,d)}else if(a.p[c]!=0){s1.Hd(a,a.p[c]);e=x2+o1.zT(K1.FV(K1.CV(new K1.GV(b.a),(K1.yX(),K1.uX))))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(b.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(b.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(b.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,e);s1.Hd(a,a.P)}else{e=x2+o1.zT(K1.FV(K1.CV(new K1.GV(b.a),(K1.yX(),K1.uX))))+y2+z2+o1.zT(K1.FV(K1.CV(new K1.GV(b.c),K1.uX)))+y2+A2+o1.zT(K1.FV(K1.CV(new K1.GV(b.b),K1.uX)))+y2+B2+o1.zT(K1.FV(K1.CV(new K1.GV(b.d),K1.uX)))+y2+C2+a.d+y2+D2+a.j+E2;s1.cs(a,e)}};s1.Yc=function 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c,d;for(d=0;d<a.Z.a.length;d++)a.v=z1.dx(a.v,t1.Xh(a.Z,d));s1.ad(a,b);c=0.1*b;a.v.c-=c;a.v.d-=c;a.v.b+=2*c;a.v.a+=2*c};s1.ad=function ad(a,b){var c,d,e,f,g,h,i;e=jM(n1.VQ,F2,5,a.K.o,16,1);for(d=0;d<a.K.p;d++){if(s1.wk(a.K,d)){e[s1.Uj(a.K,0,d)]=true;e[s1.Uj(a.K,1,d)]=true}}g=new z1.ex;for(c=0;c<a.K.o;c++){f=vR(aR(s1.Kj(a.K,c),G2),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=s1.gh(a.Q,s1.Mj(a.K,c));i=s1.hh(a.Q,s1.Nj(a.K,c));z1.cx(g,h-f,i-f,f*2,f*2);a.v=z1.dx(a.v,g)}}};s1.bd=function bd(a,b){var c,d;if((a.F&4224)!=0)return a.p[b];d=s1.cd(a,b);if(d==-1){c=s1.wm(a.K,b);if(c!=-1){b=c;d=s1.cd(a,b)}}if(d==-1)return a.p[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};
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s1.pe(a,b,c);if(s1.Pj(a.P,b)!=15&&s1.Pj(a.P,b)!=16)return false}if(s1.Rm(a.P,b)<3||s1.Cm(a.P,b)>4)return false;if(s1.yj(a.P,b)>0&&s1.Pj(a.P,b)==6)return false;if(s1.Pj(a.P,b)==5&&s1.Cm(a.P,b)!=4)return false;if(a.P.I){if(vR(aR(s1.Kj(a.P,b),G2),0))return false;for(h=0;h<s1.Cm(a.P,b);h++)if(vR(aR(s1.Kj(a.P,s1.Qm(a.P,b,h)),G2),0))return false}if(s1.Pj(a.P,b)==7&&!a.Q[b])return false;o=jM(n1.EN,l2,5,4,15,1);p=jM(n1.EN,l2,5,4,15,1);k=jM(n1.VQ,F2,5,4,16,1);for(i=0;i<s1.Cm(a.P,b);i++){f=-1;e=0;for(j=0;j<s1.Cm(a.P,b);j++){if(!k[j]){if(f<a.d[s1.Qm(a.P,b,j)]){f=a.d[s1.Qm(a.P,b,j)];e=j}}}o[i]=e;p[i]=f;k[e]=true}if(s1.Cm(a.P,b)==4&&p[0]==p[1]&&p[2]==p[3])return false;if(s1.Cm(a.P,b)==4&&(p[0]==p[2]||p[1]==p[3]))return false;if(s1.Cm(a.P,b)==3&&p[0]==p[2])return false;l=0;m=0;n=false;for(g=1;g<s1.Cm(a.P,b);g++){if(p[g-1]==p[g]){if(c==1||p[g]==0)return false;l=s1.Qm(a.P,b,o[g-1]);m=s1.Qm(a.P,b,o[g]);c==3&&s1.Vn(a.P,s1.Sm(a.P,b,o[g]))&&(a.U[b]=true);n=true}}if(c!=1&&!n)return 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b,c,d,e,f,g,h,i,j,k,l,m;if(a.v)return;a.v=new t1.ki;k=0;l=jM(n1.EN,l2,5,a.P.d,15,1);g=jM(n1.EN,l2,5,a.P.d,15,1);i=jM(n1.EN,l2,5,a.P.e,15,1);for(b=0;b<a.P.d;b++){if(l[b]==0&&(s1.Un(a.P,b)||s1.Hm(a.P,b)==1)){g[0]=b;h=1;j=0;l[b]=++k;c=jM(n1.VQ,F2,5,a.P.e,16,1);for(f=0;f<h;f++){for(m=0;m<s1.Rm(a.P,g[f]);m++){e=s1.Sm(a.P,g[f],m);if(s1.Vn(a.P,e)||s1.ak(a.P,e)==2||s1.Jn(a.P,e)){d=s1.Qm(a.P,g[f],m);if(!c[e]){i[j++]=e;c[e]=true}if(l[d]==0){g[h++]=d;l[d]=k}}}}t1.Sh(a.v,new s1.jg(g,h,i,j))}}};s1.Fe=function Fe(a){var b;a.Q=jM(n1.VQ,F2,5,a.P.d,16,1);for(b=0;b<a.P.d;b++){if(s1.Pj(a.P,b)==7){if(s1.Rm(a.P,b)==4){a.Q[b]=true;continue}if(s1.Rm(a.P,b)==3){if(s1.Lm(a.P,b)==3){a.Q[b]=true;continue}if(s1.yj(a.P,b)==1){a.Q[b]=true;continue}if(s1.On(a.P,b,true))continue;if((a.O&32)!=0){a.Q[b]=true;continue}if(s1.Tn(a.P,b)){a.Q[b]=true;continue}}}}};s1.Ge=function Ge(a,b){var c,d,e,f;e=false;for(d=0;d<a.P.e;d++)if(s1.ve(a,d,1)){a.o[d]=a.J;b&&s1.Ve(a,d);e=true}f=false;for(c=0;c<a.P.d;c++)if(s1.Ae(a,c,1)){a.gb[c]=a.J;b&&s1.We(a,c);f=true}f&&(a.J=!a.J);return e||f};s1.He=function He(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B;s=jM(n1.VQ,F2,5,a.P.d,16,1);t=jM(n1.VQ,F2,5,a.P.e,16,1);b=0;v=false;if((a.O&128)!=0){a.W=jM(n1.EN,l2,5,a.P.d,15,1);a.V=jM(n1.EN,l2,5,a.P.e,15,1)}for(d=0;d<a.P.d;d++){if(a.U[d]){if(!a.db[d]){if(s1.Ae(a,d,1)){a.db[d]=true;s[d]=true;++b}}}}for(f=0;f<a.P.e;f++){if(a.T[f]){if(!a.n[f]){if(s1.ve(a,f,1)){a.n[f]=true;t[f]=true;++b}}}}if(b==1){for(c=0;c<a.P.d;c++){if(s[c]){a.bb[c]=0;break}}for(e=0;e<a.P.e;e++){if(t[e]){a.k[e]=0;break}}}else if(b>1){s1.Ee(a);a.R=0;for(h=new 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b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;if(a.P.d==0)return;if(a.D)return;a.G=0;v=0;for(c=1;c<a.P.d;c++)a.d[c]>a.d[v]&&(v=c);d=jM(n1.VQ,F2,5,a.P.d,16,1);g=jM(n1.VQ,F2,5,a.P.e,16,1);a.F=jM(n1.EN,l2,5,a.P.d,15,1);a.w=jM(n1.EN,l2,5,a.P.d,15,1);a.C=jM(n1.EN,l2,5,a.P.d,15,1);a.A=jM(n1.EN,l2,5,a.P.e,15,1);a.w[0]=v;a.F[v]=0;d[v]=true;e=1;i=0;j=1;k=0;while(i<a.P.d){if(i<j){while(true){o=0;p=0;m=-1;b=a.w[i];for(q=0;q<s1.Dm(a.P,b);q++){if(q<s1.Rm(a.P,b)||q>=s1.Cm(a.P,b)){h=s1.Qm(a.P,b,q);if(!d[h]&&a.d[h]>m){o=h;p=s1.Sm(a.P,b,q);m=a.d[h]}}}if(m==-1)break;a.F[o]=j;a.C[j]=i;a.w[j++]=o;a.A[k++]=p;d[o]=true;g[p]=true}++i}else{n=0;m=-1;for(b=0;b<a.P.d;b++){if(!d[b]&&a.d[b]>m){n=b;m=a.d[b]}}++e;a.F[n]=j;a.C[j]=-1;a.w[j++]=n;d[n]=true}}a.B=jM(n1.EN,l2,5,2*(a.P.e-k),15,1);while(true){s=a.P.K;t=a.P.K;u=-1;for(f=0;f<a.P.e;f++){if(!g[f]){if(a.F[s1.Uj(a.P,0,f)]<a.F[s1.Uj(a.P,1,f)]){r=a.F[s1.Uj(a.P,0,f)];l=a.F[s1.Uj(a.P,1,f)]}else{r=a.F[s1.Uj(a.P,1,f)];l=a.F[s1.Uj(a.P,0,f)]}if(r<s||r==s&&l<t){s=r;t=l;u=f}}}if(u==-1)break;g[u]=true;a.A[k++]=u;a.B[2*a.G]=s;a.B[2*a.G+1]=t;++a.G}a.D=true};s1.nf=function 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b,c,d;d=false;for(b=0;b<a.o;b++){if(a.A[b]==-1){d=true;s1.Wk(a,a.u[b])}}for(c=0;c<a.p;c++){if(a.F[c]==512){d=true}else if(a.A[a.B[0][c]]==-1||a.A[a.B[1][c]]==-1){a.F[c]=512;d=true}}if(d){a.R=0;return s1.hj(a)}return null};s1.tj=function tj(a){var b,c;c=false;for(b=0;b<a.o;b++){if((a.s[b]&512)!=0){a.A[b]=-1;c=true}}return c&&s1.sj(a)!=null};s1.uj=function uj(a,b,c){var d,e,f,g,h,i,j,k;g=-1;e=s1.Rj(a,a.o,a.p,s1.Qi);h=T3;i=e*e/12;for(d=0;d<a.o;d++){j=a.H[d].a;k=a.H[d].b;f=(b-j)*(b-j)+(c-k)*(c-k);if(f<i&&f<h){h=f;g=d}}return g};s1.vj=function vj(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;m=-1;o=s1.Rj(a,a.o,a.p,s1.Qi);n=T3;for(d=0;d<a.p;d++){p=a.H[a.B[0][d]].a;r=a.H[a.B[0][d]].b;q=a.H[a.B[1][d]].a;s=a.H[a.B[1][d]].b;k=q-p;l=s-r;e=$wnd.Math.sqrt(k*k+l*l);f=(p+q)/2;g=(r+s)/2;k=b-f;l=c-g;if($wnd.Math.sqrt(k*k+l*l)>e/2)continue;if(q==p)j=$wnd.Math.abs(p-b);else{h=(s-r)/(p-q);i=-h*p-r;j=$wnd.Math.abs((h*b+c+i)/$wnd.Math.sqrt(h*h+1))}if(j<o&&j<n){n=j;m=d}}return m};s1.wj=function wj(a,b){return 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a.H[b].a};s1.Nj=function Nj(a,b){return a.H[b].b};s1.Oj=function Oj(a,b){return a.H[b].c};s1.Pj=function Pj(a,b){return a.A[b]};s1.Qj=function Qj(a){return s1.Rj(a,a.o,a.p,s1.Qi)};s1.Rj=function Rj(a,b,c,d){return s1.Sj(a,b,c,d,a.H)};s1.Sj=function Sj(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o;l=false;m=0;for(j=0;j<c;j++)a.F[j]!=32&&(a.D[j]&r3)==0&&++m;if(m==0){for(k=0;k<c;k++)(a.D[k]&r3)==0&&++m;l=true}if(m==0){if(b<2)return d;o=T3;for(f=1;f<b;f++){for(g=0;g<f;g++){n=s1.Tg(e[f],e[g]);n>0&&n<o&&(o=n)}}return o!=T3?0.6*o:d}h=0;for(i=0;i<c;i++){(l||a.F[i]!=32)&&(a.D[i]&r3)==0&&(h+=s1.Tg(e[a.B[1][i]],e[a.B[0][i]]))}return h/m};s1.Tj=function Tj(a,b,c){return s1.fm(a.H[b].a,a.H[b].b,a.H[c].a,a.H[c].b)};s1.Uj=function Uj(a,b,c){return a.B[b][c]};s1.Vj=function Vj(a,b){return ((a.D[b]&7680)>>9)+((a.D[b]&122880)>>13)};s1.Wj=function Wj(a,b){return (a.D[b]&7680)>>9};s1.Xj=function Xj(a,b){return (a.C[b]&48)>>4};s1.Yj=function Yj(a,b){return 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null;d=a.H[0].a;f=a.H[0].b;e=a.H[0].a;g=a.H[0].b;for(c=1;c<a.o;c++){d>a.H[c].a?(d=a.H[c].a):e<a.H[c].a&&(e=a.H[c].a);f>a.H[c].b?(f=a.H[c].b):g<a.H[c].b&&(g=a.H[c].b)}if(!b){b=new z1.fx(d,f,e-d,g-f)}else{b.c=d;b.d=f;b.b=e-d;b.a=g-f}return b};s1.gk=function gk(a,b){var c;c=a.A[b]<s1.Mi.length?s1.Mi[a.A[b]]:null;return c==null?6:c[c.length-1]};s1.hk=function hk(a,b,c){return s1.ik(a,b,c,a.A[b])};s1.ik=function ik(a,b,c,d){var e,f;if(d>=171&&d<=190)return 0;f=0;(a.s[b]&48)==32&&(f-=1);((a.s[b]&48)==16||(a.s[b]&48)==48)&&(f-=2);e=a.q[b];if(e==0&&a.I){kR(aR(a.w[b],T2),W2)&&(e=-1);kR(aR(a.w[b],T2),V2)&&(e=1)}d==7||d==8||d==9?(f+=e):d==6||d==14||d==32?(f-=$wnd.Math.abs(e)):d==15||d==33?c-f-e<=3?(f+=e):(f-=e):d==16||d==34||d==52?c-f-e<=4?(f+=e):(f-=$wnd.Math.abs(e)):d==17||d==35||d==53?c-f-e<=5?(f+=e):(f-=$wnd.Math.abs(e)):(f-=e);return f};s1.jk=function jk(a,b){var c;c=s1.kk(a,b);return c+s1.ik(a,b,c,a.A[b])};s1.kk=function kk(a,b){var c,d;c=((a.s[b]&Q3)>>>27)-1;c==-1&&(c=(d=a.A[b]<s1.Mi.length?s1.Mi[a.A[b]]:null,d==null?6:d[d.length-1]));return c};s1.lk=function lk(a,b){var c,d,e,f,g;f=s1.Nk(a,a.B[0][b])||s1.Nk(a,a.B[1][b])?5:3;for(d=0;d<2;d++){c=a.B[d][b];e=s1.ak(a,b)+(g=s1.kk(a,c),g+s1.ik(a,c,g,a.A[c]))-s1.kn(a,c);f>e&&(f=e)}return f};s1.mk=function mk(a,b){return (a.s[b]&c2)!=0};s1.nk=function nk(a,b){var c,d,e;d=s1.lk(a,b);c=s1.Fk(a,a.B[0][b])||s1.Fk(a,a.B[1][b]);e=c?32:1;if(a.F[b]==16){a.F[b]=e;a.R=0;return true}if(a.F[b]==8){a.F[b]=d>4?16:e;a.R=0;return true}if(a.F[b]==4){a.F[b]=d>3?8:e;a.R=0;return true}if(a.F[b]==2){a.F[b]=386;a.R&=7;if((a.C[b]&128)==0)return true}if(a.F[b]==386){d>2?(a.F[b]=4):(a.F[b]=e);a.R=0;return true}if((384&a.F[b])!=0){a.F[b]=1;a.R&=7;return true}if(!c&&d<2)return false;if(a.F[b]==1){a.F[b]=2;a.R=0;return true}if(d<1)return false;if(a.F[b]==32){a.F[b]=1;a.R=0;return true}return false};s1.ok=function ok(a){var b;a.R=0;a.A=jM(n1.EN,l2,5,a.K,15,1);a.q=jM(n1.EN,l2,5,a.K,15,1);a.u=jM(n1.EN,l2,5,a.K,15,1);a.H=jM(n1.WN,U3,36,a.K,0,1);for(b=0;b<a.K;b++)a.H[b]=new s1.Xg;a.v=jM(n1.EN,l2,5,a.K,15,1);a.s=jM(n1.EN,l2,5,a.K,15,1);a.w=jM(n1.FN,F3,5,a.K,14,1);a.t=null;a.r=null;a.B=hM(n1.EN,[D3,l2],[6,5],15,[2,a.L],2);a.F=jM(n1.EN,l2,5,a.L,15,1);a.C=jM(n1.EN,l2,5,a.L,15,1);a.D=jM(n1.EN,l2,5,a.L,15,1)};s1.pk=function pk(a,b){a.R&=~b};s1.qk=function qk(a){var b;for(b=0;b<a.o;b++)if(a.H[b].c!=0)return true;return false};s1.rk=function rk(a,b){return (a.s[b]&V3)!=0};s1.sk=function sk(a,b){return a.A[b]==-1};s1.tk=function tk(a,b){return (a.s[b]&4)!=0};s1.uk=function uk(a,b){return (a.s[b]&W3)!=0};s1.vk=function vk(a,b){return a.u[b]<0};s1.wk=function wk(a,b){return (a.C[b]&X3)!=0};s1.xk=function xk(a,b){return (a.D[b]&r3)!=0};s1.yk=function yk(a,b){return (a.C[b]&c2)!=0};s1.zk=function zk(a,b){return a.F[b]==512};s1.Ak=function Ak(a,b){return (a.C[b]&4)!=0};s1.Bk=function Bk(a,b){return (a.C[b]&H3)!=0};s1.Ck=function Ck(a,b){var c,d,e,f;if(a.I){if(vR(aR(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(!s1.im(c))return false}}return s1.im(a.A[b])};s1.Dk=function Dk(a,b){var c,d,e,f;if(a.I){if(vR(aR(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(!s1.jm(c))return false}}return s1.jm(a.A[b])};s1.Ek=function Ek(a,b){return (a.s[b]&H3)!=0};s1.Fk=function Fk(a,b){var c,d,e,f;if(a.I){if(vR(aR(a.w[b],1),0))return false;if(a.t!=null&&a.t[b]!=null)for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];if(!(c>=3&&c<=4||c>=11&&c<=13||c>=19&&c<=31||c>=37&&c<=51||c>=55&&c<=84||c>=87&&c<=112))return false}}return s1.km(a.A[b])};s1.Gk=function Gk(a,b){return a.v[b]==0};s1.Hk=function Hk(a,b){var c,d,e,f;if(a.I){if(vR(aR(a.w[b],1),0))return false;if(a.t!=null&&a.t[b]!=null)for(d=a.t[b],e=0,f=d.length;e<f;++e){c=d[e];if(!(c==1||c>=5&&c<=9||c>=14&&c<=17||c>=32&&c<=35||c>=52&&c<=53))return false}}return s1.lm(a.A[b])};s1.Ik=function Ik(a){var b;for(b=0;b<a.o;b++){switch(a.A[b]){case 1:case 5:case 6:case 7:case 8:case 9:case 14:case 15:case 16:case 17:case 33:case 34:case 35:case 52:case 53:continue;default:return false;}}return true};s1.Jk=function Jk(a,b){return (a.s[b]&512)!=0};s1.Kk=function Kk(a,b){return (a.s[a.B[0][b]]&a.s[a.B[1][b]]&512)!=0};s1.Lk=function Lk(a,b){return a.F[b]==257||a.F[b]==129};s1.Mk=function Mk(a,b,c){return (a.F[b]==257||a.F[b]==129)&&a.B[0][b]==c};s1.Nk=function Nk(a,b){var c,d,e,f;if(a.I){if(vR(aR(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 s1.mm(a.A[b])};s1.Ok=function Ok(a,b){a.A[b]=-1};s1.Pk=function Pk(a,b){a.F[b]=512};s1.Qk=function Qk(a,b,c,d,e,f,g,h){var 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b;for(b=0;b<a.o;b++)a.s[b]&=-449};s1.Tk=function Tk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-131073};s1.Uk=function Uk(a){var b;for(b=0;b<a.o;b++)a.s[b]&=-513};s1.Vk=function Vk(a){var b;for(b=0;b<a.p;b++)a.C[b]&=-98305};s1.Wk=function Wk(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)};s1.Xk=function Xk(a){var b,c,d,e;e=false;for(c=0;c<a.o;c++){if(vR(aR(a.w[c],G2),0)){a.A[c]=-1;e=true}}e&&s1.sj(a);if(a.t!=null){a.t=null;e=true}for(b=0;b<a.o;b++){if(vR(a.w[b],0)){a.w[b]=0;e=true}}for(d=0;d<a.p;d++){if(a.D[d]!=0){a.D[d]=0;e=true}if(a.F[d]==64){a.F[d]=1;e=true}}e&&(a.R=0);return e};s1.Yk=function Yk(a,b){var c,d,e,f,g,h,i,j,k;if(b==0)return 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g;if((b&32)!=0)if(o1.EU(a,s1.Li[153]))return 153;if((b&8)!=0)if(o1.EU(a,s1.Li[154]))return 154;if((b&16)!=0)if(o1.EU(a,s1.Li[145]))return 145;if((b&128)!=0)if(o1.EU(a,s1.Li[159]))return 159;if((b&64)!=0)for(c=171;c<=190;c++)if(o1.EU(a,s1.Li[c]))return c;return 0};s1.im=function im(a){s1.Ri();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};s1.jm=function jm(a){s1.Ri();if(a==1||a==6)return false;if(s1.im(a))return false;if(a==2||a==10||a==18||a==36||a==54)return false;if(a>103)return false;return true};s1.km=function km(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};s1.lm=function lm(a){return a==1||a>=5&&a<=9||a>=14&&a<=17||a>=32&&a<=35||a>=52&&a<=53};s1.mm=function mm(a){return a>=21&&a<=30||a>=39&&a<=48||a==57||a>=72&&a<=80||a==89||a>=104&&a<=112};QR(63,1,{63:1,4:1});_.ub=function $l(a){s1.mj(this,a)};_.vb=function nm(a){return 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b,c,d,e,f,g,h,i,j,k,l,m;a.g=jM(n1.EN,l2,5,a.o,15,1);a.c=jM(n1.EN,l2,5,a.o,15,1);a.f=jM(n1.EN,D3,6,a.o,0,2);a.i=jM(n1.EN,D3,6,a.o,0,2);a.j=jM(n1.EN,D3,6,a.o,0,2);a.k=jM(n1.EN,l2,5,a.d,15,1);j=jM(n1.EN,l2,5,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]=jM(n1.EN,l2,5,j[d],15,1);a.i[d]=jM(n1.EN,l2,5,j[d],15,1);a.j[d]=jM(n1.EN,l2,5,j[d],15,1)}l=false;for(h=0;h<a.e;h++){m=s1.ak(a,h);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][h];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][h];a.i[c][b]=h;++a.c[c];++a.g[c];c<a.d&&(m>1?(a.k[c]+=m-1):a.F[h]==64&&(a.k[c]=1))}}for(i=a.e;i<a.p;i++){m=s1.ak(a,i);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.B[k][i];b=a.c[c];a.j[c][b]=m;a.f[c][b]=a.B[1-k][i];a.i[c][b]=i;++a.c[c];a.B[1-k][i]<a.d&&++a.g[c]}}if(l){b=jM(n1.EN,l2,5,a.o,15,1);for(e=0;e<a.o;e++)b[e]=a.c[e];for(f=0;f<a.p;f++){m=s1.ak(a,f);if(m==0){for(k=0;k<2;k++){c=a.B[k][f];a.j[c][b[c]]=m;a.f[c][b[c]]=a.B[1-k][f];a.i[c][b[c]]=f;++b[c]}}}}};s1.qm=function qm(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;s1.Ys(a,1);c&&(b=true);for(i=0;i<a.p;i++){j=s1.ak(a,i);if(j==1||j==2){if(a.q[a.B[0][i]]>0&&a.q[a.B[1][i]]<0){f=a.B[0][i];g=a.B[1][i]}else if(a.q[a.B[0][i]]<0&&a.q[a.B[1][i]]>0){f=a.B[1][i];g=a.B[0][i]}else continue;if(s1.Fk(a,f)||s1.Fk(a,g))continue;if(a.A[f]<9&&s1.kn(a,f)>3||a.A[g]<9&&s1.kn(a,g)>3)continue;l=s1.dn(a,f)!=0;a.q[f]-=1;a.q[g]+=1;if(!l){s=a.F[i];j==1?(a.F[i]=2):(a.F[i]=4);if(s==129||s==257){w=a.B[0][i];r=s1.co(a,w,false);if(a.B[0][r]!=w){a.B[1][r]=a.B[0][r];a.B[1][r]=w}}}a.R=0}}t=0;p=0;n=0;for(e=0;e<a.o;e++){t+=a.q[e];if(a.q[e]<0&&!s1.Dn(a,e)){++p;s1.Ck(a,e)&&(n-=a.q[e])}}if(!b&&t!=0)throw $Q(new o1.jK("molecule's overall charges are not balanced"));s1.Ys(a,1);u=0;v=c?t+n:n;for(h=0;h<a.o;h++){if(a.q[h]>0){if(!s1.Cn(a,h)&&s1.Ck(a,h)){k=$wnd.Math.min(s1.dn(a,h),a.q[h]);if(k!=0&&v>=k){t-=k;u-=k;v-=k;a.q[h]-=k;a.R&=1}}}}q=c?t:u;if(q<0){o=jM(n1.EN,l2,5,p,15,1);p=0;for(f=0;f<a.o;f++){a.q[f]<0&&!s1.Dn(a,f)&&(o[p++]=(a.A[f]<<22)+f)}r1.H0(o,r1.i1(TR(t1.l$.prototype.bc,t1.l$,[])));for(m=o.length-1;q<0&&m>=o.length-p;m--){d=o[m]&_3;if(s1.Ck(a,d)){k=$wnd.Math.min(-q,-a.q[d]);t+=k;q+=k;a.q[d]+=k;a.R&=1}}}return t};s1.rm=function rm(a){var b,c,d,e,f,g,h,i,j,k,l,m,n;if(!a.I)return false;for(c=0;c<a.o;c++){n=s1.kk(a,c);n+s1.ik(a,c,n,a.A[c])-s1.kn(a,c)<=0&&!(a.q[c]==0&&(a.A[c]==5||(e=a.A[c],e==7||e==15||e==33)||(d=a.A[c],d==8||d==16||d==34||d==52)))&&(a.w[c]=aR(a.w[c],-6145))}g=false;for(b=0;b<a.d;b++){h=a.c[b]-a.g[b];if(!a.Q&&h>0){if(kR(aR(a.w[b],o3),0)){k=kR(aR(a.w[b],R2),896)?3:kR(aR(a.w[b],R2),384)?2:kR(aR(a.w[b],128),128)?1:0;i=(n=s1.kk(a,b),n+s1.ik(a,b,n,a.A[b])-s1.kn(a,b));a.q[b]==0&&kR(aR(a.w[b],T2),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:yR(aR(a.w[b],R2),l);m=xR(m,n1.iR((l==3?7:h==2?3:1)<<7));a.w[b]=aR(a.w[b],-1921);a.w[b]=xR(a.w[b],aR(R2,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&&s1.hj(a);return g};s1.sm=function sm(a,b){var c,d,e,f;if(a.k[b]==2&&a.g[b]==2&&a.j[b][0]==2){for(e=0;e<2;e++){c=s1.xm(a,b,a.f[b][e]);if(c!=-1){for(f=0;f<a.g[c];f++){d=a.i[c][f];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==c&&(a.F[a.i[c][f]]=1)}}}return}if(a.k[b]==0||a.A[b]>=15){for(e=0;e<a.c[b];e++){d=a.i[b][e];(a.F[d]==257||a.F[d]==129)&&a.B[0][d]==b&&a.B[0][d]==b&&(a.F[d]=1)}}};s1.tm=function tm(a,b,c,d,e){var f,g,h,i,j,k,l,m;s1.Ys(a,d?7:1);b.t=null;a.I&&s1.Hl(b,true);i=c.length;e==null&&(e=jM(n1.EN,l2,5,i,15,1));b.o=0;for(f=0;f<i;f++){if(c[f]){e[f]=s1.ij(a,b,f,0,0);if(a.A[f]==1){m=s1.kn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.f[f][l]]){s1.al(b,e[f],m);break}}}}}else{e[f]=-1}}k=jM(n1.EN,l2,5,a.p,15,1);t1.VZ(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]=s1.jj(a,b,j,0,0,e==null?a.B[0][j]:e[a.B[0][j]],e==null?a.B[1][j]:e[a.B[1][j]],d);else if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){c[g]&&(b.q[e[g]]+=a.q[g]<0?1:-1);c[h]&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}s1.mj(a,b);!!a.b&&(b.R=0);b.R=0;s1.Yk(b,1);s1.Yk(b,2);b.o!=i&&s1.Hl(b,true);s1.go(a,b,i,e,k);s1.fo(a,b,i,e);d&&s1._d(new s1.je(b),null,false)};s1.um=function um(a,b,c,d,e){var f,g,h,i,j,k,l,m;s1.Ys(a,d?7:1);b.t=null;a.I&&s1.Hl(b,true);e==null&&(e=jM(n1.EN,l2,5,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]=s1.ij(a,b,f,0,0);if(a.A[f]==1){m=s1.kn(a,f);if(m>1){for(l=0;l<a.c[f];l++){if(!c[a.i[f][l]]){s1.al(b,e[f],m);break}}}}break}}}j=jM(n1.EN,l2,5,a.p,15,1);b.p=0;for(i=0;i<a.p;i++)if(c[i]){j[i]=s1.jj(a,b,i,0,0,e==null?a.B[0][i]:e[a.B[0][i]],e==null?a.B[1][i]:e[a.B[1][i]],d)}else{j[i]=-1;g=a.B[0][i];h=a.B[1][i];if(e[g]==-1^e[h]==-1){if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){e[g]!=-1&&(b.q[e[g]]+=a.q[g]<0?1:-1);e[h]!=-1&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}s1.mj(a,b);!!a.b&&(b.R=0);b.R=0;s1.Yk(b,1);s1.Yk(b,2);b.o!=a.o&&s1.Hl(b,true);s1.go(a,b,a.o,e,j);s1.fo(a,b,a.o,e);d&&s1._d(new s1.je(b),null,false);return e};s1.vm=function vm(a,b){var c,d,e,f,g,h,i,j,k,l;if((b&~a.R)==0)return;if((a.R&1)==0){s1.Bn(a);s1.pm(a);a.R|=1;if(s1.rm(a)){s1.Bn(a);s1.pm(a)}}if((b&~a.R)==0)return;if((a.R&-7)!=0){for(d=0;d<a.d;d++)a.s[d]&=-15369;for(f=0;f<a.e;f++)a.C[f]&=-705;if((b&4)==0){s1.Am(a,1);a.R|=2;return}s1.Am(a,7);for(e=0;e<a.d;e++){for(k=0;k<a.g[e];k++){i=a.i[e][k];if(i<a.e&&s1.Hq(a.n,i))continue;h=a.f[e][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]==i)continue;a.j[h][l]>1&&(a.A[a.f[h][l]]==6?(a.s[e]|=N2):!s1.In(a,a.i[h][l])&&s1.Ck(a,a.f[h][l])&&(a.s[e]|=n3))}}}while(true){j=false;for(c=0;c<a.d;c++){if(a.k[c]>0&&(a.s[c]&n3)!=0&&!s1.Gq(a.n,c)){for(k=0;k<a.g[c];k++){if(a.j[c][k]>1){h=a.f[c][k];i=a.i[c][k];for(l=0;l<a.g[h];l++){if(a.i[h][l]!=i){g=a.f[h][l];if((a.s[g]&n3)==0){a.s[g]|=n3;j=true}}}}}}}if(!j)break}}a.R|=6};s1.wm=function wm(a,b){var c,d,e,f,g;c=-1;if(a.k[b]==1){for(f=0;f<a.g[b];f++){if(a.j[b][f]==2){d=a.f[b][f];if(a.g[d]==2&&a.k[d]==2){for(g=0;g<2;g++){e=a.f[d][g];if(e!=b&&a.k[e]==1){c=d;break}}}break}}}return c};s1.xm=function xm(a,b,c){var d,e;d=b;while(a.g[c]==2&&a.k[c]==2&&c!=d){e=c;c=a.f[c][0]==b?a.f[c][1]:a.f[c][0];b=e}return c==d?-1:c};s1.ym=function ym(a,b){var c;if(a.g[b]==3&&b<a.d&&s1.Gq(a.n,b)&&(!!a.n&&b<a.d?s1.vq(a.n,b):0)>=5)for(c=0;c<a.g[b];c++)if(s1.Jn(a,a.i[b][c]))return a.i[b][c];return -1};s1.zm=function zm(a,b,c,d,e){var f,g,h,i,j,k;s1.Ys(a,7);if((a.s[b]&a4)==0||c&&!(b<a.d&&s1.Gq(a.n,b)))return;i=jM(n1.EN,l2,5,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&&s1.Hq(a.n,g))){e[g]=true;f=a.f[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};s1.Am=function Am(a,b){var c,d,e,f,g,h,i,j;a.n=new s1.Uq(a,b);d=jM(n1.EN,l2,5,a.d,15,1);for(e=0;e<a.e;e++){if(s1.xq(a.n,e)!=0){a.C[e]|=64;++d[a.B[0][e]];++d[a.B[1][e]]}}for(c=0;c<a.d;c++){d[c]==2?(a.s[c]|=S2):d[c]==3?(a.s[c]|=o3):d[c]>3&&(a.s[c]|=a4)}for(j=0;j<a.n.i.a.length;j++){g=s1.zq(a.n,j);i=s1.Aq(a.n,j);h=g.length;for(f=0;f<h;f++){a.s[g[f]]|=8;a.C[i[f]]|=128;a.F[i[f]]==386&&(a.F[i[f]]=2)}}};s1.Bm=function Bm(a){var b,c,d,e,f,g,h,i;h=jM(n1.VQ,F2,5,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]&Q3)==0&&(a.r==null||a.r[c]==null);i=jM(n1.VQ,F2,5,a.o,16,1);for(g=0;g<a.p;g++){d=a.B[0][g];e=a.B[1][g];if(s1.ak(a,g)!=1){h[d]=false;h[e]=false;continue}i[d]&&(h[d]=false);i[e]&&(h[e]=false);h[d]&&s1.Fk(a,e)&&a.A[e]!=13&&(h[d]=false);h[e]&&s1.Fk(a,d)&&a.A[d]!=13&&(h[e]=false);i[d]=true;i[e]=true}for(f=0;f<a.p;f++){if(h[a.B[0][f]]&&h[a.B[1][f]]){h[a.B[0][f]]=false;h[a.B[1][f]]=false}}for(b=0;b<a.o;b++)i[b]||(h[b]=false);return h};s1.Cm=function Cm(a,b){return a.c[b]};s1.Dm=function Dm(a,b){return 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;s1.sm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){s1.ho(a,b);return}if(a.g[b]<3||a.g[b]>4){s1.nl(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(s1.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=s1.vn(a,b);d=jM(n1.CN,p3,5,c,15,1);for(h=0;h<c;h++)d[h]=s1.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&s1.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?s1.vq(a.n,b):0)<=24&&s1.io(a,b,p,d))return;m=s1.co(a,b,true);if(m==-1)return;if(a.B[0][m]!=b){a.B[1][m]=a.B[0][m];a.B[0][m]=b}n=-1;for(j=0;j<c;j++){if(m==a.i[b][p[j]]){n=j;break}}q=rM(dM(n1.EN,2),D3,6,0,[rM(dM(n1.EN,1),l2,5,15,[2,1,2,1]),rM(dM(n1.EN,1),l2,5,15,[1,2,2,1]),rM(dM(n1.EN,1),l2,5,15,[1,1,2,2]),rM(dM(n1.EN,1),l2,5,15,[2,1,1,2]),rM(dM(n1.EN,1),l2,5,15,[2,2,1,1]),rM(dM(n1.EN,1),l2,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=J2);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<K2||d[1]>d[2]&&d[1]-d[2]>K2;break;case 1:k=d[2]-d[0]>K2;break;case 2:k=d[1]-d[0]<K2;}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};s1.lo=function lo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if((a.C[b]&3)==0||(a.C[b]&3)==3||!s1.Jn(a,b))return;v=-1;t=-1;u=-1;s=-1;e=0;for(l=0;l<2;l++){d=a.B[l][b];for(o=0;o<a.c[d];o++){h=a.i[d][o];if(h!=b&&s1.ak(a,h)==1){g=a.f[d][o];w=s1.xn(a,h,g);if(e<w){e=w;t=g;v=h;u=d;s=a.B[1-l][b]}}}}if(t==-1)return;for(m=0;m<2;m++){for(o=0;o<a.c[a.B[m][b]];o++){h=a.i[a.B[m][b]][o];h!=b&&s1.ak(a,h)==1&&(a.F[h]=1)}}if(a.B[1][v]!=t){a.B[0][v]=a.B[1][v];a.B[1][v]=t}i=W1;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=jM(n1.EN,l2,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=s1.fm(a.H[u].a,a.H[u].b,a.H[s].a,a.H[s].b);c=0;if(r==2){if(q[0]>q[1]){A=q[0];q[0]=q[1];q[1]=A}j=s1.gm(f,s1.Tj(a,s,q[0]));p=s1.gm(f,s1.Tj(a,s,q[1]));c=j-p}else{c=s1.gm(f,s1.Tj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};s1.mo=function mo(a){var b,c,d,e;s1.Ys(a,7);for(d=0;d<a.e;d++)(a.F[d]==257||a.F[d]==129)&&(a.F[d]=1);for(b=0;b<a.d;b++)s1.ko(a,b);for(e=0;e<a.e;e++)s1.lo(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};s1.no=function no(b,c){var d,e,f,g,h,i,j,k,l,m;i=jM(n1.EN,l2,5,b.o,15,1);h=s1.$m(b,i,false,c);if(h<=1)return null;j=jM(n1.EN,l2,5,h,15,1);for(e=0;e<b.d;e++)++j[i[e]];l=0;m=j[0];for(k=1;k<h;k++){if(m<j[k]){m=j[k];l=k}}for(d=0;d<b.o;d++)i[d]!=l&&(b.A[d]=-1);for(g=0;g<b.p;g++)(!c&&b.F[g]==32||i[b.B[0][g]]!=l)&&(b.F[g]=512);f=s1.hj(b);b.R=0;try{s1.qm(b,true,true)}catch(a){a=ZQ(a);if(!qN(a,13))throw $Q(a)}return f};s1.oo=function oo(a,b){if((a.s[b]&Q3)!=0)return true;if(a.A[b]==1)return false;return s1.Hk(a,b)||a.A[b]==13||a.A[b]>=171};s1.po=function po(a){var b,c,d,e,f,g,h,i,j,k;f=s1.Rj(a,a.o,a.p,s1.Qi);g=f*f/16;for(d=1;d<a.o;d++){for(e=0;e<d;e++){i=a.H[e].a-a.H[d].a;j=a.H[e].b-a.H[d].b;k=a.H[e].c-a.H[d].c;if(i*i+j*j+k*k<g)throw $Q(new o1.jK('The distance between two atoms is too close.'))}}s1.Ys(a,1);b=0;for(c=0;c<a.d;c++){if(s1.kn(a,c)>(h=s1.kk(a,c),h+s1.ik(a,c,h,a.A[c])))throw $Q(new o1.jK('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw $Q(new o1.jK('unbalanced atom charge'))};s1.qo=function qo(a){var b,c;if(!a.I)return;s1.Ys(a,7);for(b=0;b<a.d;b++){if((a.s[b]&a4)!=0){kR(aR(a.w[b],120),8)&&(a.w[b]=aR(a.w[b],-9));a.w[b]=aR(a.w[b],-4294967297)}b<a.d&&s1.Gq(a.n,b)?(a.w[b]=aR(a.w[b],{l:4194297,m:_3,h:1048571})):vR(aR(a.w[b],2),0)&&(a.w[b]=aR(a.w[b],-5));(vR(aR(a.w[b],l3),0)||vR(aR(a.w[b],p2),0)&&kR(aR(a.w[b],q2),0))&&kR(aR(a.w[b],120),8)&&(a.w[b]=aR(a.w[b],-9));a.q[b]!=0&&(a.w[b]=aR(a.w[b],-234881025));if(s1.kn(a,b)==(c=s1.kk(a,b),c+s1.ik(a,b,c,a.A[b]))){a.w[b]=aR(a.w[b],-4063233);a.w[b]=aR(a.w[b],-17042430230529);a.w[b]=aR(a.w[b],-1921);a.w[b]=aR(a.w[b],-114689)}}};s1.ro=function ro(a){var b,c;if(!a.I)return;s1.Ys(a,7);for(b=0;b<a.e;b++){b<a.e&&(s1.Lq(a.n,b)||a.F[b]==64)&&(a.D[b]&=-9);c=a.F[b]&127;c==1?(a.D[b]&=-2):c==2?(a.D[b]&=-3):c==4?(a.D[b]&=-5):c==8?(a.D[b]&=-33):c==16?(a.D[b]&=-65):c==32?(a.D[b]&=-17):c==64&&(a.D[b]&=-9)}};s1.so=function so(a,b,c){var d;d=s1.Vl(a,b,c);if(d&&c==386){s1.Ys(a,7);d=d&(a.C[b]&128)==0}return d};s1.to=function to(){s1.Yl.call(this)};s1.uo=function uo(a,b){s1.Zl.call(this,a,b)};s1.vo=function vo(a){s1.Zl.call(this,!a?256:a.K,!a?256:a.L);!!a&&s1.lj(a,this)};QR(71,63,{71:1,63:1,4:1});_.wb=function wo(a){s1.vm(this,a)};_.vb=function xo(a){return s1.Mn(this,a)};_.d=0;_.e=0;n1._N=hT(71);s1.yo=function yo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};s1.zo=function zo(a,b){var c,d;c=b;d=0;while(b!=0){if(a.d==0){a.f=(a.c[++a.e]&63)<<11;a.d=6}d|=(c2&a.f)>>16-c+b;a.f<<=1;--b;--a.d}return d};s1.Ao=function Ao(a,b,c){a.d=6;a.e=c;a.c=b;a.f=(b[a.e]&63)<<11};s1.Bo=function Bo(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32|0;c=f*a/(d-a);return e?-c:c};s1.Co=function Co(a,b){var c;return b==null||r1.i1(b).length==0?null:s1.Eo(a,r1.O0((c=b,L1.HX(),c)),null)};s1.Do=function Do(a,b,c){var d,e;return b==null?null:s1.Eo(a,r1.O0((e=b,L1.HX(),e)),c==null?null:r1.O0((d=c,d)))};s1.Eo=function Eo(a,b,c){var d,e,f,g,h;s1.Ao(a,b,0);d=s1.zo(a,4);g=s1.zo(a,4);d>8&&(d=g);e=s1.zo(a,d);f=s1.zo(a,g);h=new s1.ot(e,f);s1.Fo(a,h,b,c,0);return h};s1.Fo=function Fo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,Vb,Wb,Xb,Yb,Zb,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac;s1.gj(c);c.b=null;if(0>=d.length)return;b.g=c;uc=8;e!=null&&(f<0||f>=e.length)&&(e=null);s1.Ao(b,d,0);i=s1.zo(b,4);B=s1.zo(b,4);if(i>8){uc=i;i=B}if(i==0){s1.Hl(b.g,s1.zo(b,1)==1);return}j=s1.zo(b,i);k=s1.zo(b,B);ic=s1.zo(b,i);mc=s1.zo(b,i);lc=s1.zo(b,i);O=s1.zo(b,i);for(o=0;o<j;o++)s1.Ti(b.g,6);for(kb=0;kb<ic;kb++)s1.vl(b.g,s1.zo(b,i),7);for(lb=0;lb<mc;lb++)s1.vl(b.g,s1.zo(b,i),8);for(wb=0;wb<lc;wb++)s1.vl(b.g,s1.zo(b,i),s1.zo(b,8));for(Hb=0;Hb<O;Hb++)s1.cl(b.g,s1.zo(b,i),s1.zo(b,4)-8);P=1+k-j;V=s1.zo(b,4);A=0;s1.sl(b.g,0,0);s1.tl(b.g,0,0);s1.ul(b.g,0,0);W=e!=null&&e[f]>=39;tc=0;wc=0;yc=0;Ac=0;R=false;S=false;if(W){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){S=true;R=e.length==3*j-3+9;_b=R?3*j-3:2*j-2;w=86*(e[_b+1]-40)+e[_b+2]-40;tc=$wnd.Math.pow(10,w/2000-1);_b+=2;vc=86*(e[_b+1]-40)+e[_b+2]-40;wc=$wnd.Math.pow(10,vc/1500-1);_b+=2;xc=86*(e[_b+1]-40)+e[_b+2]-40;yc=$wnd.Math.pow(10,xc/1500-1);if(R){_b+=2;zc=86*(e[_b+1]-40)+e[_b+2]-40;Ac=$wnd.Math.pow(10,zc/1500-1)}}else{R=e.length==3*j-3}}if(b.xb()&&R){e=null;W=false}for(Sb=1;Sb<j;Sb++){X=s1.zo(b,V);if(X==0){if(W){s1.sl(b.g,Sb,s1.Mj(b.g,0)+8*(e[Sb*2-2]-83));s1.tl(b.g,Sb,s1.Nj(b.g,0)+8*(e[Sb*2-1]-83));R&&s1.ul(b.g,Sb,s1.Oj(b.g,0)+8*(e[2*j-3+Sb]-83))}++P;continue}A+=X-1;if(W){s1.sl(b.g,Sb,s1.Mj(b.g,A)+e[Sb*2-2]-83);s1.tl(b.g,Sb,s1.Nj(b.g,A)+e[Sb*2-1]-83);R&&s1.ul(b.g,Sb,s1.Oj(b.g,A)+(e[2*j-3+Sb]-83))}s1.Vi(b.g,A,Sb,1)}for(Wb=0;Wb<P;Wb++)s1.Vi(b.g,s1.zo(b,i),s1.zo(b,i),1);ac=jM(n1.VQ,F2,5,k,16,1);for(I=0;I<k;I++){J=s1.zo(b,2);switch(J){case 0:ac[I]=true;break;case 2:s1.Fl(b.g,I,2);break;case 3:s1.Fl(b.g,I,4);}}h=s1.zo(b,i);for(Xb=0;Xb<h;Xb++){n=s1.zo(b,i);if(uc==8){nc=s1.zo(b,2);if(nc==3){s1.hl(b.g,n,1,0);s1.nl(b.g,n,1,false)}else{s1.nl(b.g,n,nc,false)}}else{nc=s1.zo(b,3);switch(nc){case 4:s1.nl(b.g,n,1,false);s1.hl(b.g,n,1,s1.zo(b,3));break;case 5:s1.nl(b.g,n,2,false);s1.hl(b.g,n,1,s1.zo(b,3));break;case 6:s1.nl(b.g,n,1,false);s1.hl(b.g,n,2,s1.zo(b,3));break;case 7:s1.nl(b.g,n,2,false);s1.hl(b.g,n,2,s1.zo(b,3));break;default:s1.nl(b.g,n,nc,false);}}}uc==8&&s1.zo(b,1)==0&&(b.g.J=true);g=s1.zo(b,B);for(Yb=0;Yb<g;Yb++){D=s1.zo(b,B);if(s1.dk(b.g,D)==1){nc=s1.zo(b,3);switch(nc){case 4:s1.Cl(b.g,D,1,false);s1.zl(b.g,D,1,s1.zo(b,3));break;case 5:s1.Cl(b.g,D,2,false);s1.zl(b.g,D,1,s1.zo(b,3));break;case 6:s1.Cl(b.g,D,1,false);s1.zl(b.g,D,2,s1.zo(b,3));break;case 7:s1.Cl(b.g,D,2,false);s1.zl(b.g,D,2,s1.zo(b,3));break;default:s1.Cl(b.g,D,nc,false);}}else{s1.Cl(b.g,D,s1.zo(b,2),false)}}s1.Hl(b.g,s1.zo(b,1)==1);m=null;kc=0;while(s1.zo(b,1)==1){U=kc+s1.zo(b,4);switch(U){case 0:jc=s1.zo(b,i);for(Zb=0;Zb<jc;Zb++){n=s1.zo(b,i);s1.ol(b.g,n,o3,true)}break;case 1:jc=s1.zo(b,i);for($b=0;$b<jc;$b++){n=s1.zo(b,i);gc=s1.zo(b,8);s1.ml(b.g,n,gc)}break;case 2:jc=s1.zo(b,B);for(mb=0;mb<jc;mb++){s1.zo(b,B)}break;case 3:jc=s1.zo(b,i);for(nb=0;nb<jc;nb++){n=s1.zo(b,i);s1.ol(b.g,n,N2,true)}break;case 4:jc=s1.zo(b,i);for(ob=0;ob<jc;ob++){n=s1.zo(b,i);rc=yR(mR(s1.zo(b,4)),3);s1.ol(b.g,n,rc,true)}break;case 5:jc=s1.zo(b,i);for(pb=0;pb<jc;pb++){n=s1.zo(b,i);l=yR(mR(s1.zo(b,2)),1);s1.ol(b.g,n,l,true)}break;case 6:jc=s1.zo(b,i);for(qb=0;qb<jc;qb++){n=s1.zo(b,i);s1.ol(b.g,n,1,true)}break;case 7:jc=s1.zo(b,i);for(rb=0;rb<jc;rb++){n=s1.zo(b,i);hb=yR(mR(s1.zo(b,4)),7);s1.ol(b.g,n,hb,true)}break;case 8:jc=s1.zo(b,i);for(sb=0;sb<jc;sb++){n=s1.zo(b,i);t=s1.zo(b,4);r=jM(n1.EN,l2,5,t,15,1);for(bc=0;bc<t;bc++){s=s1.zo(b,8);r[bc]=s}s1.il(b.g,n,r)}break;case 9:jc=s1.zo(b,B);for(tb=0;tb<jc;tb++){D=s1.zo(b,B);rc=s1.zo(b,2)<<7;s1.El(b.g,D,rc,true)}break;case 10:jc=s1.zo(b,B);for(ub=0;ub<jc;ub++){D=s1.zo(b,B);L=s1.zo(b,5);s1.El(b.g,D,L,true)}break;case 11:jc=s1.zo(b,i);for(vb=0;vb<jc;vb++){n=s1.zo(b,i);s1.ol(b.g,n,n3,true)}break;case 12:jc=s1.zo(b,B);for(xb=0;xb<jc;xb++){D=s1.zo(b,B);M=s1.zo(b,8)<<9;s1.El(b.g,D,M,true)}break;case 13:jc=s1.zo(b,i);for(yb=0;yb<jc;yb++){n=s1.zo(b,i);oc=yR(mR(s1.zo(b,3)),14);s1.ol(b.g,n,oc,true)}break;case 14:jc=s1.zo(b,i);for(zb=0;zb<jc;zb++){n=s1.zo(b,i);hc=yR(mR(s1.zo(b,5)),17);s1.ol(b.g,n,hc,true)}break;case 15:case 31:kc+=16;break;case 16:jc=s1.zo(b,i);for(Ab=0;Ab<jc;Ab++){n=s1.zo(b,i);qc=yR(mR(s1.zo(b,3)),22);s1.ol(b.g,n,qc,true)}break;case 17:jc=s1.zo(b,i);for(Bb=0;Bb<jc;Bb++){n=s1.zo(b,i);s1.al(b.g,n,s1.zo(b,4))}break;case 18:jc=s1.zo(b,i);fc=s1.zo(b,4);for(Cb=0;Cb<jc;Cb++){n=s1.zo(b,i);T=s1.zo(b,fc);cc=jM(n1.AN,G3,5,T,15,1);for(bc=0;bc<T;bc++)cc[bc]=s1.zo(b,7)<<24>>24;s1.fl(b.g,n,o1.CU((dc=cc,L1.HX(),dc)))}break;case 19:jc=s1.zo(b,i);for(Db=0;Db<jc;Db++){n=s1.zo(b,i);N=yR(mR(s1.zo(b,3)),25);s1.ol(b.g,n,N,true)}break;case 20:jc=s1.zo(b,B);for(Eb=0;Eb<jc;Eb++){D=s1.zo(b,B);qc=s1.zo(b,3)<<17;s1.El(b.g,D,qc,true)}break;case 21:jc=s1.zo(b,i);for(Fb=0;Fb<jc;Fb++){n=s1.zo(b,i);s1.pl(b.g,n,s1.zo(b,2)<<4)}break;case 22:jc=s1.zo(b,i);for(Gb=0;Gb<jc;Gb++){n=s1.zo(b,i);s1.ol(b.g,n,m3,true)}break;case 23:jc=s1.zo(b,B);for(Ib=0;Ib<jc;Ib++){D=s1.zo(b,B);s1.El(b.g,D,J3,true)}break;case 24:jc=s1.zo(b,B);for(Jb=0;Jb<jc;Jb++){D=s1.zo(b,B);l=s1.zo(b,2)<<21;s1.El(b.g,D,l,true)}break;case 25:for(Kb=0;Kb<j;Kb++)s1.zo(b,1)==1&&s1.ql(b.g,Kb,true);break;case 26:jc=s1.zo(b,B);m=jM(n1.EN,l2,5,jc,15,1);for(Lb=0;Lb<jc;Lb++)m[Lb]=s1.zo(b,B);break;case 27:jc=s1.zo(b,i);for(Mb=0;Mb<jc;Mb++){n=s1.zo(b,i);s1.ol(b.g,n,G2,true)}break;case 28:jc=s1.zo(b,B);for(Nb=0;Nb<jc;Nb++)s1.Fl(b.g,s1.zo(b,B),32);break;case 29:jc=s1.zo(b,i);for(Ob=0;Ob<jc;Ob++){n=s1.zo(b,i);gb=yR(mR(s1.zo(b,2)),30);s1.ol(b.g,n,gb,true)}break;case 30:jc=s1.zo(b,i);for(Pb=0;Pb<jc;Pb++){n=s1.zo(b,i);qc=yR(mR(s1.zo(b,7)),32);s1.ol(b.g,n,qc,true)}break;case 32:jc=s1.zo(b,i);for(Qb=0;Qb<jc;Qb++){n=s1.zo(b,i);sc=yR(mR(s1.zo(b,2)),44);s1.ol(b.g,n,sc,true)}break;case 33:jc=s1.zo(b,i);for(Rb=0;Rb<jc;Rb++){n=s1.zo(b,i);bb=yR(mR(s1.zo(b,5)),39);s1.ol(b.g,n,bb,true)}break;case 34:jc=s1.zo(b,i);for(Tb=0;Tb<jc;Tb++){n=s1.zo(b,i);s1.ol(b.g,n,Q2,true)}break;case 35:jc=s1.zo(b,B);for(Ub=0;Ub<jc;Ub++){D=s1.zo(b,B);s1.El(b.g,D,M3,true)}break;case 36:jc=s1.zo(b,B);for(Vb=0;Vb<jc;Vb++){D=s1.zo(b,B);K=s1.zo(b,2)<<5;s1.El(b.g,D,K,true)}break;case 37:jc=s1.zo(b,B);for(jb=0;jb<jc;jb++){D=s1.zo(b,B);K=s1.zo(b,1)==0?8:16;s1.Fl(b.g,D,K)}}}s1._d(new s1.je(b.g),ac,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];s1.Fl(b.g,D,s1.dk(b.g,D)==2?4:2)}if(e==null&&!b.i&&d.length>b.e+1&&(d[b.e+1]==32||d[b.e+1]==9)){e=d;f=b.e+2}if(e!=null){try{if(e[f]==33||e[f]==35){s1.Ao(b,e,f+1);R=s1.zo(b,1)==1;S=s1.zo(b,1)==1;pc=2*s1.zo(b,4);C=1<<pc;eb=0;D=0;for(p=1;p<j;p++){if(D<k&&s1.Uj(b.g,1,D)==p){eb=s1.Uj(b.g,0,D++);db=1}else{eb=0;db=8}s1.sl(b.g,p,s1.Mj(b.g,eb)+db*(s1.zo(b,pc)-(C/2|0)));s1.tl(b.g,p,s1.Nj(b.g,eb)+db*(s1.zo(b,pc)-(C/2|0)));R&&s1.ul(b.g,p,s1.Oj(b.g,eb)+db*(s1.zo(b,pc)-(C/2|0)))}if(e[f]==35){ib=0;fb=jM(n1.EN,l2,5,j,15,1);for(q=0;q<j;q++)ib+=fb[q]=s1.dn(b.g,q);for(n=0;n<j;n++){for(jb=0;jb<fb[n];jb++){hb=s1.Ti(b.g,1);s1.Vi(b.g,n,hb,1);s1.sl(b.g,hb,s1.Mj(b.g,n)+(s1.zo(b,pc)-(C/2|0)));s1.tl(b.g,hb,s1.Nj(b.g,n)+(s1.zo(b,pc)-(C/2|0)));R&&s1.ul(b.g,hb,s1.Oj(b.g,n)+(s1.zo(b,pc)-(C/2|0)))}}j+=ib;k+=ib}v=R?1.5:(s1.Ri(),s1.Ri(),s1.Qi);u=s1.Rj(b.g,j,k,v);if(S){tc=s1.yo(s1.zo(b,pc),C);wc=tc*s1.Bo(s1.zo(b,pc),C);yc=tc*s1.Bo(s1.zo(b,pc),C);R&&(Ac=tc*s1.Bo(s1.zo(b,pc),C));db=tc/u;for(n=0;n<j;n++){s1.sl(b.g,n,wc+db*s1.Mj(b.g,n));s1.tl(b.g,n,yc+db*s1.Nj(b.g,n));R&&s1.ul(b.g,n,Ac+db*s1.Oj(b.g,n))}}else{tc=1.5;db=tc/u;for(n=0;n<j;n++){s1.sl(b.g,n,db*s1.Mj(b.g,n));s1.tl(b.g,n,db*s1.Nj(b.g,n));R&&s1.ul(b.g,n,db*s1.Oj(b.g,n))}}}else{R&&!S&&tc==0&&(tc=1.5);if(tc!=0&&b.g.p!=0){u=0;for(D=0;D<b.g.p;D++){Y=s1.Mj(b.g,s1.Uj(b.g,0,D))-s1.Mj(b.g,s1.Uj(b.g,1,D));Z=s1.Nj(b.g,s1.Uj(b.g,0,D))-s1.Nj(b.g,s1.Uj(b.g,1,D));$=R?s1.Oj(b.g,s1.Uj(b.g,0,D))-s1.Oj(b.g,s1.Uj(b.g,1,D)):0;u+=$wnd.Math.sqrt(Y*Y+Z*Z+$*$)}u/=b.g.p;cb=tc/u;for(n=0;n<b.g.o;n++){s1.sl(b.g,n,s1.Mj(b.g,n)*cb+wc);s1.tl(b.g,n,s1.Nj(b.g,n)*cb+yc);R&&s1.ul(b.g,n,s1.Oj(b.g,n)*cb+Ac)}}}}catch(a){a=ZQ(a);if(qN(a,13)){ab=a;o1.TJ(ab,(o1.mV(),o1.lV),'');'Faulty id-coordinates:'+ab+' '+o1.CU((ec=d,L1.HX(),ec))+' '+o1.CU((dc=e,dc));String.fromCharCode(10);e=null;R=false}else throw $Q(a)}}Q=e!=null&&!R;if(Q||b.xb()){s1.Ys(b.g,7);for(D=0;D<b.g.e;D++)s1.ak(b.g,D)==2&&!s1.Yn(b.g,D)&&s1.bk(b.g,D)==0&&s1.Dl(b.g,D)}s1.jo(b.g,0);if(!Q&&b.xb()){try{b.yb(b.g);Q=true}catch(a){a=ZQ(a);if(qN(a,13)){ab=a;o1.TJ(ab,(o1.mV(),o1.lV),'');'2D-coordinate creation failed:'+ab+' '+o1.CU((dc=d,L1.HX(),dc));String.fromCharCode(10)}else throw $Q(a)}}if(Q){s1.mo(b.g);s1.jt(b.g)}else R||s1.jo(b.g,0)};s1.Go=function Go(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;s1.Ao(a,b,0);h=s1.zo(a,4);e=s1.zo(a,1)==1;f=s1.zo(a,1)==1;for(c=0;c<a.g.d;c++){g=s1.zo(a,h);d=e;e&&f&&(d=s1.zo(a,1)==1);s1.kl(a.g,c,g,d)}};s1.Ho=function Ho(){};QR(158,1,{},s1.Ho);_.xb=function Io(){return false};_.yb=function Jo(a){throw $Q(new o1.jK('Unexpected request to invent coordinates. 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e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=vR(aR(s1.Kj(a.k,e),1),0);f=s1.Fj(a.k,e);l=f!=null?s1.Vo(a,e,f,d):j?'*':s1.Ej(a.k,e);!j&&f==null&&s1.Hn(a.k,e)&&(a.j&4)==0&&(s1.Hm(a.k,e)!=0||s1.wj(a.k,e)==-1&&s1.Lj(a.k,e)==0)&&(l=r1.i1(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&s1.So(a,s1.Om(a.k,b.a,b.g),b.g,c);g=s1.yj(a.k,e);if(g==0&&(a.j&1)!=0){h=aR(s1.Kj(a.k,e),T2);fR(h,W2)==0?(g=-1):fR(h,V2)==0&&(g=1)}k=s1.Ij(a.k,e);m=(a.j&2)!=0?s1.Hj(a.k,e):0;o=(a.j&1)!=0?s1._o(a,e,d):null;r=!j&&!s1.gp(s1.Pj(a.k,e))||f!=null||(s1.Jj(a.k,e)==1||s1.Jj(a.k,e)==2)&&(q=s1.Dj(a.k,e)-1,!(q!=-1&&a.i[q][s1.Cj(a.k,e)]<=1))&&(s1.Pj(a.k,e)!=7||s1.yj(a.k,e)>0)||s1.Hn(a.k,e)&&s1.Hm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||s1.wj(a.k,e)!=-1||s1.Lj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(s1.Jj(a.k,e)==1||s1.Jj(a.k,e)==2)&&(p=s1.Dj(a.k,e)-1,!(p!=-1&&a.i[p][s1.Cj(a.k,e)]<=1))&&(s1.Pj(a.k,e)!=7||s1.yj(a.k,e)>0)&&o1.eV(c,s1.$o(a,e,n));if((a.j&1)==0&&r){i=s1.qn(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&o1.bV(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);s1.To(a,b,c);b.e&&(c.a+=')',c)};s1.Po=function Po(a,b,c){var d,e,f,g,h;f=true;h=t1.Xh(a.g,b).a;g=s1.cp(a,h);while(g!=-1){d=s1.Qm(a.k,h,g);e=s1.Sm(a.k,h,g);g=s1.cp(a,d);s1.Ro(a,new s1.gs(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};s1.Qo=function Qo(a,b,c){var d,e,f,g;for(e=b,f=0,g=e.length;f<g;++f){d=e[f];a.f[d&1073741823]=(d&d4)!=0^c?2:1}};s1.Ro=function Ro(a,b,c){t1.Rh(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[s1.Om(a.k,b.a,b.g)]=true)};s1.So=function So(a,b,c,d){var e,f,g,h,i;i=r1.i1(d.a).length;a.f[b]!=0&&o1.aV(d,a.f[b]==1?47:92);if(a.j==1){f=s1.ck(a.k,127);if(f!=0){(f&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((f&2)!=0){r1.i1(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((f&4)!=0){r1.i1(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((f&8)!=0){r1.i1(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&16)!=0){r1.i1(d.a).length!=i&&(d.a+=',',d);d.a+='$'}if((f&64)!=0){r1.i1(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((f&32)!=0){r1.i1(d.a).length!=i&&(d.a+=',',d);o1.eV(d,s1.Fk(a.k,c)?'<-':'->')}}}if(i==r1.i1(d.a).length&&(!s1.In(a.k,b)||(a.j&4)!=0)){e=s1.dk(a.k,b)&127;e==1?s1.Hn(a.k,s1.Uj(a.k,0,b))&&s1.Hn(a.k,s1.Uj(a.k,1,b))&&(a.j&4)==0&&a.f[b]==0&&(d.a+='-',d):e==2?(d.a+='=',d):e==4?(d.a+='#',d):e==8?(d.a+='$',d):e==16?(d.a+='$',d):e==64?(d.a+=':',d):e==32&&o1.eV(d,s1.Fk(a.k,c)?'<-':'->')}if(a.j==1){g=i==r1.i1(d.a).length?'':';';h=s1.ck(a.k,b)&384;h==256?(d.a+=g+'@',d):h==128&&(d.a+=g+'!@',d)}};s1.To=function To(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<s1.Rm(a.k,b.a);f++){if(b.c[e]==s1.Qm(a.k,b.a,f)){d=s1.Sm(a.k,b.a,f);b.d[e]||s1.So(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);o1.bV(c,a.e[d])}}}}};s1.Uo=function Uo(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O;M=new t1.ki;for(r=new 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r1.i1(c.a).length==0?null:c.a};s1.ap=function ap(a){a.p==null&&(a.p=s1.Wo(a));return a.p};
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82
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83
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1:s1.pl(b.j,e,16);break;case 2:s1.pl(b.j,e,32);break;case 3:s1.pl(b.j,e,48);}}}}if(o1.DU(r1.i1(v).substr(0,6),'M RBC')||o1.DU(r1.i1(v).substr(0,6),'M RBD')){s=o1.AT(o1.QU((r1.e1(6,9,r1.i1(v).length),r1.i1(v).substr(6,3))));if(s>0){d=10;U=14;for(t=1;t<=s;++t,d+=8,U+=8){e=o1.AT(o1.QU((r1.e1(d,d+3,r1.i1(v).length),r1.i1(v).substr(d,d+3-d))))-1;L=o1.AT(o1.QU((r1.e1(U,U+3,r1.i1(v).length),r1.i1(v).substr(U,U+3-U))));switch(L){case 3:case -1:s1.ol(b.j,e,112,true);break;case 1:s1.ol(b.j,e,8,true);break;case 2:s1.ol(b.j,e,104,true);break;case 4:s1.ol(b.j,e,56,true);}}}}if(o1.DU(r1.i1(v).substr(0,6),'M 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RGP')){s=o1.AT(o1.QU((r1.e1(6,9,r1.i1(v).length),r1.i1(v).substr(6,3))));if(s>0){d=10;U=14;for(t=1;t<=s;++t,d+=8,U+=8){e=o1.AT(o1.QU((r1.e1(d,d+3,r1.i1(v).length),r1.i1(v).substr(d,d+3-d))))-1;M=o1.AT(o1.QU((r1.e1(U,U+3,r1.i1(v).length),r1.i1(v).substr(U,U+3-U))));M>=1&&M<=20&&s1.vl(b.j,e,s1.hm('R'+M,2))}}}v=J1.lS(c)}}catch(a){a=ZQ(a);if(qN(a,13)){n=a;o1.TJ(n,(o1.mV(),o1.lV),'');String.fromCharCode(10);return false}else throw $Q(a)}if(b.e){s1.$p(b);s1.Lp(b)}(b.i&1)!=0&&(b.f=s1.bn(b.j));s1.Qp(b,T);s1.Ys(b.j,15);return true};s1.dq=function dq(a,b){var c,d,e,f,g;!!a.b&&t1.Q$(a.b);!!a.c&&t1.Q$(a.c);e=0;d=J1.lS(b);while(d!=null&&o1.DU(r1.i1(d).substr(0,7),o4)){d=o1.QU((r1.f1(7,r1.i1(d).length+1),r1.i1(d).substr(7)));while(g=r1.i1('-').length,o1.DU(r1.i1(d).substr(r1.i1(d).length-g,g),'-')){c=J1.lS(b);if(!o1.DU(r1.i1(c).substr(0,7),o4)){return false}d=o1.QU(o1.AU(o1.PU(d,0,r1.i1(d).length-1),(r1.f1(7,r1.i1(c).length+1),r1.i1(c).substr(7))))}if(o1.DU(r1.i1(d).substr(0,5),'BEGIN')){f=o1.QU((r1.f1(6,r1.i1(d).length+1),r1.i1(d).substr(6)));if(o1.DU(r1.i1(f).substr(0,4),'CTAB')){e=1}else if(o1.DU(r1.i1(f).substr(0,4),'ATOM')){e=2}else if(o1.DU(r1.i1(f).substr(0,4),'BOND')){e=3}else if(o1.DU(r1.i1(f).substr(0,10),'COLLECTION')){e=4}else{return false}}else if(o1.DU(r1.i1(d).substr(0,3),'END')){e=0}else if(e==1){s1.Yp(a,d)}else if(e==2){s1.Up(a,d)}else if(e==3){s1.Wp(a,d)}else if(e==4){s1.Xp(a,d)}else{return false}d=J1.lS(b)}while(d!=null&&!(o1.DU(r1.i1(d).substr(0,6),m4)||o1.DU(d,n4))){d=J1.lS(b)}return true};s1.eq=function eq(){this.i=0};s1.fq=function fq(){this.i=1};QR(69,1,{},s1.eq,s1.fq);_.a=false;_.d=false;_.e=false;_.g=false;_.i=0;_.k=false;n1.iO=hT(69);s1.gq=function gq(a){};
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b;if(a.o==1)return true;for(b=1;b<a.o;b++){if(a.H[b].a!=a.H[0].a||a.H[b].b!=a.H[0].b||a.H[b].c!=a.H[0].c){return true}}return false};s1.oq=function oq(a,b){var c;c=new s1.iq;c.b=b;s1.Ys(a,15);s1.hq(c,a,true);return c.a.a};QR(78,1,{},s1.iq,s1.jq);_.b=1;n1.jO=hT(78);s1.pq=function pq(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;k=a.g.K;l=0;for(f=0;f<c;f++){if(k>b[f]){k=b[f];l=f}}p=jM(n1.EN,l2,5,c,15,1);j=l>0?l-1:c-1;m=l<c-1?l+1:0;h=b[j]<b[m];for(g=0;g<c;g++){p[g]=b[l];h?--l<0&&(l=c-1):++l==c&&(l=0)}for(e=0;e<a.i.a.length;e++){o=t1.Xh(a.i,e);if(o.length!=c)continue;d=true;for(i=0;i<c;i++){if(o[i]!=p[i]){d=false;break}}if(d)return}t1.Sh(a.i,p);n=s1.Bq(a,p);t1.Sh(a.j,n);s1.Sq(a,p,n)};s1.qq=function qq(a,b,c){var d,e,f,g,h,i,j;i=jM(n1.EN,l2,5,a.f,15,1);g=jM(n1.EN,l2,5,a.f,15,1);j=jM(n1.VQ,F2,5,a.g.d,16,1);d=s1.Uj(a.g,0,b);e=s1.Uj(a.g,1,b);i[0]=d;i[1]=e;g[1]=-1;j[e]=true;h=1;while(h>=1){++g[h];if(g[h]==s1.Rm(a.g,i[h])){j[i[h]]=false;--h;continue}f=s1.Qm(a.g,i[h],g[h]);if(j[f]||c[f])continue;if(f==d&&h>1){s1.pq(a,i,h+1);if(a.i.a.length>=S2)return;continue}if(h+1<a.f){++h;i[h]=f;j[f]=true;g[h]=-1}}};s1.rq=function rq(a,b,c,d,e,f,g,h){var i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D;A=t1.Xh(a.i,b);for(l=A,m=0,n=l.length;m<n;++m){k=l[m];if(!s1.Oq(a,k))return true}B=t1.Xh(a.j,b);C=B.length;o=0;j=0;D=false;for(v=0;v<C;v++){o<<=1;j<<=1;if(s1.Qq(a,B[v])){o|=1}else if(h&&s1.Nq(a,B[v])){o|=1;j|=1}else{i=c[b][v];if(i!=-1){if(d[i]){if(e[i]){o|=1;f[i]||(j|=1)}}else{D=true}}}}u=false;switch(C){case 3:p=rM(dM(n1.EN,1),l2,5,15,[2,1,4]);u=true;for(t=0;t<3;t++){if((o&p[t])==p[t]){if(s1.Pj(a.g,A[t])==6&&s1.yj(a.g,A[t])==1||s1.Pj(a.g,A[t])==5&&s1.yj(a.g,A[t])==0){e[b]=true;g[b]=t;(j&p[t])==0&&(u=false)}}}break;case 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f,g,h,i,j,k,l,m,n,o,p,q;f=jM(n1.EN,D3,6,a.i.a.length,0,2);for(j=0;j<a.i.a.length;j++){f[j]=jM(n1.EN,l2,5,t1.Xh(a.i,j).length,15,1);for(k=0;k<t1.Xh(a.i,j).length;k++)f[j][k]=-1}p=jM(n1.EN,l2,5,a.g.e,15,1);for(n=0;n<a.j.a.length;n++){o=t1.Xh(a.j,n);if(o.length==3||o.length>=5&&o.length<=7){for(i=0;i<o.length;i++){h=o[i];if(s1.Rm(a.g,s1.Uj(a.g,0,h))==3&&s1.Rm(a.g,s1.Uj(a.g,1,h))==3){if(p[h]>0){f[p[h]>>>16][p[h]&32767]=n;f[n][i]=p[h]>>>16}else{p[h]=(n<<16)+X3+i}}}}}g=jM(n1.VQ,F2,5,a.i.a.length,16,1);q=0;l=-1;while(q>l){l=q;for(m=0;m<a.i.a.length;m++){if(!g[m]){if(s1.rq(a,m,f,g,b,c,d,e)){g[m]=true;++q}}}}};s1.tq=function tq(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o;e=s1.Uj(a.g,0,b);f=s1.Uj(a.g,1,b);i=jM(n1.EN,l2,5,a.g.d,15,1);j=jM(n1.EN,l2,5,a.g.d,15,1);k=jM(n1.EN,l2,5,a.g.d,15,1);i[0]=e;i[1]=f;j[e]=1;j[f]=2;k[e]=-1;k[f]=e;h=1;l=1;while(h<=l){for(m=0;m<s1.Rm(a.g,i[h]);m++){g=s1.Qm(a.g,i[h],m);if(h>1&&g==e){o=jM(n1.EN,l2,5,j[i[h]],15,1);d=i[h];for(n=0;n<o.length;n++){o[n]=d;d=k[d]}return 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e,f,g,h,i,j,k,l;h=a.e[d];i=h+1;while(i<a.w&&a.f[a.r[i]]==d)++i;for(k=h;k<i;k++)c[k]=-1;g=h;while(true){l=a.t[g]==-1?a.G.d:s1.Dm(a.G,a.F[a.t[g]]);++c[g];if(c[g]==l){c[g]=-1;if(g==h)break;--g;if(!a.s[g]){b[a.F[a.r[g]]]=false;a.F[a.r[g]]=-1}continue}if(a.t[g]==-1){if(!b[c[g]]){if(s1.Yq(a,c[g],a.r[g])){a.F[a.r[g]]=c[g];b[c[g]]=true;++g}}}else{if(s1.Qm(a.G,a.F[a.t[g]],c[g])>=a.G.d){++c[g];continue}f=s1.Qm(a.G,a.F[a.t[g]],c[g]);if(a.s[g]){f==a.F[a.r[g]]&&s1.Zq(a,s1.Sm(a.G,a.F[a.t[g]],c[g]),a.u[g])&&++g}else{if(!b[f]){if(s1.Yq(a,f,a.r[g])&&s1.Zq(a,s1.Sm(a.G,a.F[a.t[g]],c[g]),a.u[g])){b[f]=true;a.F[a.r[g]]=f;++g}}}}if(g==i){if(s1.dr(a,d)&&s1.cr(a,d)&&s1.br(a,b,d)){for(j=h;j<i;j++){if(!a.s[j]){e=a.r[j];b[a.F[e]]=false;a.F[e]=-1}}return true}--g;if(!a.s[g]){b[a.F[a.r[g]]]=false;a.F[a.r[g]]=-1}}}return false};s1.lr=function lr(a){return s1.er(a,1,a.c)>0};s1.mr=function mr(a,b){var c;for(c=0;c<b.length;c++)if(b[c]==a)return true;return false};s1.nr=function nr(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};s1.or=function or(a,b){var c,d,e,f,g,h,i,j;g=false;if(s1.Hm(a.g,b)==0){for(f=1;f<s1.Rm(a.g,b);f++){for(h=0;h<f;h++){d=s1.Qm(a.g,b,f);e=s1.Qm(a.g,b,h);a.F[d]>a.F[e]^d>e&&(g=!g)}}}else{for(f=0;f<s1.Rm(a.g,b);f++){c=s1.Qm(a.g,b,f);j=0;i=jM(n1.EN,l2,5,3,15,1);for(h=0;h<s1.Rm(a.g,c);h++){i[j]=s1.Qm(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};s1.pr=function pr(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};s1.qr=function qr(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;s1.Ys(a.g,1);a.M=7;for(d=0;d<a.g.d;d++)vR(aR(s1.Kj(a.g,d),{l:n3,m:0,h:3}),0)&&(a.M=15);for(g=0;g<a.g.e;g++)(s1.ck(a.g,g)&J3)!=0&&(a.M=15);a.K&&a.M!=7&&s1.Ys(a.G,a.M);a.o=0;a.p=0;a.C=jM(n1.VQ,F2,5,a.g.d,16,1);for(e=0;e<a.g.d;e++){a.C[e]=vR(aR(s1.Kj(a.g,e),G2),0);a.C[e]&&++a.o}a.d=0;a.f=null;if(a.o!=0){if(a.o!=0)for(f=0;f<a.g.e;f++)(a.C[s1.Uj(a.g,0,f)]||a.C[s1.Uj(a.g,1,f)])&&++a.p;for(c=0;c<a.g.o;c++)s1.ll(a.g,c,a.C[c]);a.f=jM(n1.EN,l2,5,a.g.o,15,1);a.d=s1.$m(a.g,a.f,true,false)}};s1.rr=function rr(a,b){if(!b||b.o==0){a.G=null;return}a.G=b;a.K=false;s1.Ys(a.G,1)};s1.sr=function sr(a,b){if(!a.K){s1.vr(a,b);a.K=true}if(!a.q){s1.tr(a,b);s1._q(a);s1.$q(a);a.q=true}};s1.tr=function tr(a,b){var c,d,e,f,g,h,i,j,k,l;f=null;i=null;g=null;s1.Ys(a.g,a.M);a.n=jM(n1.EN,l2,5,a.g.d,15,1);for(d=0;d<a.g.d;d++)a.n[d]=s1.Rm(a.g,d);if(a.o!=0){j=new 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d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;p=b.d;a.i=jM(n1.FN,F3,5,b.d,14,1);a.j=jM(n1.EN,l2,5,b.d,15,1);for(h=0;h<p;h++){a.i[h]=GR(aR(xR(s1.fr(b,h),b.w[h]),w4),x4);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=jM(n1.FN,F3,5,b.d,14,1);r=(s1.Ys(b,7),b.n);for(o=0;o<r.i.a.length;o++){n=false;for(j=t1.Xh(r.j,o),k=0,l=j.length;k<l;++k){m=j[k];if((b.D[m]&r3)!=0){n=true;break}}if(!n){s=t1.Xh(r.j,o).length;for(e=t1.Xh(r.i,o),f=0,g=e.length;f<g;++f){d=e[f];s==3?(a.A[d]=xR(a.A[d],r2)):s==4?(a.A[d]=xR(a.A[d],s2)):s==5?(a.A[d]=xR(a.A[d],t2)):s==6?(a.A[d]=xR(a.A[d],u2)):s==7&&(a.A[d]=xR(a.A[d],v2))}}}q=b.e;a.k=jM(n1.EN,l2,5,b.e,15,1);for(i=0;i<q;i++){a.k[i]=(s1.gr(b,i)|b.D[i])&6291967^6291840;(c&4)!=0?(a.k[i]&2)!=0&&(a.k[i]|=8):(c&8)!=0&&(a.k[i]&2)!=0&&i<b.e&&s1.Hq(b.n,i)&&(a.k[i]|=8)}};s1.vr=function vr(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;s1.Ys(a.G,a.M);k=a.G.d;a.I=jM(n1.EN,l2,5,k,15,1);a.H=jM(n1.FN,F3,5,k,14,1);for(g=0;g<k;g++){a.H[g]=GR(aR(xR(s1.fr(a.G,g),s1.Kj(a.G,g)),w4),x4);a.I[g]=s1.Pj(a.G,g);(b&1)!=0&&(a.I[g]+=s1.yj(a.G,g)+16<<8);(b&2)!=0&&(a.I[g]+=s1.Ij(a.G,g)<<16)}a.L=jM(n1.FN,F3,5,k,14,1);m=s1.sn(a.G);for(j=0;j<m.i.a.length;j++){n=t1.Xh(m.j,j).length;for(d=t1.Xh(m.i,j),e=0,f=d.length;e<f;++e){h=d[e];n==3?(a.L[h]=xR(a.L[h],r2)):n==4?(a.L[h]=xR(a.L[h],s2)):n==5?(a.L[h]=xR(a.L[h],t2)):n==6?(a.L[h]=xR(a.L[h],u2)):n==7&&(a.L[h]=xR(a.L[h],v2))}}for(c=0;c<k;c++){n=s1.Lm(a.G,c);n==0?(a.L[c]=xR(a.L[c],q2)):n>7&&(a.L[c]=xR(a.L[c],w2))}l=a.G.e;a.J=jM(n1.EN,l2,5,l,15,1);for(i=0;i<l;i++)a.J[i]=(s1.gr(a.G,i)|s1.ck(a.G,i))&6422527^6291840};s1.wr=function wr(a,b,c,d,e,f,g){var h,i;h=s1.Qm(a.g,a.r[b],d);if((!a.C[h]||a.f[h]==g)&&h!=a.t[b]){i=s1.Sm(a.g,a.r[b],d);if(!f[i]&&!s1.xk(a.g,i)){a.r[++c]=h;a.t[c]=a.r[b];a.u[c]=i;f[i]=true;e[h]?(a.s[c]=true):(e[h]=true)}}return c};s1.xr=function xr(){this.c=8;this.N=new t1.V_(new B1.FJ)};s1.yr=function yr(a,b){var c;c=jM(n1.EN,l2,5,b,15,1);o1.nV(a,0,c,0,$wnd.Math.min(a.length,b));return c};s1.zr=function zr(a,b){var c;c=jM(n1.VQ,F2,5,b,16,1);o1.nV(a,0,c,0,$wnd.Math.min(a.length,b));return c};QR(92,1,{},s1.xr);_.c=0;_.d=0;_.o=0;_.p=0;_.q=false;_.v=0;_.w=0;_.K=false;_.M=0;_.O=false;n1.nO=hT(92);s1.Ar=function Ar(){};QR(109,1,{109:1},s1.Ar);_.a=0;_.b=0;_.c=0;_.d=0;n1.lO=hT(109);
85
+ s1.Dr=function 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s1.Uq(a.j,3);s=jM(n1.VQ,F2,5,U.i.a.length,16,1);for(Q=0;Q<U.i.a.length;Q++){S=t1.Xh(U.i,Q);s[Q]=true;for(A=S,D=0,H=A.length;D<H;++D){v=A[D];if(!s1.Ek(a.j,v)){s[Q]=false;break}}if(s[Q]){for(B=S,F=0,I=B.length;F<I;++F){v=B[F];t[v]=true}T=t1.Xh(U.j,Q);for(w=T,C=0,G=w.length;C<G;++C){v=w[C];if(!a.f[v]){a.f[v]=true;++a.c}}}}for(m=0;m<a.j.e;m++){!a.f[m]&&(U.b[m]&d2)!=0&&s1.Ek(a.j,s1.Uj(a.j,0,m))&&s1.Ek(a.j,s1.Uj(a.j,1,m))&&s1.ls(a,m)}for(n=0;n<a.j.e;n++){if(!a.f[n]){f=s1.Uj(a.j,0,n);g=s1.Uj(a.j,1,n);if(!t[f]&&!t[g]&&s1.Ek(a.j,f)&&s1.Ek(a.j,g)){a.f[n]=true;++a.c}}}s1.Ys(a.j,7);r=jM(n1.VQ,F2,5,a.j.e,16,1);a.j.e>=0&&o1.nV(a.f,0,r,0,a.j.e);for(R=0;R<U.i.a.length;R++){if(s[R]){S=t1.Xh(U.i,R);for(K=S,L=0,M=K.length;L<M;++L){J=K[L];if(!s1.Cs(a,J)){if(s1.Ek(a.j,J)){s1.ll(a.j,J,false);--a.b}for(v=0;v<s1.Rm(a.j,J);v++){p=s1.Sm(a.j,J,v);if(a.f[p]){a.f[p]=false;--a.c}}}}}}s1.Bs(a);for(P=0;P<U.i.a.length;P++){if(s[P]&&t1.Xh(U.j,P).length==6){T=t1.Xh(U.j,P);u=true;for(i=T,j=0,k=i.length;j<k;++j){h=i[j];if(!a.f[h]){u=false;break}}if(u){s1.As(a,T[0]);s1.As(a,T[2]);s1.As(a,T[4]);s1.Bs(a)}}}for(O=5;O>=4;O--){do{N=false;for(h=0;h<a.j.e;h++){if(a.f[h]){d=0;for(q=0;q<2;q++){o=s1.Uj(a.j,q,h);for(v=0;v<s1.Rm(a.j,o);v++)a.f[s1.Sm(a.j,o,v)]&&++d}if(d==O){s1.As(a,h);s1.Bs(a);N=true;break}}}}while(N)}while(a.b>=2)if(!s1.os(a,r))break;if(b){if(a.b!=0){for(e=0;e<a.j.d;e++){if(s1.Ek(a.j,e)){s1.ll(a.j,e,false);s1.ol(a.j,e,2,true);--a.b;c=true}}}if(a.c!=0){for(h=0;h<a.j.e;h++){if(a.f[h]){a.f[h]=false;s1.Fl(a.j,h,64);--a.c;c=true}}}}else{for(e=0;e<a.j.d;e++){if(s1.Ek(a.j,e)&&s1.dn(a.j,e)!=0){s1.ll(a.j,e,false);s1.pl(a.j,e,32);--a.b}}}if(a.p==0||a.p==1&&!c){if(a.b!=0)throw $Q(new o1.jK(A4));if(a.c!=0)throw $Q(new o1.jK(A4))}};
86
+ s1.ts=function ts(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb;a.j=b;s1.Ws(a.j);!!a.q&&o1.xS(a.q,0);a.b=0;a.o=false;i=a.p!=0;hb=null;q=jM(n1.EN,l2,5,32,15,1);q[0]=-1;ob=jM(n1.EN,l2,5,16,15,1);rb=jM(n1.EN,l2,5,16,15,1);qb=jM(n1.EN,l2,5,16,15,1);pb=jM(n1.EN,l2,5,16,15,1);for(Q=0;Q<16;Q++)ob[Q]=-1;n=0;I=-1;ub=false;T=false;N=false;v=0;t=1;s=0;m=new B1.LJ;ib=new s1.Qs(c);l=new s1.Hs;nb=new t1.ki;tb=jM(n1.EN,l2,5,1,15,1);while(c[d]<=32)++d;while(d<e){wb=c[d++]&d2;if(o1.WS(wb)||wb==42||wb==63||wb==33&&i&&ub||wb==35&&i&&ub){p=-1;A=0;Y=0;h=-1;G=-1;gb=false;S=false;o=0;if(ub){if(wb==42){p=6;o=xR(o,1)}else if(wb==63){p=0}else{V=wb==33;if(V){a.o=true;o=xR(o,1);++d}if(c[d-1]==82&&i&&(US(c[d]&d2)||a.a&&c[d]==123)){p=6;o=xR(o,1);--d;V&&--d}else{if(!s1.vs(a,c,d-1,e,l))throw $Q(new o1.jK("SmilesParser: Unexpected character in atom definition:'"+String.fromCharCode(c[d-1]&d2)+B4+(d-1)));p=l.a;d+=l.b-1;a.p!=2&&(G=9);if(i&&(c[d]==44||V)){$=l.d;Z=l.c;vb=d-l.b;while(vb<e){if(!s1.vs(a,c,vb,e,l)){if(!V)throw $Q(new o1.jK("SmilesParser: Unexpected character in atom list:'"+String.fromCharCode(c[vb]&d2)+C4+vb));break}if(l.a==1){if(!V)throw $Q(new o1.jK("SmilesParser: Hydrogen is not supported in positive atom lists:'"+o1.BU((t1.MZ(c,vb,e),t1.QZ(c,jM(n1.AN,G3,5,e-vb,15,1),vb,e)))+C4+vb))}else{B1.JJ(m,o1.iU(l.a));$=$|l.d;Z=Z|l.c}vb+=l.b;if(c[vb]!=(V?59:44))break;if(V&&c[vb+1]!=33)break;++vb;c[vb]==33&&++vb}if(m.a.a.length>1){G=-1;Z?$||(o=xR(o,4)):(o=xR(o,2))}d=vb}}}while(ub){if(c[d]==64){++d;if(c[d]==64){S=true;++d}gb=true;continue}if(c[d]==58){++d;while(US(c[d]&d2)){Y=10*Y+c[d]-48;++d}continue}if(c[d]==91)throw $Q(new o1.jK('SmilesParser: nested square brackets found. Position:'+d));if(c[d]==93){++d;ub=false;continue}A=s1.ws(c,d,tb);if(tb[0]!=0){d+=tb[0];A==0&&(o=xR(o,U2));continue}U=c[d]==33;U&&++d;if(c[d]==72){++d;d+=s1.Ns(ib,d,1);H=0;ib.c<=0&&ib.b>=0&&(H=xR(H,128));ib.c<=1&&ib.b>=1&&(H=xR(H,256));ib.c<=2&&ib.b>=2&&(H=xR(H,512));ib.c<=3&&ib.b>=3&&(H=xR(H,S2));if(U){o=xR(o,H);G=-1}else{if(ib.b==ib.c){G=ib.c}else{o=xR(o,aR(R2,wR(H)));G=-1}}continue}if(c[d]==68){++d;d+=s1.Ns(ib,d,1);H=0;ib.c<=0&&ib.b>=0&&(H=xR(H,H3));ib.c<=1&&ib.b>=1&&(H=xR(H,x3));ib.c<=2&&ib.b>=2&&(H=xR(H,w3));ib.c<=3&&ib.b>=3&&(H=xR(H,J3));ib.c<=4&&ib.b>=4&&(H=xR(H,Z2));if(fR(H,0)!=0){if(U)o=xR(o,H);else if(vR(aR(o,Y2),0))o=aR(o,wR(H));else{H=GR(H,Y2);o=xR(o,H)}}continue}if(c[d]==122&&a.a){++d;d+=s1.Ns(ib,d,4);H=0;ib.c<=0&&ib.b>=0&&(H=xR(H,h3));ib.c<=1&&ib.b>=1&&(H=xR(H,D4));ib.c<=2&&ib.b>=2&&(H=xR(H,E4));ib.c<=3&&ib.b>=3&&(H=xR(H,F4));ib.c<=4&&ib.b>=4&&(H=xR(H,g3));if(fR(H,0)!=0){if(U)o=xR(o,H);else if(vR(aR(o,b3),0))o=aR(o,wR(H));else{H=GR(H,b3);o=xR(o,H)}}continue}if(c[d]==88){++d;d+=s1.Ns(ib,d,1);Cb=(s1.Ri(),s1.Mi)[p];if(Cb==null)continue;yb=Cb[0];X=s1.ws(c,d,tb);tb[0]!=0&&(s1.im(p)?(yb+=X):p==6?(yb-=$wnd.Math.abs(X)):(yb-=X));H=0;yb-ib.c<=0&&yb-ib.b>=0&&(H=xR(H,M2));yb-ib.c<=1&&yb-ib.b>=1&&(H=xR(H,X3));yb-ib.c<=2&&yb-ib.b>=2&&(H=xR(H,c2));if(fR(H,0)!=0){if(U)o=xR(o,H);else if(vR(aR(o,X2),0))o=aR(o,wR(H));else{H=GR(H,X2);o=xR(o,H)}}continue}if(c[d]==65||c[d]==97){++d;o=xR(o,U^c[d]==65?4:2);continue}if(c[d]==82){++d;d+=s1.Ns(ib,d,3);H=0;ib.c<=0&&ib.b>=0&&(H=xR(H,8));ib.c<=1&&ib.b>=1&&(H=xR(H,16));ib.c<=2&&ib.b>=2&&(H=xR(H,32));ib.c<=3&&ib.b>=3&&(H=xR(H,64));ib.b>3&&s1.Es(a,(U?'!R':'R')+ib.b);if(fR(H,0)!=0){if(U)o=xR(o,H);else if(vR(aR(o,120),0))o=aR(o,wR(H));else{H=GR(H,120);o=xR(o,H)}}continue}if(c[d]==114){++d;d+=s1.Ns(ib,d,1);if(ib.a){U?(o=xR(o,384)):(o=xR(o,8));continue}sb=ib.c;ib.b>ib.c&&s1.Es(a,(U?'!r':'r')+('{'+ib.c+'-'+ib.b+'}'));!U&&sb>=3&&sb<=7?(o=xR(o,n1.iR(sb<<22))):ib.b>ib.c||s1.Es(a,(U?'!r':'r')+sb);continue}if(c[d]==118){++d;d+=s1.Ns(ib,d,1);yb=ib.c;ib.b>ib.c&&s1.Es(a,(U?'!v':'v')+('{'+ib.c+'-'+ib.b+'}'));!U&&yb<=14?(h=yb):ib.b>ib.c||s1.Es(a,(U?'!v':'v')+yb);continue}if(c[d]==36){d+=s1.zs(a,c,d,nb);continue}if(i&&(c[d]==59||c[d]==38)){a.o=true;++d;continue}if(i&&c[d]==44&&s1.rs(c,d,tb)){a.o=true;d+=tb[0]+1;continue}throw $Q(new o1.jK("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&d2)+G4+d))}}else if(wb==42){p=6;o=xR(o,1)}else if(wb==63){p=0}else if((wb==65||wb==97)&&i){p=6;o=xR(o,1);o=xR(o,wb==65?4:2);a.o=true}else{switch(String.fromCharCode(wb).toUpperCase().charCodeAt(0)){case 66:if(d<e&&c[d]==114){p=35;++d}else p=5;break;case 67:if(d<e&&c[d]==108){p=17;++d}else p=6;break;case 70:p=9;break;case 73:p=53;break;case 78:p=7;break;case 79:p=8;break;case 80:p=15;break;case 83:p=16;}}if(p==-1&&wb!=63)throw $Q(new o1.jK('SmilesParser: unknown element label found. Position:'+(d-1)));k=s1.Ti(a.j,p);s1.cl(a.j,k,A);s1.kl(a.j,k,Y,false);s1.al(a.j,k,h);if(fR(o,0)!=0){a.o=true;if(vR(aR(o,2),0)){o=aR(o,-3);s1.ll(a.j,k,true);++a.b}else{s1.ll(a.j,k,false)}s1.ol(a.j,k,o,true)}if(m.a.a.length!=0){a.o=true;W=jM(n1.EN,l2,5,m.a.a.length,15,1);for(P=0;P<m.a.a.length;P++)W[P]=(P<0?null:t1.Xh(m.a,P)).a;s1.il(a.j,k,W);r1.i1(m.a.a).length=0}else{if(String.fromCharCode(wb).toLowerCase().charCodeAt(0)==wb&&o1.WS(wb)){if(p!=5&&p!=6&&p!=7&&p!=8&&p!=15&&p!=16&&p!=33&&p!=34)throw $Q(new o1.jK('SmilesParser: atomicNo '+p+' must not be aromatic. Position:'+(d-1)));s1.ll(a.j,k,true);++a.b}else{s1.ll(a.j,k,false)}}if(nb.a.length!=0){for(K=new t1.IZ(nb);K.a<K.c.a.length;){J=t1.HZ(K);s1.vl(J,0,0);s1.bj(b,J,k)}r1.i1(nb.a).length=0}if(G!=-1&&p!=1){w=jM(n1.AN,G3,5,1,15,1);w[0]=G<<24>>24;s1.gl(a.j,k,w)}I=q[v];if(q[v]!=-1&&t!=512){r=s1.Vi(a.j,q[v],k,t);if(s!=0){a.o=true;s1.El(a.j,r,s,true)}}t=1;s=0;q[v]=k;if(n!=0){s1.ml(a.j,k,n);n=0}if(g){eb=!hb?null:t1.fZ(hb,o1.iU(I));!!eb&&s1.Js(eb,k,d);if(gb){!hb&&(hb=new t1.d_);O=G==9?0:G;t1.X$(hb,o1.iU(k),new s1.Ms(k,d-2,I,O,S))}}continue}if(wb==36){if(nb.a.length!=0)throw $Q(new o1.jK('SmilesParser: multiple recursive SMARTS without preceding atom are not supported yet. Position:'+(d-1)));q[v]=b.o;d+=s1.zs(a,c,d-1,nb);s1.Wi(b,(r1.$0(0,nb.a.length),nb.a[0]));r1.i1(nb.a).length=0;continue}if(wb==46){q[v]=-1;t=512;continue}if(wb==45||wb==61||wb==35||wb==36||wb==58||wb==47||wb==92||wb==60||wb==126||wb==33||wb==64){if(ub)throw $Q(new o1.jK("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(wb)+G4+(d-1)));D=0;while(wb==45||wb==61||wb==35||wb==36||wb==58||wb==47||wb==92||wb==60||wb==126||wb==33||wb==64){if(wb==33){wb=c[d++]&d2;if(wb==64)s|=128;else if(wb==45&&c[d]==62||wb==60&&c[d]==45){D|=32;++d}else if(wb==45)D|=1;else if(wb==61)D|=2;else if(wb==35)D|=4;else if(wb==36)D|=32;else if(wb==58)D|=8;else throw $Q(new o1.jK("SmilesParser: bond symbol '"+String.fromCharCode(wb)+"' not allowed after '!'. Position:"+(d-1)))}else{if(wb==64)s|=256;else if(wb==61)t=2;else if(wb==35)t=4;else if(wb==36)t=8;else if(wb==58)t=64;else if(wb==126)s|=15;else if(wb==47){g&&(t=257)}else if(wb==92){g&&(t=129)}else if(wb==45&&c[d]==62||wb==60&&c[d]==45){t=32;++d}if(c[d]==44){s|=(t==32?62:wb)==61?2:(t==32?62:wb)==35?4:(t==32?62:wb)==36?32:(t==32?62:wb)==58?8:(t==32?62:wb)==62?16:(t==32?62:wb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){s|=16;d+=3}else{s|=s1.ns(c[d+1]&d2);d+=2}}}}if(c[d]==59){++d;wb=c[d++]&d2;continue}D!=0&&(s|=31&~D);break}continue}if(wb<=32){d=e;continue}if(US(wb)){bb=wb-48;if(ub){while(d<e&&US(c[d]&d2)){bb=10*bb+c[d]-48;++d}n=bb}else{u=T?d-3:d-2;M=c[u]==45||c[u]==47||c[u]==92||c[u]==61||c[u]==35||c[u]==36||c[u]==58||c[u]==62||c[u]==126;if(T&&d<e&&US(c[d]&d2)){bb=10*bb+c[d]-48;T=false;++d}if(bb>=ob.length){if(bb>=100)throw $Q(new o1.jK('SmilesParser: ringClosureAtom number out of range: '+bb));cb=ob.length;ab=ob.length;while(ab<=bb)ab=$wnd.Math.min(100,ab+16);ob=(r1.Y0(ab),t1.QZ(ob,jM(n1.EN,l2,5,ab,15,1),0,ab));rb=(r1.Y0(ab),t1.QZ(rb,jM(n1.EN,l2,5,ab,15,1),0,ab));qb=(r1.Y0(ab),t1.QZ(qb,jM(n1.EN,l2,5,ab,15,1),0,ab));pb=(r1.Y0(ab),t1.QZ(pb,jM(n1.EN,l2,5,ab,15,1),0,ab));for(P=cb;P<ab;P++)ob[P]=-1}if(ob[bb]==-1){ob[bb]=q[v];rb[bb]=d-1;qb[bb]=M?t:-1;pb[bb]=M?s:0}else{if(ob[bb]==q[v])throw $Q(new o1.jK('SmilesParser: ring closure to same atom'));if(g&&!!hb){eb=t1.fZ(hb,o1.iU(ob[bb]));!!eb&&s1.Js(eb,q[v],rb[bb]);eb=t1.fZ(hb,o1.iU(q[v]));!!eb&&s1.Js(eb,ob[bb],d-1)}qb[bb]!=-1?(t=qb[bb]):t==257?(t=129):t==129&&(t=257);r=s1.Vi(a.j,ob[bb],q[v],t);pb[bb]!=0&&(s=pb[bb]);if(s!=0){a.o=true;s1.El(a.j,r,pb[bb],true)}ob[bb]=-1}t=1;s=0}continue}if(wb==43){throw $Q(new o1.jK("SmilesParser: '+' found outside brackets. Position:"+(d-1)))}if(wb==40){if(q[v]==-1){N=true;continue}++v;q.length==v&&(q=t1.PZ(q,q.length+32));q[v]=q[v-1];continue}if(wb==41){if(v==0){if(!N)throw $Q(new o1.jK("SmilesParser: Closing ')' without opening counterpart. 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false;if(s1.Pj(a.j,b)==16||s1.Pj(a.j,b)==34||s1.Pj(a.j,b)==52){if(s1.Rm(a.j,b)==2&&s1.yj(a.j,b)<=0)return false;return d!=2}return true};s1.Ds=function Ds(a,b){a.k=b};s1.Es=function Es(a,b){if(a.e){!a.q&&(a.q=new o1.hV);o1.eV(a.q,' ');o1.eV(a.q,b)}};s1.Fs=function Fs(){s1.Gs.call(this,0)};s1.Gs=function Gs(a){this.i=a&-4;this.p=a&3;this.a=(a&16)==0;this.n=(a&32)!=0;this.e=(a&64)!=0;this.g=(a&8)!=0;this.d=2;(a&4)!=0&&(this.d|=1);this.g&&(this.d&=-3)};QR(62,1,{},s1.Fs,s1.Gs);_.a=false;_.b=0;_.c=0;_.d=0;_.e=false;_.g=false;_.i=0;_.k=0;_.n=false;_.o=false;_.p=0;n1.uO=hT(62);s1.Hs=function Hs(){};QR(145,1,{},s1.Hs);_.a=0;_.b=0;_.c=false;_.d=false;n1.rO=hT(145);s1.Is=function Is(a,b){this.a=a;this.b=b};QR(93,1,{93:1},s1.Is);_.a=0;_.b=0;n1.sO=hT(93);s1.Js=function Js(a,b,c){if(!a.c){if(a.e.a.length==4){a.c=true;return}t1.Sh(a.e,new s1.Is(b,c))}};s1.Ks=function Ks(a,b){var c,d;if(a.c)return 3;for(d=new t1.IZ(a.e);d.a<d.c.a.length;){c=t1.HZ(d);c.a!=2147483646&&c.a!=W1&&(c.a=b[c.a])}if(a.e.a.length==3)t1.Sh(a.e,new s1.Is(W1,a.b));else if(a.e.a.length!=4)return 3;return a.d^s1.Ls(a)?1:2};s1.Ls=function Ls(a){var b,c,d;c=false;for(b=1;b<a.e.a.length;b++){for(d=0;d<b;d++){t1.Xh(a.e,d).a>t1.Xh(a.e,b).a&&(c=!c);t1.Xh(a.e,d).b>t1.Xh(a.e,b).b&&(c=!c)}}return c};s1.Ms=function Ms(a,b,c,d,e){if(d!=0&&d!=1){this.c=true}else{this.a=a;this.b=b;this.d=e;this.e=new t1.ki;c!=-1&&s1.Js(this,c,b-1);c!=-1&&d==1&&s1.Js(this,2147483646,b+1)}};QR(111,1,{111:1},s1.Ms);_.a=0;_.b=0;_.c=false;_.d=false;n1.tO=hT(111);s1.Ns=function Ns(a,b,c){var d,e,f,g,h;a.a=false;a.d=b;if(US(a.e[b]&d2)){h=s1.Os(a);a.c=a.b=h;d=b-1;while(d>1&&XS(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=s1.Os(a);a.c>h?(a.c=h):a.b<h&&(a.b=h)}return a.d-b}if(a.e[b]==123&&US(a.e[b+1]&d2)){++a.d;a.c=s1.Os(a);if(a.e[a.d++]!=45)return 0;if(!US(a.e[a.d]&d2))return 0;a.b=s1.Os(a);if(a.e[a.d++]!=125)return 0;return a.d-b}a.c=1;a.b=c;a.a=true;return 0};s1.Os=function Os(a){var b;b=a.e[a.d++]-48;US(a.e[a.d]&d2)&&(b=10*b+(a.e[a.d++]-48));return b};s1.Ps=function Ps(a){return '{'+a.c+'-'+a.b+'}'};s1.Qs=function Qs(a){this.e=a};QR(144,1,{},s1.Qs);_.lb=function Rs(){return s1.Ps(this)};_.a=false;_.b=0;_.c=0;_.d=0;n1.vO=hT(144);s1.Ss=function Ss(a){a.c=new t1.ki};s1.Ts=function Ts(a,b){var c,d,e,f;f=a.c.a.length;if(f==0){t1.Rh(a.c,0,b);return 0}e=1;while(2*e<=f)e<<=1;d=e;--e;while(d!=0){d>>=1;if(e>=f){e-=d;continue}c=o1.yU(b,t1.Xh(a.c,e));if(c==0)return -1;if(d==0)break;c<0?(e-=d):(e+=d)}e<f&&o1.yU(b,t1.Xh(a.c,e))>0&&++e;t1.Rh(a.c,e,b);return e};s1.Us=function Us(a,b){var c,d,e,f;f=a.c.a.length;if(f==0)return -1;e=1;while(2*e<=f)e<<=1;d=e;--e;while(d!=0){d>>=1;if(e>=f){e-=d;continue}c=o1.yU(b,t1.Xh(a.c,e));if(c==0)return e;if(d==0)break;c<0?(e-=d):(e+=d)}return -1};s1.Vs=function Vs(){s1.Ss(this)};QR(123,1,F3,s1.Vs);n1.wO=hT(123);s1.Ws=function 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1:{C=a.g[b];if(C==0){k=s1.Mm(a,true);n=0}else{k=I-s1.Mj(a,a.f[b][0]);n=J-s1.Nj(a,a.f[b][0])}if(C==1){t=s1.Si(a,I+u1.Vt*k+u1.$t*n,J-u1.$t*k+u1.Vt*n,0)}else if(C==2){k=I-0.5*(s1.Mj(a,a.f[b][0])+s1.Mj(a,a.f[b][1]));n=J-0.5*(s1.Nj(a,a.f[b][0])+s1.Nj(a,a.f[b][1]));t=s1.Si(a,I+k,J+n,0)}else if(C==3){F=a.f[b][0];for(r=1;r<3;r++){h=a.i[b][r];(a.F[h]==129||a.F[h]==257)&&(F=a.f[b][r])}c=$wnd.Math.abs(s1.gm(s1.fm(a.H[b].a,a.H[b].b,s1.Mj(a,a.f[b][0]),s1.Nj(a,a.f[b][0])),s1.fm(a.H[b].a,a.H[b].b,s1.Mj(a,a.f[b][1]),s1.Nj(a,a.f[b][1]))));d=$wnd.Math.abs(s1.gm(s1.fm(a.H[b].a,a.H[b].b,s1.Mj(a,a.f[b][0]),s1.Nj(a,a.f[b][0])),s1.fm(a.H[b].a,a.H[b].b,s1.Mj(a,a.f[b][2]),s1.Nj(a,a.f[b][2]))));e=$wnd.Math.abs(s1.gm(s1.fm(a.H[b].a,a.H[b].b,s1.Mj(a,a.f[b][1]),s1.Nj(a,a.f[b][1])),s1.fm(a.H[b].a,a.H[b].b,s1.Mj(a,a.f[b][2]),s1.Nj(a,a.f[b][2]))));D=true;if(c>d&&c>e){if(d+e<K2){D=false;k=I-0.5*(s1.Mj(a,a.f[b][0])+s1.Mj(a,a.f[b][1]));n=J-0.5*(s1.Nj(a,a.f[b][0])+s1.Nj(a,a.f[b][1]))}}else if(d>c&&d>e){if(c+e<K2){D=false;k=I-0.5*(s1.Mj(a,a.f[b][0])+s1.Mj(a,a.f[b][2]));n=J-0.5*(s1.Nj(a,a.f[b][0])+s1.Nj(a,a.f[b][2]))}}else{if(c+d<K2){D=false;k=I-0.5*(s1.Mj(a,a.f[b][1])+s1.Mj(a,a.f[b][2]));n=J-0.5*(s1.Nj(a,a.f[b][1])+s1.Nj(a,a.f[b][2]))}}if(D){G=a.f[b][0];j=T3;for(q=0;q<3;q++){f=a.f[b][q];if(f!=F){i=$wnd.Math.pow(a.H[b].a-a.H[f].a,2)+$wnd.Math.pow(a.H[b].b-a.H[f].b,2);if(i<j){G=f;j=i;o1.mV();String.fromCharCode(10)}}}t=s1.Si(a,(a.H[F].a+a.H[G].a)/2,(a.H[F].b+a.H[G].b)/2,0)}else{t=s1.Si(a,I+k,J+n,0)}}else{t=s1.Si(a,I+k,J+n,0)}s1.vl(a,t,1);s1.Vi(a,b,t,1)}break;case 2:B=a.g[b];if(B==1){k=I-s1.Mj(a,a.f[b][0]);n=J-s1.Nj(a,a.f[b][0]);t=s1.Si(a,I+(u1.Wt*k-u1._t*n)*0.7,J+(u1._t*k+u1.Wt*n)*0.7,0);s1.vl(a,t,1);s1.Vi(a,b,t,1);t=s1.Si(a,I+(u1.Tt*k-u1.Yt*n)*0.7,J+(u1.Yt*k+u1.Tt*n)*0.7,0);s1.vl(a,t,1);s1.Vi(a,b,t,1)}else if(B==2){l=I-s1.Mj(a,a.f[b][0]);o=J-s1.Nj(a,a.f[b][0]);m=I-s1.Mj(a,a.f[b][1]);p=J-s1.Nj(a,a.f[b][1]);v=$wnd.Math.sqrt(l*l+o*o)*0.7;w=$wnd.Math.sqrt(m*m+p*p)*0.7;k=l+m;n=o+p;u=$wnd.Math.sqrt(k*k+n*n);g=(v+w)/2;k=k/u*g;n=n/u*g;H=s1.wn(a,b);t=s1.Si(a,I+u1.St*k-u1.Xt*n,J+u1.Xt*k+u1.St*n,0);s1.vl(a,t,1);H>-1?s1.Vi(a,b,t,1):s1.Vi(a,b,t,257);t=s1.Si(a,I+u1.Ut*k-u1.Zt*n,J+u1.Zt*k+u1.Ut*n,0);s1.vl(a,t,1);s1.Vi(a,b,t,1)}else{for(s=0;s<A;s++){t=s1.Si(a,I,J,0);s1.vl(a,t,1);s1.Vi(a,b,t,1)}}break;case 3:{if(a.f[b][0]>0){k=(I-s1.Mj(a,a.f[b][0]))*0.7;n=(J-s1.Nj(a,a.f[b][0]))*0.7;t=s1.Si(a,I+k,J+n,0);s1.vl(a,t,1);s1.Vi(a,b,t,1);t=s1.Si(a,I-n,J+k,0);s1.vl(a,t,1);s1.Vi(a,b,t,1);t=s1.Si(a,I+n,J-k,0);s1.vl(a,t,1);s1.Vi(a,b,t,1)}else{k=s1.Mm(a,true);n=s1.Mm(a,true);t=s1.Si(a,I+k,J+n,0);s1.vl(a,t,1);s1.Vi(a,b,t,1);t=s1.Si(a,I-n*u1.Wt,J+k*u1._t,0);s1.vl(a,t,1);s1.Vi(a,b,t,1);t=s1.Si(a,I-n*u1.Wt,J-k*u1._t,0);s1.vl(a,t,1);s1.Vi(a,b,t,1)}}break;default:{for(s=0;s<A;s++){t=s1.Si(a,I,J,0);s1.vl(a,t,1);s1.Vi(a,b,t,1)}break}}};u1.du=function du(a){u1.au();var b,c;s1.Ys(a,1);c=0;for(b=0;b<a.o;b++){a.A[b]==1?++c:(c+=a.c[b]-a.g[b]+s1.dn(a,b))}return c};u1.St=0;u1.Tt=0;u1.Ut=0;u1.Vt=0;u1.Wt=0;u1.Xt=0;u1.Yt=0;u1.Zt=0;u1.$t=0;u1._t=0;v1.fu=function fu(a,b,c){var d,e,f;f=b.length;d=new v1.Mv(a.f,f,false);d.a[0]=0;d.b[0]=0;for(e=0;e<f;e++){d.k[e]=128-f;d.e[e]=b[e]}f<8?v1.ou(d):v1.mu(a,d,b,c);v1.Wu(a.d,d)};v1.gu=function gu(a,b,c,d,e){var f,g,h,i,j,k,l,m;g=jM(n1.EN,l2,5,e,15,1);for(f=0;f<a.f.o;f++){for(i=0;i<s1.Cm(a.f,f);i++){m=c[s1.Qm(a.f,f,i)];for(j=0;j<i;j++)if(m<g[j])break;for(k=i;k>j;k--)g[k]=g[k-1];g[j]=m}l=s1.Cm(a.f,f);s1.dg(b[f],f);s1.ag(b[f],d,n1.iR(c[f]));s1.ag(b[f],(e-l)*(d+1),0);for(h=0;h<l;h++)s1.ag(b[f],d+1,n1.iR(g[h]))}};v1.hu=function hu(a){var b,c,d,e,f,g,h,i,j,k,l;d=s1.Pf(a.f.d);i=2;for(c=0;c<a.f.d;c++)i=$wnd.Math.max(i,s1.Cm(a.f,c));f=(62+2*d+i*(d+1))/63|0;e=jM(n1.PN,E3,74,a.f.o,0,1);for(b=0;b<a.f.o;b++){e[b]=new s1.eg(f);s1.dg(e[b],b)}l=jM(n1.EN,l2,5,a.f.o,15,1);for(g=0;g<a.f.e;g++){h=s1.bk(a.f,g);if(h==1||h==2){s1.bg(e[s1.Uj(a.f,0,g)],n1.iR(h));s1.bg(e[s1.Uj(a.f,1,g)],n1.iR(h))}}j=v1.iu(e,l);do{k=j;v1.gu(a,e,l,d,i);j=v1.iu(e,l)}while(k!=j);return l};v1.iu=function iu(a,b){var c,d;d=0;t1._Z(a,0,a.length,null);for(c=0;c<a.length;c++){(c==0||s1.cg(a[c],a[c-1])!=0)&&++d;b[a[c].a]=d}return d};
87
+ v1.ju=function ju(a){var b,c,d,e,f,g,h,i,j,k,l,m;for(i=0;i<a.d.a.length;i++){h=t1.Xh(a.d,i);for(j=0;j<h.f.length;j++){d=h.f[j];if(s1.ak(a.f,d)==2){!s1.Yn(a.f,d)&&(s1.bk(a.f,d)==3||s1.bk(a.f,d)==0)&&s1.Dl(a.f,d);if(!s1.Vn(a.f,d)&&s1.Rm(a.f,s1.Uj(a.f,0,d))>1&&s1.Rm(a.f,s1.Uj(a.f,1,d))>1&&(s1.bk(a.f,d)==1||s1.bk(a.f,d)==2)){m=jM(n1.EN,l2,5,2,15,1);e=jM(n1.EN,l2,5,2,15,1);for(k=0;k<2;k++){m[k]=a.f.K;e[k]=s1.Uj(a.f,k,d);for(l=0;l<s1.Cm(a.f,e[k]);l++){f=s1.Qm(a.f,e[k],l);f!=s1.Uj(a.f,1-k,d)&&m[k]>f&&(m[k]=f)}}g=v1.qv(h.a[h.g[e[0]]],h.b[h.g[e[0]]],h.a[h.g[e[1]]],h.b[h.g[e[1]]]);b=v1.qv(h.a[h.g[m[0]]],h.b[h.g[m[0]]],h.a[h.g[e[0]]],h.b[h.g[e[0]]]);c=v1.qv(h.a[h.g[e[1]]],h.b[h.g[e[1]]],h.a[h.g[m[1]]],h.b[h.g[m[1]]]);v1.qu(g,b)<0^v1.qu(g,c)<0^s1.bk(a.f,d)==2&&v1.Av(h,d)}}}}};v1.ku=function ku(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;m=new t1.ki;r=new t1.ki;d=new t1.ki;for(f=new t1.IZ(a.d);f.a<f.c.a.length;){e=t1.HZ(f);g=0;r1.i1(d.a).length=0;for(h=0;h<e.e.length;h++){b=e.e[h];c=a.i[b];if(c!=0){t1.Sh(d,new v1.sv(e,h,c));g+=c}}if(g!=0){t1.hi(d,new v1._u);for(j=new t1.IZ(d);j.a<j.c.a.length;){i=t1.HZ(j);if(g*i.b>0){c=$wnd.Math.abs(g)>=$wnd.Math.abs(i.b)?i.b:g;g-=c;t1.Sh(c<0?m:r,new v1.sv(e,i.a,c));if(g==0)break}}}}if(m.a.length==0||r.a.length==0)return null;t1.hi(r,new v1.dv);t1.hi(m,new v1.hv);for(p=new t1.IZ(r);p.a<p.c.a.length;){n=t1.HZ(p);for(l=new t1.IZ(m);l.a<l.c.a.length;){k=t1.HZ(l);if(n.b==-k.b){a.i[v1.Ev(n.c,n.a)]-=n.b;a.i[v1.Ev(k.c,k.a)]-=k.b;return new v1.nv(n.c,k.c,n.a,k.a)}}}for(q=new t1.IZ(r);q.a<q.c.a.length;){n=t1.HZ(q);for(l=new t1.IZ(m);l.a<l.c.a.length;){k=t1.HZ(l);if(n.b>-k.b){a.i[v1.Ev(n.c,n.a)]+=k.b;a.i[v1.Ev(k.c,k.a)]-=k.b;return new v1.nv(n.c,k.c,n.a,k.a)}}}for(o=new t1.IZ(r);o.a<o.c.a.length;){n=t1.HZ(o);for(l=new t1.IZ(m);l.a<l.c.a.length;){k=t1.HZ(l);if(n.b<-k.b){a.i[v1.Ev(n.c,n.a)]-=n.b;a.i[v1.Ev(k.c,k.a)]+=n.b;return new v1.nv(n.c,k.c,n.a,k.a)}}}return null};v1.lu=function lu(a){if(a.d.a.length<2)return null;return new v1.mv(t1.Xh(a.d,0),t1.Xh(a.d,1))};v1.mu=function mu(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C;k=rM(dM(n1.CN,2),R1,15,0,[rM(dM(n1.CN,1),p3,5,15,[20]),null,null,rM(dM(n1.CN,1),p3,5,15,[0,10]),null,null,rM(dM(n1.CN,1),p3,5,15,[-4,12]),rM(dM(n1.CN,1),p3,5,15,[0,0,-7.5]),null,null,null,null,rM(dM(n1.CN,1),p3,5,15,[8,-8]),null,null,null,rM(dM(n1.CN,1),p3,5,15,[-2.4])]);l=rM(dM(n1.EN,2),D3,6,0,[rM(dM(n1.EN,1),l2,5,15,[146]),rM(dM(n1.EN,1),l2,5,15,[627]),null,rM(dM(n1.EN,1),l2,5,15,[2457,1170]),null,rM(dM(n1.EN,1),l2,5,15,[2451,8643,2519]),rM(dM(n1.EN,1),l2,5,15,[9362,14798]),rM(dM(n1.EN,1),l2,5,15,[34377,-2147448999,26214]),null,rM(dM(n1.EN,1),l2,5,15,[37449,137313,95703,34371,37815,54891,132867,-2147309741,54857,55129,-2147449005,-2147449065]),null,rM(dM(n1.EN,1),l2,5,15,[530697,531819,899169,137289,694617,-2146951863,-2146952797,-2146939175,-2146929547,-2146929564,-2146625111,-2146931799,-2146940503,-2146931935]),rM(dM(n1.EN,1),l2,5,15,[1007293,610915]),rM(dM(n1.EN,1),l2,5,15,[542985,137283,2122017,530691,2206773,-2144711351,219209,2840841,137555,-2146871031,-2147264167,613705,-2145360543,-2146625271,694611,2454837,-2145356703,-2147345133,-2146928951,-2146931805,-2144641719,-2146951869,-2146625237,-2146624183,2841963,1074905,-2146625117,2799955,-2144723645,138583,859225,-2145264843,-2145216253,-2146624149,-2144700727,-2146928917,-2143905527,-2144045771,-2146789097,2288547,544407,2104323,-2146911977,-2144479405,3633737,-2146870089,-2146952169]),null,rM(dM(n1.EN,1),l2,5,15,[8487297,2172633,2116611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8829813]),rM(dM(n1.EN,1),l2,5,15,[14071213])]);s=1<<b.e.length;g=0;i=0;if(b.e.length>7){for(n=0;n<b.e.length;n++){h=v1.uu(a,c,d,n);h==1?(g+=s):h==2&&(i+=s);g>>>=1;i>>>=1}}v=b.e.length-9;if(b.e.length>=9&&b.e.length<=25&&l[v]!=null){for(C=0;C<l[v].length;C++){r=(Z1&l[v][C])==0;j=W1&l[v][C];for(p=false;!p;p=!p){if(p){if(r)break;t=0;for(e=1;e!=s;e<<=1){t<<=1;(j&e)!=0&&(t|=1)}j=t}for(w=0;w<b.e.length;w++){if((j&g)==0&&(~j&i)==0){f=0;m=0.017453292519943295*(k[v]==null?0:k[v][C]);u=0;A=j;q=true;for(o=0;o<b.e.length;o++){q&&++u;(A&1)==0&&(q=!q);A>>>=1}B=u>(b.e.length/2|0);for(n=1;n<b.e.length;n++){b.a[n]=b.a[n-1]+$wnd.Math.sin(f);b.b[n]=b.b[n-1]+$wnd.Math.cos(f);(j&1)==0&&(B=!B);f+=m+(B?t3:L4);j>>>=1}return}(j&1)!=0&&(j|=s);j>>>=1}}}}v1.pu(b,g,i)};v1.nu=function nu(a){var b,c,d,e,f,g,h,i,j,k;b=null;j=null;for(g=0;g<a.f.e;g++){if(s1.dk(a.f,g)==32){c=s1.Uj(a.f,0,g);e=-1;h=0;for(;h<a.d.a.length;h++){e=v1.Fv(t1.Xh(a.d,h),c);if(e!=-1)break}d=s1.Uj(a.f,1,g);f=-1;i=0;for(;i<a.d.a.length;i++){f=v1.Fv(t1.Xh(a.d,i),d);if(f!=-1)break}if(h!=i){if(h>i){k=h;h=i;i=k;k=e;e=f;f=k}j==null&&(j=jM(n1.FO,R1,211,a.d.a.length,0,2));j[i]==null&&(j[i]=jM(n1.FO,{211:1,4:1,8:1},56,i,0,1));if(j[i][h])v1.kv(j[i][h],e,f);else{nM(j[i],h,new v1.nv(t1.Xh(a.d,h),t1.Xh(a.d,i),e,f));!b&&(b=new t1.ki);t1.Sh(b,j[i][h])}}}}return b};v1.ou=function ou(a){var b,c;b=K2-K2*(a.e.length-2)/a.e.length;for(c=1;c<a.e.length;c++){a.a[c]=a.a[c-1]+$wnd.Math.sin(b*(c-1));a.b[c]=a.b[c-1]+$wnd.Math.cos(b*(c-1))}};v1.pu=function pu(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r;if(b==0||(b&c)!=0){v1.ou(a);return}q=-1;r=0;f=1<<a.e.length-2;e=1<<a.e.length-1;h=1;g=2;for(j=0;j<a.e.length;j++){if((c&(e|h))==0&&(b&(e|h))!=0&&(b&f)==0){o=0;(c&f)!=0&&(o+=4);(b&e)!=0&&(o+=2);(b&h)!=0&&(o+=1);if(r<o){r=o;q=j}}f=e;e=h;h=g;g=1<<(j+2<a.e.length?j+2:j+2-a.e.length)}if(q==-1){v1.ou(a);return}m=0;m|=1<<q;n=2;while(n<a.e.length-1){l=q+n<a.e.length?q+n:q+n-a.e.length;e=1<<(l==0?a.e.length-1:l-1);if((c&e)!=0){++n;continue}h=1<<l;if((b&e)!=0){if((c&h)!=0){v1.ou(a);return}m|=h;n+=2;continue}g=1<<(l+1<a.e.length?l+1:l+1-a.e.length);if((b&h)!=0&&(c&g)!=0){m|=h;n+=3;continue}++n}if(m==0){v1.ou(a);return}d=K2-K2*(a.e.length-2)/a.e.length;for(k=1;k<a.e.length;k++){a.a[k]=a.a[k-1]+$wnd.Math.sin(d*(k-1));a.b[k]=a.b[k-1]+$wnd.Math.cos(d*(k-1))}h=1;p=2*$wnd.Math.sin(d/2);for(i=0;i<a.e.length;i++){if((m&h)!=0){a.a[i]+=p*$wnd.Math.cos(d*(i-0.5));a.b[i]-=p*$wnd.Math.sin(d*(i-0.5))}h<<=1}};v1.qu=function qu(a,b){var 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v1.Yu;a.b=jM(n1.VQ,F2,5,a.f.o,16,1);a.c=jM(n1.VQ,F2,5,a.f.p,16,1);a.i=jM(n1.EN,l2,5,a.f.o,15,1);for(c=0;c<a.f.o;c++)a.i[c]=s1.yj(a.f,c);(a.e&12)!=0&&v1.Mu(a);(a.e&1)==0&&!!v1.eu&&v1.Ou(a,v1.eu);v1.Lu(a);v1.Hu(a);v1.Ju(a);v1.Hu(a);for(e=new t1.IZ(a.d);e.a<e.c.a.length;){d=t1.HZ(e);v1.Iv(d)}v1.ju(a);v1.Pu(a);v1.Nu(a);v1.Gu(a);v1.Eu(a);v1.Iu(a);for(f=0;f<a.d.a.length;f++){d=t1.Xh(a.d,f);for(g=0;g<d.e.length;g++){s1.sl(a.f,d.e[g],d.a[g]);s1.tl(a.f,d.e[g],d.b[g]);s1.ul(a.f,d.e[g],0)}}if(h){s1.jo(a.f,i);s1.mo(a.f)}a.a&&s1.Tk(a.f)};v1.Cu=function Cu(a,b,c,d){var e,f;for(f=0;f<s1.Rm(a.f,c);f++){e=s1.Qm(a.f,c,f);if(e!=d&&e<b)return false}return true};v1.Du=function Du(a,b,c){var d;v1.lv(b,c,(a.e&12)!=0);d=v1.xu(a,b.b[0],b.b[1],0);v1.Su(a,b.b[0],b.b[1],d)};v1.Eu=function Eu(a){var b;b=v1.ku(a);while(b){v1.Du(a,b,1.5);b=v1.ku(a)}};v1.Fu=function Fu(a,b,c,d){var 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0;C=e+$wnd.Math.sqrt(d);k=jM(n1.CN,p3,5,36,15,1);for(o=0;o<a.e.length;o++){f=v1.qv(b,c,a.a[o],a.b[o]);h=v1.xv(ER(lR($wnd.Math.round(f*36/J2))));l=b-a.a[o];m=c-a.b[o];F=l*l+m*m;k[h]<F&&(k[h]=F)}v=-1;u=-1;for(p=0;p<36;p++){k[p]=$wnd.Math.sqrt(k[p]);if(v<k[p]){v=k[p];u=p}}D=u-18<0?u-18+36:u-18>=36?u-18-36:u-18;for(q=0;q<=18;q++){k[D+q<0?D+q+36:D+q>=36?D+q-36:D+q]+=0.01*q;k[D-q<0?D-q+36:D-q>=36?D-q-36:D-q]+=0.01*q}G=jM(n1.CN,p3,5,9,15,1);i=jM(n1.CN,p3,5,9,15,1);for(r=1;r<9;r++){G[r]=$wnd.Math.sin(r*O4);i[r]=$wnd.Math.cos(r*O4)}A=T3;w=-1;for(g=0;g<36;g++){if(k[g]>=A)continue;t=k[g];for(n=1;n<9;n++){for(s=-1;s<=1;s+=2){B=g+s*n<0?g+s*n+36:g+s*n>=36?g+s*n-36:g+s*n;if(k[B]*i[n]<=t)continue;j=i[n]*$wnd.Math.min(k[B],C/G[n]);if(t<j){t=j;if(A<=t)break}}if(A<=t)break}if(A>t){A=t;w=g}}return J2*w/36};v1.xv=function xv(a){return a<0?a+36:a>=36?a-36:a};v1.yv=function yv(a,b){var c,d,e;if(b.e.length!=a.e.length)return false;d=v1.Gv(a);e=v1.Gv(b);for(c=0;c<d.length;c++)if(d[c]!=e[c])return false;return true};v1.zv=function zv(a,b,c){var d,e,f;for(f=0;f<a.e.length;f++){e=$wnd.Math.sqrt((a.a[f]-b)*(a.a[f]-b)+(a.b[f]-c)*(a.b[f]-c));d=0-v1.qv(b,c,a.a[f],a.b[f]);a.a[f]=b+e*$wnd.Math.sin(d);a.b[f]=c+e*$wnd.Math.cos(d)}};v1.Av=function Av(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;a.d==null&&(a.d=jM(n1.EN,D3,6,a.j.p,0,2));if(a.d[b]==null){n=jM(n1.EN,l2,5,a.e.length,15,1);t=jM(n1.VQ,F2,5,a.j.o,16,1);e=s1.Uj(a.j,0,b);f=s1.Uj(a.j,1,b);n[0]=e;t[e]=true;k=0;o=0;while(k<=o){for(q=0;q<s1.Cm(a.j,n[k]);q++){g=s1.Qm(a.j,n[k],q);if(!t[g]&&g!=f){n[++o]=g;t[g]=true}}if(k==o)break;++k}m=o+1>(a.e.length/2|0);if(a.i){i=false;h=false;for(q=0;q<a.e.length;q++){d=a.e[q];s1.Ek(a.j,d)&&d!=e&&d!=f&&(t[a.e[q]]?(i=true):(h=true))}i!=h&&(m=i)}j=2;a.d[b]=jM(n1.EN,l2,5,m?a.e.length-o:o+2,15,1);for(r=0;r<a.e.length;r++){a.e[r]==e?(a.d[b][m?0:1]=r):a.e[r]==f?(a.d[b][m?1:0]=r):m^t[a.e[r]]&&(a.d[b][j++]=r)}}v=a.a[a.d[b][0]];w=a.b[a.d[b][0]];u=v1.qv(v,w,a.a[a.d[b][1]],a.b[a.d[b][1]]);for(p=2;p<a.d[b].length;p++){s=a.d[b][p];l=$wnd.Math.sqrt((a.a[s]-v)*(a.a[s]-v)+(a.b[s]-w)*(a.b[s]-w));c=2*u-v1.qv(v,w,a.a[s],a.b[s]);a.a[s]=v+l*$wnd.Math.sin(c);a.b[s]=w+l*$wnd.Math.cos(c)}};v1.Bv=function Bv(a,b){return a.a[b]};v1.Cv=function Cv(a,b){return a.b[b]};v1.Dv=function Dv(a){var b,c,d,e,f,g,h,i;a.c=0;c=new t1.ki;for(e=1;e<a.e.length;e++){for(f=0;f<e;f++){h=$wnd.Math.abs(a.a[e]-a.a[f]);i=$wnd.Math.abs(a.b[e]-a.b[f]);d=$wnd.Math.sqrt(h*h+i*i);if(d<0.8){b=jM(n1.EN,l2,5,2,15,1);b[0]=a.e[e];b[1]=a.e[f];r1.F0(c.a,b)}g=1-$wnd.Math.min(d,1);a.c+=g*g}}return c};v1.Ev=function Ev(a,b){return a.e[b]};v1.Fv=function Fv(a,b){var c;for(c=0;c<a.e.length;c++)if(b==a.e[c])return c;return -1};v1.Gv=function Gv(a){if(a.n==null){a.n=t1.PZ(a.e,a.e.length);r1.H0(a.n,r1.i1(TR(t1.l$.prototype.bc,t1.l$,[])))}return a.n};v1.Hv=function Hv(a,b){var c;for(c=0;c<a.e.length;c++)if(b==a.e[c])return true;return false};v1.Iv=function Iv(a){var b,c,d,e,f,g;d=0;for(f=0;f<a.e.length;f++){b=a.e[f];c=s1.Cm(a.j,b);for(g=0;g<c;g++)s1.Qm(a.j,b,g)>b&&++d}a.f=jM(n1.EN,l2,5,d,15,1);a.g=jM(n1.EN,l2,5,a.j.o,15,1);d=0;for(e=0;e<a.e.length;e++){b=a.e[e];c=s1.Cm(a.j,b);a.g[b]=e;for(g=0;g<c;g++)s1.Qm(a.j,b,g)>b&&(a.f[d++]=s1.Sm(a.j,b,g))}};v1.Jv=function Jv(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;o=a.a[b];s=a.b[b];f=jM(n1.GO,_1,22,4,0,1);k=0;for(l=0;l<a.f.length;l++){if(k>=4)break;if(b==a.g[s1.Uj(a.j,0,a.f[l])]||b==a.g[s1.Uj(a.j,1,a.f[l])])continue;p=a.a[a.g[s1.Uj(a.j,0,a.f[l])]];t=a.b[a.g[s1.Uj(a.j,0,a.f[l])]];q=a.a[a.g[s1.Uj(a.j,1,a.f[l])]];u=a.b[a.g[s1.Uj(a.j,1,a.f[l])]];h=$wnd.Math.sqrt((p-o)*(p-o)+(t-s)*(t-s));i=$wnd.Math.sqrt((q-o)*(q-o)+(u-s)*(u-s));e=$wnd.Math.sqrt((q-p)*(q-p)+(u-t)*(u-t));if(h<e&&i<e){if(p==q){g=$wnd.Math.abs(o-p);g<0.5&&(f[k++]=new v1.ov(v1.qv(p,s,o,s),(0.5-g)/2))}else if(t==u){g=$wnd.Math.abs(s-t);g<0.5&&(f[k++]=new v1.ov(v1.qv(o,t,o,s),(0.5-g)/2))}else{m=(u-t)/(q-p);n=-1/m;c=t-m*p;d=s-n*o;r=(d-c)/(m-n);v=m*r+c;g=$wnd.Math.sqrt((r-o)*(r-o)+(v-s)*(v-s));g<0.5&&(f[k++]=new v1.ov(v1.qv(r,v,o,s),(0.5-g)/2))}continue}if(h<0.5){f[k++]=new v1.ov(v1.qv(p,t,o,s),(0.5-h)/2);continue}if(i<0.5){f[k++]=new v1.ov(v1.qv(q,u,o,s),(0.5-i)/2);continue}}if(k>0){j=v1.Vu(f,k);a.a[b]+=j.b*$wnd.Math.sin(j.a);a.b[b]+=j.b*$wnd.Math.cos(j.a)}};v1.Kv=function Kv(a,b,c,d){var e,f,g;for(g=0;g<a.e.length;g++){f=$wnd.Math.sqrt((a.a[g]-b)*(a.a[g]-b)+(a.b[g]-c)*(a.b[g]-c));e=v1.qv(b,c,a.a[g],a.b[g])+d;a.a[g]=b+f*$wnd.Math.sin(e);a.b[g]=c+f*$wnd.Math.cos(e)}};v1.Lv=function Lv(a,b,c){var d;for(d=0;d<a.e.length;d++){a.a[d]+=b;a.b[d]+=c}};v1.Mv=function Mv(a,b,c){this.j=a;this.i=c;this.e=jM(n1.EN,l2,5,b,15,1);this.k=jM(n1.EN,l2,5,b,15,1);this.a=jM(n1.CN,p3,5,b,15,1);this.b=jM(n1.CN,p3,5,b,15,1)};
88
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dH(a){this.a=a};A1.mH=function mH(){return new A1.dH(new x1.Hw)};A1.nH=function nH(a,b){var c,d;d=jM(n1.xO,R1,21,a.length,0,1);for(c=0;c<a.length;c++){d[c]=a[c].a}return new A1.dH(new x1.Jw(d,b))};A1.oH=function oH(a){return new A1.dH(w1.Sv(a))};A1.pH=function pH(a){var b,c;c=s1.ys(new s1.Fs,r1.O0((b=a,r1.J0(),b)));return new A1.dH(c)};QR(55,1,{},A1.dH);_.addCatalyst=function eH(a){x1.hw(this.a,a.a)};_.addCatalystAt=function fH(a,b){x1.iw(this.a,a.a,b)};_.addProduct=function gH(a){x1.jw(this.a,a.a)};_.addProductAt=function hH(a,b){x1.kw(this.a,a.a,b)};_.addReactant=function iH(a){x1.lw(this.a,a.a)};_.addReactantAt=function jH(a,b){x1.mw(this.a,a.a,b)};_.clear=function kH(){x1.nw(this.a)};_.clone=function lH(){return new A1.dH(new x1.Iw(this.a))};_.getAverageBondLength=function qH(){return x1.pw(this.a)};_.getCatalyst=function rH(a){return new A1.LB(x1.qw(this.a,a))};_.getCatalysts=function sH(){return this.a.a.a.length};_.getHighestMapNo=function tH(){return 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hI(a,b){return s1.Iq(this.a,a,b)};_.isBondMember=function iI(a,b){return s1.Jq(this.a,a,b)};_.isDelocalized=function jI(a){return s1.Kq(this.a,a)};_.qualifiesAsAmideTypeBond=function kI(a){return s1.Nq(this.a,a)};_.validateMemberIndex=function lI(a,b){return s1.Tq(this.a,a,b)};A1.PH=7;A1.QH=3;A1.RH=7;A1.SH=5;A1.TH=1;n1.XO=hT(138);A1.mI=function mI(a,b){this.a=new w1.gw(new J1.qS(a),b)};QR(182,1,{},A1.mI);_.getField=function nI(a){var b,c;c=w1.dw(this.a);for(b=0;b<c.length;b++){if(o1.DU(c[b],a)){return w1.cw(this.a,b)}}return null};_.getFieldData=function oI(a){return w1.cw(this.a,a)};_.getFieldNames=function pI(a){return w1.ew(this.a,a)};_.getMolecule=function qI(){return new A1.LB(w1.fw(this.a))};_.getNextFieldData=function rI(){var a;return a=this.a.a.a,a};_.getNextMolFile=function sI(){var a;return a=this.a.f.a,a};_.getOCL=function tI(){return $wnd.OCL};_.next=function uI(){return w1._v(this.a)};n1.YO=hT(182);A1.vI=function vI(a){a.a=new s1.xr};A1.wI=function wI(a,b){s1.qr(a.a,b.a)};A1.xI=function xI(a,b){s1.rr(a.a,b.a)};A1.yI=function yI(){A1.vI(this)};QR(184,1,{},A1.yI);_.getOCL=function zI(){return $wnd.OCL};_.isFragmentInMolecule=function AI(){return s1.lr(this.a)};_.setFragment=function BI(a){A1.wI(this,a)};_.setMol=function CI(a,b){s1.rr(this.a,b.a);s1.qr(this.a,a.a)};_.setMolecule=function DI(a){A1.xI(this,a)};n1.$O=hT(184);A1.EI=function EI(a){a.a=new s1.Mr};A1.FI=function FI(){A1.EI(this)};A1.GI=function GI(a){return aU(a)};A1.II=function II(a){return s1.Nr(a)};A1.JI=function JI(a){return s1.Or(a)};A1.KI=function KI(){return s1.Dr(),s1.Br};A1.MI=function MI(a,b){return s1.Pr(a,b)};A1.NI=function NI(a,b){return s1.Qr(a,b)};QR(185,1,{},A1.FI);_.createIndex=function HI(a){return s1.Er(this.a,a.a)};_.getOCL=function LI(){return $wnd.OCL};_.isFragmentInMolecule=function OI(){return s1.Hr(this.a)};_.setFragment=function QI(a,b){s1.Kr(this.a,a.a,b)};_.setMolecule=function RI(a,b){s1.Lr(this.a,a.a,b)};n1.ZO=hT(185);A1.SI=function SI(h,a){a=a||{};var b=a.smartsMode||'smiles';var c=a.skipCoordinateTemplates||false;var d=a.makeHydrogenExplicit||false;var e=a.noCactvs||false;var f=a.singleDotSeparator||false;var g=a.createSmartsWarnings||false;h.Fb(b,c,d,e,f,g)};A1.TI=function TI(a){A1.SI(this,a)};QR(186,1,{},A1.TI);_.getSmartsWarning=function UI(){return s1.qs(this.a)};_.Fb=function VI(a,b,c,d,e,f){var g;g=0;switch(a){case 'smarts':g=2;break;case 'guess':g=1;}c&&(g|=8);b&&(g|=4);d&&(g|=16);e&&(g|=32);f&&(g|=64);this.a=new s1.Gs(g)};_.Gb=function WI(a,b,c,d){var e;s1.us(this.a,a.a,r1.O0((e=b,r1.J0(),e)),c,d);return a};_.parseMolecule=function XI(a,b){b=b||{};var c=b.molecule||new A1.JB;var d=!b.noCoordinates;var e=!b.noStereo;return this.Gb(c,a,d,e)};_.parseReaction=function YI(a){return new A1.dH(s1.xs(this.a,a))};_.setRandomSeed=function ZI(a){s1.Ds(this.a,n1.iR(a))};n1._O=hT(186);A1.$I=function $I(){};A1._I=function _I(a,b){b=b||{};var c=(typeof b.maxSphereSize===U4?5:b.maxSphereSize)|0;var d=(typeof b.type===U4?0:b.type)|0;return u1.Qt(a,c,d)};QR(187,1,{},A1.$I);n1.aP=hT(187);A1.aJ=function aJ(a){s1.xp();s1.Bp.call(this,a)};QR(137,81,{81:1},A1.aJ);RR(_,{absoluteWeight:{'get':function bJ(){return s1.yp(this)}}});RR(_,{formula:{'get':function cJ(){return s1.zp(this)}}});RR(_,{relativeWeight:{'get':function dJ(){return s1.Ap(this)}}});n1.bP=hT(137);A1.eJ=function eJ(a,b){var c,d;d={};c=a.w[b];A1.pJ(d,'aromatic',nR(aR(c,2),0));A1.pJ(d,'notAromatic',nR(aR(c,4),0));A1.pJ(d,'notChain',nR(aR(c,8),0));A1.pJ(d,'not2RingBonds',nR(aR(c,16),0));A1.pJ(d,'not3RingBonds',nR(aR(c,32),0));A1.pJ(d,'not4RingBonds',nR(aR(c,64),0));A1.pJ(d,'noMoreNeighbours',nR(aR(c,o3),0));A1.pJ(d,'moreNeighbours',nR(aR(c,N2),0));A1.pJ(d,'matchStereo',nR(aR(c,n3),0));A1.pJ(d,'not0PiElectrons',nR(aR(c,M2),0));A1.pJ(d,'not1PiElectron',nR(aR(c,X3),0));A1.pJ(d,'not2PiElectrons',nR(aR(c,c2),0));A1.pJ(d,'not0Hydrogen',nR(aR(c,128),0));A1.pJ(d,'not1Hydrogen',nR(aR(c,256),0));A1.pJ(d,'not2Hydrogen',nR(aR(c,512),0));A1.pJ(d,'not3Hydrogen',nR(aR(c,S2),0));A1.pJ(d,'not0Neighbours',nR(aR(c,H3),0));A1.pJ(d,'not1Neighbour',nR(aR(c,x3),0));A1.pJ(d,'not2Neighbours',nR(aR(c,w3),0));A1.pJ(d,'not3Neighbours',nR(aR(c,J3),0));A1.pJ(d,'not4Neighbours',nR(aR(c,Z2),0));A1.pJ(d,'notChargeNeg',nR(aR(c,V3),0));A1.pJ(d,'notCharge0',nR(aR(c,W3),0));A1.pJ(d,'noChargePos',nR(aR(c,134217728),0));A1.pJ(d,'ringSize0',nR(aR(c,q2),0));A1.pJ(d,'ringSize3',nR(aR(c,r2),0));A1.pJ(d,'ringSize4',nR(aR(c,s2),0));A1.pJ(d,'ringSize5',nR(aR(c,t2),0));A1.pJ(d,'ringSize6',nR(aR(c,u2),0));A1.pJ(d,'ringSize7',nR(aR(c,v2),0));A1.pJ(d,'ringSizeLarge',nR(aR(c,w2),0));return d};A1.fJ=function fJ(a,b){var c,d;d={};c=mR(a.D[b]);A1.pJ(d,'single',nR(aR(c,1),0));A1.pJ(d,'double',nR(aR(c,2),0));A1.pJ(d,'triple',nR(aR(c,4),0));A1.pJ(d,'delocalized',nR(aR(c,8),0));A1.pJ(d,'metalLigand',nR(aR(c,16),0));A1.pJ(d,'quadruple',nR(aR(c,32),0));A1.pJ(d,'quintuple',nR(aR(c,64),0));A1.pJ(d,'notRing',nR(aR(c,128),0));A1.pJ(d,'ring',nR(aR(c,256),0));A1.pJ(d,'aromatic',nR(aR(c,Z2),0));A1.pJ(d,'nonAromatic',nR(aR(c,v4),0));A1.qJ(d,'ringSize',ER(aR(c,_2))>>17);A1.qJ(d,'brigdeMin',ER(aR(c,7680))>>9);A1.qJ(d,'brigdeSpan',ER(aR(c,122880))>>13);return d};A1.pJ=function pJ(c,a,b){c[a]=b};A1.qJ=function qJ(c,a,b){c[a]=b};A1.sJ=function sJ(a){};A1.tJ=function tJ(a){!a.a&&(a.a=new s1.Mr);return a.a};A1.uJ=function uJ(){A1.sJ(this)};QR(134,1,{},A1.uJ);_.a=null;A1.rJ=null;n1.cP=hT(134);A1.vJ=function vJ(a){if(!a)return 0;var 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95
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98
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99
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100
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101
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102
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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xR(c,d)};n1.BN=jT('C');n1.UQ=jT('S');n1.AN=jT('B');n1.EN=jT('I');n1.VQ=jT('Z');n1.CN=jT('D');n1.DN=jT('F');n1.FN=jT('J');A1.HB();_=WR('OCL.Molecule',A1.KB);_.CANONIZER_ASSIGN_PARITIES_TO_TETRAHEDRAL_N=A1.hx;_.CANONIZER_CONSIDER_DIASTEREOTOPICITY=A1.ix;_.CANONIZER_CONSIDER_ENANTIOTOPICITY=A1.jx;_.CANONIZER_CONSIDER_STEREOHETEROTOPICITY=A1.kx;_.CANONIZER_COORDS_ARE_3D=A1.lx;_.CANONIZER_CREATE_PSEUDO_STEREO_GROUPS=A1.mx;_.CANONIZER_CREATE_SYMMETRY_RANK=A1.nx;_.CANONIZER_DISTINGUISH_RACEMIC_OR_GROUPS=A1.ox;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS=A1.px;_.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS_WITHOUT_RANKING=A1.qx;_.CANONIZER_ENCODE_ATOM_SELECTION=A1.rx;_.CANONIZER_NEGLECT_ANY_STEREO_INFORMATION=A1.sx;_.CANONIZER_TIE_BREAK_FREE_VALENCE_ATOMS=A1.tx;_.FISCHER_PROJECTION_LIMIT=A1.ux;_.FISCHER_PROJECTION_RING_LIMIT=A1.vx;_.STEREO_ANGLE_LIMIT=A1.wx;_.VALIDATION_ERRORS_STEREO=A1.xx;_.VALIDATION_ERROR_AMBIGUOUS_CONFIGURATION=A1.yx;_.VALIDATION_ERROR_ESR_CENTER_UNKNOWN=A1.zx;_.VALIDATION_ERROR_OVER_UNDER_SPECIFIED=A1.Ax;_.cAtomCIPParityNone=A1.Bx;_.cAtomCIPParityProblem=A1.Cx;_.cAtomCIPParityRorM=A1.Dx;_.cAtomCIPParitySorP=A1.Ex;_.cAtomColorBlue=A1.Fx;_.cAtomColorDarkGreen=A1.Gx;_.cAtomColorDarkRed=A1.Hx;_.cAtomColorGreen=A1.Ix;_.cAtomColorMagenta=A1.Jx;_.cAtomColorNone=A1.Kx;_.cAtomColorOrange=A1.Lx;_.cAtomColorRed=A1.Mx;_.cAtomLabel=A1.Nx;_.cAtomParity1=A1.Ox;_.cAtomParity2=A1.Px;_.cAtomParityIsPseudo=A1.Qx;_.cAtomParityNone=A1.Rx;_.cAtomParityUnknown=A1.Sx;_.cAtomQFAny=A1.Tx;_.cAtomQFAromState=A1.Ux;_.cAtomQFAromStateBits=A1.Vx;_.cAtomQFAromStateShift=A1.Wx;_.cAtomQFAromatic=A1.Xx;_.cAtomQFCharge=A1.Yx;_.cAtomQFChargeBits=A1.Zx;_.cAtomQFChargeShift=A1.$x;_.cAtomQFENeighbourBits=A1._x;_.cAtomQFENeighbourShift=A1.ay;_.cAtomQFENeighbours=A1.by;_.cAtomQFExcludeGroup=A1.cy;_.cAtomQFFlatNitrogen=A1.dy;_.cAtomQFHeteroAromatic=A1.ey;_.cAtomQFHydrogen=A1.fy;_.cAtomQFHydrogenBits=A1.gy;_.cAtomQFHydrogenShift=A1.hy;_.cAtomQFIsNotStereo=A1.iy;_.cAtomQFIsStereo=A1.jy;_.cAtomQFMatchStereo=A1.ky;_.cAtomQFMoreNeighbours=A1.ly;_.cAtomQFNarrowing=A1.my;_.cAtomQFNeighbourBits=A1.ny;_.cAtomQFNeighbourShift=A1.oy;_.cAtomQFNeighbours=A1.py;_.cAtomQFNewRingSize=A1.qy;_.cAtomQFNewRingSizeBits=A1.ry;_.cAtomQFNewRingSizeShift=A1.sy;_.cAtomQFNoMoreNeighbours=A1.ty;_.cAtomQFNoOfBits=A1.uy;_.cAtomQFNot0ENeighbours=A1.vy;_.cAtomQFNot0Hydrogen=A1.wy;_.cAtomQFNot0Neighbours=A1.xy;_.cAtomQFNot0PiElectrons=A1.yy;_.cAtomQFNot1ENeighbour=A1.zy;_.cAtomQFNot1Hydrogen=A1.Ay;_.cAtomQFNot1Neighbour=A1.By;_.cAtomQFNot1PiElectron=A1.Cy;_.cAtomQFNot2ENeighbours=A1.Dy;_.cAtomQFNot2Hydrogen=A1.Ey;_.cAtomQFNot2Neighbours=A1.Fy;_.cAtomQFNot2PiElectrons=A1.Gy;_.cAtomQFNot2RingBonds=A1.Hy;_.cAtomQFNot3ENeighbours=A1.Iy;_.cAtomQFNot3Hydrogen=A1.Jy;_.cAtomQFNot3Neighbours=A1.Ky;_.cAtomQFNot3RingBonds=A1.Ly;_.cAtomQFNot4ENeighbours=A1.My;_.cAtomQFNot4Neighbours=A1.Ny;_.cAtomQFNot4RingBonds=A1.Oy;_.cAtomQFNotAromatic=A1.Py;_.cAtomQFNotChain=A1.Qy;_.cAtomQFNotCharge0=A1.Ry;_.cAtomQFNotChargeNeg=A1.Sy;_.cAtomQFNotChargePos=A1.Ty;_.cAtomQFPiElectronBits=A1.Uy;_.cAtomQFPiElectronShift=A1.Vy;_.cAtomQFPiElectrons=A1.Wy;_.cAtomQFRingSize0=A1.Xy;_.cAtomQFRingSize3=A1.Yy;_.cAtomQFRingSize4=A1.Zy;_.cAtomQFRingSize5=A1.$y;_.cAtomQFRingSize6=A1._y;_.cAtomQFRingSize7=A1.az;_.cAtomQFRingSizeLarge=A1.bz;_.cAtomQFRingState=A1.cz;_.cAtomQFRingStateBits=A1.dz;_.cAtomQFRingStateShift=A1.ez;_.cAtomQFRxnParityBits=A1.fz;_.cAtomQFRxnParityHint=A1.gz;_.cAtomQFRxnParityInvert=A1.hz;_.cAtomQFRxnParityRacemize=A1.iz;_.cAtomQFRxnParityRetain=A1.jz;_.cAtomQFRxnParityShift=A1.kz;_.cAtomQFSimpleFeatures=A1.lz;_.cAtomQFSmallRingSize=A1.mz;_.cAtomQFSmallRingSizeBits=A1.nz;_.cAtomQFSmallRingSizeShift=A1.oz;_.cAtomQFStereoState=A1.pz;_.cAtomQFStereoStateBits=A1.qz;_.cAtomQFStereoStateShift=A1.rz;_.cAtomRadicalState=A1.sz;_.cAtomRadicalStateD=A1.tz;_.cAtomRadicalStateNone=A1.uz;_.cAtomRadicalStateS=A1.vz;_.cAtomRadicalStateShift=A1.wz;_.cAtomRadicalStateT=A1.xz;_.cAtomValence=A1.yz;_.cBondCIPParityEorP=A1.zz;_.cBondCIPParityNone=A1.Az;_.cBondCIPParityProblem=A1.Bz;_.cBondCIPParityZorM=A1.Cz;_.cBondParityEor1=A1.Dz;_.cBondParityNone=A1.Ez;_.cBondParityUnknown=A1.Fz;_.cBondParityZor2=A1.Gz;_.cBondQFAllFeatures=A1.Hz;_.cBondQFAromState=A1.Iz;_.cBondQFAromStateBits=A1.Jz;_.cBondQFAromStateShift=A1.Kz;_.cBondQFAromatic=A1.Lz;_.cBondQFBondTypes=A1.Mz;_.cBondQFBondTypesBits=A1.Nz;_.cBondQFBondTypesShift=A1.Oz;_.cBondQFBridge=A1.Pz;_.cBondQFBridgeBits=A1.Qz;_.cBondQFBridgeMin=A1.Rz;_.cBondQFBridgeMinBits=A1.Sz;_.cBondQFBridgeMinShift=A1.Tz;_.cBondQFBridgeShift=A1.Uz;_.cBondQFBridgeSpan=A1.Vz;_.cBondQFBridgeSpanBits=A1.Wz;_.cBondQFBridgeSpanShift=A1.Xz;_.cBondQFDelocalized=A1.Yz;_.cBondQFDouble=A1.Zz;_.cBondQFMatchFormalOrder=A1.$z;_.cBondQFMatchStereo=A1._z;_.cBondQFMetalLigand=A1.aA;_.cBondQFNarrowing=A1.bA;_.cBondQFNoOfBits=A1.cA;_.cBondQFNotAromatic=A1.dA;_.cBondQFNotRing=A1.eA;_.cBondQFQuadruple=A1.fA;_.cBondQFQuintuple=A1.gA;_.cBondQFRareBondTypes=A1.hA;_.cBondQFRareBondTypesBits=A1.iA;_.cBondQFRareBondTypesShift=A1.jA;_.cBondQFRing=A1.kA;_.cBondQFRingSize=A1.lA;_.cBondQFRingSizeBits=A1.mA;_.cBondQFRingSizeShift=A1.nA;_.cBondQFRingState=A1.oA;_.cBondQFRingStateBits=A1.pA;_.cBondQFRingStateShift=A1.qA;_.cBondQFSimpleFeatures=A1.rA;_.cBondQFSingle=A1.sA;_.cBondQFTriple=A1.tA;_.cBondTypeCross=A1.uA;_.cBondTypeDeleted=A1.vA;_.cBondTypeDelocalized=A1.wA;_.cBondTypeDouble=A1.xA;_.cBondTypeDown=A1.yA;_.cBondTypeIncreaseOrder=A1.zA;_.cBondTypeMaskSimple=A1.AA;_.cBondTypeMaskStereo=A1.BA;_.cBondTypeMetalLigand=A1.CA;_.cBondTypeQuadruple=A1.DA;_.cBondTypeQuintuple=A1.EA;_.cBondTypeSingle=A1.FA;_.cBondTypeTriple=A1.GA;_.cBondTypeUp=A1.HA;_.cChiralityDiastereomers=A1.IA;_.cChiralityEpimers=A1.JA;_.cChiralityIsomerCountMask=A1.KA;_.cChiralityKnownEnantiomer=A1.LA;_.cChiralityMeso=A1.MA;_.cChiralityNotChiral=A1.NA;_.cChiralityRacemic=A1.OA;_.cChiralityUnknown=A1.PA;_.cChiralityUnknownEnantiomer=A1.QA;_.cCommonOxidationState=A1.RA;_.cDefaultAVBL=A1.SA;_.cDefaultAllowedPseudoAtoms=A1.TA;_.cDefaultAtomValence=A1.UA;_.cESRGroupBits=A1.VA;_.cESRMaxGroups=A1.WA;_.cESRTypeAbs=A1.XA;_.cESRTypeAnd=A1.YA;_.cESRTypeOr=A1.ZA;_.cHelperAll=A1.$A;_.cHelperBitCIP=A1._A;_.cHelperBitIncludeNitrogenParities=A1.aB;_.cHelperBitNeighbours=A1.bB;_.cHelperBitParities=A1.cB;_.cHelperBitRings=A1.dB;_.cHelperBitRingsSimple=A1.eB;_.cHelperBitSymmetrySimple=A1.fB;_.cHelperBitSymmetryStereoHeterotopicity=A1.gB;_.cHelperBitsStereo=A1.hB;_.cHelperCIP=A1.iB;_.cHelperNeighbours=A1.jB;_.cHelperNone=A1.kB;_.cHelperParities=A1.lB;_.cHelperRings=A1.mB;_.cHelperRingsSimple=A1.nB;_.cHelperSymmetrySimple=A1.oB;_.cHelperSymmetryStereoHeterotopicity=A1.pB;_.cMaxAtomicNo=A1.qB;_.cMaxConnAtoms=A1.rB;_.cMoleculeColorDefault=A1.sB;_.cMoleculeColorNeutral=A1.tB;_.cPseudoAtomA=A1.uB;_.cPseudoAtomAttachmentPoint=A1.vB;_.cPseudoAtomPolymer=A1.wB;_.cPseudoAtomR=A1.xB;_.cPseudoAtomX=A1.yB;_.cPseudoAtomsAGroups=A1.zB;_.cPseudoAtomsAll=A1.AB;_.cPseudoAtomsAminoAcids=A1.BB;_.cPseudoAtomsHydrogenIsotops=A1.CB;_.cPseudoAtomsRGroups=A1.DB;_.cRoundedMass=A1.EB;_.fromIDCode=A1.DC;_.fromMolfile=A1.GC;_.fromMolfileWithAtomMap=A1.HC;_.fromSmiles=A1.IC;_.getAngle=A1.RC;_.getAngleDif=A1.SC;_.getAtomicNoFromLabel=A1.qD;_.getDefaultAverageBondLength=A1.VD;_.isAtomicNoElectronegative=A1._E;_.isAtomicNoElectropositive=A1.aF;_.setDefaultAverageBondLength=A1.yG;_=WR('OCL.Reaction');_.create=A1.mH;_.fromMolecules=A1.nH;_.fromRxn=A1.oH;_.fromSmiles=A1.pH;_=WR('OCL.RingCollection');_.MAX_SMALL_RING_SIZE=A1.PH;_.MODE_SMALL_AND_LARGE_RINGS=A1.QH;_.MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY=A1.RH;_.MODE_SMALL_RINGS_AND_AROMATICITY=A1.SH;_.MODE_SMALL_RINGS_ONLY=A1.TH;_=WR('OCL.SDFileParser',A1.mI);_=WR('OCL.SSSearcher',A1.yI);_=WR('OCL.SSSearcherWithIndex',A1.FI);_.bitCount=A1.GI;_.getHexStringFromIndex=A1.II;_.getIndexFromHexString=A1.JI;_.getKeyIDCode=A1.KI;_.getSimilarityAngleCosine=A1.MI;_.getSimilarityTanimoto=A1.NI;_=WR('OCL.SmilesParser',A1.TI);_=WR('OCL.Util',A1.$I);_.getHoseCodesFromDiastereotopicID=A1._I;_=WR('java.io.Serializable');_.$isInstance=oS;o1.HS();_=WR('java.lang.Boolean');_.$isInstance=NS;_=WR('java.lang.CharSequence');_.$isInstance=QS;_=WR('java.lang.Cloneable');_.$isInstance=vT;_=WR('java.lang.Comparable');_.$isInstance=wT;_=WR('java.lang.Double');_.$isInstance=HT;_=WR('java.lang.Number');_.$isInstance=o1.yT;_=WR('java.lang.String');_.$isInstance=JU;_=WR('java.lang.Throwable');_.of=fK;_=WR('javaemul.internal.HashCodes',r1.R0);_.getIdentityHashCode=r1.S0;_.getNextHash=r1.T0;_.getObjectIdentityHashCode=r1.U0;_=WR('javaemul.internal.JsUtils');_.toDoubleFromUnsignedInt=r1.h1;var m1=(q1.LK(),OK);var gwtOnLoad=gwtOnLoad=LR;JR(ZR);MR('permProps',[[['locale','default'],['user.agent','safari']]]);$sendStats('moduleStartup', 'moduleEvalEnd');gwtOnLoad(__gwtModuleFunction.__errFn, __gwtModuleFunction.__moduleName, __gwtModuleFunction.__moduleBase, __gwtModuleFunction.__softPermutationId,__gwtModuleFunction.__computePropValue);$sendStats('moduleStartup', 'end');$gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
133
134
 
134
135
 
135
136
  // End GWT code
136
137
 
137
138
  var toReturn = $wnd["OCL"];
138
139
 
139
- toReturn.version = '8.13.0';
140
+ toReturn.version = '8.14.0';
140
141
 
141
142
  return toReturn;
142
143
  }