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sG(a);b&&(!!a.t&&tG(xq(a.t,sh),0,0,0),a.wc=!0)}}function uG(a){a.bc=0;a.q=0;a.zb=new sG(a);a.Db=null;a.Tb=!0}\nfunction vG(a,b){var c,d,e,f,g;g=new cD;e=Zf;d=lf;f="MOL or SDF";ZF();a:{for(c=1;c<=a.bc;++c)if(0<a.Kb[c].o){c=(ZF(),ZF(),$F);break a}c=(ZF(),ZF(),aG)}c=c.a?aG:$F;b&&(e=dg,f=d=Wf);a.Pc&&(f+=" or "+e,!b&&a.Oc&&(f+=" or OCL ID code"));e=new WC(te+e);var h=(GF(),HF).b;e.c=h;aD(g,e);TC(e,!c.a);QB(e.d,a);e=new WC(te+d);e.c=JF.b;QB(e.d,a);aD(g,e);b||(e=new WC(te+d+" V3000"),e.c=LF.b,QB(e.d,a),aD(g,e),a.ig()&&(a.S&&(e=new WC("Copy as InChI"),e.c=PF.b,QB(e.d,a),TC(e,!c.a),aD(g,e)),a.U&&(e=new WC("Copy as InChI key"),\ne.c=QF.b,QB(e.d,a),TC(e,!c.a),aD(g,e)),a.zc&&(e=new WC("Search chemical structure (through InChIKey)"),e.c=UF.b,QB(e.d,a),TC(e,!c.a),aD(g,e)),a.T&&(e=new WC("Copy as InChI auxinfo"),e.c=RF.b,QB(e.d,a),TC(e,!c.a),aD(g,e))));a.Pc&&a.W&&!b&&(e=new WC("Copy as Scalar Vector Graphics"),e.c=VF.b,QB(e.d,a),aD(g,e));a.Pc&&a.Oc&&!b&&(e=new WC("Copy as OCL ID 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107:zG(b,hC);AG(b,j+4,g+4,a.xb-8,a.xb-8);zG(b,eC);BG(b,j+4,g+4,a.xb-8,a.xb-8);HG(b,j+6,g+6,a.xb-11,a.xb-\n12);IG(b.a,Q(P(S((j+9)*(JG(),V)))),Q(P(S((g+9)*V))),Q(P(S(2*V))),Q(P(S(4*V))));AG(b,j+a.xb-10,g+9,2,4);break;case 108:d=a.xb/4;KG(b,j+d,g+a.xb-d,j+a.xb-d,g+d);d=a.xb/2-d;f=g+2*a.xb/3;j+=a.xb/2;c=j+d;LG(b.a,Q(P(S(j*(JG(),V)))),Q(P(S(f*V))),Q(P(S(c*V))),Q(P(S(f*V))));g+=a.xb/3;a=j-d;LG(b.a,Q(P(S(a*V))),Q(P(S(g*V))),Q(P(S(j*V))),Q(P(S(g*V))));j=(a+j)/2;g-=d/2;a=g+d;LG(b.a,Q(P(S(j*V))),Q(P(S(g*V))),Q(P(S(j*V))),Q(P(S(a*V))));break;case 113:a.Ac&&(d=c/2,f=a.xb-2*c-2*d,c=j+d+c,e=g+(c-j),zG(b,lC),MG(b.a,\nQ(P(S(c*(JG(),V)))),Q(P(S(e*V))),Q(P(S(f*V))),Q(P(S(f*V)))),zG(b,dC),h=j+a.xb/2,a=g+a.xb/2,l=c+f,m=g+d,g=m+d,LG(b.a,Q(P(S(c*V))),Q(P(S(g*V))),Q(P(S(h*V))),Q(P(S(m*V)))),LG(b.a,Q(P(S(h*V))),Q(P(S(m*V))),Q(P(S(l*V))),Q(P(S(g*V)))),g=e+f+d,m=g+d,LG(b.a,Q(P(S(c*V))),Q(P(S(g*V))),Q(P(S(h*V))),Q(P(S(m*V)))),LG(b.a,Q(P(S(h*V))),Q(P(S(m*V))),Q(P(S(l*V))),Q(P(S(g*V)))),j+=d,l=j+d,g=e+f,LG(b.a,Q(P(S(l*V))),Q(P(S(e*V))),Q(P(S(j*V))),Q(P(S(a*V)))),LG(b.a,Q(P(S(j*V))),Q(P(S(a*V))),Q(P(S(l*V))),Q(P(S(g*V)))),j=\nc+f+d,l=j+d,LG(b.a,Q(P(S(j*V))),Q(P(S(e*V))),Q(P(S(l*V))),Q(P(S(a*V)))),LG(b.a,Q(P(S(l*V))),Q(P(S(a*V))),Q(P(S(j*V))),Q(P(S(g*V)))));break;case 110:NG(b,j,g,a.xb,!0);break;case 111:NG(b,j,g,a.xb,!1);break;case 214:d=a.gb;f=3+j;c=f+d/2;e=f+d;h=g+3;l=h+d;zG(b,lC);OG(b,y(iG,Bm,-1,[f,c,e]),y(iG,Bm,-1,[h,l,h]),3);f=c;l=h+d/2;h=l+d;OG(b,y(iG,Bm,-1,[f,c+d/2,f+d]),y(iG,Bm,-1,[h,l,h]),3);a.X=new ZC(M(j),M(g));break;case 109:KG(b,j+c,g+a.xb/2,j+a.xb-c,g+a.xb/2);KG(b,j+a.xb-c,g+a.xb/2,j+a.xb-3*c/2,g+a.xb/2+\nc/2);KG(b,j+a.xb-c,g+a.xb/2,j+a.xb-3*c/2,g+a.xb/2-c/2);break;case 102:zG(b,ZB);AG(b,j+3,g+5,a.xb-7,a.xb-11);zG(b,eC);BG(b,j+3,g+5,a.xb-7,a.xb-11);break;case 103:zG(b,iF);a.Xb&&CG(b,j+1,g+1,a.xb,a.xb,!1);zG(b,eC);PG(a,b,j,g,wf);break;case 106:zG(b,gC);KG(b,j+7,g+7,j+a.xb-7,g+a.xb-7);KG(b,j+7,g+a.xb-7,j+a.xb-7,g+7);zG(b,eC);KG(b,j+c,g+a.xb/2,j+12,g+a.xb/2);PG(a,b,j+6,g,Gf);break;case 104:zG(b,gC);KG(b,j+7,g+7,j+a.xb-7,g+a.xb-7);KG(b,j+7,g+a.xb-7,j+a.xb-7,g+7);zG(b,eC);break;case 105:a.Hc?(zG(b,kC),\nDG(b,j+3,g+3,a.xb-6,a.xb-6),zG(b,eC)):PG(a,b,j,g,"123");break;case 114:zG(b,mC);d=a.xb-8;f=j+(a.xb-d)/2;c=g+(a.xb-d)/2;IG(b.a,Q(P(S(f*(JG(),V)))),Q(P(S(c*V))),Q(P(S(d*V))),Q(P(S(d*V))));zG(b,eC);QG(a,b,j,g,ZB,pi);break;case 201:KG(b,j+c,g+a.xb/2,j+a.xb-c,g+a.xb/2+2);KG(b,j+c,g+a.xb/2,j+a.xb-c,g+a.xb/2-2);KG(b,j+a.xb-c,g+a.xb/2+2,j+a.xb-c,g+a.xb/2-2);break;case 202:KG(b,j+c,g+a.xb/2,j+a.xb-c,g+a.xb/2);break;case 203:KG(b,j+c,g+a.xb/2-2,j+a.xb-c,g+a.xb/2-2);KG(b,j+c,g+a.xb/2+2,j+a.xb-c,g+a.xb/2+2);\nbreak;case 204:KG(b,j+c,g+a.xb/2,j+a.xb-c,g+a.xb/2);KG(b,j+c,g+a.xb/2-3,j+a.xb-c,g+a.xb/2-3);KG(b,j+c,g+a.xb/2+3,j+a.xb-c,g+a.xb/2+3);break;case 205:LG(b.a,Q(P(S((j+c/2)*(JG(),V)))),Q(P(S((g+2*c+c/3)*V))),Q(P(S((j+3*(c/2))*V))),Q(P(S((g+2*c-c/3)*V))));LG(b.a,Q(P(S((j+3*(c/2))*V))),Q(P(S((g+2*c-c/3)*V))),Q(P(S((j+5*(c/2))*V))),Q(P(S((g+2*c+c/3)*V))));LG(b.a,Q(P(S((j+5*(c/2))*V))),Q(P(S((g+2*c+c/3)*V))),Q(P(S((j+7*(c/2))*V))),Q(P(S((g+2*c-c/3)*V))));break;case 206:RG(a,b,j,g+2,3);break;case 207:RG(a,\nb,j,g,4);break;case 208:RG(a,b,j,g,5);break;case 209:RG(a,b,j,g,1);break;case 210:RG(a,b,j,g,6);break;case 211:RG(a,b,j,g,7);break;case 212:RG(a,b,j,g,8);break;case 213:PG(a,b,j,g,De),a.ab=new ZC(M(j),M(g))}else d=SG(a,f),QG(a,b,j,g,lF[d],nF[d])}function TG(a){var b;if(0==a.zb.o)return n;b=(XB(),fC);a.zb.x=b;b=UG(a.zb,n,!0);VG(a);rG(a,!0);VG(a);return b}\nfunction WG(a,b,c){var d,e,f;d=0;b=Q(P(S(b/a.yb)));c=Q(P(S(c/a.yb)));if(b<(a.N?0:a.xb+(a.Wb?1:0))||c<(a.N?0:2*a.xb+(a.Wb?1:0))){f=0;for(e=1;14>=e;++e)if(b<e*(a.xb+(a.Wb?1:0))){f=e;break}b=0;for(e=1;e<=XG+2;++e)if(c<e*(a.xb+(a.Wb?1:0))){b=e;break}0<f&&0<b&&(d=100*b+f)}109==d&&(a.pc||(d=0));return d}function YG(a){var b;b=9;a.oc&&++b;a.Qc&&++b;return b}\nfunction ZG(a,b,c){var d,e,f,g,h;e=b.j.c/b.i;d=b.j.b/b.i;f=3*c;c*=a.gb;!a.R?a.R=new $G(b):a.R.a=b;a.N&&(f=0);f=e-f-c;e=f+c;a.N?(g=d,h=d-c,d=(h+d)/2):(d/=2,g=d+c/2,h=d-c/2);zG(b,(XB(),lC));OG(b,y(iG,Bm,-1,[f,e,f]),y(iG,Bm,-1,[h,d,g]),3);UD(a.R,f,h,c,c)}\nfunction aH(a){var b,c,d,e,f,g;a.ug("drawMolecularArea  mustReDrawMolecularArea="+a.Tb+fa);if(a.Tb){if(a.t&&null!=a.t.a&&a.t.a!=$k&&a.t.a!=Yj)for(d=1;d<=a.bc;++d)CF(a.Kb[d]);d=new VD(Q(P(S(bH(a,a.yb)))),Q(P(S(cH(a,a.yb)))),a.Jb,a.Fb);d=dH(a.Gb,a.Ib,d);f=a.Jb;e=a.Fb;a.ug("drawMolecularArea  "+f+" : "+e+" scale: "+a.Ib+fa);zG(d,a.G);f/=a.Ib;e/=a.Ib;IG(d.a,Q(P(S(0*(JG(),V)))),Q(P(S(0*V))),Q(P(S(f*V))),Q(P(S(e*V))));g=a.Eb?(hD(),kD):(hD(),mD);b=(hD(),iD);c=d.a;if(b==(hD(),iD))g==kD?c.b=n:c.b=sk;g=new UB(a.Hb);\nd.d=new UB(V*g.e);eH(d.a,d.d);if(a.Y&&!a.pc)oG(a,a.Q,a.yb),a.Y=!1;else if(a.v&&a.jc)if(a.N&&!a.pc)oG(a,a.Q,a.yb);else for(g=1;g<=a.bc;++g)a.v&&a.jc&&(b=(f-a.jc.c)/2,c=(e-a.jc.b)/2,nG(a.Kb[g],b,c));for(g=1;g<=a.bc;++g){b=a.Kb[g];c=d;var h=void 0,j=void 0,l=void 0,m=void 0,r=void 0,o=void 0,s=m=m=void 0,z=j=s=void 0,u=z=m=void 0,F=o=u=l=h=o=void 0,A=void 0,t=void 0,H=o=h=s=u=u=s=h=z=h=s=t=z=h=r=u=void 0,N=l=o=H=o=void 0,U=t=s=A=h=s=void 0,da=s=m=N=F=m=void 0,ba=void 0,H=r=N=r=j=l=void 0,z=h=1;c.c=b.k.G;\nb.k.P&&(zG(c,(XB(),eC)),BG(c,0,0,b.k.Q.b-1,b.k.Q.a-1));if(0!=b.o){b.x&&(A=c,m=b.x,A.b=m,A.f=A.a.e,fH(A.a,m));b.r&&(mG(b),hG(b.k,1,b.k.bc,0,!1),b.r=!1);gH(b.k,b.k.A);if(-1==b.i){for(A=1;A<=b.o;++A)m=b.b[A].c,0<m&&7>m&&(zG(c,(gF(),oF)[m]),DG(c,b.b[A].r-12,b.b[A].s-12,24,24));for(A=1;A<=b.p;++A)l=b.c[A].i,r=b.c[A].j,0!=b.b[l].c&&b.b[l].c==b.b[r].c&&(zG(c,(gF(),oF)[b.b[l].c]),o=b.b[r].r-b.b[l].r,h=b.b[r].s-b.b[l].s,z=Math.sqrt(o*o+h*h),1>z&&(z=1),h/=z,z=o/z,H=9*h,o=9*z,m=hH(4),N=hH(4),m[0]=b.b[l].r+H,\nN[0]=b.b[l].s-o,m[1]=b.b[r].r+H,N[1]=b.b[r].s-o,m[2]=b.b[r].r-H,N[2]=b.b[r].s+o,m[3]=b.b[l].r-H,N[3]=b.b[l].s+o,OG(c,m,N,4))}for(A=1;A<=b.p;++A)if(s=b.c[A],l=s.i,r=s.j,zG(c,0==s.c?(XB(),$B):(XB(),dC)),!(106==b.k.o&&b.v==A&&0==iH(b,b.c[A].i,b.c[A].j))){1==b.i&&0!=b.b[l].c&&b.b[l].c==b.b[r].c&&zG(c,(gF(),oF)[b.b[l].c]);if(3==s.f||4==s.f||6==s.f)m=l,l=r,r=m;m=b.b[l].r;l=b.b[l].s;N=b.b[r].r;r=b.b[r].s;if(!(1==s.c||0==s.c)||0!=s.f)o=N-m,h=r-l,z=Math.sqrt(o*o+h*h),1>z&&(z=1),h/=z,z=o/z;switch(s.c){case 2:H=\n2*h;o=2*z;10!=s.f?(LG(c.a,Q(P(S((m+H)*(JG(),V)))),Q(P(S((l-o)*V))),Q(P(S((N+H)*V))),Q(P(S((r-o)*V)))),LG(c.a,Q(P(S((m-H)*V))),Q(P(S((l+o)*V))),Q(P(S((N-H)*V))),Q(P(S((r+o)*V))))):(LG(c.a,Q(P(S((m+H)*(JG(),V)))),Q(P(S((l-o)*V))),Q(P(S((N-H)*V))),Q(P(S((r+o)*V)))),LG(c.a,Q(P(S((m-H)*V))),Q(P(S((l+o)*V))),Q(P(S((N+H)*V))),Q(P(S((r-o)*V)))));zG(c,(XB(),eC));break;case 3:LG(c.a,Q(P(S(m*(JG(),V)))),Q(P(S(l*V))),Q(P(S(N*V))),Q(P(S(r*V))));H=3*h;o=3*z;LG(c.a,Q(P(S((m+H)*V))),Q(P(S((l-o)*V))),Q(P(S((N+H)*\nV))),Q(P(S((r-o)*V))));LG(c.a,Q(P(S((m-H)*V))),Q(P(S((l+o)*V))),Q(P(S((N-H)*V))),Q(P(S((r+o)*V))));break;case 9:for(u=0;10>u;++u)F=m-(m-N)/10*u,j=l-(l-r)/10*u,LG(c.a,Q(P(S(F*(JG(),V)))),Q(P(S(j*V))),Q(P(S(F*V))),Q(P(S(j*V))));jH(c,b.k.y);o=OC(b.k.z.a)-PC(b.k.z.a);s=s.d;H=qd;null!=s&&(H=s);s=oD(H,b.k.z.a);s=(m+N)/2-s/2;r=(l+r)/2+~~(o/2)-1;zG(c,(XB(),jC));kH(c.a,H,Q(P(S(s*(JG(),V)))),Q(P(S(r*V))));zG(c,eC);break;default:if(1==s.f||3==s.f)H=3*h,o=3*z,s=hH(3),u=hH(3),s[0]=N+H,u[0]=r-o,s[1]=m,u[1]=l,s[2]=\nN-H,u[2]=r+o,OG(c,s,u,3);else if(2==s.f||4==s.f){H=3*h;o=3*z;for(u=0;10>u;++u)F=m-(m-N)/10*u,j=l-(l-r)/10*u,s=u/10,LG(c.a,Q(P(S((F+H*s)*(JG(),V)))),Q(P(S((j-o*s)*V))),Q(P(S((F-H*s)*V))),Q(P(S((j+o*s)*V))))}else if(5==s.f||6==s.f){ba=U=0;H=3*h;o=3*z;for(u=0;9>u;u+=1)F=m-(m-N)/8*u,j=l-(l-r)/8*u,s=u/8,t=F+H*s,da=j-o*s,0<u&&LG(c.a,Q(P(S(U*(JG(),V)))),Q(P(S(ba*V))),Q(P(S(t*V))),Q(P(S(da*V)))),U=F-H*s,ba=j+o*s,LG(c.a,Q(P(S(t*(JG(),V)))),Q(P(S(da*V))),Q(P(S(U*V))),Q(P(S(ba*V))))}else LG(c.a,Q(P(S(m*(JG(),\nV)))),Q(P(S(l*V))),Q(P(S(N*V))),Q(P(S(r*V))))}}z=hH(b.o+1);h=hH(b.o+1);for(A=1;A<=b.p;++A)l=b.c[A].i,r=b.c[A].j,m=b.b[l].r,o=b.b[r].r,++h[l],++h[r],z[l]=z[l]/h[l]+o/h[l],z[r]=z[r]/h[r]+m/h[r];jH(c,b.k.y);o=OC(b.k.z.a)-PC(b.k.z.a);N=hH(b.o+1);l=hH(b.o+1);m=D(lH,q,81,b.o+1,0);for(A=1;A<=b.o;++A)H=mH(b,A),(null==H||1>H.length)&&(H=jb),j=b.b[A],3==b.b[A].a&&0<b.b[A].k&&0==b.b[A].o&&0==j.e&&!(4<=j.p&&2==j.k)?(N[A]=l[A]=oD(H,b.k.z.a),Oq(m,A,nH(b,A,N[A],N[A],o,!1))):(r=z[A]<b.b[A].r,u=!0,1<h[A]&&8.333333333333334>\noH(z[A]-b.b[A].r)&&(u=!1),2<h[A]&&(u=!1),1==h[A]&&2.5>oH(z[A]-b.b[A].r)&&(r=!0),s=H,F=n,b.k.Dc&&(t=b.b[A].j,0<t&&(F+=Ie,1<t&&(F+=t))),t=n,0!=j.e&&(t=rg+j.e+zg),j=n,0!=b.b[A].o&&(1<pH(b.b[A].o)&&(j+=pH(b.b[A].o)),0<b.b[A].o?j+=mb:j+=tb),r||!u?H=t+H+F+j+n:H=j+F+n+t+H,u||(s=H),s=oD(s,b.k.z.a),u=oD(H,b.k.z.a),N[A]=s,l[A]=u,u=Oq(m,A,nH(b,A,s,u,o,r)),s=u.d+2+1,r=u.e+o+2,zG(c,c.c),-1==b.i&&0!=b.b[A].c&&zG(c,(gF(),oF)[b.b[A].c]),AG(c,u.d,u.e,u.c,u.b),1==b.i?0!=b.b[A].c?zG(c,(gF(),oF)[b.b[A].c]):zG(c,(XB(),\neC)):zG(c,(gF(),lF)[b.b[A].a]),kH(c.a,H,Q(P(S(s*(JG(),V)))),Q(P(S(r*V)))));for(A=1;A<=b.o;++A)h=b.b[A],-99199!=h.i&&(s=N[A],u=l[A],s=b.b[A].r-s/2,r=b.b[A].s+~~(o/2)-1,zG(c,(XB(),jC)),qH(c,ha+(-99199!=h.i?h.i:0),s+u,r));if(0<b.u||0<b.v)if(zG(c,104==b.k.o?(XB(),gC):(XB(),mC)),0<b.u&&106!=b.k.o&&(u=m[b.u],BG(c,u.d,u.e,u.c,u.b)),0<b.v&&113!=b.k.o&&(l=b.c[b.v].i,r=b.c[b.v].j,o=b.b[r].r-b.b[l].r,h=b.b[r].s-b.b[l].s,z=Math.sqrt(o*o+h*h),1>z&&(z=1),h/=z,z=o/z,H=4*h,o=4*z,s=hH(5),u=hH(5),s[0]=b.b[l].r+H,s[1]=\nb.b[r].r+H,u[0]=b.b[l].s-o,u[1]=b.b[r].s-o,s[3]=b.b[l].r-H,s[2]=b.b[r].r-H,u[3]=b.b[l].s+o,u[2]=b.b[r].s+o,s[4]=s[0],u[4]=u[0],106!=b.k.o&&rH(c,s,u,5),106==b.k.o&&0==iH(b,b.c[b.v].i,b.c[b.v].j))){h=b.c[b.v].i;A=b.c[b.v].j;sH(b,b.v);h=b.b[h].n;z=b.b[A].n;l=o=0;for(A=1;A<=b.o;++A)b.b[A].n==h?++o:b.b[A].n==z&&++l;h=o>l?z:h;zG(c,(XB(),gC));for(A=1;A<=b.o;++A)b.b[A].d=!1,b.b[A].n==h&&(b.b[A].d=!0,u=m[A],BG(c,u.d,u.e,u.c,u.b))}b.x&&(c.b=null,fH(c.a,c.f))}}!a.jc&&(a.jc=new TD);a.jc.c=f;a.jc.b=e;a.pc&&(g=\n(f-48)/2,b=e/2,zG(d,(XB(),jC)),LG(d.a,Q(P(S(g*V))),Q(P(S(b*V))),Q(P(S((g+48)*V))),Q(P(S(b*V)))),LG(d.a,Q(P(S((g+48)*V))),Q(P(S(b*V))),Q(P(S((g+48-6)*V))),Q(P(S((b+6)*V)))),LG(d.a,Q(P(S((g+48)*V))),Q(P(S(b*V))),Q(P(S((g+48-6)*V))),Q(P(S((b-6)*V)))),UD(a.qc,g,b,48,12));a.N&&(a.sb=new MC(Ke,0,13),a.vb=TA(a.sb),null!=a.Db&&(g=oD(a.Db,a.vb.a),f=(f-g)/2,e-=13,zG(d,(XB(),eC)),jH(d,a.sb),qH(d,a.Db,f,e)));a.N&&(a.Cc?ZG(a,d,0.6/a.Ib):a.R=null);tH(a.Gb.a,M(d.j.d),M(d.j.e),a);a.Tb=!1;if(a.wc){XD();e=new uH;e.a=\na.q;e.f=a.bc;d=!1;for(f=1;99>f;++f)if(g=a.Kb[f])0<g.o&&(d=!0),e.d[f]=new xF(g);else break;e.i=a.pc;e.e=a.Qb;e.b=a.Ib;e.c=a.nb;f=a.Ab;d=new vH(d?e:null);e=f.a.c;f.a.c=d;d.b=f.a;e&&(d.c=e,e.b=d);f.a=d;a.wc=!1}a.t&&null!=a.t.a&&(null!=a._b&&LE(a._b,null),a.t&&null!=a.t.a&&a.og(),wH(a.t),a.Xb&&(a.Xb=!1,a.Vb=!0,a.of(a.Tc.e)))}}function xH(a){a.Tb=!0;a.Gb?(aH(a),a.Tb=!1):yH(a)}\nfunction RG(a,b,c,d,e){var f,g,h,j,l;f=a.xb/4;g=!1;j=D(iG,Bm,-1,9,1);l=D(iG,Bm,-1,9,1);c+=a.xb/2;d+=a.xb/2;f=a.xb/2-f/2;1==e&&(e=6,g=!0);for(a=0;a<=e;++a)h=6.283185307179586/e*(a-0.5),j[a]=c+f*Math.sin(h),l[a]=d+f*Math.cos(h);rH(b,j,l,e+1);if(g){for(a=0;a<=e;++a)h=6.283185307179586/e*(a-0.5),j[a]=c+(f-3)*Math.sin(h),l[a]=d+(f-3)*Math.cos(h);KG(b,j[0],l[0],j[1],l[1]);KG(b,j[2],l[2],j[3],l[3]);KG(b,j[4],l[4],j[5],l[5])}}\nfunction NG(a,b,c,d,e){var f,g,h,j,l,m,r,o;l=d/4;c-=1;m=2+l/2;g=2+l;o=c+10*d/24;j=o+l;r=b+d;e?(h=2+b,f=m+b,g+=b):(f=r-m,h=r-2,g=r-g);LG(a.a,Q(P(S(h*(JG(),V)))),Q(P(S(o*V))),Q(P(S(f*V))),Q(P(S(j*V))));LG(a.a,Q(P(S(g*V))),Q(P(S(o*V))),Q(P(S(f*V))),Q(P(S(j*V))));h=l/3-0.5;LG(a.a,Q(P(S(f*V))),Q(P(S((o+h)*V))),Q(P(S(f*V))),Q(P(S(j*V))));f=d-m-4;c=c+m-h;d=d-4-h-1;j=270;e?(b+=m,e=270):(b=r-f-m,j*=-1,e=-90);zH(a.a,Q(P(S(b*V))),Q(P(S(c*V))),Q(P(S(f*V))),Q(P(S(d*V))),Q(P(Math.round(e))),Q(P(Math.round(j))))}\nfunction AH(a,b,c,d){b<Q(P(S(bH(a,a.yb))))||c<Q(P(S(cH(a,a.yb))))||c>a.Fb||b>a.Jb?BH(d):CH(a,b,c,pF?350:170,d)}\nfunction CH(a,b,c,d,e){var f,g,h,j;BH(e);b=DH(a,b);j=EH(a,c);g=d;for(c=1;c<=a.bc;++c){h=new FH(d);f=a.Kb[c];for(var l=b,m=j,r=h,o=void 0,s=void 0,z=void 0,u=void 0,F=o=o=o=u=o=void 0,A=void 0,t=void 0,H=s=z=o=o=void 0,N=void 0,U=void 0,F=0,t=r.a,A=1;A<=f.p;++A)o=GH(l,m,f.c[A].a,f.c[A].b),o<t&&(t=o,F=A);F*=-1;for(A=1;A<=f.o;++A)o=GH(l,m,f.b[A].r,f.b[A].s),o<t&&(t=o,F=A);if(0==F)for(A=1;A<=f.p;++A)o=f.c[A].i,u=f.c[A].j,s=f.b[o].r,z=f.b[o].s,o=f.b[u].r,u=f.b[u].s,o-=s,u-=z,N=l-s,U=m-z,z=o*o+u*u,s=N*\nN+U*U,H=GH(N,U,o,u),s+H>z+t||(o=N*o+U*u,0>o||(z=Math.sqrt(z),s=Math.sqrt(s),o/=z*s,1<=o||(o=1.5707963267948966-Math.acos(o),o=s*Math.cos(o),o*=o,o<t&&(F=-A,t=o))));r.a=t;f=F;h.a<g&&(g=h.a,BH(e),e.c=c,0<f?e.a=f:e.b=-f)}}function pG(a){var b,c,d;b=null;for(c=1;c<=a.bc;++c)(d=jG(a.Kb[c]))&&(!b?b=d:b=SD(b,d));a.pc&&(a=new VD(a.qc.d,a.qc.e,a.qc.c,a.qc.b),!b?b=a:SD(b,a));b&&(b.d-=12.5,b.e-=12.5,b.c+=25,b.b+=25);return b}\nfunction lG(a,b,c){b=kG(a,b,c);b.d=0;b.e=0;c=M(b.c);b.c=c/a.Ib;c=M(b.b);b.b=c/a.Ib;return b}function kG(a,b,c){var d,e;d=a.N?0:a.N?0:(a.xb+(a.Wb?1:0))*c;e=a.N?0:a.N?0:(2*a.xb+(a.Wb?1:0))*c;return new VD(d,e,b.b-(a.N?0:d+(a.N?0:(a.Wb?1:3)*c)),b.a-(a.N?0:e+(a.N?0:a.xb*c)))}function HH(a){var b,c,d,e,f,g,h;b=[IH,B];c=[gm,v];d=[(JH(),KH).length+1,a.bc+1];h=iv(b,c,[89,-1],d,0,2,1);for(e=KH,f=0,g=e.length;f<g;++f){d=e[f];c=0;for(b=1;b<=a.bc;++b)LH(a.Kb[b])==d&&(h[d][++c]=b);h[d][0]=c}return h}\nfunction dH(a,b,c){var d=a.b;d.i=b;b=d.a;FG(b,"<g "+(\'transform="scale(\'+d.i/V+\')"\')+jd);d=b.u;d[d.length]=Xc;a=a.b;a.j.d=c.d;a.j.e=c.e;a.j.b=c.b;a.j.c=c.c;return a}\nfunction MH(a,b,c,d){var e,f;if(!b||NH(b)){if((e=0<a.zb.u||0<a.zb.v)&&(104==a.o||106==a.o))return!0;if(e&&!a.N){a.Mc&&(f=a.Mc,f.k==a&&(f.k=null,Xm(a.hd,f)));f=a.zb;var g,h,b=new cD;e=a.ac||a.D||a.pc;f.f.a?g=new WC(mg):g=new WC(gg);TC(g,OH(f));aD(b,g);QB(g.d,a);e&&0<f.u&&(g=new WC(le),QB(g.d,a.fb),PH(a.fb),a.fb.a=f.u,a.fb.e=f,a.fb.f=a.q,aD(b,g));g=new WC(ze);a:{for(h=f.o;1<=h;--h)if(1==f.b[h].a){h=!0;break a}h=!1}TC(g,h);aD(b,g);QB(g.d,a);e&&(g=new WC(Od),QB(g.d,a),aD(b,g),g=new WC(xe),QB(g.d,a),aD(b,\ng),TC(g,0<dG(f)));e=new UC;h=fg;e.e=!1;Vz(e.i.a,!1);if(0<f.v&&(g=f.c[f.v],1==g.c||0==g.c))h=0==g.c?lg:fg,PH(a.fb),a.fb.c=f.v,a.fb.e=f,a.fb.f=a.q,e.e=!0,Vz(e.i.a,!0),QB(e.d,a);e.f=h;!e.i&&(e.i=new XC((hB(),e)));e.i.a.mb.textContent=h||n;aD(b,e);a.Mc=b;PA(a,a.Mc);QH(a.Mc.a,a,c,d)}else a.pc?f=(a.K=vG(a,!0),a.K):f=(a.J=vG(a,!1),a.J),NH(b)||(c=M(c*a.yb+0.5),d=M(d*a.yb+0.5)),QH(f.a,a,c,d);d=new zC(null,0,RH(0));SH(a,d,0,0);return!0}return!1}\nfunction TH(a,b){var c;if(0==a.zb.o)return!1;c=null;switch(b){case 102:1<a.bc?c="Delete selected molecule (red)":c="Clear canvas";var d=(XB(),fC);a.zb.x=d;a.Nc=a.zb;break;case 109:c="Copy selected (blue) molecule to the other side of the reaction",d=(XB(),lC),a.zb.x=d,a.Nc=a.zb}null!=c?(bG(a,c),a.Tb=!0,a.Vb=!0):(a.Tb=!1,a.Vb=!1);return null!=c}\nfunction UH(a,b){var c;if(a.Nc&&(102==b||a.pc&&109==b)){a.Nc.x=null;a.Nc=null;for(c=1;c<=a.bc;++c)a.Kb[c].x=null;bG(a,a.M);a.Tb=!0;a.Vb=!0}else a.Tb=!1,a.Vb=!1;return a.Tb}\nfunction VH(a,b,c,d){var e,f,b=new WH(b);e=null;f=!1;XH(a.t,xd);bG(a,a.M);if(b.f==(YH(),ZH)&&b.c){var g=b.c;b.a=g.a;b.f=g.f;b.i=g.i;b.e=g.e;b.c=g.c;b.b=g.b}b.a==($H(),aI)&&b.i!=(bI(),cI)?dI(a,b.b,d)||(e="Invalid V2000 molfile"):b.a==eI?fI(a,b.b,d)||(e="Invalid JME string"):b.a==gI?e="Reading "+b.f+qa:a.Pc&&(f=!0,Sq(1,new hI(a,b,c,d)));f||(a.Tb=null==e,c?null==e?iI(c):jI(c,new dq(e)):null!=e&&(bG(a,Be+e),a.of(a.Tc.e)))}\nfunction dI(a,b,c){var d,e,f,g,h,j,l;bG(a,a.M);if(0==b.indexOf(Oa)){a.sg()?a.Ib=3:a.Ib=1;a.bc=0;a.pc=!0;a.Qb=!0;e=kI(b);d=new FE(b,e,!0);b=n;for(f=1;5>=f;++f)b=lI(d,e);j=RH(lE(Hx(b.substr(0,3)),10)).a;h=RH(lE(Hx(b.substr(3,3)),10)).a;f=0;9<=b.length&&(f=RH(lE(Hx(b.substr(6,3)),10)).a);lI(d,e);for(b=1;b<=j+h+f;++b){for(g=n;!(l=lI(d,e),null==l||K(l,"$MOL"));)g+=l+e;a.Kb[++a.bc]=new mI(a,g)}hG(a,1,j,1,!1);hG(a,j+1,j+h,3,!1);0<f&&hG(a,j+h+1,j+h+f,2,!1);h=D(nI,q,123,99,0);j=0;for(f=1;f<=a.bc;++f)if(d=\na.Kb[f],e=sH(d,0),1==e)h[++j]=d;else for(b=1;b<=e;++b)h[++j]=new oI(a,d,b);a.Kb=h;a.bc=j;b="readRXNFile"}else{(a.N||a.ec)&&(a.pc=!1);e=null;try{a.zb=new mI(a,b)}catch(m){if(m=Yq(m),J(m,99))e=m.Nd();else throw m;}if(!a.zb||0==a.zb.o)return!a.zb&&(bG(a,"ERROR - problems in reading/processing MOL input:"+e),a.of(a.Tc.e)),!!a.zb;d=(a.pc||a.Qb)&&a.r||a.Xb;null!=a.w&&a.zb&&pI(a.zb,a.w,!0);null!=a.x&&a.zb&&pI(a.zb,a.x,!1);d||(a.bc=0,a.sg()?a.Ib=3:a.Ib=1);e=sH(a.zb,0);if(1>=e)a.Kb[++a.bc]=a.zb;else{a.Qb=\n!0;for(b=1;b<=e;++b)a.Kb[++a.bc]=new oI(a,a.zb,b)}d?a.q=a.bc:a.q=1;a.zb=a.Kb[a.q];a.N?hG(a,1,1,0,!0):hG(a,1,e,0,!d);b=Wj}null!=b&&(XH(a.t,xd),a.t&&tG(xq(a.t,b),0,0,0),a.wc=!0);a.Tb=!0;c&&a.of(a.Tc.e);return!0}function bG(a,b){null==b&&(b=a.M);a.Rb=!0;a.eb=b;a.ug("info: "+b)}function gH(a,b){var c;c=Math.round(b);100>c&&(!qF[c]&&(qF[c]=new MC(Ke,0,c)),!sF[c]&&Oq(sF,c,TA(qF[c])),a.y=qF[c],a.z=sF[c])}function NH(a){var b;if(!a)return!1;b=a.Ff();a=0!=(a.e&2);return b||a}\nfunction bH(a,b){return a.N?0:(a.xb+(a.Wb?1:0))*b}function SG(a,b){var c,d;d=-1;for(c=0;c<kF.length;c+=2)if(kF[c]==b){d=kF[c+1];break}32==d&&!a.Qc&&a.oc&&(d=33);return d}\nfunction qI(a,b){var c,d,e,f,g;if(0==b)return!1;FF(a,!1);f=!1;c=a.o;a.o=b;if(300>=b)switch(a.Vb=!0,a.Sb=!0,bG(a,a.M),b){case 102:rG(a,!0);UH(a,102);TH(a,102);f=!0;break;case 110:a.Tb=!0;a.o=c;a.Ab.a!=a.Ab.b&&a.Ab.a.b!=a.Ab.b?a.s&&(++a.bc,a.q=a.bc,a.s=!1):bG(a,"No more undo");if(!(a.Ab.a!=a.Ab.b&&a.Ab.a.b!=a.Ab.b))break;rI(a,sI(a.Ab));a.t&&tG(xq(a.t,$k),0,0,0);a.wc=!0;a.wc=!1;a.Tb=!0;break;case 111:a.o=c;if(a.Ab.a.c)a.s&&(++a.bc,a.q=a.bc,a.s=!1);else{bG(a,"No more redo");break}if(!a.Ab.a.c)break;d=\na.Ab;if(!d.a.c)throw new Qx("Cannot redo. Index is out of range.");if(!d.a.c)throw new Qx(Re);d.a=d.a.c;rI(a,d.a.a);a.t&&tG(xq(a.t,Yj),0,0,0);a.wc=!0;a.wc=!1;a.Tb=!0;break;case 214:MH(a,null,a.X.a,a.X.b);a.o=c;break;case 151:case 152:case 154:case 153:d=null;a.o=c;switch(b){case 152:d=tI(a.yc);break;case 151:d=uI(a.yc);break;case 154:d=a.yc;d.a=d.c;d=tI(d);break;case 153:d=a.yc,d.a=-1,d=uI(d)}null==d?bG(a,"No more molecules in SDF buffer"):(uG(a),a.ec=!0,vI(a,d,!1),a.ec=!1,K(a.eb,n)&&(bG(a,"MOL n. "+\n(a.yc.a+1)+" of "+a.yc.c),f=!0,a.t&&tG(xq(a.t,"SDFstack"),0,0,0),a.wc=!0,a.wc=!1));break;case 101:Sq(4,new wI(a));a.o=c;break;case 107:Sq(2,new xI(a));break;case 114:Sq(3,new yI(a));a.o=c;break;case 103:a.Xb=!0;a.o=c;break;case 105:a.D&&a.Mb&&(a.Mb=!1,zI(a.zb),a.Tb=!0,a.t&&tG(xq(a.t,Tg),0,0,0),f=a.wc=!0,a.o=c);a.mb=1;break;case 109:a.o=c;d=LH(a.zb);if(2==d){bG(a,"Copying the agent not possible !");break}d=jG(a.zb);if(!d)break;a.Tb=!0;a.zb=new xF(a.zb);f=lG(a,a.Q,a.yb);f=f.d+f.c/2-(d.d+d.c/2);nG(a.zb,\n2*f,0);a.Kb[++a.bc]=a.zb;a.q=a.bc;a.t&&tG(xq(a.t,"reactionCopy"),0,0,0);f=a.wc=!0;UH(a,109);TH(a,109);break;case 104:f=yF(a);break;case 213:a.o=c;if(!a._){var h,j,l;l=new cD;for(e=a.bb,g=0,h=e.length;g<h;++g)d=e[g],j=new WC(d),aD(l,j),j.c=d,QB(j.d,a);PA(a,l);a._=l}e=a.ab.b;d=M(a.ab.a*a.yb+0.5);e=M(e*a.yb+0.5);QH(a._.a,a,d,e);break;case 108:0<a.zb.u&&AI(a.zb,a.zb.u,0)&&(AF(a,ph,a.zb.u),f=!0)}else a.Sb=!0,a.Vb=!0,a.p=SG(a,b),bG(a,a.M),32==a.p&&Sq(5,new BI(a)),1301<=b&&1310>=b&&(a.p=33+(b-1301)),0<a.zb.u&&\n(a.p!=a.zb.b[a.zb.u].a&&32!=a.p?(CI(a.zb,a.zb.u,a.p),a.zb.b[a.zb.u].o=0,a.zb.b[a.zb.u].e=0,a.zb.b[a.zb.u].j=0,AF(a,ok+a.p,a.zb.u),f=!0):32==a.p&&(f=yr((DI(),EI).gd.a.mb,bl),FI(a.zb,a.zb.u,f),AF(a,ok+a.p,a.zb.u),f=!0));if(!f&&(0<a.zb.u||0<a.zb.v))if(206<=a.o&&229>=a.o)a.nb=2,GI(a.zb),f=!0,cG(a,Kg,a.q,0,a.zb.v);else if(202==a.o||203==a.o||204==a.o)if(0<a.zb.u)a.nb=0,f=a.zb,HI(f,f.u,0),cG(a,Hg,a.q,0,a.zb.v),f=!0;else{d=1;g=qk;switch(a.o){case 203:d=2;g=pk;break;case 204:d=3,g=rk}(e=d!=a.zb.c[a.zb.v].c)?\n(a.zb.c[a.zb.v].c=d,cG(a,g,a.q,0,a.zb.v),f=!0,a.zb.c[a.zb.v].f=0):2==d&&(f=a.zb.c[a.zb.v],2==f.c&&(f.f=10-f.f),f=!0)}f&&(a.Tb=!0,a.pc&&(a.rc=HH(a)),a.o=c);a.of(a.Tc.e);return!0}\nfunction KF(a,b,c,d){var e=null,f,g,h,j,l,m,r,o,s;null==e&&(e=vF(a));s=n;if(a.pc){r=HH(a);d?c=m=f=1:(f=r[1][0],m=r[3][0],c=r[3][0]);s+=Qa;s+=II(f,3)+II(m,3);0<r[2][0]&&(s+=II(c,3));s+=fa;for(o=y(B,v,-1,[1,3,2]),c=0,m=o.length;c<m;++c)if(g=o[c],d&&1<r[g][0]){f=D(nI,q,123,r[g][0]+1,0);for(h=r[g],j=0,l=h.length;j<l;++j)g=h[j],f[g]=a.Kb[g];f=new JI(a,f,f.length);s+=Na+UG(f,e,b)}else for(f=1;f<=r[g][0];++f)s+=Na+UG(a.Kb[r[g][f]],e,b)}else{1<a.bc&&(a.zb=new JI(a,a.Kb,a.bc));if(c){d=a.zb;e=KI(d,e,b,!0);\ne+="M  V30 BEGIN CTAB"+(gF(),fa);e+="M  V30 COUNTS "+d.o+ha+d.p+" 0 0 "+(d.f.a&&OH(d)?1:0)+fa;e+="M  V30 BEGIN ATOM\\n";o=-1.7976931348623157E308;h=1.7976931348623157E308;for(b=1;b<=d.o;++b)d.b[b].s>o&&(o=d.b[b].s),d.b[b].r<h&&(h=d.b[b].r);for(b=1;b<=d.o;++b)e+=gf,s=mH(d,b),e+=b+ha+s,s=LI(d.b[b]),e+=ha+MI(0.055999999999999994*(d.b[b].r-h),0,4)+ha+MI(0.055999999999999994*(o-d.b[b].s),0,4)+ha+MI(0,0,4)+ha+s,0!=d.b[b].o&&(e+=" CHG="+d.b[b].o),s=NI(d,b),0!=s&&(e+=" VAL="+s),e+=fa;e+="M  V30 END ATOM\\nM  V30 BEGIN BOND\\n";\nfor(b=1;b<=d.p;++b)e+=gf+b+ha+OI(d.c[b],!0)+fa;e+="M  V30 END BOND\\n";h=new kn;s=new kn;o=new kn;for(b=0;10>b;++b)Oq(s.b,s.c++,null),Oq(o.b,o.c++,null);for(b=1;b<=d.o;++b)c=d.b[b].b,null==c||0==c.length||(K(c,Fg)?dn(h,new NB(b)):0==c.indexOf("mix")?(c=lE(Ix(c,3),10),m=null,o.c>c&&(m=(CC(c,o.c),o.b[c])),null==m?r=new kn:r=m,dn(r,new NB(b)),IC(o,c,r)):0==c.indexOf(Cj)&&(c=lE(Ix(c,2),10),m=null,s.c>c&&(m=(CC(c,s.c),s.b[c])),null==m?r=new kn:r=m,dn(r,new NB(b)),IC(s,c,r)));e+=PI(hf,h);if(0<s.c)for(b=\n1;b<s.c;++b)e+=PI(kf+b,(CC(b,s.c),s.b[b]));if(0<o.c)for(b=1;b<o.c;++b)e+=PI(jf+b,(CC(b,o.c),o.b[b]));s=e=e+"M  V30 END CTAB\\n"+ef}else s=UG(a.zb,e,b);1<a.bc&&(a.zb=a.Kb[a.q])}return s}\nfunction QI(a,b,c,d){var e;a.Lb=!1;if(a.I&&MH(a,b,c,d))return a.Lb=!0,a.Ob=!1,!0;e=!0;a.Rc=c;a.Sc=d;bG(a,a.M);a.Mb=RI(b);a.Ob=!1;if(!a.N&&(c<Q(P(S(bH(a,a.yb))))||d<Q(P(S(cH(a,a.yb)))))){e=WG(a,c,d);if(112==e)return a.Gc=!0,bG(a,"Next ring will be added as spiro"),yH(a),a.Lb=!0;if(113==e)if(a.Ac)bG(a,"Move one atom"),yH(a);else return a.Lb=!0;if(!a.Qc&&1201==e||!a.mc&&107==e||!a.Ic&&201==e||!a.Qb&&103==e||!a.ac&&!a.D&&105==e||!a.pc&&109==e)return!1;e=qI(a,e)}else{if(!a.N&&d>a.Q.a-Q(P(S(a.N?0:a.xb*\na.yb))))return!1;var f=a.Rc,g=a.Sc,h,j,l,b=0;if(f<Q(P(S(bH(a,a.yb))))||g<Q(P(S(cH(a,a.yb))))||g>a.Fb||f>a.Jb)b=0;else if(1==a.bc)b=a.q;else{f=DH(a,f);l=EH(a,g);j=1.7976931348623157E308;for(g=1;g<=a.bc;++g){h=a.Kb[g];for(var m=void 0,r=void 0,o=void 0,r=1.7976931348623157E308,m=1;m<=h.o;++m)o=GH(f,l,h.b[m].r,h.b[m].s),o<r&&(r=o);h=r;h<j&&(j=h,b=g)}}0<b?(a.q=b,a.zb=a.Kb[b]):a.q=0;if(0<a.zb.u&&(ZF(),null!=a.b[Bd]?$F:aG).a)if(SI(a,a.q,a.zb.u,0,Bd),a.N&&!a.O)return!0;if(0<a.zb.v&&(ZF(),null!=a.b[Xd]?$F:\naG).a)if(SI(a,a.q,0,a.zb.v,Xd),a.N&&!a.O)return!0;a.Ob=!0;if(0<a.zb.u)if(a.pb.c=a.q,104==a.o)yF(a);else{if(106==a.o)return!0;if(108==a.o)AI(a.zb,a.zb.u,0)&&AF(a,ph,a.zb.u);else if(202==a.o||203==a.o||204==a.o||201==a.o||205==a.o)a.nb=1,c=a.zb,HI(c,c.u,0),a.zb.w=a.zb.u,205==a.o?(a.zb.q=1,a.zb.e[1]=a.zb.o,a.zb.e[0]=a.zb.u,a.zb.v=0,cG(a,Hg,a.q,0,a.zb.v),a.wc=!1):cG(a,Hg,a.q,0,a.zb.v);else if(206<=a.o&&229>=a.o)a.nb=2,GI(a.zb),AF(a,Jg,a.zb.u);else if(230==a.o)a.nb=3,AF(a,Lg,a.zb.u);else if(233<=a.o&&\n262>a.o)TI(a.zb,!1),AF(a,Ig,a.zb.u),a.nb=3;else if(107==a.o){if(a.nc.b)return!0;FI(a.zb,a.zb.u,yr(a.nc.e.gd.a.mb,bl));a.zb.j=!0;AF(a,"addAtomQuery",a.zb.u)}else if(105==a.o){if(a.rb)d=a.mb,a.tc=!0,a.rb=!1,bG(a,a.M);else{if(a.pc){b=LH(a.zb);c=a.Kb;d=0;g=HH(a)[b];for(b=1;b<=g[0];++b)f=dG(c[g[b]]),f>d&&(d=f)}else d=dG(a.zb);a.Mb||++d}c=a.zb;c.k.Hc?(c.i=-1,0==c.b[c.u].c?(c.b[c.u].c=4,c=!0):(c.b[c.u].c=0,c=!1)):(c=c.b[c.u],-1==d?(eG(c),c=!1):(c.i=d,c=!0));c?AF(a,"markAtom",a.zb.u):AF(a,"unMarkAtom",a.zb.u)}else if(113!=\na.o)if(300<a.o){if(a.p!=a.zb.b[a.zb.u].a||32==a.p)CI(a.zb,a.zb.u,a.p),a.zb.b[a.zb.u].o=0,a.zb.b[a.zb.u].e=0,a.zb.b[a.zb.u].j=0,32==a.p&&(c=yr((DI(),EI).gd.a.mb,bl),1>c.length&&(c=pg),FI(a.zb,a.zb.u,c)),AF(a,ok+a.p,a.zb.u)}else e=!1}else if(0<a.zb.v)if(a.pb.c=a.q,104==a.o)yF(a);else if(106==a.o){for(c=a.zb;;){d=0;for(b=c.o;1<=b;--b)c.b[b].d&&b>d&&(d=b);if(0==d)break;zF(c,d);c.b[d].d=!1}CF(a.zb);cG(a,"delBondGroup",a.q,0,a.zb.v);a.zb.v=0}else if(201==a.o)UI(a.zb,a.zb.v),cG(a,"setBondStereo",a.q,0,a.zb.v);\nelse if(202==a.o||205==a.o)1==a.zb.c[a.zb.v].c&&0==a.zb.c[a.zb.v].f?(a.zb.c[a.zb.v].c=2,cG(a,pk,a.q,0,a.zb.v)):(a.zb.c[a.zb.v].c=1,a.zb.c[a.zb.v].f=0,cG(a,qk,a.q,0,a.zb.v)),a.zb.c[a.zb.v].f=0;else if(203==a.o)c=2!=a.zb.c[a.zb.v].c,a.zb.c[a.zb.v].c=2,c?a.zb.c[a.zb.v].f=0:(c=a.zb.c[a.zb.v],2==c.c&&(c.f=10-c.f)),CF(a.zb),cG(a,pk,a.q,0,a.zb.v);else if(204==a.o)a.zb.c[a.zb.v].c=3,a.zb.c[a.zb.v].f=0,CF(a.zb),cG(a,rk,a.q,0,a.zb.v);else if(206<=a.o&&229>=a.o)a.nb=2,GI(a.zb),cG(a,Kg,a.q,0,a.zb.v),CF(a.zb);\nelse if(107==a.o){if(!a.nc.b)return!0;c=yr(a.nc.e.gd.a.mb,bl);a.zb.c[a.zb.v].c=9;a.zb.c[a.zb.v].d=c;cG(a,"setQueryBond",a.q,0,a.zb.v)}else 105==a.o?(c=a.zb,b=a.zb.v,c.k.tc=!0,c.k.Hc?(c.i=-1,d=c.c[b].i,b=c.c[b].j,f=c.b[d].c,g=c.b[b].c,j=4,f==g&&0<f&&(j=0),c.b[d].c=j,c.b[b].c=j,c=0<j):c=!1,c?cG(a,"markBond",a.q,0,a.zb.v):cG(a,"unMarkBond",a.q,0,a.zb.v)):e=!1;else if((0==a.bc||a.Xb)&&!a.N){if(201>=a.o)return!1;++a.bc;a.q=a.bc;a.Kb[a.bc]=new sG(a);a.zb=a.Kb[a.bc];a.pb.c=a.q;202<=a.o&&204>=a.o||205==a.o?\n(VI(a.zb,null),a.zb.p=0,WI(a.zb,1,DH(a,c),EH(a,d)),a.zb.u=1,a.zb.w=1,a.nb=1,b=a.zb,HI(b,b.u,0),205==a.o?(WI(a.zb,2,DH(a,c)+21.65,EH(a,d)-12.5),a.zb.e[0]=1,a.zb.e[1]=2,a.zb.q=1,cG(a,"addChain",a.q,0,a.zb.v)):cG(a,Hg,a.q,0,a.zb.v)):206<=a.o&&229>=a.o?(a.zb.y=DH(a,c),a.zb.z=EH(a,d),a.nb=2,GI(a.zb),a.t&&tG(xq(a.t,Jg),0,0,0),a.wc=!0):300<a.o?(VI(a.zb,null),CI(a.zb,1,a.p),a.zb.p=0,WI(a.zb,1,DH(a,c),EH(a,d)),a.zb.u=1,32==a.p&&(c=yr((DI(),EI).gd.a.mb,bl),1>c.length&&(c=pg),FI(a.zb,1,c)),AF(a,"addAtom",a.zb.u)):\n230==a.o?(fI(a,null,!0),a.t&&tG(xq(a.t,Lg),0,0,0),a.wc=!0):233<=a.o&&262>a.o?(VI(a.zb,null),a.zb.p=0,WI(a.zb,1,DH(a,c),EH(a,d)),a.zb.u=1,TI(a.zb,!0),a.t&&tG(xq(a.t,Ig),0,0,0),a.wc=!0):XD()}else e=!1;e&&VG(a)}return a.Lb=e}\nfunction XI(a,b,c,d){var e,f,g,h;if(!a.Ob||YI(b))return!0;a.Rb=!1;f=(c-a.Rc)/a.Ib;g=(d-a.Sc)/a.Ib;e=DH(a,c);h=EH(a,d);if(2==a.nb||3==a.nb||9==a.nb)return!0;if(1==a.nb){f=!1;a.Kb[a.pb.c].u=0;--a.zb.o;AH(a,c,d,a.Yb);++a.zb.o;if(0<a.Yb.c&&0<a.Yb.a&&(g=a.Kb[a.Yb.c],g.u=a.Yb.a,g!=a.zb||a.Yb.a!=a.zb.w))WI(a.zb,a.zb.o,g.b[a.Yb.a].r,g.b[a.Yb.a].s),g.u=a.Yb.a,f=!0,g=a.pb,b=a.Yb,g.c=b.c,g.a=b.a,g.b=b.b;if(!f)a:{f=a.zb;var j,l,m,r,o;f.u=0;ZI(f.b[0],e,h);g=$I(f,0,1,f.o);if(0<g&&205!=f.k.o)f.u=g,g!=f.w?WI(f,f.o,\nf.b[g].r,f.b[g].s):WI(f,f.o,f.y,f.z);else if(205==f.k.o){f.v=0;g=f.e[f.q];l=f.e[f.q-1];j=f.b[g].r-f.b[l].r;b=f.b[g].s-f.b[l].s;g=Math.sqrt(j*j+b*b);1>g&&(g=1);b/=g;j/=g;m=g/2/Math.tan(0.5235987755982988);r=e-f.b[l].r;o=h-f.b[l].s;l=-g/2+r*j+o*b;b=o*j-r*b;if(0>l)if(1<f.q)zF(f,f.o),AF(f.k,"deleteAtom",f.o),--f.q,f.t=!1;else if(2==f.o)0>f.b[2].s-f.b[1].s&&0<h-f.b[1].s?f.b[2].s=f.b[1].s+g/2:0<f.b[2].s-f.b[1].s&&0>h-f.b[1].s&&(f.b[2].s=f.b[1].s-g/2),0>f.b[2].r-f.b[1].r&&0<e-f.b[1].r?f.b[2].r=f.b[1].r+\n0.866*g:0<f.b[2].r-f.b[1].r&&0>e-f.b[1].r&&(f.b[2].r=f.b[1].r-0.866*g);else{if(2==f.b[f.e[0]].k&&(m=f.b[f.e[0]].q[1],m==f.e[1]&&(m=f.b[f.e[0]].q[2]),j=f.b[f.e[0]].r-f.b[m].r,b=f.b[f.e[0]].s-f.b[m].s,g=Math.sqrt(j*j+b*b),1>g&&(g=1),b/=g,j/=g,r=e-f.b[m].r,o=h-f.b[m].s,e=o*j-r*b,r=f.b[f.e[1]].r-f.b[m].r,o=f.b[f.e[1]].s-f.b[m].s,h=o*j-r*b,0<e&&0>h||0>e&&0<h))e=f.p,f.u=f.e[0],HI(f,f.u,0),BF(f,e),0<$I(f,f.o,1,f.o)&&(f.t=!0)}else{if(f.t)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=b?0-b:b)>e){++f.q;\nif(100<f.q){aJ(f.k,"You are too focused on chains, enough of it for now !");--f.q;break a}f.u=f.o;e=Q(P(Math.round(b)));HI(f,f.u,e);e=f.k;cG(e,Hg,e.q,0,e.zb.v);f.k.wc=!1;f.e[f.q]=f.o;0<$I(f,f.o,1,f.o)&&(f.t=!0)}}f.u=0;e=f.q;bG(f.k,e+n)}else j=e-f.b[f.w].r,b=h-f.b[f.w].s,g=Math.sqrt(j*j+b*b),1>g&&(g=1),WI(f,f.o,f.b[f.w].r+25*(j/g),f.b[f.w].s+25*(b/g))}a.E=!0}else if(113==a.o&&0<a.zb.u)a.Pb||(a.Pb=!0),WI(a.zb,a.zb.u,e,h);else if(RI(b)||YI(b))XF(a.zb,f),a.nb=5;else if(0==a.zb.u&&0==a.zb.v&&!((c<Q(P(S(bH(a,\na.yb))))||d<Q(P(S(cH(a,a.yb))))||d>a.Fb||c>a.Jb)&&5!=a.nb))e=lG(a,a.Q,a.yb),h=a.zb,0!=h.o&&(j=jG(h),b=j.d+j.c/2,j=j.e+j.b/2,0>f&&b<e.d||0<f&&b>e.c||0>g&&j<e.e||0<g&&j>e.b||nG(h,f,g)),a.nb=5;VG(a);a.Rc=c;a.Sc=d;return!0}\nfunction SH(a,b,c,d){var e,f;if(!a.N||a.jg().a||a.kg().a||a.O)if(f=!1,e=WG(a,c,d),e!=a.Nb&&(f|=UH(a,a.Nb),f|=TH(a,e),a.Nb=e),!NH(b)){AH(a,c,d,a.Yb);113==e&&0<a.Yb.b&&(a.Yb.b=0);if(!(a.Yb.c==a.pb.c&&a.Yb.a==a.pb.a&&a.Yb.b==a.pb.b)&&(0<a.Yb.c&&(0<a.Yb.a||0<a.Yb.b)||0<a.pb.c&&(0<a.pb.a||0<a.pb.b)))f=a.pb.c,0<f&&(a.Kb[f].u=0,a.Kb[f].v=0),f=a.Yb.c,0<f&&(a.Kb[f].u=a.Yb.a,a.Kb[f].v=a.Yb.b,f!=a.q&&(a.q=f,a.zb=a.Kb[a.q])),f=!0,b=a.Yb.a,a.jg().a&&(b=bJ(a,b,a.kc),-1!=b&&(a.kc=b,null!=a.$b&&LE(a.$b,y(cJ,q,102,\n[new NB(a.q),new NB(b)])),a.pg(a.q,b))),b=a.Yb.b,a.kg().a&&(b=bJ(a,b,a.lc),-1!=b&&(a.lc=b,a.rg(a.q,b))),b=a.pb,c=a.Yb,b.c=c.c,b.a=c.a,b.b=c.b;f&&(FF(a,!1),a.Tb=!0,a.of(a.Tc.e))}}\nfunction dJ(a,b,c){var d,e,f,g,h;f=!1;a.Pb&&(a.Pb=!1,f=a.wc=!0);a.Rb=!1;a.ob=ol;if(1==a.nb){if(205==a.o)f=a.zb,f.t&&(g=$I(f,f.o,1,f.o),6>f.b[g].k&&(eJ(f,null),d=f.e[f.q-1],f.c[f.p].i=g,f.c[f.p].j=d,fJ(f.b[g],d),fJ(f.b[g],d)),zF(f,f.o)),f.t=!1,a.wc=!0;else if(0!=a.pb.c&&a.q!=a.pb.c){zF(a.zb,a.zb.o);d=a.zb.w;e=a.pb.a+a.zb.o;g=a.Kb[a.pb.c];f=new JI(a,y(nI,q,123,[null,a.zb,g]),2);f.b[0]=new gJ;hJ(f,d,e,1);d=D(nI,q,123,a.Kb.length,0);for(h=0,e=0;h<a.Kb.length;++h)a.Kb[h]==a.zb?d[e++]=f:a.Kb[h]!=g&&(d[e++]=\na.Kb[h]);a.Kb=d;--a.bc;a.zb=f;BH(a.pb)}else f=a.zb,g=$I(f,f.o,1,f.o),0!=g&&(--f.o,d=iJ(f,g,f.w),0!=d?(--f.p,jJ(f,f.w),3>f.c[d].c?(++f.c[d].c,f.c[d].f=0):bG(f.k,"Maximum allowed bond order is 3 !")):6==f.b[g].k?(--f.p,jJ(f,f.w),bG(f.k,"Not possible connection !")):(f.c[f.p].j=g,jJ(f,f.w),d=f.w,fJ(f.b[g],d),fJ(f.b[d],g),kJ(f.c[f.p],f.b)));a.E&&(f=a.Ab,f.a!=f.b&&f.a.b!=f.b&&(g=f.a.c,sI(f),f.a.c=g),cG(a,Hg,a.q,0,a.zb.v),a.E=!1);f=!0}else 5==a.nb&&(f=a.wc=!0);if(0<a.nb){if(5==a.nb&&a.pc){f=HH(a);null==\na.rc&&(a.rc=f);a:{g=a.rc;for(h=1;3>=h;++h)if(!mE(g[h],f[h])){e=g[h][0];for(d=1;d<=e;++d)if(g[h][d]!=f[h][d]){f=0==g[h][d]?f[h][d]:g[h][d];break a}}f=0}0!=f&&(!!a.t&&tG(xq(a.t,"changeReactionRole"),0,0,f),a.wc=!0)}VG(a);a.nb=0;a.s=!1;f=!0}if(pF&&(0!=a.zb.v||0!=a.zb.u))a.zb.v=0,a.zb.u=0,VG(a),f=!0;if(g=!f&&!a.Lb&&a.Z)g=a.Z,d=a.Z.a,b=(b-M(d.j.d))/d.i,d=a.Z.a,c-=M(d.j.e),g=eD(g,b,c/d.i);if(g)if(f=!0,a.hb=lJ(),a.hb)$doc.exitFullscreen?$doc.exitFullscreen():$doc.msExitFullscreen?$doc.msExitFullscreen():\n$doc.mozCancelFullScreen?$doc.mozCancelFullScreen():$doc.webkitCancelFullScreen&&$doc.webkitCancelFullScreen();else{c=a.Tc;b=c.mb;g=!1;d=b.requestFullScreen||b.webkitRequestFullScreen||b.mozRequestFullScreen||b.msRequestFullscreen;if(d=c.Zh(b))d.call(b),g=!0;g||$wnd.alert("Fullscreen is not supported on your web browser")}a.Kc&&!a.Lb&&!f&&(a.N?mJ(a,"nodepict",!0):mJ(a,Gh,!0),a.i&&(a=a.i,a.b.a.apply(null,[nJ(a.a)])),f=!0);return f}function qG(a,b,c){var d;for(d=1;d<=a.bc;++d)nG(a.Kb[d],b,c)}\nfunction FF(a,b){a.Sb=b;a.Vb=b;a.Tb=b;a.Rb=b;a.Ub=b}function bJ(a,b,c){if(0>=b&&0==c||b==c&&a.q==a.ic)return-1;0>=b&&0<c&&(b=0);a.ic=a.q;return b}\nfunction mJ(a,b,c){var d,e,b=b.toLowerCase();(e=oJ(a,b,"rbutton"))&&(a.oc=e.a);(e=oJ(a,b,"hydrogens"))&&(a.Dc=e.a);-1<b.indexOf("keephs")&&(a.lb=!0,a.sc=!1);-1<b.indexOf("removehs")&&(a.lb=!1,a.sc=!1);-1<b.indexOf("removehsc")&&(a.lb=!1,a.sc=!0);(e=oJ(a,b,"query"))&&(a.mc=e.a);(e=oJ(a,b,"reaction"))&&(a.pc=e.a);(e=oJ(a,b,"autoez"))&&(a.C=e.a);(e=oJ(a,b,"stereo"))&&(a.Ic=e.a);(e=oJ(a,b,"canonize"))&&(a.F=e.a);(e=oJ(a,b,hj))&&(a.Qb=e.a);if((e=(ZF(),oJ(a,b,Tg)?$F:aG)).a)a.D=e.a,a.D&&(a.ac=!0);if((e=\noJ(a,b,qj)?$F:aG).a)a.ac=e.a,a.ac||(a.D=!1);if(e=oJ(a,b,"newlook"))a.Wb=e.a,a.vg();if(e=oJ(a,b,"oldlook"))a.Wb=!e.a,a.vg();(e=oJ(a,b,"star"))&&(a.ac=a.Hc=e.a);(e=oJ(a,b,"polarnitro"))&&(a.gc=e.a);(e=oJ(a,b,"toggle"))&&(a.Kc=e.a);if(e=oJ(a,b,"depictaction"))(a.O=e.a)&&(b+=" depict");if(e=oJ(a,b,Gh))if(e.a&&!a.N&&(a.N=!0,a.xb=0,a.Gb=null,a.cc=!1,a.vg()),!e.a&&a.N){a.N=!1;for(d=a.Ib=1;d<=a.bc;++d)pJ(a.Kb[d]),mG(a.Kb[d]);a.xb=24;a.zb&&(a.zb.r=!0);a.cc=!0;a.vg()}(e=oJ(a,b,"showDragAndDropIconInDepictMode"))&&\n(a.Cc=e.a);(e=oJ(a,b,"showDragAndDropSymbolInDepictMode"))&&(a.Cc=e.a);(e=oJ(a,b,"addNewPart"))&&(a.r=e.a);(e=oJ(a,b,"exportInchi"))&&(a.S=e.a);(e=oJ(a,b,"exportInchiKey"))&&(a.U=e.a);(e=oJ(a,b,"exportInchiAuxInfo"))&&(a.T=e.a);(e=oJ(a,b,"searchInchiKey"))&&(a.zc=e.a);(e=oJ(a,b,"exportSVG"))&&(a.W=e.a);(e=oJ(a,b,"exportRXNmerge"))&&(a.V=e.a);(e=oJ(a,b,"contextMenu"))&&(a.I=e.a);(e=oJ(a,b,"fullScreenIcon"))&&(a.$=e.a);e=oJ(a,b,"showFullScreenIconInDepictMode");(e=oJ(a,b,"useOclIDCode"))&&(a.Oc=e.a);\n(e=oJ(a,b,"xbutton"))&&(a.Qc=e.a);(e=oJ(a,b,Lj))&&(a.cc=e.a);(e=oJ(a,b,ch))&&(a.P=e.a);-1<b.indexOf("nocenter")&&(a.Zb=!0);-1<b.indexOf("jmeh")&&(a.kb=!0);-1<b.indexOf("showan")&&(a.Bc=!0);(e=oJ(a,b,"atommovebutton"))&&(a.Ac=e.a);(e=oJ(a,b,"useopenchemlib"))&&(a.Pc=e.a);(e=oJ(a,b,jl))&&(a.u=e.a);a.pc&&(a.D=!0,a.Qb=!0);a.N||(a.P=!1);XG=YG(a);a.J=null;a.K=null;c&&a.of(a.Tc.e)}\nfunction oJ(a,b,c){var d;d=!!IE(KE(xg+c+xg,2),b).a;b=!!IE(KE("\\\\bno"+c+xg,2),b).a;return d&&b?(a.ug("check option "+c),null):d?(ZF(),ZF(),$F):b?(ZF(),ZF(),aG):null}\nfunction qJ(a,b){var c,d,e;e=n;for(d=1;d<=a.bc;++d){if(0<b&&(c=LH(a.Kb[d]),c!=b))continue;c=a.Kb[d];for(var f=void 0,g=void 0,h=f=void 0,j=void 0,l=g=g=void 0,m=void 0,r=void 0,f=void 0,m=n+c.o+ha+c.p,j=1;j<=c.o;++j){f=c.b[j];g=f.e;f=n;0!=g&&(f+=g);f+=mH(c,j);if((c.k.kb||0<NI(c,j))&&0<c.b[j].j)f+=Ie,1<c.b[j].j&&(f+=c.b[j].j);0!=c.b[j].o&&(0<c.b[j].o?f+=mb:f+=tb,1<pH(c.b[j].o)&&(f+=pH(c.b[j].o)));g=rJ(c,j);0!=g&&(f+=Kc+g);m+=ha+f+ha+MI(0.055999999999999994*c.b[j].r,0,2)+ha+MI(0.055999999999999994*\n-c.b[j].s,0,2)}for(j=1;j<=c.p;++j)f=c.c[j].i,g=c.c[j].j,l=c.c[j].c,r=c.c[j].f,1==r?l=-1:2==r?l=-2:3==r?(l=-1,h=f,f=g,g=h):4==r?(l=-2,h=f,f=g,g=h):10==r&&(l=-5),9==c.c[j].c&&(l=r),m+=ha+f+ha+g+ha+l;c=m;0<c.length&&(0<e.length&&(e+=ll),e+=c)}return e}\nfunction wF(a,b){var c,d,e,f;e=n;for(c=1;c<=a.bc;++c){if(0<b&&(d=LH(a.Kb[c]),d!=b))continue;for(var g=a.Kb[c],h=void 0,j=void 0,l=void 0,m=void 0,r=void 0,m=n,h=new xF(g),l=DF(h),j=0;j<l.length;++j){var o=l[j],s=(ZF(),g.k.Ic?$F:aG),z=void 0,u=void 0,F=void 0,A=void 0,t=void 0,H=void 0,N=void 0,U=void 0,da=void 0,ba=void 0,ea=void 0,Fb=void 0,wc=void 0,T=void 0,ec=void 0,ga=void 0,ca=void 0,Ua=void 0,Lb=void 0,Rb=void 0,ob=void 0,I=void 0,Gb=void 0,Cd=void 0,La=void 0,Db=void 0,oe=void 0,qb=void 0,\nVa=void 0,Ma=void 0,Xb=void 0;if(0==o.o)r=n;else{Fb=hH(o.o+10);wc=hH(o.o+10);ba=hH(o.o+1);ea=hH(7);Db=hH(o.o+1);ec=[];ga=[];da=hH(o.p+1);Gb=0;La=!0;for(U=1;U<=o.p;++U)if(9==o.c[U].c||0==o.c[U].c){La=!1;break}if((g.k.F?$F:aG).a&&La){fG(o);sJ(o);tJ(o,da);uJ(o,ec,da);var G=o,Za=void 0,xc=void 0,Yb=void 0,ia=void 0,yc=void 0,$=void 0,R=void 0,rb=void 0,$a=void 0,kd=void 0,gc=void 0,O=void 0,ma=void 0,Qc=void 0,Ha=void 0,ld=void 0,yb=void 0,Rc=void 0,pe=void 0,Pd=void 0,qc=void 0,Lc=void 0,Za=hH(G.o+1),\nxc=hH(G.o+1),rb=hH(G.o+1);var Pa=G.o,$c=void 0,hc=void 0,ad=void 0,Dc=void 0,L=void 0,kb=void 0,Gd=void 0,L=hH(Pa+2),kb=hH(100),Gd=5,Dc=0;kb[0]=3;L[1]=ql;L[2]=rl;ad=2;if(!(3>Pa))for(;Gd<kb[Dc]*kb[Dc];){hc=0;for($c=!0;$c&&hc<=Dc&&Gd>=kb[hc]*kb[hc];)0==Gd%kb[hc]?$c=!1:++hc;if($c){L[++ad]=Tv(Gd);if(ad>=Pa)break;Dc<kb.length-1&&(++Dc,kb[Dc]=Gd)}Gd+=2}for(O=1;O<=G.o;++O){Yb=G.b[O];for(ma=Pd=1;ma<=G.p;++ma)(G.c[ma].i==O||G.c[ma].j==O)&&(Pd*=G.d[ma]);pe=G.b[O].a;32==pe&&(Lc=G.b[O].f,0<Lc.length&&($=Lc.charCodeAt(0)-\n65+1,R=0,1<Lc.length&&(R=Lc.charCodeAt(1)-97),0>$&&($=0),0>R&&(R=0),pe=28*$+R));yb=0;0!=G.b[O].o&&(-2>G.b[O].o?yb=1:-2==G.b[O].o?yb=2:-1==G.b[O].o?yb=3:1==G.b[O].o?yb=4:2==G.b[O].o?yb=5:2<G.b[O].o&&(yb=6));kd=0;0!=Yb.e&&(kd=vJ(mH(G,O),Yb.e),0>kd&&(kd=10-kd));qc=126;$a=Pd;$a+=126*G.b[O].j;qc*=7;$a+=yb*qc;qc*=7;0!=kd&&($a+=kd*qc);qc*=7;$a+=pe*qc;qc*=783;$a+=G.b[O].k*qc;rb[O]=Tv($a)}for(yc=0;!wJ(G,Za,rb);){ld=!1;for(O=1;O<=G.o;++O)Za[O]!=xc[O]&&(xc[O]=Za[O],ld=!0);if(ld){for(O=1;O<=G.o;++O){rb[O]=pl;\nfor(ma=1;ma<=G.b[O].k;++ma)rb[O]=Xv(rb[O],L[Za[G.b[O].q[ma]]])}yc=0}else if(0<yc){for(O=1;O<=G.o;++O)rb[O]=pl;O=1;b:for(;O<=G.o-1;++O)for(ma=O+1;ma<=G.o;++ma)if(Za[O]==Za[ma]){rb[O]=ql;break b}}else{for(O=1;O<=G.o;++O){rb[O]=pl;for(ma=1;ma<=G.b[O].k;++ma)Yb=G.b[O].q[ma],rb[O]=Xv(rb[O],Tv(G.b[Yb].a*G.d[iJ(G,O,Yb)]))}yc=1}wJ(G,Za,rb);for(O=1;O<=G.o;++O)rb[O]=Tv(xc[O]*G.o+Za[O])}for(O=1;O<=G.o;++O)xc[O]=Za[O];for(Rc=1;Rc<=G.o;++Rc)for(O=1;O<=G.o;++O)if(xc[O]==Rc){var Mc=G.b,td=O,Qd=void 0,Qd=Mc[Rc];\nOq(Mc,Rc,Mc[td]);Oq(Mc,td,Qd);xc[O]=xc[Rc];xc[Rc]=Rc;break}for(O=1;O<=G.p;++O)G.c[O].i=Za[G.c[O].i],G.c[O].j=Za[G.c[O].j],G.c[O].i>G.c[O].j&&(gc=G.c[O].i,G.c[O].i=G.c[O].j,G.c[O].j=gc,1==G.c[O].f?G.c[O].f=3:2==G.c[O].f?G.c[O].f=4:3==G.c[O].f?G.c[O].f=1:4==G.c[O].f&&(G.c[O].f=2));for(O=1;O<G.p;++O){Ha=Qc=G.o;ia=0;for(ma=O;ma<=G.p;++ma)G.c[ma].i<Qc?(Qc=G.c[ma].i,Ha=G.c[ma].j,ia=ma):G.c[ma].i==Qc&&G.c[ma].j<Ha&&(Ha=G.c[ma].j,ia=ma);var Hd=G.c,ud=O,Tb=void 0,Tb=Hd[ia];Oq(Hd,ia,Hd[ud]);Oq(Hd,ud,Tb)}xJ(G);\nyJ(o);tJ(o,da);uJ(o,ec,da)}else{tJ(o,da);o.d=hH(o.p+1);for(T=1;T<=o.p;++T)o.d[T]=o.c[T].c}for(U=1;U<=o.p;++U)ga[U]=0<da[U];u=1;o.a=hH(o.o+1);Xb=1;o.a[1]=1;for(ob=0;;){I=0;for(T=1;T<=o.b[u].k;++T)if(H=o.b[u].q[T],0<o.a[H]){if(!(o.a[H]>o.a[u])&&H!=Db[u]){Cd=!0;for(Ua=1;Ua<=Gb;++Ua)if(Fb[Ua]==u&&wc[Ua]==H||Fb[Ua]==H&&wc[Ua]==u){Cd=!1;break}Cd&&(++Gb,Fb[Gb]=u,wc[Gb]=H)}}else ea[++I]=H;if(0==I){if(Xb==o.o)break;u=ba[ob--]}else if(1==I)Db[ea[1]]=u,u=ea[1],o.a[u]=++Xb;else{ba[++ob]=u;A=0;for(T=1;T<=I;++T)if(U=\niJ(o,ea[T],u),!ga[U]){A=ea[T];break}if(0==A)for(T=1;T<=I;++T)if(U=iJ(o,ea[T],u),2==o.d[U]||3==o.d[U]){A=ea[T];break}0==A&&(A=ea[1]);Db[A]=u;u=A;o.a[A]=++Xb}}Db=hH(o.o+1);z=hH(o.o+1);Lb=[];oe=[];t=Xb=ob=0;for(T=1;T<=o.o;++T)if(1==o.a[T]){u=T;break}b:for(;;){0<t&&(Db[u]=t);z[++Xb]=u;for(o.a[u]=0;;){I=A=0;Rb=o.o+1;T=1;c:for(;T<=o.b[u].k;++T){H=o.b[u].q[T];for(ca=1;ca<=Gb;++ca)if(Fb[ca]==H&&wc[ca]==u||Fb[ca]==u&&wc[ca]==H)continue c;0<o.a[H]&&(++I,o.a[H]<Rb&&(A=H,Rb=o.a[H]))}if(0==A){if(0==ob)break b;\noe[u]=!0;u=ba[ob--]}else break}t=u;u=A;1<I&&(ba[++ob]=t,Lb[A]=!0)}qb=hH(o.p+1);Va=hH(o.o+1);if(s.a){for(var Hb=o,na=z,Rd=Db,Sc=qb,md=Va,Id=da,ic=Fb,Ea=wc,mf=Gb,Wa=void 0,Ra=void 0,Tc=void 0,zc=void 0,jc=void 0,ce=void 0,vd=void 0,nd=void 0,kc=void 0,Zb=void 0,zc=hH(Hb.o+1),Wa=1;Wa<=Hb.o;++Wa)zc[na[Wa]]=Wa;ce=[];for(nd=1;nd<=Hb.o;++nd)Ra=na[nd],Tc=Rd[Ra],jc=iJ(Hb,Ra,Tc),0!=jc&&(zJ(Hb,jc,zc,Sc,Id),ce[jc]=!0);for(nd=1;nd<=Hb.p;++nd)ce[nd]||zJ(Hb,nd,zc,Sc,Id);Wa=1;b:for(;Wa<=Hb.o;++Wa)if(!(2>Hb.b[Wa].k||\n4<Hb.b[Wa].k)){vd=Zb=0;for(kc=1;kc<=Hb.b[Wa].k;++kc){jc=iJ(Hb,Wa,Hb.b[Wa].q[kc]);if(5==Hb.d[jc])continue b;1==Hb.c[jc].c&&0!=AJ(Hb,jc,Wa)&&++Zb;2==Hb.c[jc].c&&(vd=Hb.b[Wa].q[kc])}if(0!=Zb)if(0<vd){var zb=Hb,de=zc,Nb=md,Uc=void 0,rc=void 0,Vc=void 0,lc=void 0,Y=void 0,nf=void 0,Ab=void 0,ua=void 0,Jd=void 0,lb=void 0,od=void 0,fb=void 0,Ye=void 0,Dd=void 0,pd=void 0,of=void 0,ye=void 0,mc=void 0,Ze=void 0,nc=void 0,ee=void 0,Ac=void 0,Bc=void 0,bd=void 0,Vc=BJ(zb,Wa),lb=Vc[0];if(0!=lb%2&&(bd=Vc[1],\nrc=Vc[~~((lb+1)/2)],Ab=Vc[lb],!(2>zb.b[Ab].k||3<zb.b[Ab].k))){nc=mc=Dd=fb=0;Ac=of=!1;for(Jd=1;Jd<=zb.b[bd].k;++Jd)Uc=zb.b[bd].q[Jd],Uc!=Vc[2]&&(0==fb?fb=Uc:Dd=Uc);0<de[Dd]&&de[fb]>de[Dd]&&(lc=fb,fb=Dd,Dd=lc);od=fb;0==fb&&(od=Dd,of=!0);for(ua=1;ua<=zb.b[Ab].k;++ua)Uc=zb.b[Ab].q[ua],Uc!=Vc[lb-1]&&(0==mc?mc=Uc:nc=Uc);0<de[nc]&&de[mc]>de[nc]&&(lc=mc,mc=nc,nc=lc);ye=mc;0==mc&&(ye=nc,Ac=!0);Ye=0<fb?AJ(zb,iJ(zb,bd,fb),bd):0;pd=0<Dd?AJ(zb,iJ(zb,bd,Dd),bd):0;Ze=0<mc?AJ(zb,iJ(zb,Ab,mc),Ab):0;ee=0<nc?AJ(zb,\niJ(zb,Ab,nc),Ab):0;1<(0>Ye+pd?-(Ye+pd):Ye+pd)||0!=Ze||0!=ee?bG(zb.k,"Bad stereoinfo on allene !"):(Y=zb.b[Vc[lb-1]].r-zb.b[Ab].r,nf=zb.b[Vc[lb-1]].s-zb.b[Ab].s,Bc=Math.sqrt(Y*Y+nf*nf),0.001>Bc&&(Bc=0.001),0<(zb.b[ye].s-zb.b[Vc[lb-1]].s)*(Y/Bc)-(zb.b[ye].r-zb.b[Vc[lb-1]].r)*(nf/Bc)?Nb[rc]=1:Nb[rc]=-1,of&&(Nb[rc]*=-1),Ac&&(Nb[rc]*=-1),od==fb&&0>Ye&&(Nb[rc]*=-1),od==Dd&&0>pd&&(Nb[rc]*=-1),de[od]>de[ye]&&(Nb[rc]*=-1))}}else c:{var Ib=Hb,sc=Wa,Le=Rd,tc=zc,Wd=ic,cd=Ea,uc=mf,Me=md,$f=void 0,Ed=void 0,qe=\nvoid 0,fe=void 0,Sa=void 0,$b=void 0,dd=void 0,Kd=void 0,ed=void 0,Hc=void 0,Xa=void 0,Ta=void 0,Sd=void 0,pf=void 0,ge=void 0,aa=void 0,ag=void 0,Ta=hH(4),pf=hH(4),he=void 0,Ec=void 0,wd=void 0,bg=void 0,If=void 0,Jf=void 0,Jf=-1;0<Le[sc]&&(Ta[++Jf]=Le[sc]);for(Ec=1;Ec<=uc;++Ec)Wd[Ec]==sc&&(Ta[++Jf]=cd[Ec]),cd[Ec]==sc&&(Ta[++Jf]=Wd[Ec]);for(Ec=Jf+1;Ec<Ib.b[sc].k;++Ec){If=Ib.o+1;wd=1;d:for(;wd<=Ib.b[sc].k;++wd){he=Ib.b[sc].q[wd];for(bg=0;bg<Ec;++bg)if(he==Ta[bg])continue d;tc[he]<If&&(If=tc[he],Ta[Ec]=\nhe)}}0==Le[sc]&&0<Ib.b[sc].j?(Ta[3]=Ta[2],Ta[2]=Ta[1],Ta[1]=Ta[0],Ta[0]=-1):0<Ib.b[sc].j&&(Ta[3]=Ta[2],Ta[2]=Ta[1],Ta[1]=-1);for(Sa=Kd=$b=fe=ag=dd=Hc=0;4>Sa;++Sa)0>=Ta[Sa]||($f=iJ(Ib,sc,Ta[Sa]),pf[Sa]=AJ(Ib,$f,sc),0<pf[Sa]?(++Hc,ag=Ta[Sa],$b=Ta[Sa]):0>pf[Sa]?(++dd,fe=Ta[Sa],$b=Ta[Sa]):Kd=Ta[Sa]);ed=Hc+dd;aa=hH(4);ge=0;if(3==Ib.b[sc].k){if(1==Hc&&1==dd||3==ed&&0<Hc&&0<dd){bG(Ib.k,"Error in C3H stereospecification !");break c}Sd=Ta[0];1==ed?Sd=$b:2==ed&&(Sd=Kd);Xa=CJ(Ib,sc,Sd,Ta);aa[0]=$b;aa[1]=-1;\naa[2]=Xa[2];aa[3]=Xa[1];0<Hc?ge=1:ge=-1}else if(4==Ib.b[sc].k)if(1==ed)Xa=CJ(Ib,sc,$b,Ta),aa[0]=Xa[0],aa[1]=Xa[3],aa[2]=Xa[2],aa[3]=Xa[1],0<Hc?ge=1:ge=-1;else{Sd=Ta[0];1<Kd&&(Sd=Kd);1==Hc?Sd=ag:1==dd&&(Sd=fe);Xa=CJ(Ib,sc,Sd,Ta);Ed=hH(4);for(Sa=0;4>Sa;++Sa)$f=iJ(Ib,sc,Xa[Sa]),Ed[Sa]=AJ(Ib,$f,sc);if(4==ed){if(0==Hc||0==dd){bG(Ib.k,"Error in C4 stereospecification !");break 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0;Ta[0]==aa[1]?(Wc=aa[0],aa[0]=aa[1],aa[1]=Wc,Wc=aa[2],aa[2]=aa[3],aa[3]=Wc):Ta[0]==aa[2]?(Wc=aa[2],aa[2]=aa[0],aa[0]=Wc,Wc=aa[1],aa[1]=aa[3],aa[3]=Wc):Ta[0]==aa[3]&&(Wc=aa[3],aa[3]=aa[0],aa[0]=Wc,Wc=aa[1],aa[1]=aa[2],aa[2]=Wc);Ta[1]==aa[2]?(Wc=aa[1],aa[1]=aa[2],aa[2]=Wc,Wc=aa[2],aa[2]=aa[3],aa[3]=Wc):Ta[1]==aa[3]&&(Wc=aa[1],aa[1]=aa[3],aa[3]=Wc,Wc=aa[2],aa[2]=aa[3],aa[3]=Wc);aa[2]==Ta[2]?Me[sc]=1:aa[2]==Ta[3]?Me[sc]=-1:bG(Ib.k,"Error in stereoprocessing ! - t30");Me[sc]*=ge}}}Ma=\nnew DJ;N=hH(o.o+1);for(T=1;T<=o.o;++T)N[z[T]]=T;for(T=1;T<=o.o;++T){u=z[T];Lb[u]&&aq(Ma.a,hb);0<Db[T]&&EJ(o,u,Db[u],Ma,qb);var Ld=u,Qh=Ma,Kf=ec[u],yg=Va,$e=void 0,Bb=void 0,Md=void 0,ih=void 0,qf=void 0,nj=void 0,cg=void 0,fd=void 0,ta=void 0,ta=pg,Bb=o.b[Ld],qf=Bb.e,cg=Bb.j,fd=Bb.o,$e=Bb.a,Md=!1;(0!=fd||0!=qf)&&(Md=!0);0!=yg[Ld]&&(Md=!0);nj=rJ(o,Ld);ih=0!=nj;Md=Md||ih;o.k.Hc&&0<o.b[Ld].c&&(Md=!0);switch($e){case 2:ta=Td;break;case 3:Kf?ta=gh:ta=$d;break;case 4:Kf?(ta=ij,0<cg&&(Md=!0)):ta=uf;break;\ncase 5:Kf?ta="o":ta=Bf;break;case 7:Kf?(ta=Fj,0<cg&&(Md=!0)):ta=Df;break;case 8:Kf?ta=hk:ta=Yf;break;case 13:Kf?ta=lk:ta=eg;Md=!0;break;case 6:ta=hg;Md=!0;break;case 9:ta=Ce;break;case 10:ta=me;break;case 11:ta=Zd;break;case 12:ta=Oe;break;case 1:ta=Ie;Md=!0;break;case 32:Md=!0,ta=o.b[Ld].f,!ih&&(K(ta,jb)||K(ta,Eg)||K(ta,sd))&&(Md=!1)}0<uF($e)&&(ta=(gF(),nF)[$e],Md=!0);33<=$e&&42>=$e&&(Md=!0,ta=(gF(),nF)[$e]);Md&&(0!=qf?ta=rg+qf+ta:ta=rg+ta,1==yg[Ld]?ta+=rd:-1==yg[Ld]&&(ta+="@@"),1==cg?ta+=Ie:1<cg&&\n(ta+=Ie+cg),0!=fd&&(0<fd?ta+=mb:ta+=tb,1<(0>fd?-fd:fd)&&(ta+=0>fd?-fd:fd)),ih&&(ta+=Kc+nj),ta+=zg);aq(Qh.a,ta);for(ca=1;ca<=Gb;++ca)if(Fb[ca]==u||wc[ca]==u)F=wc[ca],F==u&&(F=Fb[ca]),N[u]<N[F]&&EJ(o,Fb[ca],wc[ca],Ma,qb),9<ca&&aq(Ma.a,Ya),bq(Ma,n+(new NB(ca)).a);oe[u]&&aq(Ma.a,ib)}r=ur(Ma.a)}0<m.length&&(m+=fc);m+=r}f=m;0<f.length&&(0<e.length&&(e+=fc),e+=f)}return e}\nfunction FJ(a,b,c){a.cc&&(null!=b&&0<b.length?(c?XH(a.t,"DROP"):XH(a.t,Ef),!a.dc&&(a.dc=new OF(a)),GJ(a.dc,b)):(bG(a,"ERROR - empty or null structure"),yH(a)))}function vI(a,b,c){try{dI(a,b,c)||a.of(a.Tc.e)}catch(d){if(d=Yq(d),J(d,99))a.of(a.Tc.e);else throw d;}}\nfunction fI(a,b,c){var d;try{var e;a:{var f,g,h,j,l,m,r,o,s,z,u,F;g=l=0;s=new FE(b,"|>",!0);j=-1<b.indexOf(jd);r=1;m=yE(s);f=0<a.bc;if(!((a.pc||a.Qb)&&a.r||a.Xb)||j)a.bc=0,f=!1;for(h=1;h<=m;++h)if(o=CE(s),Hx(o),!K(o,ll))if(K(o,jd))++r,2==r?l=a.bc:3==r&&(g=a.bc+1);else{a.zb=new HJ(a,o);if(0==a.zb.o){bG(a,"ERROR - problems in reading/processing molecule !");a.of(a.Tc.e);XD();e=!1;break a}++a.bc;a.q=a.bc;a.Kb[a.bc]=a.zb}2==r?(bG(a,"ERROR - strange reaction - fixing !"),a.of(a.Tc.e),XD(),e=!1):3<r?(bG(a,\n"ERROR - strange reaction 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c;a.w=a.u;c=0;if(233==a.k.o||237==a.k.o||236==a.k.o||239==a.k.o||251==a.k.o||252==a.k.o)HI(a,a.u,0),a.u=a.o,a.n=!0,HI(a,a.u,0),a.n=!1,a.u=a.o-1,HI(a,a.u,0),a.u=a.o-2,HI(a,a.u,0),237==a.k.o&&(CI(a,a.o,10),CI(a,a.o-1,10),CI(a,a.o-2,10)),236==a.k.o&&(CI(a,a.o,9),CI(a,a.o-1,9),CI(a,a.o-2,9)),239==a.k.o&&(CI(a,a.o,5),CI(a,a.o-1,5),CI(a,a.o-2,5),CI(a,a.o-3,8),a.c[a.p].c=2,a.c[a.p-1].c=2),252==a.k.o&&(CI(a,a.o,5),CI(a,a.o-1,5),CI(a,a.o-2,4),CI(a,a.o-3,8),a.c[a.p].c=2,a.c[a.p-1].c=2),\n251==a.k.o&&(CI(a,a.o,5),CI(a,a.o-1,5),CI(a,a.o-2,5),CI(a,a.o-3,7),a.c[a.p].c=2),c=4;else if(244==a.k.o)HI(a,a.u,0),CI(a,a.o,4),a.u=a.o,HI(a,a.u,0),CI(a,a.o,8),a.u=a.o,a.n=!0,HI(a,a.u,0),a.n=!1,a.u=a.o-1,HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,a.u=a.o-2,HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,c=5;else if(234==a.k.o)HI(a,a.u,0),CI(a,a.o,4),a.u=a.o,a.k.gc&&AI(a,a.u,1),HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,a.u=a.o-1,HI(a,a.u,0),CI(a,a.o,5),a.k.gc?(a.c[a.p].c=1,AI(a,a.o,-1)):a.c[a.p].c=2,c=3;else if(235==a.k.o)HI(a,\na.u,0),a.u=a.o,HI(a,a.u,0),CI(a,a.o,5),a.u=a.o-1,HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,c=3;else if(240==a.k.o)HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),CI(a,a.o,5),a.u=a.o,HI(a,a.u,0),a.u=a.o-2,HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,c=4;else if(260==a.k.o)HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),CI(a,a.o,4),a.u=a.o-1,HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,c=3;else if(261==a.k.o)HI(a,a.u,0),CI(a,a.o,4),a.u=a.o,HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),CI(a,a.o,5),a.c[a.p].c=2,c=3;else if(241==a.k.o)HI(a,a.u,0),CI(a,a.o,5),a.u=a.o,\nHI(a,a.u,0),a.u=a.o,HI(a,a.u,0),a.u=a.o-1,HI(a,a.u,0),a.c[a.p].c=2,CI(a,a.o,5),c=4;else if(243==a.k.o)HI(a,a.u,0),CI(a,a.o,4),a.u=a.o,HI(a,a.u,0),a.u=a.o-1,HI(a,a.u,0),c=3;else if(238==a.k.o)HI(a,a.u,0),a.u=a.o,a.n=!0,HI(a,a.u,0),a.c[a.p].c=3,a.n=!1,c=2;else if(249==a.k.o)HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),a.c[a.p].c=2,CI(a,a.o,5),c=2;else if(250==a.k.o)HI(a,a.u,0),a.c[a.p].c=2,CI(a,a.o,5),c=1;else if(245==a.k.o)HI(a,a.u,0),a.u=a.o,a.n=!0,HI(a,a.u,0),a.u=a.o,a.c[a.p].c=3,HI(a,a.u,0),a.n=!1,c=3;else if(242==\na.k.o)HI(a,a.u,0),a.u=a.o,a.n=!0,HI(a,a.u,0),a.c[a.p].c=3,CI(a,a.o,4),a.n=!1,c=2;else if(254==a.k.o)HI(a,a.u,0),CI(a,a.o,9),c=1;else if(255==a.k.o)HI(a,a.u,0),CI(a,a.o,10),c=1;else if(256==a.k.o)HI(a,a.u,0),CI(a,a.o,11),c=1;else if(257==a.k.o)HI(a,a.u,0),CI(a,a.o,12),c=1;else if(258==a.k.o)HI(a,a.u,0),CI(a,a.o,4),c=1;else if(259==a.k.o)HI(a,a.u,0),CI(a,a.o,5),c=1;else if(246==a.k.o)HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),c=2;else if(247==a.k.o)HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),c=3;else if(248==\na.k.o)HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),a.u=a.o,HI(a,a.u,0),c=4;else if(253==a.k.o){var d,e,f,g,h,j,l,m;if(!a.k.Jc||0==a.k.Jc.o)c=0;else{c=0;m=a.k.Jc;for(e=1;e<=m.o;++e)if(1==LI(m.b[e])){c=e;break}g=a.o;h=a.u;e=new sN;f=tN(e,a,h,1);d=null;f&&(d=new sN,tN(d,a,h,-1));l=new sN;tN(l,m,c,0);var r;r=a.o;for(j=1;j<=m.o;++j)VI(a,m.b[j]),CI(a,a.o,m.b[j].a);for(j=1;j<=m.p;++j)eJ(a,null),EM(a.c[a.p],m.c[j]),a.c[a.p].i=m.c[j].i+r,a.c[a.p].j=m.c[j].j+r;xJ(a);eG(a.b[g+c]);uN(l,a,g+1,a.o,h,e);\nif(f&&(f=vN(a,g+1,a.o),0<f)){for(j=1;j<=m.o;++j)WI(a,g+j,m.b[j].r,m.b[j].s);uN(l,a,g+1,a.o,h,d);d=vN(a,g+1,a.o);if(!(d<=f)){for(j=1;j<=m.o;++j)WI(a,g+j,m.b[j].r,m.b[j].s);uN(l,a,g+1,a.o,h,e)}}eJ(a,null);a.c[a.p].i=h;a.c[a.p].j=c+g;xJ(a);b&&(zF(a,h),mG(a));c=m.o}}wN(a,c);a.u=a.w;b&&(a.u=0)}\nfunction rN(a,b,c,d){var e,f,g,h,j;e=a.b[b].q[1];f=a.b[b].q[2];g=a.b[f].r-a.b[e].r;h=-(a.b[f].s-a.b[e].s);j=Math.sqrt(g*g+h*h);0.001>j&&(j=0.001);1>oH((a.b[b].s-a.b[e].s)*(g/j)+(a.b[b].r-a.b[e].r)*(h/j))?(g=a.b[b].r-a.b[e].r,h=a.b[b].s-a.b[e].s,j=Math.sqrt(g*g+h*h),0.001>j&&(j=0.001),b=h/j,g/=j,d[0]=a.b[e].r+j*g-c*b,d[1]=a.b[e].s+c*g+j*b):(g=(a.b[e].r+a.b[f].r)/2,e=(a.b[e].s+a.b[f].s)/2,g=a.b[b].r-g,h=a.b[b].s-e,j=Math.sqrt(g*g+h*h),0.001>j&&(j=0.001),d[0]=a.b[b].r+c*g/j,d[1]=a.b[b].s+c*h/j)}\nfunction GI(a){var b,c,d,e,f,g,h,j,l,m,r,o,s,z;m=-1;j=6;switch(a.k.o){case 206:j=3;break;case 207:j=4;break;case 208:case 221:case 223:j=5;break;case 210:case 209:j=6;break;case 211:j=7;break;case 212:j=8;break;case 229:j=9}f=6.283185307179586/j;l=DL(312.5/(1-Math.cos(f)));if(0<a.u)if(2>a.b[a.u].k)xN(a,j,f,l);else if(!a.k.Mb&&!a.k.Gc)m=a.u,HI(a,a.u,0),a.u=a.o,xN(a,j,f,l);else{a.k.Gc=!1;if(209==a.k.o||221==a.k.o||223==a.k.o){bG(a.k,"ERROR - cannot add aromatic spiro ring !");a.k.nb=9;return}for(d=\n1;d<=a.b[a.u].k;++d)if(b=a.c[iJ(a,a.u,a.b[a.u].q[d])].c,2<d||1!=b){bG(a.k,"ERROR - spiro ring not possible here !");a.k.nb=9;return}b=hH(2);rN(a,a.u,l,b);e=a.b[a.u].r-b[0];g=a.b[a.u].s-b[1];r=Math.sqrt(e*e+g*g);0.001>r&&(r=0.001);g/=r;e/=r;for(d=1;d<=j;++d)h=VI(a,null),o=f*d+1.5707963267948966,ZI(h,b[0]+l*(Math.sin(o)*e-Math.cos(o)*g),b[1]+l*(Math.cos(o)*e+Math.sin(o)*g))}else if(0<a.v){b=a.c[a.v].i;c=a.c[a.v].j;d=0;2==a.b[b].k?a.b[b].q[1]!=c?d=a.b[b].q[1]:d=a.b[b].q[2]:2==a.b[c].k&&(a.b[c].q[1]!=\nb?d=a.b[c].q[1]:d=a.b[c].q[2],r=b,b=c,c=r);0==d&&(a.b[b].q[1]!=c?d=a.b[b].q[1]:d=a.b[b].q[2]);e=a.b[c].r-a.b[b].r;g=a.b[c].s-a.b[b].s;r=Math.sqrt(e*e+g*g);0.001>r&&(r=0.001);g/=r;e/=r;h=r/2;o=l*Math.sin(0.5*(3.141592653589793-f));r=1;0<(a.b[d].s-a.b[b].s)*e-(a.b[d].r-a.b[b].r)*g&&(o=-o,r=0);s=a.b[b].r+h*e-o*g;z=a.b[b].s+o*e+h*g;for(d=1;d<=j;++d)h=VI(a,null),o=f*(d+0.5)+3.141592653589793*r,ZI(h,s+l*(Math.sin(o)*e-Math.cos(o)*g),z+l*(Math.cos(o)*e+Math.sin(o)*g)),1==r?(d==j&&ZI(h,a.b[b].r,a.b[b].s),\nd==j-1&&ZI(h,a.b[c].r,a.b[c].s)):(d==j-1&&ZI(h,a.b[b].r,a.b[b].s),d==j&&ZI(h,a.b[c].r,a.b[c].s))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)h=VI(a,null),o=f*(d-b),ZI(h,a.y+l*Math.sin(o),a.z+l*Math.cos(o))}b=j;l=0;for(f=1;f<=b;++f)eJ(a,null),l=a.o-b+f,a.b[l].k=2,a.c[a.p].i=l,a.c[a.p].j=l+1;a.c[a.p].j=a.o-b+1;if(209==a.k.o){if(a.c[a.p-4].c=2,a.c[a.p-2].c=2,a.c[a.p].c=2,0<a.v)if(1==a.c[a.v].c){if(b=0,1<a.b[a.c[a.v].i].k&&(b=a.b[a.c[a.v].i].q[1],l=a.c[a.v].i,b==a.c[a.v].j&&(b=a.b[a.c[a.v].i].q[2])),0==b&&\n1<a.b[a.c[a.v].j].k&&(b=a.b[a.c[a.v].j].q[1],l=a.c[a.v].j,b==a.c[a.v].j&&(b=a.b[a.c[a.v].j].q[2])),0<b)for(f=1;f<=a.p;++f)if(a.c[f].i==b&&a.c[f].j==l||a.c[f].i==l&&a.c[f].j==b){1!=a.c[f].c&&(a.c[a.p-4].c=1,a.c[a.p-2].c=1,a.c[a.p].c=1,a.c[a.p-5].c=2,a.c[a.p-3].c=2,a.c[a.p-1].c=3);break}}else a.c[a.p-4].c=1,a.c[a.p-2].c=1,a.c[a.p].c=1,a.c[a.p-5].c=2,a.c[a.p-3].c=2,a.c[a.p-1].c=2}else if(221==a.k.o||223==a.k.o)if(0<a.v){if(1==a.c[a.v].c){b=!1;for(f=1;f<=a.b[a.c[a.v].i].k;++f)if(l=a.b[a.c[a.v].i].q[f],\n1<a.c[iJ(a,a.c[a.v].i,l)].c){b=!0;break}for(f=1;f<=a.b[a.c[a.v].j].k;++f)if(l=a.b[a.c[a.v].j].q[f],1<a.c[iJ(a,a.c[a.v].j,l)].c){b=!0;break}b||(a.c[a.v].c=2)}a.c[a.p-4].c=2;CI(a,a.o-2,5)}else 0<a.u?221==a.k.o?(a.c[a.p-4].c=1,a.c[a.p-2].c=1,a.c[a.p-1].c=1,a.c[a.p-3].c=2,a.c[a.p].c=2,CI(a,a.o-1,5)):(a.c[a.p-3].c=1,a.c[a.p-2].c=1,a.c[a.p].c=1,a.c[a.p-4].c=2,a.c[a.p-1].c=2,CI(a,a.o-2,5)):(a.c[a.p-3].c=1,a.c[a.p-2].c=1,a.c[a.p].c=1,a.c[a.p-4].c=2,a.c[a.p-1].c=2,CI(a,a.o-2,5));l=hH(a.o+1);for(f=1;f<=j;++f)b=\na.o-j+f,c=a.p-j+f,a.b[b].q[1]=b-1,a.b[b].q[2]=b+1,kJ(a.c[c],a.b);a.b[a.o-j+1].q[1]=a.o;a.b[a.o].q[2]=a.o-j+1;for(f=a.o-j+1;f<=a.o;++f){l[f]=0;c=51;g=0;for(b=1;b<=a.o-j;++b)e=a.b[f].r-a.b[b].r,d=a.b[f].s-a.b[b].s,e=e*e+d*d,50>e&&e<c&&(c=e,g=b);0<g&&(0==a.u||g==a.u)&&(l[f]=g)}g=a.p-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.c[f].i,e=a.c[f].j,0<l[b]&&0<l[e]){for(c=1;c<=g;++c)if(a.c[c].i==l[b]&&a.c[c].j==l[e]||a.c[c].j==l[b]&&a.c[c].i==l[e])continue a;hJ(a,l[b],l[e],a.c[f].c)}else 0<l[b]?hJ(a,l[b],e,a.c[f].c):\n0<l[e]&&hJ(a,l[e],b,a.c[f].c);d=a.o-j;for(f=a.o;f>d;--f)if(0<l[f]&&(zF(a,f),3==a.b[l[f]].a)){r=0;for(b=1;b<=a.b[l[f]].k;++b){e=a.b[l[f]].q[b];for(c=1;c<=a.p;++c)(a.c[c].i==l[f]&&a.c[c].j==e||a.c[c].i==e&&a.c[c].j==l[f])&&(r+=a.c[c].c)}if(4<r)for(c=g+1;c<=g+j;++c)a.c[c].c=1}0<a.u&&wN(a,j);-1<m&&(a.u=m)}\nfunction xN(a,b,c,d){var e,f,g,h,j,l,m;0==a.b[a.u].k?(e=0,f=1):(e=a.b[a.u].q[1],f=a.b[a.u].r-a.b[e].r,e=a.b[a.u].s-a.b[e].s,g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);l=a.b[a.u].r+d*f;m=a.b[a.u].s+d*e;for(g=1;g<=b;++g)h=VI(a,null),j=c*g-1.5707963267948966,ZI(h,l+d*(Math.sin(j)*f-Math.cos(j)*e),m+d*(Math.cos(j)*f+Math.sin(j)*e))}\nfunction qN(a,b,c,d){var e;e=DL(Math.pow(a.b[b].r-a.b[c].r,2)+Math.pow(a.b[b].s-a.b[c].s,2));b=DL(Math.pow(a.b[b].r-a.b[d].r,2)+Math.pow(a.b[b].s-a.b[d].s,2));a=DL(Math.pow(a.b[c].r-a.b[d].r,2)+Math.pow(a.b[c].s-a.b[d].s,2));return Math.acos((e*e+b*b-a*a)/(2*e*b))}function wN(a,b){var c,d;0==b&&(b=a.o);for(c=a.o;c>a.o-b;--c)d=$I(a,c,1,a.o),0!=d&&yM(a.b[c],6,6)}function iJ(a,b,c){var d,e,f;for(e=1;e<=a.p;++e)if(d=a.c[e],f=d.i,d=d.j,f==b&&d==c||f==c&&d==b)return e;return 0}\nfunction jG(a){var b,c,d,e,f,g;if(0==a.o)return null;b=new TD;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.o;++c)a.b[c].r<f&&(f=a.b[c].r),a.b[c].r>d&&(d=a.b[c].r),a.b[c].s<g&&(g=a.b[c].s),a.b[c].s>e&&(e=a.b[c].s);b.d=f;b.e=g;b.c=25<d-f?d-f:25;b.b=25<e-g?e-g:25;return b}function OH(a){var b;for(b=1;b<=a.p;++b)if(1==a.c[b].c&&0<a.c[b].f)return!0;return!1}\nfunction wJ(a,b,c){var d,e,f,g;e=ol;for(f=g=0;;){++g;for(d=1;d<=a.o;++d)if(Wv(c[d])){e=c[d];break}for(d=1;d<=a.o;++d)Wv(c[d])&&!Lv(c[d],e)&&(e=c[d]);for(d=1;d<=a.o;++d)Qv(c[d],e)&&(b[d]=g,c[d]=ol,++f);if(f==a.o)break}return g==a.o}function mG(a){var b,c,d;0!=a.o&&(d=c=0,a.k&&(b=lG(a.k,a.k.Q,a.k.yb),c=b.c,d=b.b),0>=c||0>=d?a.r=!0:(b=jG(a),c=c/2-(b.d+b.c/2),b=d/2-(b.e+b.b/2),a.k.Zb||nG(a,c,b)))}\nfunction AI(a,b,c){var d,e,f;if(1==c)return a.b[b].o+=1,!0;if(-1==c)return a.b[b].o+=-1,!0;e=a.b[b].o;f=a.b[b].j;d=a.b[b].p;-1==d&&0==c&&(0==a.b[b].o?a.b[b].o=1:1==a.b[b].o?a.b[b].o=-1:-1==a.b[b].o&&(a.b[b].o=0));switch(a.b[b].a){case 1:0==d&&(0==a.b[b].o?a.b[b].o=1:1==a.b[b].o?a.b[b].o=-1:a.b[b].o=0);break;case 2:2<d&&bG(a.k,"Charge change not possible on this boron !");0==a.b[b].o?a.b[b].o=1:1==a.b[b].o&&(a.b[b].o=0);break;case 3:3<d?bG(a.k,"Charge change not possible on this carbon !"):4>d&&(0==\na.b[b].o?a.b[b].o=-1:-1==a.b[b].o?a.b[b].o=1:1==a.b[b].o&&(a.b[b].o=0));break;case 4:case 7:3<d?bG(a.k,"Charge change not possible on multibonded N or P !"):3==d&&0==a.b[b].o?a.b[b].o=1:3==d&&1==a.b[b].o?a.b[b].o=0:3>d&&0==a.b[b].o?a.b[b].o=1:3>d&&1==a.b[b].o?a.b[b].o=-1:3>d&&-1==a.b[b].o&&(a.b[b].o=0);break;case 5:case 8:case 13:2<d?bG(a.k,"Charge change not possible on multibonded "+(gF(),nF)[a.b[b].a]+" !"):2==d&&0==a.b[b].o?a.b[b].o=1:2==d&&1==a.b[b].o?a.b[b].o=0:2>d&&0==a.b[b].o?a.b[b].o=-1:\n2>d&&-1==a.b[b].o?a.b[b].o=1:2>d&&1==a.b[b].o&&(a.b[b].o=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.b[b].o?a.b[b].o=-1:0==d&&-1==a.b[b].o?a.b[b].o=0:bG(a.k,"Charge change not possible on the halogen !");break;case 32:bG(a.k,"Use X button to change charge on the X atom !")}if(0<uF(a.b[b].a)){var c=a.b[b],g,h,j,l;g=!1;h=uF(c.a);0<h&&(h-=d,0<h&&(l=c.o,j=c.j,l+j<h?l+=h-j:l+j==h&&(l==h?(l=0,j=h):(j=l=0,0==d&&bG(a.k,"Metallic "+(gF(),nF)[c.a]))),g=c.o!=l||c.j!=j,c.o=l,c.j=j));g||bG(a.k,"Charge change not possible on "+\n(gF(),nF)[a.b[b].a])}return e!=a.b[b].o||f!=a.b[b].j}function $I(a,b,c,d){var e,f,g,h;g=51;for(h=0;c<=d;++c)b!=c&&(e=a.b[b].r-a.b[c].r,f=a.b[b].s-a.b[c].s,e=e*e+f*f,50>e&&e<g&&(g=e,h=c));return h}function CF(a){yJ(a);sJ(a)}\nfunction sJ(a){var b,c,d,e,f;for(f=1;f<=a.p;++f){d=a.c[f];b=d.i;c=d.j;e=d.c;if(1==a.b[b].o&&-1==a.b[c].o||-1==a.b[b].o&&1==a.b[c].o)if(1==e||2==e){if(3!=a.b[b].a&&3!=a.b[c].a&&a.k.gc)continue;if(1==a.b[b].a||1==a.b[c].a)continue;if(2==a.b[b].a||2==a.b[c].a)continue;if(9==a.b[b].a||10==a.b[b].a||11==a.b[b].a||12==a.b[b].a||9==a.b[c].a||10==a.b[c].a||11==a.b[c].a||12==a.b[c].a)continue;a.b[b].o=0;a.b[c].o=0;++e;d.c=e;yJ(a)}1==a.b[b].o&&1==a.b[c].o&&(2==e?e=1:3==e&&(e=2),d.c=e,yJ(a));4==e&&(e=1);d.c=\ne}}function pN(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function xJ(a){yN(a);zN(a);yJ(a)}\nfunction sH(a,b){var c,d,e,f,g,h;h=0;for(c=1;c<=a.o;++c)a.b[c].n=0;for(e=1;e<=a.p;++e)a.c[e].e=0;a:for(;;){g=!1;for(c=1;c<=a.o;++c)if(d=a.b[c],0==d.n){d.n=++h;g=!0;break}if(!g)break a;for(;g;){g=!1;for(e=1;e<=a.p;++e)e!=b&&(f=a.c[e],0<f.e||(c=a.b[f.i],d=a.b[f.j],c.n!=d.n?(f.e=c.n=d.n=h,g=!0):f.e=c.n))}}return h}function vN(a,b,c){var d,e;e=0;for(d=1;d<=a.o;++d)d>=b&&d<=c||0!=$I(a,d,b,c)&&++e;return e}\nfunction hJ(a,b,c,d){var e;e=eJ(a,null);fJ(a.b[b],c);fJ(a.b[c],b);e.i=b;e.j=c;kJ(e,a.b);e.c=d;return e}function VI(a,b){++a.o;b?a.b[a.o]=wM(b):a.b[a.o]=new gJ;return a.b[a.o]}function nH(a,b,c,d,e,f){var g;g=a.b[b].r-c/2;f||(g-=d-c);a=a.b[b].s-~~(e/2);return new VD(g-1-2,a-2,d+1+4,e+4)}function eJ(a,b){var c;++a.p;c=new DM;b&&EM(c,b);return a.c[a.p]=c}\nfunction UG(a,b,c){var d,e,f,g,h,c=KI(a,b,c,!1);h=-1.7976931348623157E308;g=1.7976931348623157E308;for(b=1;b<=a.o;++b)a.b[b].s>h&&(h=a.b[b].s),a.b[b].r<g&&(g=a.b[b].r);for(b=1;b<=a.o;++b)d=a.b[b],c+=MI(0.055999999999999994*(a.b[b].r-g),10,4)+MI(0.055999999999999994*(h-a.b[b].s),10,4)+MI(0,10,4),e=mH(a,b),1==e.length?e+=ka:2==e.length?e+=ha:3<e.length&&(e="Q  "),c+=ha+e,e=0,0<a.b[b].o&&4>a.b[b].o?e=4-a.b[b].o:0>a.b[b].o&&-4<a.b[b].o&&(e=4-a.b[b].o),f=0,0!=d.e&&(d=vJ(mH(a,b),a.b[b].e),-3<=d&&4>=d&&\n(f=d)),d=NI(a,b),e=II(f,2)+II(e,3)+la+II(d,3)+"  0  0  0  0  0",f=rJ(a,b),e+=II(f,3),c+=e+oa+(gF(),fa);for(b=1;b<=a.p;++b)c+=OI(a.c[b],!1)+(gF(),fa);for(b=1;b<=a.o;++b)0!=a.b[b].o&&(c+="M  CHG  1"+II(b,4)+II(a.b[b].o,4)+(gF(),fa)),0!=a.b[b].e&&(c+="M  ISO  1"+II(b,4)+II(a.b[b].e,4)+(gF(),fa));return c+=df+(gF(),fa)}\nfunction zF(a,b){var c,d,e,f,g,h,j;g=j=0;for(h=1;h<=a.p;++h)e=a.c[h],c=e.i,d=e.j,c!=b&&d!=b?(++j,f=a.c[j],EM(f,e),f.i=c,c>b&&--f.i,f.j=d,d>b&&--f.j):g+=e.c;a.p=j;for(h=b;h<a.o;++h)a.b[h]=a.b[h+1];--a.o;if(0!=a.o)for(h=1;h<=a.o;++h){d=0;for(j=1;j<=a.b[h].k;++j)c=a.b[h].q[j],c==b?a.b[h].j+=g:(c>b&&--c,a.b[h].q[++d]=c);a.b[h].k=d}}\nfunction BF(a,b){var c,d,e,f;c=a.c[b].i;d=a.c[b].j;for(e=b;e<a.p;++e)a.c[e]=a.c[e+1];--a.p;f=0;for(e=1;e<=a.b[c].k;++e)a.b[c].q[e]!=d&&(a.b[c].q[++f]=a.b[c].q[e]);a.b[c].k=f;f=0;for(e=1;e<=a.b[d].k;++e)a.b[d].q[e]!=c&&(a.b[d].q[++f]=a.b[d].q[e]);a.b[d].k=f;c<d&&(f=c,c=d,d=f);0==a.b[c].k&&zF(a,c);0==a.b[d].k&&zF(a,d)}\nfunction fG(a){var b,c,d;c=!1;yN(a);d=a.o;a:for(;1<=d;--d)if(b=a.b[d].q[1],!(a.k&&a.k.sc&&3!=a.b[b].a)&&1==a.b[d].a&&1==a.b[d].k&&0==a.b[d].o&&1!=a.b[b].a&&32>a.b[b].a&&0==a.b[d].e){if(0!=(-99199!=a.b[d].i?a.b[d].i:0))continue a;b=iJ(a,d,b);if(1==a.c[b].c&&(0==a.c[b].f||!a.k.Ic))zF(a,d),c=!0}return c}function AN(a,b){var c,d,e,f,g;g=y(B,v,-1,[0,0]);for(e=1,f=0;e<=a.b[b].k;++e)c=a.b[b].q[e],d=iJ(a,b,c),2!=a.c[d].c&&(g[f++]=c);return g}\nfunction yN(a){var b,c,d;for(d=1;d<=a.o;++d)a.b[d].k=0;for(d=1;d<=a.p;++d)b=a.c[d].i,c=a.c[d].j,fJ(a.b[b],c),fJ(a.b[c],b)}\nfunction uJ(a,b,c){var d,e,f,g,h,j,l,m,r;a.d=hH(a.p+1);r=[];for(j=1;j<=a.o;++j){r[j]=!1;b[j]=!1;a:{d=void 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b,c,d;if(0==a.o)return 0;d=-999999;for(b=1;b<=a.o;++b)c=LI(a.b[b]),c>d&&(d=c);return d}\nfunction mH(a,b){var c;c=(gF(),nF)[a.b[b].a];32==a.b[b].a&&(c=a.b[b].f);return c}function NI(a,b){var c,d;d=0;c=a.b[b];0<c.j&&0!=uF(c.a)&&(d=c.j+c.k);return d}function jJ(a,b){a.b[b].k+=-1}function KI(a,b,c,d){var e,f;f=d?0:a.f.a&&OH(a)?1:0;e=b;79<b.length&&(e=b.substr(0,76)+oc);e+=(gF(),fa);c?e+="JME 2017-11-16 "+new jM+"\\n\\n":e+="JME\\n\\n";e+=II(d?0:a.o,3)+II(d?0:a.p,3);return e+=oa+II(f,3)+"  0  0  0  0  0999 "+(d?og:ng)+fa}\nfunction OI(a,b){var c,d,e,f,g;e=a.c;c=a.i;d=a.j;f=0;if(1==e||0==e){switch(a.f){case 1:case 3:f=1;break;case 2:case 4:f=6;break;case 5:case 6:f=4}switch(a.f){case 3:case 4:case 6:g=c,c=d,d=g}}2==e&&10==a.f&&(f=3);if(b)switch(f){case 6:f=3;break;case 4:case 3:f=2}0==e&&(e=8);b?(c=e+ha+c+ha+d,0!=f&&(c+=" CFG="+f)):c=II(c,3)+II(d,3)+II(e,3)+II(f,3)+pa;return c}\nfunction iH(a,b,c){var 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a.f!=b?(a.f=b,!0):!1}\nfunction EJ(a,b,c,d,e){c=iJ(a,b,c);b=a.c[c];5!=a.d[c]&&2==b.c?aq(d.a,id):3==b.c?aq(d.a,Ia):9==b.c?(a=qd,e=b.d,null!=e&&(a=e),aq(d.a,a)):0==b.c?aq(d.a,ml):1==e[c]?aq(d.a,pc):-1==e[c]&&aq(d.a,tg)}function DF(a){var b,c,d;b=sH(a,0);d=D(nI,q,123,b,0);for(c=1;c<=b;++c)d[c-1]=new BN(a.k,a,c);return d}function GH(a,b,c,d){a=c-a;b=d-b;return a*a+b*b}\nfunction UI(a,b){var c,d,e;e=a.c[b];if(1==e.c||0==e.c)if(c=a.c[b].i,d=a.c[b].j,2>a.b[c].k&&2>a.b[d].k)e.f=0,bG(a.k,"Stereomarking meaningless on this bond !");else switch(e.f){case 0:a.b[d].k<=a.b[c].k?e.f=1:e.f=3;break;case 1:e.f=2;break;case 2:e.f=5;break;case 5:2<a.b[d].k?e.f=3:e.f=1;break;case 3:e.f=4;break;case 4:e.f=6;break;case 6:2<a.b[c].k?e.f=1:e.f=3}else 2==e.c?2==e.c&&(e.f=10-e.f):bG(a.k,"Stereomarking allowed only on single and double bonds!")}\nfunction zJ(a,b,c,d,e){var f,g,h,j,l,m,r,o,s;if(!(2!=a.c[b].c||5==a.d[b]||0<e[b]&&7>=e[b]))if((10==a.c[b].f||a.k.C)&&10!=a.c[b].f)if(e=a.c[b].i,b=a.c[b].j,!xM(a.b[e])||!xM(a.b[b])){f=null;xM(a.b[e])?f=BJ(a,b):xM(a.b[b])&&(f=BJ(a,e));if(null!=f)if(1==(f[0]-1)%2)e=f[1],b=f[f[0]];else return;f=y(B,v,-1,[e,b]);for(m=0,j=f.length;m<j;++m)if(h=f[m],h=a.b[h].k,2>h||3<h)return;c[e]>c[b]&&(j=e,e=b,b=j);j=AN(a,e);h=j[0];l=j[1];f=0;m=!1;0<l&&c[h]>c[l]&&(j=h,h=l,l=j);j=iJ(a,e,h);0!=d[j]?f=h:1==a.c[j].c&&5!=a.d[j]&&\n(f=h);0==f&&0<l&&(j=iJ(a,e,l),0!=d[j]?f=l:1==a.c[j].c&&5!=a.d[j]&&(f=l));c[f]>c[e]&&(m=!0);j=AN(a,b);l=j[0];g=j[1];h=0;0<g&&c[l]<c[g]&&(j=l,l=g,g=j);j=iJ(a,b,l);1==a.c[j].c&&5!=a.d[j]&&0==d[j]&&(h=l);0==h&&0<g&&(j=iJ(a,b,g),1==a.c[j].c&&5!=a.d[j]&&(h=g));if(!(0==f||0==h))if(l=a.b[b].r-a.b[e].r,j=a.b[b].s-a.b[e].s,g=Math.sqrt(l*l+j*j),0.001>g&&(g=0.001),j/=g,g=l/g,l=(a.b[f].s-a.b[e].s)*g-(a.b[f].r-a.b[e].r)*j,s=(a.b[h].s-a.b[e].s)*g-(a.b[h].r-a.b[e].r)*j,2>(0>=l?0-l:l)||2>(0>=s?0-s:s))bG(a.k,"Not unique E/Z 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