1 files changed, 1 insertions, 0 deletions

diff --git a/public/jsme/C8A71BD2E1367E9BB43A1B9C25871BEE.cache.js b/public/jsme/C8A71BD2E1367E9BB43A1B9C25871BEE.cache.js
new file mode 100644
index 0000000..a50fe46
--- /dev/null
+++ b/public/jsme/C8A71BD2E1367E9BB43A1B9C25871BEE.cache.js
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a,b;for(a=1;42>=a;++a)0<CG(a)?tG[a]=(nD(),sD):(tG[a]=(nD(),xD),vG[a]=Wf);vG[1]=We;tG[1]=(nD(),sD);vG[2]=he;tG[2]=\nxD;vG[3]=pe;tG[3]=sD;vG[4]=vf;tG[4]=CD;vG[5]=Af;tG[5]=wD;vG[9]=Pe;tG[9]=zD;vG[10]=Be;tG[10]=zD;vG[11]=oe;tG[11]=zD;vG[12]=Ye;tG[12]=zD;vG[8]=Jf;tG[8]=ED(yD);vG[7]=Bf;tG[7]=xD;vG[6]=Nf;tG[6]=sD;vG[13]=Lf;tG[13]=sD;vG[32]=Wf;tG[32]=sD;vG[14]=df;vG[16]=ef;vG[15]=xf;vG[17]=If;vG[18]=Fe;vG[19]=Re;vG[20]=Qd;vG[21]=uf;vG[22]=re;vG[24]=Of;vG[23]=ie;vG[25]=Xf;vG[26]=yf;vG[27]=Je;vG[28]=ye;vG[29]=Yd;vG[30]=Te;vG[31]=fe;for(a=33;42>=a;++a)b=Gf,33<a&&(b+=a-33),vG[a]=b,tG[a]=sD}\nfunction DG(a){var b;if(a.dc)b=EG(a,1)+Fd+EG(a,2)+Fd+EG(a,3);else if(b=EG(a,0),0<b.length){var c=new FG(a.ob);Qm(a.qb.a,c)}return b}function GG(a){var b,c,d;d=!1;if(0<a.ob.v||0<a.ob.w)if(d=!0,0<a.ob.v?(HG(a.ob,a.ob.v),IG(a,"delAtom",a.ob.v),a.ob.v=0):(JG(a.ob,a.ob.w),IG(a,"delBond",a.ob.v),a.ob.w=0),KG(a.ob),b=LG(a.ob),1<b.length)for(c=0;c<b.length;++c)0==c?(a.zb[a.o]=b[0],a.ob=a.zb[a.o]):a.zb[++a.Sb]=b[c];return d}\nfunction MG(a,b){var c,d,e,f;NG(a,!1);c=b.a;if(H(c,xc))Pu(DG(a));else if(H(c,Fc))Pu(ru(a,!0,!1));else if(H(c,Pc))Pu(ru(a,!0,!0));else if(H(c,Zc))a.Tb&&(c=a.r,null==c.i&&(c.i="PASTE"),Qu(a.E,(!a.Ub&&(a.Ub=new Ru(a)),a.Ub)));else if(H(c,Qc))a.fg(3);else if(H(c,Rc))a.fg(4);else if(H(c,Tc))a.fg(5);else if(H(c,Uc))Aq(6,new OG(a));else if(H(c,Vc))a.og();else if(H(c,Yc))Aq(1,new PG(a));else if(H(c,Gj))7!=a.cb&&(a.db=Qk),d=b.c,d=ox(d,Pk),c=fx(d,a.db),e=!cx(c,Qk)?Yw(c):c,!cx(e,Wk)&&QG(a.ob,P(c)),a.Ib=!0,a.cb=\n7,a.db=d;else if(c==Qf||c==Mf){if(e=RG(a.ob,(SG(),c==Mf?TG:UG)))a.ob.f.a?Ou(a,"Chiral flag is set"):Ou(a,"No Chiral flag"),VG(a,"changeChiral",a.o,0,0),a.Ib=!0}else if(c==ge){f=WG(a);e=!1;for(c=1;c<=a.ob.p;++c)d=a.ob.b[c],-99199==d.f&&(++f,d.f=f,e=!0);e&&(a.Ib=!0,VG(a,"changeManyAtomMap",a.o,0,0))}else if(c==Le){c=a.ob;e=!1;for(d=1;d<=c.p;++d)e=XG(c.b[d])||e;(a.Ib=e)&&VG(a,"deleteAtomMaps",a.o,0,0)}else c==Me?(a.Ib=YG(a.ob),a.Ib&&VG(a,"deleteHydrogens",a.o,0,0)):H(c,Nj)||(H(c,Ah)?a.hc=!0:ZG(a,c));\n(a.Ib||a.Gb)&&a.ff(a.Ec.d)}\nfunction $G(a,b,c,d,e){var f,g,h,j,l,n,o,r;if(!a.Ob&&(j=c-b+1,!(0>=j||b>a.Sb||c>a.Sb))){l=D(aH,Yl,-1,99,1);h=o=n=0;for(g=b;g<=c;++g)f=bH(a.zb[g]),n+=f.c,o+=f.d,f.d>h&&(h=f.d),l[g]=f.c,2==d&&(l[g]=f.d);a.J&&(n+=25*(j+1),o+=25*(j+1),h+=25);j=g=1;a.J?r=cH(a):r=dH(a);f=Fw(r.b);r=Fw(r.a);1==d||3==d?f=~~((f-48)/2):2==d&&(r=~~(r/2));n>=f&&(g=f/n);h>=r&&(j=r/h);h=0;a.J&&(a.xb=g<j?g:j,a.mg("alignMolecules Depict: molecularAreaScale="+a.xb+" xsize="+f+" ysize="+r+fa),h=25*f/n,2==d&&(h=25*r/o));for(g=b;g<=c;++g)2==\nd?l[g]=l[g]*r/o:l[g]=l[g]*f/n;n=-f/2;o=0;1==d?n=-f-24:3==d?n=24:2==d&&(n=0,o=-r);for(g=b;g<=c;++g){a.J&&eH(a.zb[g]);2==d?o+=l[g]/2+h:n+=l[g]/2+h;if(!e)for(b=1;b<=a.zb[g].p;++b)fH(a.zb[g].b[b],n/a.xb,o/a.xb);2==d?o+=l[g]/2:n+=l[g]/2;a.J||gH(a.zb[g])}}}function hH(a,b){var c;a.k=202;a.Mb=!1;Ou(a,m);if(0!=a.Sb){a.Ib=!0;a.q=!0;for(c=a.o;c<a.Sb;++c)a.zb[c]=a.zb[c+1];--a.Sb;a.o=a.Sb;0<a.Sb?a.ob=a.zb[a.o]:(a.ob=new iH(a),a.ob.o=0);b&&(!!a.r&&jH(fq(a.r,"clear"),0,0,0),a.hc=!0)}}\nfunction kH(a){a.Sb=0;a.o=0;a.ob=new iH(a);a.ob.o=0;a.sb=null;a.Ib=!0}\nfunction lH(a,b){var c,d,e,f,g;g=new kE;e=Kf;d="MOL";f="MOL or SDF";SG();a:{for(c=1;c<=a.Sb;++c)if(0<a.zb[c].p){c=(SG(),SG(),TG);break a}c=(SG(),SG(),UG)}c=c.a?UG:TG;b&&(e="SMIRKS",f=d=Hf);a.Ac&&(f+=" or "+e,!b&&a.zc&&(f+=" or OCL ID code"));e=new dE(Ee+e);e.c=xc;iE(g,e);cE(e,!c.a);gD(e.d,a);e=new dE(Ee+d);e.c=Fc;gD(e.d,a);iE(g,e);b||(e=new dE(Ee+d+" 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e,f,g,h,j,l,n;f=100*d+c;j=(c-1)*(a.mb+(a.Lb?1:0));g=(d-1)*(a.mb+(a.Lb?1:0));1==c&&2<d&&(g-=2*a.mb);pH(b,qG);a.Lb?(f==a.k&&pH(b,ED(qG)),qH(b,j,g,a.mb,a.mb),pH(b,(nD(),sD)),rH(b,j,g,a.mb-1,a.mb-1)):f==a.k?sH(b,j+1,g+1,a.mb,a.mb,!1):sH(b,j,g,a.mb,a.mb,!0);if(!(1301==f&&!a.cc||107==f&&!a.ac))if(201!=f||a.tc)if(103!=f||a.Fb)if(!(105==f&&!a.Rb&&!a.A)&&(109!=f||a.dc))if(c=a.mb/4,3>d)switch(pH(b,(nD(),uD)),f){case 101:pH(b,yD);tH(b,j+3,g+3,a.mb-6,a.mb-6);pH(b,uD);e=g+3;h=a.mb-6;c=\na.mb-6;d=b.a;f=P(J(Q((j+3)*R)));e=P(J(Q(e*R)));h=P(J(Q(h*R)));c=P(J(Q(c*R)));d.n&&(uH(d,!1),vH(d,wH(d,f,e,h,c)));xH(b,j+6,g+6,a.mb-12,a.mb-12);yH(b.a,P(J(Q((j+9)*(zH(),R)))),P(J(Q((g+9)*R))),P(J(Q(2*R))),P(J(Q(4*R))));qH(b,j+a.mb-10,g+9,2,4);0.04>Math.random()&&(pH(b,wD),yH(b.a,P(J(Q((j+10)*R))),P(J(Q((g+18)*R))),P(J(Q(4*R))),P(J(Q(4*R)))));0.96<Math.random()&&(pH(b,yD),qH(b,j+a.mb-10,g+8,2,3));break;case 112:f=j+c;e=j+a.mb-c;h=j+a.mb/2;AH(b,f,g+a.mb-c,h,g+a.mb/2);AH(b,j+a.mb/2,g+a.mb/2,e,g+a.mb-\nc);l=g+a.mb-c;d=a.mb/24;BH(b.a,P(J(Q((h-d)*(zH(),R)))),P(J(Q(l*R))),P(J(Q((h-2*d)*R))),P(J(Q(l*R))));BH(b.a,P(J(Q((h+d)*R))),P(J(Q(l*R))),P(J(Q((h+2*d)*R))),P(J(Q(l*R))));pH(b,zD);AH(b,f,g+c,h,g+a.mb/2);AH(b,j+a.mb/2,g+a.mb/2,e,g+c);l=g+c;BH(b.a,P(J(Q((h-d)*R))),P(J(Q(l*R))),P(J(Q((h-2*d)*R))),P(J(Q(l*R))));BH(b.a,P(J(Q((h+d)*R))),P(J(Q(l*R))),P(J(Q((h+2*d)*R))),P(J(Q(l*R))));pH(b,uD);break;case 107:pH(b,xD);qH(b,j+4,g+4,a.mb-8,a.mb-8);pH(b,uD);rH(b,j+4,g+4,a.mb-8,a.mb-8);xH(b,j+6,g+6,a.mb-11,a.mb-\n12);yH(b.a,P(J(Q((j+9)*(zH(),R)))),P(J(Q((g+9)*R))),P(J(Q(2*R))),P(J(Q(4*R))));qH(b,j+a.mb-10,g+9,2,4);break;case 108:d=a.mb/4;AH(b,j+d,g+a.mb-d,j+a.mb-d,g+d);d=a.mb/2-d;f=g+2*a.mb/3;j+=a.mb/2;c=j+d;BH(b.a,P(J(Q(j*(zH(),R)))),P(J(Q(f*R))),P(J(Q(c*R))),P(J(Q(f*R))));g+=a.mb/3;a=j-d;BH(b.a,P(J(Q(a*R))),P(J(Q(g*R))),P(J(Q(j*R))),P(J(Q(g*R))));j=(a+j)/2;g-=d/2;a=g+d;BH(b.a,P(J(Q(j*R))),P(J(Q(g*R))),P(J(Q(j*R))),P(J(Q(a*R))));break;case 113:a.lc&&(d=c/2,f=a.mb-2*c-2*d,c=j+d+c,e=g+(c-j),pH(b,BD),CH(b.a,\nP(J(Q(c*(zH(),R)))),P(J(Q(e*R))),P(J(Q(f*R))),P(J(Q(f*R)))),pH(b,tD),h=j+a.mb/2,a=g+a.mb/2,l=c+f,n=g+d,g=n+d,BH(b.a,P(J(Q(c*R))),P(J(Q(g*R))),P(J(Q(h*R))),P(J(Q(n*R)))),BH(b.a,P(J(Q(h*R))),P(J(Q(n*R))),P(J(Q(l*R))),P(J(Q(g*R)))),g=e+f+d,n=g+d,BH(b.a,P(J(Q(c*R))),P(J(Q(g*R))),P(J(Q(h*R))),P(J(Q(n*R)))),BH(b.a,P(J(Q(h*R))),P(J(Q(n*R))),P(J(Q(l*R))),P(J(Q(g*R)))),j+=d,l=j+d,g=e+f,BH(b.a,P(J(Q(l*R))),P(J(Q(e*R))),P(J(Q(j*R))),P(J(Q(a*R)))),BH(b.a,P(J(Q(j*R))),P(J(Q(a*R))),P(J(Q(l*R))),P(J(Q(g*R)))),j=\nc+f+d,l=j+d,BH(b.a,P(J(Q(j*R))),P(J(Q(e*R))),P(J(Q(l*R))),P(J(Q(a*R)))),BH(b.a,P(J(Q(l*R))),P(J(Q(a*R))),P(J(Q(j*R))),P(J(Q(g*R)))));break;case 110:DH(b,j,g,a.mb,!0);break;case 111:DH(b,j,g,a.mb,!1);break;case 214:d=a.Z;f=3+j;c=f+d/2;e=f+d;h=g+3;l=h+d;pH(b,BD);EH(b,z(aH,Yl,-1,[f,c,e]),z(aH,Yl,-1,[h,l,h]),3);f=c;l=h+d/2;h=l+d;EH(b,z(aH,Yl,-1,[f,c+d/2,f+d]),z(aH,Yl,-1,[h,l,h]),3);a.R=new gE(Fw(j),Fw(g));break;case 109:AH(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);AH(b,j+a.mb-c,g+a.mb/2,j+a.mb-3*c/2,g+a.mb/2+\nc/2);AH(b,j+a.mb-c,g+a.mb/2,j+a.mb-3*c/2,g+a.mb/2-c/2);break;case 102:pH(b,pD);qH(b,j+3,g+5,a.mb-7,a.mb-11);pH(b,uD);rH(b,j+3,g+5,a.mb-7,a.mb-11);break;case 103:pH(b,qG);a.Mb&&sH(b,j+1,g+1,a.mb,a.mb,!1);pH(b,uD);FH(a,b,j,g,"NEW");break;case 106:pH(b,wD);AH(b,j+7,g+7,j+a.mb-7,g+a.mb-7);AH(b,j+8,g+7,j+a.mb-6,g+a.mb-7);AH(b,j+7,g+a.mb-7,j+a.mb-7,g+7);AH(b,j+8,g+a.mb-7,j+a.mb-6,g+7);pH(b,uD);AH(b,j+c,g+a.mb/2,j+12,g+a.mb/2);FH(a,b,j+6,g,Gf);break;case 104:pH(b,wD);AH(b,j+7,g+7,j+a.mb-7,g+a.mb-7);AH(b,\nj+8,g+7,j+a.mb-6,g+a.mb-7);AH(b,j+7,g+a.mb-7,j+a.mb-7,g+7);AH(b,j+8,g+a.mb-7,j+a.mb-6,g+7);pH(b,uD);break;case 105:a.sc?(pH(b,AD),tH(b,j+3,g+3,a.mb-6,a.mb-6),pH(b,uD)):FH(a,b,j,g,"123");break;case 114:pH(b,CD);d=a.mb-8;f=j+(a.mb-d)/2;c=g+(a.mb-d)/2;yH(b.a,P(J(Q(f*(zH(),R)))),P(J(Q(c*R))),P(J(Q(d*R))),P(J(Q(d*R))));pH(b,uD);GH(a,b,j,g,pD,ei);break;case 201:AH(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2+2);AH(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2-2);AH(b,j+a.mb-c,g+a.mb/2+2,j+a.mb-c,g+a.mb/2-2);break;case 202:AH(b,\nj+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);break;case 203:AH(b,j+c,g+a.mb/2-2,j+a.mb-c,g+a.mb/2-2);AH(b,j+c,g+a.mb/2+2,j+a.mb-c,g+a.mb/2+2);break;case 204:AH(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);AH(b,j+c,g+a.mb/2-3,j+a.mb-c,g+a.mb/2-3);AH(b,j+c,g+a.mb/2+3,j+a.mb-c,g+a.mb/2+3);break;case 205:BH(b.a,P(J(Q((j+c/2)*(zH(),R)))),P(J(Q((g+2*c+c/3)*R))),P(J(Q((j+3*(c/2))*R))),P(J(Q((g+2*c-c/3)*R))));BH(b.a,P(J(Q((j+3*(c/2))*R))),P(J(Q((g+2*c-c/3)*R))),P(J(Q((j+5*(c/2))*R))),P(J(Q((g+2*c+c/3)*R))));BH(b.a,P(J(Q((j+5*(c/\n2))*R))),P(J(Q((g+2*c+c/3)*R))),P(J(Q((j+7*(c/2))*R))),P(J(Q((g+2*c-c/3)*R))));break;case 206:HH(a,b,j,g+2,3);break;case 207:HH(a,b,j,g,4);break;case 208:HH(a,b,j,g,5);break;case 209:HH(a,b,j,g,1);break;case 210:HH(a,b,j,g,6);break;case 211:HH(a,b,j,g,7);break;case 212:HH(a,b,j,g,8);break;case 213:FH(a,b,j,g,"FG"),a.T=new gE(Fw(j),Fw(g))}else d=IH(a,f),GH(a,b,j,g,tG[d],vG[d])}\nfunction JH(a,b,c){var d,e,f;d=0;b=P(J(Q(b/a.nb)));c=P(J(Q(c/a.nb)));if(b<a.mb+(a.Lb?1:0)||c<2*a.mb+(a.Lb?1:0)){f=0;for(e=1;14>=e;++e)if(b<e*(a.mb+(a.Lb?1:0))){f=e;break}b=0;for(e=1;e<=KH+2;++e)if(c<e*(a.mb+(a.Lb?1:0))){b=e;break}0<f&&0<b&&(d=100*b+f)}109==d&&(a.dc||(d=0));return d}function LH(a){var b;b=9;a.cc&&++b;a.Bc&&++b;return b}\nfunction MH(a,b,c,d,e){var f;f=3*e;e*=a.Z;a.J&&(f=0);f=c-f-e;c=f+e;a.J?(a=d,e=d-e,d=(e+d)/2):(d/=2,a=d+e/2,e=d-e/2);pH(b,(nD(),BD));EH(b,z(aH,Yl,-1,[f,c,f]),z(aH,Yl,-1,[e,d,a]),3)}\nfunction NH(a){var b,c,d,e,f;a.mg("drawMolecularArea  mustReDrawMolecularArea="+a.Ib+fa);if(a.Ib){if(a.r&&null!=a.r.a&&a.r.a!=Dk&&a.r.a!=Bj)for(b=1;b<=a.Sb;++b)KG(a.zb[b]);e=OH(a.vb,a.xb);c=a.yb;b=a.ub;a.mg("drawMolecularArea  "+c+" : "+b+" scale: "+a.xb+fa);pH(e,a.D);c/=a.xb;b/=a.xb;yH(e.a,P(J(Q(0*(zH(),R)))),P(J(Q(0*R))),P(J(Q(c*R))),P(J(Q(b*R))));d=a.tb?(nE(),qE):(nE(),sE);f=(nE(),oE);var g=e.a;if(f==(nE(),oE))d==qE?g.b=m:g.b=Xj;d=new kD(a.wb);e.d=new kD(R*d.e);PH(e.a,e.d);for(d=1;d<=a.Sb;++d){f=\na.zb[d];var g=e,h=void 0,j=void 0,l=void 0,n=void 0,o=void 0,r=void 0,t=n=n=void 0,y=j=t=void 0,v=y=n=void 0,s=o=v=r=h=v=void 0,A=void 0,F=void 0,M=o=void 0,N=l=o=v=t=h=j=v=j=s=t=h=F=y=h=void 0,l=M=r=M=s=r=t=n=N=l=n=t=t=void 0,y=h=1;g.c=f.k.D;f.k.L&&(pH(g,(nD(),uD)),rH(g,0,0,f.k.M.b-1,f.k.M.a-1));if(0!=f.p){f.y&&(A=g,n=f.y,A.b=n,A.f=A.a.e,QH(A.a,n));f.s&&(eH(f),$G(f.k,1,f.k.Sb,0,!1),f.s=!1);RH(f.k,f.k.x);if(-1==f.i){for(A=1;A<=f.p;++A)n=f.b[A].c,0<n&&7>n&&(pH(g,(oG(),wG)[n]),tH(g,f.b[A].q-12,f.b[A].r-\n12,24,24));for(A=1;A<=f.q;++A)l=f.c[A].i,o=f.c[A].j,0!=f.b[l].c&&f.b[l].c==f.b[o].c&&(pH(g,(oG(),wG)[f.b[l].c]),v=f.b[o].q-f.b[l].q,h=f.b[o].r-f.b[l].r,y=Math.sqrt(v*v+h*h),1>y&&(y=1),h/=y,y=v/y,v=9*h,t=9*y,n=SH(4),r=SH(4),n[0]=f.b[l].q+v,r[0]=f.b[l].r-t,n[1]=f.b[o].q+v,r[1]=f.b[o].r-t,n[2]=f.b[o].q-v,r[2]=f.b[o].r+t,n[3]=f.b[l].q-v,r[3]=f.b[l].r+t,EH(g,n,r,4))}for(A=1;A<=f.q;++A){pH(g,(nD(),tD));t=f.c[A];l=t.i;o=t.j;1==f.i&&0!=f.b[l].c&&f.b[l].c==f.b[o].c&&pH(g,(oG(),wG)[f.b[l].c]);if(3==t.f||4==\nt.f)n=l,l=o,o=n;n=f.b[l].q;r=f.b[l].r;N=f.b[o].q;M=f.b[o].r;if(1!=t.c||0!=t.f)v=N-n,h=M-r,y=Math.sqrt(v*v+h*h),1>y&&(y=1),h/=y,y=v/y;switch(t.c){case 2:10<=t.f&&pH(g,zD);v=2*h;t=2*y;BH(g.a,P(J(Q((n+v)*(zH(),R)))),P(J(Q((r-t)*R))),P(J(Q((N+v)*R))),P(J(Q((M-t)*R))));BH(g.a,P(J(Q((n-v)*R))),P(J(Q((r+t)*R))),P(J(Q((N-v)*R))),P(J(Q((M+t)*R))));pH(g,uD);break;case 3:BH(g.a,P(J(Q(n*(zH(),R)))),P(J(Q(r*R))),P(J(Q(N*R))),P(J(Q(M*R))));l=3*h;o=3*y;BH(g.a,P(J(Q((n+l)*R))),P(J(Q((r-o)*R))),P(J(Q((N+l)*R))),P(J(Q((M-\no)*R))));BH(g.a,P(J(Q((n-l)*R))),P(J(Q((r+o)*R))),P(J(Q((N-l)*R))),P(J(Q((M+o)*R))));break;case 9:case 0:for(o=0;10>o;++o)l=n-(n-N)/10*o,s=r-(r-M)/10*o,BH(g.a,P(J(Q(l*(zH(),R)))),P(J(Q(s*R))),P(J(Q(l*R))),P(J(Q(s*R))));TH(g,f.k.v);o=UH(f.k.w);t=t.d;l=Gd;null!=t&&(l=t);t=uE(f.k.w,l);t=(n+N)/2-t/2;M=(r+M)/2+~~(o/2)-1;pH(g,zD);VH(g.a,l,P(J(Q(t*(zH(),R)))),P(J(Q(M*R))));pH(g,uD);break;default:if(1==t.f||3==t.f)v=3*h,t=3*y,s=SH(3),j=SH(3),s[0]=N+v,j[0]=M-t,s[1]=n,j[1]=r,s[2]=N-v,j[2]=M+t,EH(g,s,j,3);else if(2==\nt.f||4==t.f){v=3*h;t=3*y;for(o=0;10>o;++o)l=n-(n-N)/10*o,s=r-(r-M)/10*o,j=o/10,BH(g.a,P(J(Q((l+v*j)*(zH(),R)))),P(J(Q((s-t*j)*R))),P(J(Q((l-v*j)*R))),P(J(Q((s+t*j)*R))))}else BH(g.a,P(J(Q(n*(zH(),R)))),P(J(Q(r*R))),P(J(Q(N*R))),P(J(Q(M*R))))}}y=SH(f.p+1);h=SH(f.p+1);for(A=1;A<=f.q;++A)l=f.c[A].i,o=f.c[A].j,n=f.b[l].q,r=f.b[o].q,++h[l],++h[o],y[l]=y[l]/h[l]+r/h[l],y[o]=y[o]/h[o]+n/h[o];TH(g,f.k.v);o=UH(f.k.w);N=SH(f.p+1);r=SH(f.p+1);n=D(WH,q,122,f.p+1,0);for(A=1;A<=f.p;++A)l=XH(f,A),(null==l||1>l.length)&&\n(l=lb),j=f.b[A],3==f.b[A].a&&0<f.b[A].j&&0==f.b[A].n&&0==j.d&&!(4<=j.o&&2==j.j)?(N[A]=r[A]=uE(f.k.w,l),n[A]=YH(f,A,N[A],N[A],o,!1)):(M=y[A]<f.b[A].q,v=!0,1<h[A]&&8.333333333333334>ZH(y[A]-f.b[A].q)&&(v=!1),2<h[A]&&(v=!1),1==h[A]&&2.5>ZH(y[A]-f.b[A].q)&&(M=!0),t=l,s=m,f.k.oc&&(F=f.b[A].i,0<F&&(s+=We,1<F&&(s+=F))),F=m,0!=j.d&&(F=Yf+j.d+eg),j=m,0!=f.b[A].n&&(1<$H(f.b[A].n)&&(j+=$H(f.b[A].n)),0<f.b[A].n?j+=mb:j+=ub),M||!v?l=F+l+s+j+m:l=j+s+m+F+l,v||(t=l),t=uE(f.k.w,t),v=uE(f.k.w,l),N[A]=t,r[A]=v,v=n[A]=\nYH(f,A,t,v,o,M),t=v.c+2+1,M=v.d+o+2,pH(g,g.c),-1==f.i&&0!=f.b[A].c&&pH(g,(oG(),wG)[f.b[A].c]),qH(g,v.c,v.d,v.b,v.a),1==f.i?0!=f.b[A].c?pH(g,(oG(),wG)[f.b[A].c]):pH(g,(nD(),uD)):pH(g,(oG(),tG)[f.b[A].a]),VH(g.a,l,P(J(Q(t*(zH(),R)))),P(J(Q(M*R)))));for(A=1;A<=f.p;++A)h=f.b[A],-99199!=h.f&&(t=N[A],v=r[A],t=f.b[A].q-t/2,M=f.b[A].r+~~(o/2)-1,pH(g,(nD(),zD)),aI(g,ha+(-99199!=h.f?h.f:0),t+v,M));if(0<f.v||0<f.w)if(pH(g,104==f.k.k?(nD(),wD):(nD(),CD)),0<f.v&&106!=f.k.k&&(v=n[f.v],rH(g,v.c,v.d,v.b,v.a)),0<\nf.w&&(l=f.c[f.w].i,o=f.c[f.w].j,v=f.b[o].q-f.b[l].q,h=f.b[o].r-f.b[l].r,y=Math.sqrt(v*v+h*h),1>y&&(y=1),h/=y,y=v/y,v=4*h,t=4*y,s=SH(5),j=SH(5),s[0]=f.b[l].q+v,s[1]=f.b[o].q+v,j[0]=f.b[l].r-t,j[1]=f.b[o].r-t,s[3]=f.b[l].q-v,s[2]=f.b[o].q-v,j[3]=f.b[l].r+t,j[2]=f.b[o].r+t,s[4]=s[0],j[4]=j[0],106!=f.k.k&&bI(g,s,j,5),106==f.k.k&&cI(f,f.c[f.w].i,f.c[f.w].j))){h=0;for(A=1;A<=f.p;++A)0<f.a[A]&&++h;if(h>~~(f.p/2))for(A=1;A<=f.p;++A)0<f.a[A]?f.a[A]=0:f.a[A]=1;pH(g,(nD(),wD));for(A=1;A<=f.p;++A)0<f.a[A]&&(v=\nn[A],rH(g,v.c,v.d,v.b,v.a))}f.y&&(g.b=null,QH(g.a,g.f))}}a.dc&&(d=(c-48)/2,pH(e,(nD(),zD)),BH(e.a,P(J(Q(d*R))),P(J(Q(b/2*R))),P(J(Q((d+48)*R))),P(J(Q(b/2*R)))),BH(e.a,P(J(Q((d+48)*R))),P(J(Q(b/2*R))),P(J(Q((d+48-6)*R))),P(J(Q((b/2+6)*R)))),BH(e.a,P(J(Q((d+48)*R))),P(J(Q(b/2*R))),P(J(Q((d+48-6)*R))),P(J(Q((b/2-6)*R)))));a.J&&(a.hb=new YD(Xe,0,13),a.kb=kC(a.hb),null!=a.sb&&(d=uE(a.kb,a.sb),d=(c-d)/2,f=b-13,pH(e,(nD(),uD)),TH(e,a.hb),aI(e,a.sb,d,f)));a.J&&a.nc&&MH(a,e,c,b,0.6/a.xb);b=P(J(Q(dI(a,a.nb))));\nc=P(J(Q(eI(a,a.nb))));fI(a.Ec,a.vb.a,b,c);a.Ib=!1;if(a.hc){YE();c=new gI;c.a=a.o;c.f=a.Sb;b=!1;for(e=1;99>e;++e)if(d=a.zb[e])0<d.p&&(b=!0),c.d[e]=new FG(d);else break;c.i=a.dc;c.e=a.Fb;c.b=a.xb;c.c=a.cb;e=a.pb;b=new hI(b?c:null);c=e.a.c;e.a.c=b;b.b=e.a;c&&(b.c=c,c.b=b);e.a=b;a.hc=!1}a.r&&null!=a.r.a&&(null!=a.Qb&&LF(a.Qb,null),a.r&&null!=a.r.a&&a.ig(),iI(a.r),a.Mb&&(a.Mb=!1,a.Kb=!0,a.ff(a.Ec.d)))}}function jI(a){a.Ib=!0;a.vb?(NH(a),a.Ib=!1):$F(a)}\nfunction HH(a,b,c,d,e){var f,g,h,j,l;f=a.mb/4;g=!1;j=D(aH,Yl,-1,9,1);l=D(aH,Yl,-1,9,1);c+=a.mb/2;d+=a.mb/2;f=a.mb/2-f/2;1==e&&(e=6,g=!0);for(a=0;a<=e;++a)h=6.283185307179586/e*(a-0.5),j[a]=c+f*Math.sin(h),l[a]=d+f*Math.cos(h);bI(b,j,l,e+1);if(g){for(a=0;a<=e;++a)h=6.283185307179586/e*(a-0.5),j[a]=c+(f-3)*Math.sin(h),l[a]=d+(f-3)*Math.cos(h);AH(b,j[0],l[0],j[1],l[1]);AH(b,j[2],l[2],j[3],l[3]);AH(b,j[4],l[4],j[5],l[5])}}\nfunction DH(a,b,c,d,e){var f,g,h,j,l,n,o,r;l=d/4;c-=1;n=2+l/2;g=2+l;r=c+10*d/24;j=r+l;o=b+d;e?(h=2+b,f=n+b,g+=b):(f=o-n,h=o-2,g=o-g);BH(a.a,P(J(Q(h*(zH(),R)))),P(J(Q(r*R))),P(J(Q(f*R))),P(J(Q(j*R))));BH(a.a,P(J(Q(g*R))),P(J(Q(r*R))),P(J(Q(f*R))),P(J(Q(j*R))));h=l/3-0.5;BH(a.a,P(J(Q(f*R))),P(J(Q((r+h)*R))),P(J(Q(f*R))),P(J(Q(j*R))));f=d-n-4;c=c+n-h;d=d-4-h-1;j=270;e?(b+=n,e=270):(b=o-f-n,j*=-1,e=-90);kI(a.a,P(J(Q(b*R))),P(J(Q(c*R))),P(J(Q(f*R))),P(J(Q(d*R))),P(J(Math.round(e))),P(J(Math.round(j))))}\nfunction WG(a){var b,c,d;b=-99999;for(d=1;d<=a.Sb;++d)c=a.zb[d],c=lI(c),c>b&&(b=c);return b}\nfunction mI(a,b,c,d){var e=xG?350:170,f,g,h,j;nI(d);b=oI(a,b);c=oI(a,c);h=e;for(g=1;g<=a.Sb;++g){j=new pI(e);f=a.zb[g];for(var l=b,n=c,o=j,r=void 0,t=void 0,y=void 0,v=void 0,s=r=r=r=v=r=void 0,A=void 0,F=void 0,M=t=y=r=r=void 0,N=void 0,$=void 0,s=0,F=o.a,A=1;A<=f.q;++A)r=qI(l,n,f.c[A].a,f.c[A].b),r<F&&(F=r,s=A);s*=-1;for(A=1;A<=f.p;++A)r=qI(l,n,f.b[A].q,f.b[A].r),r<F&&(F=r,s=A);if(0==s)for(A=1;A<=f.q;++A)r=f.c[A].i,v=f.c[A].j,t=f.b[r].q,y=f.b[r].r,r=f.b[v].q,v=f.b[v].r,r-=t,v-=y,N=l-t,$=n-y,y=r*\nr+v*v,t=N*N+$*$,M=qI(N,$,r,v),t+M>y+F||(r=N*r+$*v,0>r||(y=Math.sqrt(y),t=Math.sqrt(t),r/=y*t,1<=r||(r=1.5707963267948966-Math.acos(r),r=t*Math.cos(r),r*=r,r<F&&(s=-A,F=r))));o.a=F;f=s;j.a<h&&(h=j.a,nI(d),d.c=g,0<f?d.a=f:d.b=-f)}}function cH(a){var b;(0>=a.yb||0>=a.ub)&&(!a.M&&(a.M=XC(a)),rI(a,a.M));b=new sI;b.b=a.yb;b.a=a.ub;return b}function dH(a){var b;b=cH(a);b.b/=a.xb;b.a/=a.xb;return b}\nfunction OH(a,b){var c=a.b.a;vH(c,"<g "+(\'transform="scale(\'+b/R+\')"\')+Fd);c=c.u;c[c.length]=pd;return a.b}\nfunction tI(a,b,c,d){var e,f;if(!b||uI(b)){if((e=0<a.ob.v||0<a.ob.w)&&(104==a.k||106==a.k))return!0;if(e&&!a.J){a.xc&&(f=a.xc,f.k==a&&(f.k=null,$m(a.Uc,f)));f=a.ob;var g,b=new kE;e=a.Rb||a.A||a.dc;f.f.a?g=new dE(Qf):g=new dE(Mf);cE(g,vI(f));iE(b,g);gD(g.d,a);if(e&&0<f.v){g=new dE(Ae);gD(g.d,a.Y);var h=a.Y;h.d=null;h.e=h.a=0;a.Y.a=f.v;a.Y.d=f;a.Y.e=a.o;iE(b,g)}g=new dE(Me);a:{for(h=f.p;1<=h;--h)if(1==f.b[h].a){h=!0;break a}h=!1}cE(g,h);iE(b,g);gD(g.d,a);e&&(e=new dE(ge),gD(e.d,a),iE(b,e),e=new dE(Le),\ngD(e.d,a),iE(b,e),cE(e,0<lI(f)));a.xc=b;gC(a,a.xc);wI(a.xc.a,a,c,d)}else a.dc?f=(a.G=lH(a,!0),a.G):f=(a.F=lH(a,!1),a.F),uI(b)||(c=Fw(c*a.nb+0.5),d=Fw(d*a.nb+0.5)),wI(f.a,a,c,d);d=new Nu(null,0,xI(0));yI(a,d,0,0);return!0}return!1}\nfunction zI(a,b){var c;if(0==a.ob.p)return!1;c=null;switch(b){case 102:1<a.Sb?c="Delete selected molecule (red)":c="Clear canvas";var d=(nD(),vD);a.ob.y=d;a.yc=a.ob;break;case 109:c="Copy selected (blue) molecule to the other side of the reaction",d=(nD(),BD),a.ob.y=d,a.yc=a.ob}null!=c?(Ou(a,c),a.Ib=!0,a.Kb=!0):(a.Ib=!1,a.Kb=!1);return null!=c}\nfunction AI(a,b){var c;if(a.yc&&(102==b||a.dc&&109==b)){a.yc.y=null;a.yc=null;for(c=1;c<=a.Sb;++c)a.zb[c].y=null;Ou(a,m);a.Ib=!0;a.Kb=!0}else a.Ib=!1,a.Kb=!1;return a.Ib}\nfunction BI(a,b,c,d){var e,f,b=new CI(b);e=null;f=!1;YF(a.r,Od);Ou(a,m);if(b.f==(DI(),EI)&&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==(FI(),GI)&&b.i!=(HI(),II)?JI(a,b.b,d)||(e="Invalid V2000 molfile"):b.a==KI?LI(a,b.b,d)||(e="Invalid JME string"):b.a==MI?e="Reading "+b.f+ma:a.Ac&&(f=!0,Aq(1,new NI(a,b,c,d)));f||(a.Ib=null==e,c?null==e?OI(c):PI(c,new Mp(e)):null!=e&&(Ou(a,Oe+e),a.ff(a.Ec.d)))}\nfunction JI(a,b,c){var d,e,f,g,h,j;Ou(a,m);if(0==b.indexOf(Qa)){a.Sb=0;a.dc=!0;a.Fb=!0;d=QI(b);h=new FF(b,d,!0);b=m;for(e=1;5>=e;++e)b=RI(h,d);e=xI(mF(Ry(b.substr(0,3)),10)).a;g=xI(mF(Ry(b.substr(3,3)),10)).a;RI(h,d);for(b=1;b<=e+g;++b){for(f=m;!(j=RI(h,d),null==j||H(j,"$MOL"));)f+=j+d;a.zb[++a.Sb]=new SI(a,f)}a.xb=1;$G(a,1,e,1,!1);$G(a,e+1,e+g,3,!1);d="readRXNFile"}else{(a.J||a.Vb)&&(a.dc=!1);a.ob=new SI(a,b);if(!a.ob||0==a.ob.p)return!a.ob&&(Ou(a,"ERROR - problems in reading/processing MOL input"),\na.ff(a.Ec.d)),!!a.ob;d=(a.dc||a.Fb)&&a.p||a.Mb;null!=a.t&&a.ob&&TI(a.ob,a.t,!0);null!=a.u&&a.ob&&TI(a.ob,a.u,!1);d||(a.Sb=0,a.xb=1);h=UI(a.ob);if(1>=h||a.J)a.zb[++a.Sb]=a.ob;else{a.Fb=!0;for(b=1;b<=h;++b)a.zb[++a.Sb]=new VI(a,a.ob,b)}d?a.o=a.Sb:a.o=1;a.ob=a.zb[a.o];a.J?$G(a,1,1,0,!0):$G(a,1,h,0,!d);d=zj}WI(a);null!=d&&(YF(a.r,Od),a.r&&jH(fq(a.r,d),0,0,0),a.hc=!0);a.Ib=!0;c&&a.ff(a.Ec.d);return!0}function Ou(a,b){null==b&&(b=m);a.Gb=!0;a.X=b;a.mg("info: "+b)}\nfunction RH(a,b){var c;c=Math.round(b);100>c&&(!yG[c]&&(yG[c]=new YD(Xe,0,c)),!AG[c]&&wq(AG,c,kC(yG[c])),a.v=yG[c],a.w=AG[c])}function uI(a){var b;if(!a)return!1;b=a.xf();a=0!=(a.e&2);return b||a}function dI(a,b){return(a.mb+(a.Lb?1:0))*b}function IH(a,b){var c,d;d=-1;for(c=0;c<sG.length;c+=2)if(sG[c]==b){d=sG[c+1];break}32==d&&!a.Bc&&a.cc&&(d=33);return d}\nfunction Vu(a,b){var c,d,e;if(0==b)return!1;NG(a,!1);d=!1;c=a.k;a.k=b;if(300>=b)switch(a.Kb=!0,a.Hb=!0,Ou(a,m),b){case 102:hH(a,!0);AI(a,102);zI(a,102);d=!0;break;case 110:a.Ib=!0;a.k=c;a.pb.a!=a.pb.b&&a.pb.a.b!=a.pb.b?a.q&&(++a.Sb,a.o=a.Sb,a.q=!1):Ou(a,"No more undo");if(!(a.pb.a!=a.pb.b&&a.pb.a.b!=a.pb.b))break;XI(a,YI(a.pb));a.r&&jH(fq(a.r,Dk),0,0,0);a.hc=!0;a.hc=!1;a.Ib=!0;break;case 111:a.k=c;if(a.pb.a.c)a.q&&(++a.Sb,a.o=a.Sb,a.q=!1);else{Ou(a,"No more redo");break}if(!a.pb.a.c)break;e=a.pb;\nif(!e.a.c)throw new az("Cannot redo. Index is out of range.");if(!e.a.c)throw new az(af);e.a=e.a.c;XI(a,e.a.a);a.r&&jH(fq(a.r,Bj),0,0,0);a.hc=!0;a.hc=!1;a.Ib=!0;break;case 214:tI(a,null,a.R.a,a.R.b);a.k=c;break;case 151:case 152:case 154:case 153:e=null;a.k=c;switch(b){case 152:e=ZI(a.jc);break;case 151:e=$I(a.jc);break;case 154:e=a.jc;e.a=e.c;e=ZI(e);break;case 153:e=a.jc,e.a=-1,e=$I(e)}null==e?Ou(a,"No more molecules in SDF buffer"):(kH(a),a.Vb=!0,aJ(a,e,!1),a.Vb=!1,H(a.X,m)&&(Ou(a,"MOL n. "+(a.jc.a+\n1)+" of "+a.jc.c),d=!0,a.r&&jH(fq(a.r,"SDFstack"),0,0,0),a.hc=!0,a.hc=!1));break;case 101:Aq(4,new bJ(a));a.k=c;break;case 107:Aq(2,new cJ(a));break;case 114:Aq(3,new dJ(a));a.k=c;break;case 103:a.Mb=!0;a.k=c;break;case 105:a.A&&a.Bb&&(a.Bb=!1,eJ(a.ob),a.Ib=!0,a.r&&jH(fq(a.r,Ag),0,0,0),d=a.hc=!0,a.k=c);a.I=1;break;case 109:a.k=c;e=fJ(a.ob);if(2==e){Ou(a,"Copying the agent not possible !");break}d=bH(a.ob);a.Ib=!0;a.ob=new FG(a.ob);d=Fw((a.M.b-a.mb)/2-d.a);for(e=1;e<=a.ob.p;++e)fH(a.ob.b[e],2*d/a.xb,\n0/a.xb);a.zb[++a.Sb]=a.ob;a.o=a.Sb;a.r&&jH(fq(a.r,"reactionCopy"),0,0,0);d=a.hc=!0;AI(a,109);zI(a,109);break;case 104:d=GG(a);break;case 213:a.k=c;if(!a.S){var f,g,h,j,l;l=new kE;for(f=a.U,g=0,h=f.length;g<h;++g)e=f[g],j=new dE(e),iE(l,j),j.c=e,gD(j.d,a);gC(a,l);a.S=l}f=a.T.b;e=Fw(a.T.a*a.nb+0.5);f=Fw(f*a.nb+0.5);wI(a.S.a,a,e,f);break;case 108:0<a.ob.v&&gJ(a.ob,a.ob.v,0)&&(IG(a,Vg,a.ob.v),d=!0)}else a.Hb=!0,a.Kb=!0,a.n=IH(a,b),32==a.n&&Aq(5,new hJ(a)),1301<=b&&1310>=b&&(a.n=33+(b-1301)),0<a.ob.v&&\n(a.n!=a.ob.b[a.ob.v].a&&32!=a.n?(iJ(a.ob,a.ob.v,a.n),a.ob.b[a.ob.v].n=0,a.ob.b[a.ob.v].d=0,a.ob.b[a.ob.v].i=0,IG(a,Tj+a.n,a.ob.v),d=!0):32==a.n&&(d=gr((Su(),Tu).Tc.a.pb,Fk),jJ(a.ob,a.ob.v,d),IG(a,Tj+a.n,a.ob.v),d=!0));if(!d&&(0<a.ob.v||0<a.ob.w))if(206<=a.k&&229>=a.k)a.cb=2,kJ(a.ob),d=!0,VG(a,mg,a.o,0,a.ob.w);else if(202==a.k||203==a.k||204==a.k)if(0<a.ob.v)a.cb=0,d=a.ob,lJ(d,d.v,0),VG(a,jg,a.o,0,a.ob.w),d=!0;else{d=1;e=Vj;switch(a.k){case 203:d=2;e=Uj;break;case 204:d=3,e=Wj}a.ob.c[a.ob.w].c=d;VG(a,\ne,a.o,0,a.ob.w);d=!0;a.ob.c[a.ob.w].f=0}d&&(a.Ib=!0,a.k=c);a.ff(a.Ec.d);return!0}\nfunction ru(a,b,c){var d=null,e;null==d&&(d=DG(a));e=m;if(a.dc){var f,g,h;h=zw([mJ,B],[Nl,u],[88,-1],[4,a.Sb+1],0,2,1);for(g=1;3>=g;++g){f=0;for(c=1;c<=a.Sb;++c)fJ(a.zb[c])==g&&(h[g][++f]=c);h[g][0]=f}e+=Ra;e+=nJ(h[1][0],3)+nJ(h[3][0],3)+fa;for(c=1;c<=h[1][0];++c)e+=Na+oJ(a.zb[h[1][c]],d,b);for(c=1;c<=h[3][0];++c)e+=Na+oJ(a.zb[h[3][c]],d,b)}else{1<a.Sb&&(a.ob=new pJ(a,a.zb,a.Sb));if(c){e=a.ob;var j,l,d=qJ(e,d,b,!0),d=d+("M  V30 BEGIN CTAB"+(oG(),fa)),d=d+("M  V30 COUNTS "+e.p+ha+e.q+" 0 0 "+(e.f.a&&\nvI(e)?1:0)+fa),d=d+"M  V30 BEGIN ATOM\\n";f=-1.7976931348623157E308;c=1.7976931348623157E308;for(b=1;b<=e.p;++b)e.b[b].r>f&&(f=e.b[b].r),e.b[b].q<c&&(c=e.b[b].q);for(b=1;b<=e.p;++b)d+=pf,g=XH(e,b),d+=b+ha+g,g=rJ(e.b[b]),d+=ha+sJ(0.055999999999999994*(e.b[b].q-c),0,4)+ha+sJ(0.055999999999999994*(f-e.b[b].r),0,4)+ha+sJ(0,0,4)+ha+g,0!=e.b[b].n&&(d+=" CHG="+e.b[b].n),d+=fa;d+="M  V30 END ATOM\\nM  V30 BEGIN BOND\\n";for(b=1;b<=e.q;++b)c=e.c[b],f=c.c,d+=pf+b,j=f,1==c.c?j=1:2==c.c&&(j=2),g=c.i+ha+c.j,l=0,\n1==f&&1==c.f?l=1:1==f&&2==c.f&&(l=3),1==f&&3==c.f&&(l=1,g=c.j+ha+c.i),1==f&&4==c.f&&(l=3,g=c.j+ha+c.i),d+=ha+j+ha+g,0!=l&&(d+=" CFG="+l),d+=fa;d+="M  V30 END BOND\\n";c=new Nm;g=new Nm;f=new Nm;for(b=0;10>b;++b)wq(g.b,g.c++,null),wq(f.b,f.c++,null);for(b=1;b<=e.p;++b)j=e.b[b].b,null==j||0==j.length||(H(j,hg)?Qm(c,new dD(b)):0==j.indexOf("mix")?(j=mF(Sy(j,3),10),l=null,f.c>j&&(l=(OD(j,f.c),f.b[j])),null==l?h=new Nm:h=l,Qm(h,new dD(b)),UD(f,j,h)):0==j.indexOf(ij)&&(j=mF(Sy(j,2),10),l=null,g.c>j&&(l=\n(OD(j,g.c),g.b[j])),null==l?h=new Nm:h=l,Qm(h,new dD(b)),UD(g,j,h)));d+=tJ(qf,c);if(0<g.c)for(b=1;b<g.c;++b)d+=tJ(tf+b,(OD(b,g.c),g.b[b]));if(0<f.c)for(b=1;b<f.c;++b)d+=tJ(sf+b,(OD(b,f.c),f.b[b]));e=d=d+"M  V30 END CTAB\\n"+hf}else e=oJ(a.ob,d,b);1<a.Sb&&(a.ob=a.zb[a.o])}return e}\nfunction uJ(a,b,c,d){var e;a.Ab=!1;if(tI(a,b,c,d))return a.Ab=!0,a.Db=!1,!0;e=!0;a.Cc=c-P(J(Q(dI(a,a.nb))));a.Dc=d-P(J(Q(eI(a,a.nb))));Ou(a,m);a.Bb=vJ(b);a.Db=!1;if(!a.J&&(c<P(J(Q(dI(a,a.nb))))||d<P(J(Q(eI(a,a.nb)))))){e=JH(a,c,d);if(112==e)return a.rc=!0,Ou(a,"Next ring will be added as spiro"),$F(a),a.Ab=!0;if(113==e)if(a.lc)Ou(a,"Move one atom"),$F(a);else return a.Ab=!0;if(!a.Bc&&1201==e||!a.ac&&107==e||!a.tc&&201==e||!a.Fb&&103==e||!a.Rb&&!a.A&&105==e||!a.dc&&109==e)return!1;e=Vu(a,e)}else{if(!a.J&&\nd>a.M.a-P(J(Q(a.mb*a.nb))))return!1;var b=a.Cc,f=a.Dc,g,h,j,l;l=0;if(0>b||0>f||f>a.ub||b>a.yb)b=0;else if(1==a.Sb)b=a.o;else{b=oI(a,b);f=oI(a,f);j=1.7976931348623157E308;for(h=1;h<=a.Sb;++h){g=a.zb[h];for(var n=void 0,o=void 0,r=void 0,o=1.7976931348623157E308,n=1;n<=g.p;++n)r=qI(b,f,g.b[n].q,g.b[n].r),r<o&&(o=r);g=o;g<j&&(j=g,l=h)}b=l}0<b?(a.o=b,a.ob=a.zb[b]):a.o=0;if(0<a.ob.v&&(SG(),null!=a.b[Zd]?TG:UG).a)if(wJ(a,a.o,a.ob.v,0,Zd),a.J&&!a.K)return!0;if(0<a.ob.w&&(SG(),null!=a.b[ke]?TG:UG).a)if(wJ(a,\na.o,0,a.ob.w,ke),a.J&&!a.K)return!0;a.Db=!0;c=Fw(c-a.mb);d-=P(J(Q(eI(a,a.nb))));if(0<a.ob.v)if(a.eb.c=a.o,104==a.k)GG(a);else{if(106==a.k)return!0;if(108==a.k)gJ(a.ob,a.ob.v,0)&&IG(a,Vg,a.ob.v);else if(202==a.k||203==a.k||204==a.k||201==a.k||205==a.k)a.cb=1,c=a.ob,lJ(c,c.v,0),a.ob.x=a.ob.v,205==a.k?(a.ob.r=1,a.ob.e[1]=a.ob.p,a.ob.e[0]=a.ob.v,a.ob.w=0,VG(a,jg,a.o,0,a.ob.w),a.hc=!1):VG(a,jg,a.o,0,a.ob.w);else if(206<=a.k&&229>=a.k)a.cb=2,kJ(a.ob),IG(a,lg,a.ob.v);else if(230==a.k)a.cb=3,IG(a,ng,a.ob.v);\nelse if(233<=a.k&&262>a.k)xJ(a.ob,!1),IG(a,kg,a.ob.v),a.cb=3;else if(107==a.k){if(a.bc.b)return!0;jJ(a.ob,a.ob.v,gr(a.bc.e.Tc.a.pb,Fk));a.ob.j=!0;IG(a,"addAtomQuery",a.ob.v)}else if(105==a.k)(c=yJ(a.ob))?IG(a,"markAtom",a.ob.v):IG(a,"unMarkAtom",a.ob.v);else if(113!=a.k)if(300<a.k){if(a.n!=a.ob.b[a.ob.v].a||32==a.n)iJ(a.ob,a.ob.v,a.n),a.ob.b[a.ob.v].n=0,a.ob.b[a.ob.v].d=0,a.ob.b[a.ob.v].i=0,32==a.n&&(c=gr((Su(),Tu).Tc.a.pb,Fk),1>c.length&&(c=Wf),jJ(a.ob,a.ob.v,c)),IG(a,Tj+a.n,a.ob.v)}else e=!1}else if(0<\na.ob.w)if(a.eb.c=a.o,104==a.k)GG(a);else if(106==a.k){c=a.ob;d=a.ob.w;if(0<c.a[c.c[d].i]&&0<c.a[c.c[d].j])Ou(c.k,"Removal of substituent not possible.");else for(;;){d=0;for(b=c.p;1<=b;--b)0<c.a[b]&&b>d&&(d=b);if(0==d)break;HG(c,d);c.a[d]=0}KG(a.ob);VG(a,"delBondGroup",a.o,0,a.ob.w);a.ob.w=0}else if(201==a.k)zJ(a.ob,a.ob.w),VG(a,"setBondStereo",a.o,0,a.ob.w);else if(202==a.k||205==a.k)1==a.ob.c[a.ob.w].c&&0==a.ob.c[a.ob.w].f?(a.ob.c[a.ob.w].c=2,VG(a,Uj,a.o,0,a.ob.w)):(a.ob.c[a.ob.w].c=1,a.ob.c[a.ob.w].f=\n0,VG(a,Vj,a.o,0,a.ob.w)),a.ob.c[a.ob.w].f=0;else if(203==a.k)a.ob.c[a.ob.w].c=2,a.ob.c[a.ob.w].f=0,KG(a.ob),VG(a,Uj,a.o,0,a.ob.w);else if(204==a.k)a.ob.c[a.ob.w].c=3,a.ob.c[a.ob.w].f=0,KG(a.ob),VG(a,Wj,a.o,0,a.ob.w);else if(206<=a.k&&229>=a.k)a.cb=2,kJ(a.ob),VG(a,mg,a.o,0,a.ob.w),KG(a.ob);else if(107==a.k){if(!a.bc.b)return!0;c=gr(a.bc.e.Tc.a.pb,Fk);a.ob.c[a.ob.w].c=9;a.ob.c[a.ob.w].d=c;VG(a,"setQueryBond",a.o,0,a.ob.w)}else 105==a.k?(c=a.ob,b=a.ob.w,c.k.gb=!0,c.k.sc?(c.i=-1,d=c.c[b].i,b=c.c[b].j,\nf=c.b[d].c,h=c.b[b].c,j=4,f==h&&0<f&&(j=0),c.b[d].c=j,c.b[b].c=j,c=0<j):c=!1,c?VG(a,"markBond",a.o,0,a.ob.w):VG(a,"unMarkBond",a.o,0,a.ob.w)):e=!1;else if((0==a.Sb||a.Mb)&&!a.J){if(201>=a.k)return!1;++a.Sb;a.o=a.Sb;a.zb[a.Sb]=new iH(a);a.ob=a.zb[a.Sb];a.eb.c=a.o;202<=a.k&&204>=a.k||205==a.k?(AJ(a.ob,null),a.ob.q=0,BJ(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,a.ob.x=1,a.cb=1,b=a.ob,lJ(b,b.v,0),205==a.k?(BJ(a.ob,2,(c+21.65)/a.xb,(d-12.5)/a.xb),a.ob.e[0]=1,a.ob.e[1]=2,a.ob.r=1,VG(a,"addChain",a.o,0,a.ob.w)):VG(a,\njg,a.o,0,a.ob.w)):206<=a.k&&229>=a.k?(a.ob.z=oI(a,c),a.ob.A=oI(a,d),a.cb=2,kJ(a.ob),a.r&&jH(fq(a.r,lg),0,0,0),a.hc=!0):300<a.k?(AJ(a.ob,null),iJ(a.ob,1,a.n),a.ob.q=0,BJ(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,32==a.n&&(c=gr((Su(),Tu).Tc.a.pb,Fk),1>c.length&&(c=Wf),jJ(a.ob,1,c)),IG(a,"addAtom",a.ob.v)):230==a.k?(LI(a,null,!0),a.r&&jH(fq(a.r,ng),0,0,0),a.hc=!0):233<=a.k&&262>a.k?(AJ(a.ob,null),a.ob.q=0,BJ(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,xJ(a.ob,!0),a.r&&jH(fq(a.r,kg),0,0,0),a.hc=!0):YE()}else e=!1;e&&CJ(a)}return a.Ab=\ne}\nfunction DJ(a,b,c,d){var e,f,g,h;YE();if(!a.Db||EJ(b))return!0;a.Gb=!1;c-=P(J(Q(dI(a,a.nb))));d-=P(J(Q(eI(a,a.nb))));f=oI(a,c-a.Cc);g=oI(a,d-a.Dc);e=oI(a,c);h=oI(a,d);if(2==a.cb||3==a.cb||9==a.cb)return!0;if(1==a.cb){f=!1;a.zb[a.eb.c].v=0;--a.ob.p;g=c;var b=d,j=a.Nb;0>g||0>b||b>a.ub||g>a.yb?nI(j):mI(a,g,b,j);++a.ob.p;if(0<a.Nb.c&&0<a.Nb.a&&(g=a.zb[a.Nb.c],g.v=a.Nb.a,g!=a.ob||a.Nb.a!=a.ob.x))BJ(a.ob,a.ob.p,g.b[a.Nb.a].q,g.b[a.Nb.a].r),g.v=a.Nb.a,f=!0,g=a.eb,b=a.Nb,g.c=b.c,g.a=b.a,g.b=b.b;if(!f)a:{f=a.ob;\nvar l,n,o,r;f.v=0;FJ(f.b[0],e,h);g=GJ(f,0,1,f.p);if(0<g&&205!=f.k.k)f.v=g,g!=f.x?BJ(f,f.p,f.b[g].q,f.b[g].r):BJ(f,f.p,f.z,f.A);else if(205==f.k.k){f.w=0;g=f.e[f.r];l=f.e[f.r-1];j=f.b[g].q-f.b[l].q;b=f.b[g].r-f.b[l].r;g=Math.sqrt(j*j+b*b);1>g&&(g=1);b/=g;j/=g;n=g/2/Math.tan(0.5235987755982988);o=e-f.b[l].q;r=h-f.b[l].r;l=-g/2+o*j+r*b;b=r*j-o*b;if(0>l)if(1<f.r)HG(f,f.p),IG(f.k,"deleteAtom",f.p),--f.r,f.u=!1;else if(2==f.p)0>f.b[2].r-f.b[1].r&&0<h-f.b[1].r?f.b[2].r=f.b[1].r+g/2:0<f.b[2].r-f.b[1].r&&\n0>h-f.b[1].r&&(f.b[2].r=f.b[1].r-g/2),0>f.b[2].q-f.b[1].q&&0<e-f.b[1].q?f.b[2].q=f.b[1].q+0.866*g:0<f.b[2].q-f.b[1].q&&0>e-f.b[1].q&&(f.b[2].q=f.b[1].q-0.866*g);else{if(2==f.b[f.e[0]].j&&(n=f.b[f.e[0]].p[1],n==f.e[1]&&(n=f.b[f.e[0]].p[2]),j=f.b[f.e[0]].q-f.b[n].q,b=f.b[f.e[0]].r-f.b[n].r,g=Math.sqrt(j*j+b*b),1>g&&(g=1),b/=g,j/=g,o=e-f.b[n].q,r=h-f.b[n].r,e=r*j-o*b,o=f.b[f.e[1]].q-f.b[n].q,r=f.b[f.e[1]].r-f.b[n].r,h=r*j-o*b,0<e&&0>h||0>e&&0<h))e=f.q,f.v=f.e[0],lJ(f,f.v,0),JG(f,e),0<GJ(f,f.p,1,f.p)&&\n(f.u=!0)}else{if(f.u)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*n/(1.5*g));if((0>=b?0-b:b)>e){++f.r;if(100<f.r){HJ(f.k,"You are too focused on chains, enough of it for now !");--f.r;break a}f.v=f.p;e=P(J(Math.round(b)));lJ(f,f.v,e);e=f.k;VG(e,jg,e.o,0,e.ob.w);f.k.hc=!1;f.e[f.r]=f.p;0<GJ(f,f.p,1,f.p)&&(f.u=!0)}}f.v=0;e=f.r;Ou(f.k,e+m)}else j=e-f.b[f.x].q,b=h-f.b[f.x].r,g=Math.sqrt(j*j+b*b),1>g&&(g=1),BJ(f,f.p,f.b[f.x].q+25*(j/g),f.b[f.x].r+25*(b/g))}a.B=!0}else if(113==a.k&&0<a.ob.v)a.Eb||(a.Eb=!0),BJ(a.ob,\na.ob.v,e,h);else if(vJ(b)||EJ(b))QG(a.ob,f),a.cb=5;else if(0==a.ob.v&&0==a.ob.w&&!((0>c||0>d||d>a.ub||c>a.yb)&&5!=a.cb))e=dH(a),h=a.ob,j=bH(h),b=j.a,j=j.b,0>f&&b<e.c||0<f&&b>e.b||0>g&&j<e.d||0<g&&j>e.a||IJ(h,f,g),a.cb=5;NG(a,!1);a.Ib=!0;$F(a);a.Cc=c;a.Dc=d;return!0}\nfunction yI(a,b,c,d){var e,f;if(!a.J||a.dg().a||a.eg().a||a.K)if(f=!1,e=JH(a,c,d),e!=a.Cb&&(f|=AI(a,a.Cb),f|=zI(a,e),a.Cb=e),!uI(b)){c-=P(J(Q(dI(a,a.nb))));d-=P(J(Q(eI(a,a.nb))));b=c;c=a.Nb;0>b||0>d||d>a.ub||b>a.yb?nI(c):mI(a,b,d,c);113==e&&0<a.Nb.b&&(a.Nb.b=0);if(!(a.Nb.c==a.eb.c&&a.Nb.a==a.eb.a&&a.Nb.b==a.eb.b)&&(0<a.Nb.c&&(0<a.Nb.a||0<a.Nb.b)||0<a.eb.c&&(0<a.eb.a||0<a.eb.b)))f=a.eb.c,0<f&&(a.zb[f].v=0,a.zb[f].w=0),f=a.Nb.c,0<f&&(a.zb[f].v=a.Nb.a,a.zb[f].w=a.Nb.b,f!=a.o&&(a.o=f,a.ob=a.zb[a.o])),\nf=!0,e=a.Nb.a,a.dg().a&&(e=JJ(a,e,a.$b),-1!=e&&(a.$b=e,null!=a.Pb&&LF(a.Pb,z(KJ,q,101,[new dD(a.o),new dD(e)])),a.jg(a.o,e))),e=a.Nb.b,a.eg().a&&(e=JJ(a,e,a._b),-1!=e&&(a._b=e,a.lg(a.o,e))),e=a.eb,d=a.Nb,e.c=d.c,e.a=d.a,e.b=d.b;f&&(NG(a,!1),a.Ib=!0,a.ff(a.Ec.d))}}\nfunction LJ(a){var b,c,d,e,f;d=!1;if(a.J&&!a.K)return a.vc&&(MJ(a,Xi,!0),a.e&&(a=a.e,a.b.a.apply(null,[NJ(a.a)]))),!0;a.Eb&&(a.Eb=!1,gH(a.ob),d=a.hc=!0);a.Gb=!1;a.db=Qk;if(1==a.cb){if(205==a.k)d=a.ob,d.u&&(e=GJ(d,d.p,1,d.p),6>d.b[e].j&&(OJ(d,null),b=d.e[d.r-1],d.c[d.q].i=e,d.c[d.q].j=b,PJ(d.b[e],b),PJ(d.b[e],b)),HG(d,d.p)),d.u=!1,a.hc=!0;else if(0!=a.eb.c&&a.o!=a.eb.c){HG(a.ob,a.ob.p);b=a.ob.x;c=a.eb.a+a.ob.p;e=a.zb[a.eb.c];d=new pJ(a,z(QJ,q,121,[null,a.ob,e]),2);d.b[0]=new RJ;SJ(d,b,c,1);b=D(QJ,\nq,121,a.zb.length,0);for(f=0,c=0;f<a.zb.length;++f)a.zb[f]==a.ob?b[c++]=d:a.zb[f]!=e&&(b[c++]=a.zb[f]);a.zb=b;--a.Sb;a.ob=d;nI(a.eb)}else d=a.ob,e=GJ(d,d.p,1,d.p),0!=e&&(--d.p,b=TJ(d,e,d.x),0!=b?(--d.q,UJ(d,d.x),3>d.c[b].c?(++d.c[b].c,d.c[b].f=0):Ou(d.k,"Maximum allowed bond order is 3 !")):6==d.b[e].j?(--d.q,UJ(d,d.x),Ou(d.k,"Not possible connection !")):(d.c[d.q].j=e,UJ(d,d.x),b=d.x,PJ(d.b[e],b),PJ(d.b[b],e),VJ(d.c[d.q],d.b)));gH(a.ob);a.B&&(d=a.pb,d.a!=d.b&&d.a.b!=d.b&&(e=d.a.c,YI(d),d.a.c=e),\nVG(a,jg,a.o,0,a.ob.w),a.B=!1);d=!0}else 5==a.cb&&(gH(a.ob),d=a.hc=!0);0<a.cb&&(NG(a,!1),a.Ib=!0,$F(a),a.cb=0,a.q=!1,d=!0);if(xG&&(0!=a.ob.w||0!=a.ob.v))a.ob.w=0,a.ob.v=0,NG(a,!1),a.Ib=!0,$F(a),d=!0;a.vc&&!a.Ab&&!d&&(a.J?MJ(a,Xi,!0):MJ(a,mh,!0),a.e&&(a=a.e,a.b.a.apply(null,[NJ(a.a)])),d=!0);return d}function NG(a,b){a.Hb=b;a.Kb=b;a.Ib=b;a.Gb=b;a.Jb=b}function JJ(a,b,c){if(0>=b&&0==c||b==c&&a.o==a.Zb)return-1;0>=b&&0<c&&(b=0);a.Zb=a.o;return b}\nfunction MJ(a,b,c){var d,e,b=b.toLowerCase();(e=WJ(a,b,"rbutton"))&&(a.cc=e.a);(e=WJ(a,b,"hydrogens"))&&(a.oc=e.a);-1<b.indexOf("keephs")&&(a.bb=!0,a.ec=!1);-1<b.indexOf("removehs")&&(a.bb=!1,a.ec=!1);-1<b.indexOf("removehsc")&&(a.bb=!1,a.ec=!0);(e=WJ(a,b,"query"))&&(a.ac=e.a);(e=WJ(a,b,"reaction"))&&(a.dc=e.a);(e=WJ(a,b,"autoez"))&&(a.z=e.a);(e=WJ(a,b,"stereo"))&&(a.tc=e.a);(e=WJ(a,b,"canonize"))&&(a.C=e.a);(e=WJ(a,b,Ti))&&(a.Fb=e.a);if((e=(SG(),WJ(a,b,Ag)?TG:UG)).a)a.A=e.a,a.A&&(a.Rb=!0);if((e=\nWJ(a,b,bj)?TG:UG).a)a.Rb=e.a,a.Rb||(a.A=!1);if(e=WJ(a,b,"newlook"))a.Lb=e.a,a.ng();if(e=WJ(a,b,"oldlook"))a.Lb=!e.a,a.ng();(e=WJ(a,b,"star"))&&(a.Rb=a.sc=e.a);(e=WJ(a,b,"polarnitro"))&&(a.Xb=e.a);(e=WJ(a,b,"toggle"))&&(a.vc=e.a);if(e=WJ(a,b,"depictaction"))(a.K=e.a)&&(b+=" depict");if(e=WJ(a,b,mh))if(e.a&&!a.J&&(a.J=!0,a.mb=0,a.vb=null,a.Tb=!1,a.ng()),!e.a&&a.J){a.J=!1;for(d=a.xb=1;d<=a.Sb;++d)XJ(a.zb[d]),eH(a.zb[d]);a.mb=24;a.ob&&(a.ob.s=!0);a.Tb=!0;a.ng()}(e=WJ(a,b,"showDragAndDropSymbolInDepictMode"))&&\n(a.nc=e.a);(e=WJ(a,b,"addNewPart"))&&(a.p=e.a);(e=WJ(a,b,"exportInchi"))&&(a.N=e.a);(e=WJ(a,b,"exportInchiKey"))&&(a.P=e.a);(e=WJ(a,b,"exportInchiAuxInfo"))&&(a.O=e.a);(e=WJ(a,b,"searchInchiKey"))&&(a.kc=e.a);(e=WJ(a,b,"exportSVG"))&&(a.Q=e.a);(e=WJ(a,b,"useOclIDCode"))&&(a.zc=e.a);(e=WJ(a,b,"xbutton"))&&(a.Bc=e.a);(e=WJ(a,b,oj))&&(a.Tb=e.a);(e=WJ(a,b,Ig))&&(a.L=e.a);-1<b.indexOf("nocenter")&&(a.Ob=!0);-1<b.indexOf("jmeh")&&(a.ab=!0);-1<b.indexOf("showan")&&(a.mc=!0);(e=WJ(a,b,"atommovebutton"))&&\n(a.lc=e.a);(e=WJ(a,b,"useopenchemlib"))&&(a.Ac=e.a);(e=WJ(a,b,"zoom"))&&(a.s=e.a);a.dc&&(a.A=!0,a.Fb=!0);a.J||(a.L=!1);KH=LH(a);a.F=null;a.G=null;c&&a.ff(a.Ec.d)}function WJ(a,b,c){var d;d=!!IF(KF(dg+c+dg,2),b).a;b=!!IF(KF("\\\\bno"+c+dg,2),b).a;return d&&b?(a.mg("check option "+c),null):d?(SG(),SG(),TG):b?(SG(),SG(),UG):null}\nfunction YJ(a,b){var c,d,e;e=m;for(d=1;d<=a.Sb;++d){if(0<b&&(c=fJ(a.zb[d]),c!=b))continue;c=a.zb[d];for(var f=void 0,g=void 0,h=f=void 0,j=void 0,l=g=g=void 0,n=void 0,o=void 0,f=void 0,n=m+c.p+ha+c.q,j=1;j<=c.p;++j)f=c.b[j],g=f.d,f=m,0!=g&&(f+=g),f+=XH(c,j),c.k.ab&&0<c.b[j].i&&(f+=We,1<c.b[j].i&&(f+=c.b[j].i)),0!=c.b[j].n&&(0<c.b[j].n?f+=mb:f+=ub,1<$H(c.b[j].n)&&(f+=$H(c.b[j].n))),g=ZJ(c,j),0!=g&&(f+=gd+g),n+=ha+f+ha+sJ(0.055999999999999994*c.b[j].q,0,2)+ha+sJ(0.055999999999999994*-c.b[j].r,0,2);\nfor(j=1;j<=c.q;++j)f=c.c[j].i,g=c.c[j].j,l=c.c[j].c,o=c.c[j].f,1==o?l=-1:2==o?l=-2:3==o?(l=-1,h=f,f=g,g=h):4==o?(l=-2,h=f,f=g,g=h):10==o&&(l=-5),9==c.c[j].c&&(l=o),n+=ha+f+ha+g+ha+l;c=n;0<c.length&&(0<e.length&&(e+=Ok),e+=c)}return e}\nfunction EG(a,b){var c,d,e,f;e=m;for(c=1;c<=a.Sb;++c){if(0<b&&(d=fJ(a.zb[c]),d!=b))continue;for(var g=a.zb[c],h=void 0,j=void 0,l=void 0,n=void 0,l=m,j=LG(g),h=0;h<j.length;++h){var o=j[h],r=(SG(),g.k.tc?TG:UG),t=g.k.C?TG:UG,y=void 0,v=void 0,s=void 0,A=void 0,F=void 0,M=void 0,N=void 0,$=void 0,S=void 0,V=void 0,ea=void 0,na=void 0,ta=void 0,Yb=void 0,K=void 0,ra=void 0,yc=void 0,jd=void 0,wb=void 0,L=void 0,Ha=void 0,xb=void 0,Hc=void 0,tc=void 0,Ba=void 0,kd=void 0,ld=void 0,va=void 0,Fa=void 0,\nba=void 0,ea=SH(o.p+10),na=SH(o.p+10),S=SH(o.p+1),V=SH(7),Ba=SH(o.p+1),Yb=[],K=[],xb=0;if(0==o.p)n=m;else{UI(o);tc=!0;for($=1;$<=o.q;++$)if(9==o.c[$].c){tc=!1;break}if(t.a&&tc){YG(o);$J(o);aK(o,K);bK(o,Yb,K);var aa=o,Ya=void 0,Ab=void 0,Jc=void 0,cc=void 0,da=void 0,sd=void 0,W=void 0,O=void 0,kb=void 0,Ia=void 0,ae=void 0,U=void 0,ga=void 0,$c=void 0,Kc=void 0,Oa=void 0,eb=void 0,Lc=void 0,be=void 0,wd=void 0,Wc=void 0,Kb=void 0,Ya=SH(aa.p+1),Ab=SH(aa.p+1),O=SH(aa.p+1);var ob=aa.p,dc=void 0,uc=void 0,\n$b=void 0,I=void 0,oc=void 0,ac=void 0,zc=void 0,oc=SH(ob+2),ac=SH(100),zc=5,I=0;ac[0]=3;oc[1]=Sk;oc[2]=Tk;$b=2;if(!(3>ob))for(;zc<ac[I]*ac[I];){uc=0;for(dc=!0;dc&&uc<=I&&zc>=ac[uc]*ac[uc];)0==zc%ac[uc]?dc=!1:++uc;if(dc){oc[++$b]=kx(zc);if($b>=ob)break;I<ac.length-1&&(++I,ac[I]=zc)}zc+=2}for(U=1;U<=aa.p;++U){Jc=aa.b[U];for(ga=wd=1;ga<=aa.q;++ga)(aa.c[ga].i==U||aa.c[ga].j==U)&&(wd*=aa.d[ga]);be=aa.b[U].a;32==be&&(Kb=aa.b[U].e,0<Kb.length&&(sd=Kb.charCodeAt(0)-65+1,W=0,1<Kb.length&&(W=Kb.charCodeAt(1)-\n97),0>sd&&(sd=0),0>W&&(W=0),be=28*sd+W));eb=0;0!=aa.b[U].n&&(-2>aa.b[U].n?eb=1:-2==aa.b[U].n?eb=2:-1==aa.b[U].n?eb=3:1==aa.b[U].n?eb=4:2==aa.b[U].n?eb=5:2<aa.b[U].n&&(eb=6));Ia=0;0!=Jc.d&&(Ia=cK(XH(aa,U),Jc.d),0>Ia&&(Ia=10-Ia));Wc=126;kb=wd;kb+=126*aa.b[U].i;Wc*=7;kb+=eb*Wc;Wc*=7;0!=Ia&&(kb+=Ia*Wc);Wc*=7;kb+=be*Wc;Wc*=783;kb+=aa.b[U].j*Wc;O[U]=kx(kb)}for(da=0;!dK(aa,Ya,O);){Oa=!1;for(U=1;U<=aa.p;++U)Ya[U]!=Ab[U]&&(Ab[U]=Ya[U],Oa=!0);if(Oa){for(U=1;U<=aa.p;++U){O[U]=Rk;for(ga=1;ga<=aa.b[U].j;++ga)O[U]=\nox(O[U],oc[Ya[aa.b[U].p[ga]]])}da=0}else if(0<da){for(U=1;U<=aa.p;++U)O[U]=Rk;U=1;b:for(;U<=aa.p-1;++U)for(ga=U+1;ga<=aa.p;++ga)if(Ya[U]==Ya[ga]){O[U]=Sk;break b}}else{for(U=1;U<=aa.p;++U){O[U]=Rk;for(ga=1;ga<=aa.b[U].j;++ga)Jc=aa.b[U].p[ga],O[U]=ox(O[U],kx(aa.b[Jc].a*aa.d[TJ(aa,U,Jc)]))}da=1}dK(aa,Ya,O);for(U=1;U<=aa.p;++U)O[U]=kx(Ab[U]*aa.p+Ya[U])}for(U=1;U<=aa.p;++U)Ab[U]=Ya[U];for(Lc=1;Lc<=aa.p;++Lc)for(U=1;U<=aa.p;++U)if(Ab[U]==Lc){var vc=aa.b,xd=U,ce=void 0,ce=vc[Lc];wq(vc,Lc,vc[xd]);wq(vc,\nxd,ce);Ab[U]=Ab[Lc];Ab[Lc]=Lc;break}for(U=1;U<=aa.q;++U)aa.c[U].i=Ya[aa.c[U].i],aa.c[U].j=Ya[aa.c[U].j],aa.c[U].i>aa.c[U].j&&(ae=aa.c[U].i,aa.c[U].i=aa.c[U].j,aa.c[U].j=ae,1==aa.c[U].f?aa.c[U].f=3:2==aa.c[U].f?aa.c[U].f=4:3==aa.c[U].f?aa.c[U].f=1:4==aa.c[U].f&&(aa.c[U].f=2));for(U=1;U<aa.q;++U){Kc=$c=aa.p;cc=0;for(ga=U;ga<=aa.q;++ga)aa.c[ga].i<$c?($c=aa.c[ga].i,Kc=aa.c[ga].j,cc=ga):aa.c[ga].i==$c&&aa.c[ga].j<Kc&&(Kc=aa.c[ga].j,cc=ga);var Hd=aa.c,ad=U,Ob=void 0,Ob=Hd[cc];wq(Hd,cc,Hd[ad]);wq(Hd,ad,\nOb)}eK(aa);fK(o);aK(o,K);bK(o,Yb,K)}else{aK(o,K);o.d=SH(o.q+1);for(ta=1;ta<=o.q;++ta)o.d[ta]=o.c[ta].c}v=1;o.a=SH(o.p+1);ba=1;o.a[1]=1;for(L=0;;){Ha=0;for(ta=1;ta<=o.b[v].j;++ta)if(M=o.b[v].p[ta],0<o.a[M]){if(!(o.a[M]>o.a[v])&&M!=Ba[v]){Hc=!0;for(yc=1;yc<=xb;++yc)if(ea[yc]==v&&na[yc]==M||ea[yc]==M&&na[yc]==v){Hc=!1;break}Hc&&(++xb,ea[xb]=v,na[xb]=M)}}else V[++Ha]=M;if(0==Ha){if(ba==o.p)break;v=S[L--]}else if(1==Ha)Ba[V[1]]=v,v=V[1],o.a[v]=++ba;else{S[++L]=v;A=0;for(ta=1;ta<=Ha;++ta)if($=TJ(o,V[ta],\nv),!K[$]){A=V[ta];break}if(0==A)for(ta=1;ta<=Ha;++ta)if($=TJ(o,V[ta],v),2==o.d[$]||3==o.d[$]){A=V[ta];break}0==A&&(A=V[1]);Ba[A]=v;v=A;o.a[A]=++ba}}Ba=SH(o.p+1);y=SH(o.p+1);jd=[];kd=[];F=ba=L=0;for(ta=1;ta<=o.p;++ta)if(1==o.a[ta]){v=ta;break}b:for(;;){0<F&&(Ba[v]=F);y[++ba]=v;for(o.a[v]=0;;){Ha=A=0;wb=o.p+1;ta=1;c:for(;ta<=o.b[v].j;++ta){M=o.b[v].p[ta];for(ra=1;ra<=xb;++ra)if(ea[ra]==M&&na[ra]==v||ea[ra]==v&&na[ra]==M)continue c;0<o.a[M]&&(++Ha,o.a[M]<wb&&(A=M,wb=o.a[M]))}if(0==A){if(0==L)break b;\nkd[v]=!0;v=S[L--]}else break}F=v;v=A;1<Ha&&(S[++L]=F,jd[A]=!0)}ld=SH(o.q+1);va=SH(o.p+1);if(r.a){for(var ca=o,Rd=y,Sd=Ba,Ge=ld,Gb=va,yd=ea,fb=na,rb=xb,Hb=void 0,Db=void 0,ec=void 0,fc=void 0,gb=void 0,Id=void 0,md=void 0,bd=void 0,cd=void 0,gc=void 0,fc=SH(ca.p+1),Hb=1;Hb<=ca.p;++Hb)fc[Rd[Hb]]=Hb;Id=[];for(bd=1;bd<=ca.p;++bd)Db=Rd[bd],ec=Sd[Db],gb=TJ(ca,Db,ec),0!=gb&&(gK(ca,gb,fc,Ge),Id[gb]=!0);for(bd=1;bd<=ca.q;++bd)Id[bd]||gK(ca,bd,fc,Ge);Hb=1;b:for(;Hb<=ca.p;++Hb)if(!(2>ca.b[Hb].j||4<ca.b[Hb].j)){md=\ngc=0;for(cd=1;cd<=ca.b[Hb].j;++cd){gb=TJ(ca,Hb,ca.b[Hb].p[cd]);if(5==ca.d[gb])continue b;1==ca.c[gb].c&&0!=hK(ca,gb,Hb)&&++gc;2==ca.c[gb].c&&(md=ca.b[Hb].p[cd])}if(0!=gc)if(0<md){var Ua=ca,Mc=fc,dd=Gb,de=void 0,pb=void 0,pc=void 0,se=void 0,T=void 0,ee=void 0,Wa=void 0,hc=void 0,qc=void 0,ic=void 0,Ja=void 0,Jd=void 0,kf=void 0,ab=void 0,me=void 0,te=void 0,Kd=void 0,jc=void 0,ue=void 0,td=void 0,Td=void 0,zd=void 0,Fb=void 0,Sc=void 0,pc=iK(Ua,Hb),ic=pc[0];if(0!=ic%2&&(Sc=pc[1],pb=pc[~~((ic+1)/2)],\nWa=pc[ic],!(2>Ua.b[Wa].j||3<Ua.b[Wa].j))){td=jc=ab=Jd=0;zd=te=!1;for(qc=1;qc<=Ua.b[Sc].j;++qc)de=Ua.b[Sc].p[qc],de!=pc[2]&&(0==Jd?Jd=de:ab=de);0<Mc[ab]&&Mc[Jd]>Mc[ab]&&(se=Jd,Jd=ab,ab=se);Ja=Jd;0==Jd&&(Ja=ab,te=!0);for(hc=1;hc<=Ua.b[Wa].j;++hc)de=Ua.b[Wa].p[hc],de!=pc[ic-1]&&(0==jc?jc=de:td=de);0<Mc[td]&&Mc[jc]>Mc[td]&&(se=jc,jc=td,td=se);Kd=jc;0==jc&&(Kd=td,zd=!0);kf=0<Jd?hK(Ua,TJ(Ua,Sc,Jd),Sc):0;me=0<ab?hK(Ua,TJ(Ua,Sc,ab),Sc):0;ue=0<jc?hK(Ua,TJ(Ua,Wa,jc),Wa):0;Td=0<td?hK(Ua,TJ(Ua,Wa,td),Wa):0;1<\n(0>kf+me?-(kf+me):kf+me)||0!=ue||0!=Td?Ou(Ua.k,"Bad stereoinfo on allene !"):(T=Ua.b[pc[ic-1]].q-Ua.b[Wa].q,ee=Ua.b[pc[ic-1]].r-Ua.b[Wa].r,Fb=Math.sqrt(T*T+ee*ee),0.001>Fb&&(Fb=0.001),0<(Ua.b[Kd].r-Ua.b[pc[ic-1]].r)*(T/Fb)-(Ua.b[Kd].q-Ua.b[pc[ic-1]].q)*(ee/Fb)?dd[pb]=1:dd[pb]=-1,te&&(dd[pb]*=-1),zd&&(dd[pb]*=-1),Ja==Jd&&0>kf&&(dd[pb]*=-1),Ja==ab&&0>me&&(dd[pb]*=-1),Mc[Ja]>Mc[Kd]&&(dd[pb]*=-1))}}else c:{var sb=ca,ed=Hb,ve=Gb,Ud=void 0,Ac=void 0,Nc=void 0,rc=void 0,hb=void 0,kc=void 0,Ad=void 0,we=\nvoid 0,Bd=void 0,Bc=void 0,Pa=void 0,Za=void 0,Cd=void 0,Vd=void 0,Cc=void 0,Va=void 0,Ue=void 0,Za=SH(4),Vd=SH(4),Ve=sb,nd=ed,og=fc,lf=Sd,Kh=yd,He=fb,pg=rb,Eb=Za,Xc=void 0,Dd=void 0,mf=void 0,qg=void 0,Mg=void 0,Df=void 0,Df=-1;0<lf[nd]&&(Eb[++Df]=lf[nd]);for(Dd=1;Dd<=pg;++Dd)Kh[Dd]==nd&&(Eb[++Df]=He[Dd]),He[Dd]==nd&&(Eb[++Df]=Kh[Dd]);for(Dd=Df+1;Dd<Ve.b[nd].j;++Dd){Mg=Ve.p+1;mf=1;d:for(;mf<=Ve.b[nd].j;++mf){Xc=Ve.b[nd].p[mf];for(qg=0;qg<Dd;++qg)if(Xc==Eb[qg])continue d;og[Xc]<Mg&&(Mg=og[Xc],Eb[Dd]=\nXc)}}0==lf[nd]&&0<Ve.b[nd].i?(Eb[3]=Eb[2],Eb[2]=Eb[1],Eb[1]=Eb[0],Eb[0]=-1):0<Ve.b[nd].i&&(Eb[3]=Eb[2],Eb[2]=Eb[1],Eb[1]=-1);for(hb=we=kc=rc=Ue=Ad=Bc=0;4>hb;++hb)0>=Za[hb]||(Ud=TJ(sb,ed,Za[hb]),Vd[hb]=hK(sb,Ud,ed),0<Vd[hb]?(++Bc,Ue=Za[hb],kc=Za[hb]):0>Vd[hb]?(++Ad,rc=Za[hb],kc=Za[hb]):we=Za[hb]);Bd=Bc+Ad;Va=SH(4);Cc=0;if(3==sb.b[ed].j){if(1==Bc&&1==Ad||3==Bd&&0<Bc&&0<Ad){Ou(sb.k,"Error in C3H stereospecification !");break c}Cd=Za[0];1==Bd?Cd=kc:2==Bd&&(Cd=we);Pa=jK(sb,ed,Cd,Za);Va[0]=kc;Va[1]=-1;\nVa[2]=Pa[2];Va[3]=Pa[1];0<Bc?Cc=1:Cc=-1}else if(4==sb.b[ed].j)if(1==Bd)Pa=jK(sb,ed,kc,Za),Va[0]=Pa[0],Va[1]=Pa[3],Va[2]=Pa[2],Va[3]=Pa[1],0<Bc?Cc=1:Cc=-1;else{Cd=Za[0];1<we&&(Cd=we);1==Bc?Cd=Ue:1==Ad&&(Cd=rc);Pa=jK(sb,ed,Cd,Za);Ac=SH(4);for(hb=0;4>hb;++hb)Ud=TJ(sb,ed,Pa[hb]),Ac[hb]=hK(sb,Ud,ed);if(4==Bd){if(0==Bc||0==Ad){Ou(sb.k,"Error in C4 stereospecification !");break c}if(1==Bc||1==Ad)Va[0]=Pa[0],Va[1]=Pa[3],Va[2]=Pa[2],Va[3]=Pa[1],Cc=Ac[0];else{for(hb=0;4>hb;++hb)-1==Ac[hb]&&(Ac[hb]=0);Bd=2}}else if(3==\nBd)if(3==Bc||3==Ad)Va[0]=Pa[0],Va[1]=Pa[3],Va[2]=Pa[2],Va[3]=Pa[1],0<Bc?Cc=-1:Cc=1;else{1==Bc?Bc=Nc=1:Ad=Nc=-1;for(hb=0;4>hb;++hb)Ac[hb]==Nc&&(Ac[hb]=0);Bd=2}if(2==Bd)if(1==Bc&&1==Ad)Pa[1]==rc?(Pa[1]=Pa[2],Pa[2]=Pa[3]):Pa[2]==rc&&(Pa[2]=Pa[3]),Va[0]=Ue,Va[1]=rc,Va[2]=Pa[2],Va[3]=Pa[1],Cc=1;else{if(Ac[0]==Ac[1]||Ac[1]==Ac[2]){Ou(sb.k,"Error in C4 stereospecification ! 2/0r");break c}0!=Ac[0]?(Va[0]=Pa[0],Va[1]=Pa[2],Va[2]=Pa[1],Va[3]=Pa[3]):(Va[0]=Pa[1],Va[1]=Pa[3],Va[2]=Pa[2],Va[3]=Pa[0]);1<Bc?Cc=\n1:Cc=-1}}var Ca=Va,Sf=Za,Oc=void 0;Sf[0]==Ca[1]?(Oc=Ca[0],Ca[0]=Ca[1],Ca[1]=Oc,Oc=Ca[2],Ca[2]=Ca[3],Ca[3]=Oc):Sf[0]==Ca[2]?(Oc=Ca[2],Ca[2]=Ca[0],Ca[0]=Oc,Oc=Ca[1],Ca[1]=Ca[3],Ca[3]=Oc):Sf[0]==Ca[3]&&(Oc=Ca[3],Ca[3]=Ca[0],Ca[0]=Oc,Oc=Ca[1],Ca[1]=Ca[2],Ca[2]=Oc);Sf[1]==Ca[2]?(Oc=Ca[1],Ca[1]=Ca[2],Ca[2]=Oc,Oc=Ca[2],Ca[2]=Ca[3],Ca[3]=Oc):Sf[1]==Ca[3]&&(Oc=Ca[1],Ca[1]=Ca[3],Ca[3]=Oc,Oc=Ca[2],Ca[2]=Ca[3],Ca[3]=Oc);Va[2]==Za[2]?ve[ed]=1:Va[2]==Za[3]?ve[ed]=-1:Ou(sb.k,"Error in stereoprocessing ! - t30");\nve[ed]*=Cc}}}Fa=new kK;N=SH(o.p+1);for(ta=1;ta<=o.p;++ta)N[y[ta]]=ta;for(ta=1;ta<=o.p;++ta){v=y[ta];jd[v]&&(Fa.a.a+=db);0<Ba[ta]&&lK(o,v,Ba[v],Fa,ld);var nf=v,Ib=Fa,Ef=Yb[v],Lh=va,Ff=void 0,of=void 0,Ld=void 0,ne=void 0,Wd=void 0,ib=void 0,Tf=void 0,fd=void 0,Da=void 0,Da=Wf,of=o.b[nf],Wd=of.d,Tf=of.i,fd=of.n,Ff=of.a,Ld=!1;(0!=fd||0!=Wd)&&(Ld=!0);0!=Lh[nf]&&(Ld=!0);ib=ZJ(o,nf);ne=0!=ib;Ld=Ld||ne;o.k.sc&&0<o.b[nf].c&&(Ld=!0);switch(Ff){case 2:Da=he;break;case 3:Ef?Da=Lg:Da=pe;break;case 4:Ef?(Da=Ui,\n0<Tf&&(Ld=!0)):Da=vf;break;case 5:Ef?Da="o":Da=Af;break;case 7:Ef?(Da=lj,0<Tf&&(Ld=!0)):Da=Bf;break;case 8:Ef?Da=Mj:Da=Jf;break;case 13:Ef?Da=Pj:Da=Lf;Ld=!0;break;case 6:Da=Nf;Ld=!0;break;case 9:Da=Pe;break;case 10:Da=Be;break;case 11:Da=oe;break;case 12:Da=Ye;break;case 1:Da=We;Ld=!0;break;case 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if(234==a.k.k)lJ(a,a.v,0),iJ(a,a.p,4),a.v=a.p,a.k.Xb&&gJ(a,a.v,1),lJ(a,a.v,0),iJ(a,a.p,5),a.c[a.q].c=2,a.v=a.p-1,lJ(a,a.v,0),iJ(a,a.p,5),a.k.Xb?(a.c[a.q].c=1,gJ(a,a.p,-1)):a.c[a.q].c=2,c=3;else if(235==a.k.k)lJ(a,\na.v,0),a.v=a.p,lJ(a,a.v,0),iJ(a,a.p,5),a.v=a.p-1,lJ(a,a.v,0),iJ(a,a.p,5),a.c[a.q].c=2,c=3;else if(240==a.k.k)lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),iJ(a,a.p,5),a.v=a.p,lJ(a,a.v,0),a.v=a.p-2,lJ(a,a.v,0),iJ(a,a.p,5),a.c[a.q].c=2,c=4;else if(260==a.k.k)lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),iJ(a,a.p,4),a.v=a.p-1,lJ(a,a.v,0),iJ(a,a.p,5),a.c[a.q].c=2,c=3;else if(261==a.k.k)lJ(a,a.v,0),iJ(a,a.p,4),a.v=a.p,lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),iJ(a,a.p,5),a.c[a.q].c=2,c=3;else if(241==a.k.k)lJ(a,a.v,0),iJ(a,a.p,5),a.v=a.p,\nlJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),a.v=a.p-1,lJ(a,a.v,0),a.c[a.q].c=2,iJ(a,a.p,5),c=4;else if(243==a.k.k)lJ(a,a.v,0),iJ(a,a.p,4),a.v=a.p,lJ(a,a.v,0),a.v=a.p-1,lJ(a,a.v,0),c=3;else if(238==a.k.k)lJ(a,a.v,0),a.v=a.p,a.n=!0,lJ(a,a.v,0),a.c[a.q].c=3,a.n=!1,c=2;else if(249==a.k.k)lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),a.c[a.q].c=2,iJ(a,a.p,5),c=2;else if(250==a.k.k)lJ(a,a.v,0),a.c[a.q].c=2,iJ(a,a.p,5),c=1;else if(245==a.k.k)lJ(a,a.v,0),a.v=a.p,a.n=!0,lJ(a,a.v,0),a.v=a.p,a.c[a.q].c=3,lJ(a,a.v,0),a.n=!1,c=3;else if(242==\na.k.k)lJ(a,a.v,0),a.v=a.p,a.n=!0,lJ(a,a.v,0),a.c[a.q].c=3,iJ(a,a.p,4),a.n=!1,c=2;else if(254==a.k.k)lJ(a,a.v,0),iJ(a,a.p,9),c=1;else if(255==a.k.k)lJ(a,a.v,0),iJ(a,a.p,10),c=1;else if(256==a.k.k)lJ(a,a.v,0),iJ(a,a.p,11),c=1;else if(257==a.k.k)lJ(a,a.v,0),iJ(a,a.p,12),c=1;else if(258==a.k.k)lJ(a,a.v,0),iJ(a,a.p,4),c=1;else if(259==a.k.k)lJ(a,a.v,0),iJ(a,a.p,5),c=1;else if(246==a.k.k)lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),c=2;else if(247==a.k.k)lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),c=3;else if(248==\na.k.k)lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),a.v=a.p,lJ(a,a.v,0),c=4;else if(253==a.k.k){var d,e,f,g,h,j,l,n;if(!a.k.uc||0==a.k.uc.p)c=0;else{c=0;n=a.k.uc;for(e=1;e<=n.p;++e)if(1==rJ(n.b[e])){c=e;break}g=a.p;h=a.v;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,n,c,0);var o;o=a.p;for(j=1;j<=n.p;++j)AJ(a,n.b[j]),iJ(a,a.p,n.b[j].a);for(j=1;j<=n.q;++j)OJ(a,null),gN(a.c[a.q],n.c[j]),a.c[a.q].i=n.c[j].i+o,a.c[a.q].j=n.c[j].j+o;eK(a);XG(a.b[g+c]);UN(l,a,g+1,a.p,h,e);\nif(f&&(f=VN(a,g+1,a.p),0<f)){for(j=1;j<=n.p;++j)BJ(a,g+j,n.b[j].q,n.b[j].r);UN(l,a,g+1,a.p,h,d);d=VN(a,g+1,a.p);if(!(d<=f)){for(j=1;j<=n.p;++j)BJ(a,g+j,n.b[j].q,n.b[j].r);UN(l,a,g+1,a.p,h,e)}}OJ(a,null);a.c[a.q].i=h;a.c[a.q].j=c+g;eK(a);b&&(HG(a,h),eH(a));c=n.p}}WN(a,c);a.v=a.x;b&&(a.v=0)}\nfunction RN(a,b,c,d){var e,f,g,h,j;e=a.b[b].p[1];f=a.b[b].p[2];g=a.b[f].q-a.b[e].q;h=-(a.b[f].r-a.b[e].r);j=Math.sqrt(g*g+h*h);0.001>j&&(j=0.001);1>ZH((a.b[b].r-a.b[e].r)*(g/j)+(a.b[b].q-a.b[e].q)*(h/j))?(g=a.b[b].q-a.b[e].q,h=a.b[b].r-a.b[e].r,j=Math.sqrt(g*g+h*h),0.001>j&&(j=0.001),b=h/j,g/=j,d[0]=a.b[e].q+j*g-c*b,d[1]=a.b[e].r+c*g+j*b):(g=(a.b[e].q+a.b[f].q)/2,e=(a.b[e].r+a.b[f].r)/2,g=a.b[b].q-g,h=a.b[b].r-e,j=Math.sqrt(g*g+h*h),0.001>j&&(j=0.001),d[0]=a.b[b].q+c*g/j,d[1]=a.b[b].r+c*h/j)}\nfunction kJ(a){var b,c,d,e,f,g,h,j,l,n,o,r,t,y;n=-1;j=6;switch(a.k.k){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=fM(312.5/(1-Math.cos(f)));if(0<a.v)if(2>a.b[a.v].j)XN(a,j,f,l);else if(!a.k.Bb&&!a.k.rc)n=a.v,lJ(a,a.v,0),a.v=a.p,XN(a,j,f,l);else{a.k.rc=!1;if(209==a.k.k||221==a.k.k||223==a.k.k){Ou(a.k,"ERROR - cannot add aromatic spiro ring !");a.k.cb=9;return}for(d=\n1;d<=a.b[a.v].j;++d)if(b=a.c[TJ(a,a.v,a.b[a.v].p[d])].c,2<d||1!=b){Ou(a.k,"ERROR - spiro ring not possible here !");a.k.cb=9;return}b=SH(2);RN(a,a.v,l,b);e=a.b[a.v].q-b[0];g=a.b[a.v].r-b[1];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;for(d=1;d<=j;++d)h=AJ(a,null),r=f*d+1.5707963267948966,FJ(h,b[0]+l*(Math.sin(r)*e-Math.cos(r)*g),b[1]+l*(Math.cos(r)*e+Math.sin(r)*g))}else if(0<a.w){b=a.c[a.w].i;c=a.c[a.w].j;d=0;2==a.b[b].j?a.b[b].p[1]!=c?d=a.b[b].p[1]:d=a.b[b].p[2]:2==a.b[c].j&&(a.b[c].p[1]!=\nb?d=a.b[c].p[1]:d=a.b[c].p[2],o=b,b=c,c=o);0==d&&(a.b[b].p[1]!=c?d=a.b[b].p[1]:d=a.b[b].p[2]);e=a.b[c].q-a.b[b].q;g=a.b[c].r-a.b[b].r;o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;h=o/2;r=l*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.b[d].r-a.b[b].r)*e-(a.b[d].q-a.b[b].q)*g&&(r=-r,o=0);t=a.b[b].q+h*e-r*g;y=a.b[b].r+r*e+h*g;for(d=1;d<=j;++d)h=AJ(a,null),r=f*(d+0.5)+3.141592653589793*o,FJ(h,t+l*(Math.sin(r)*e-Math.cos(r)*g),y+l*(Math.cos(r)*e+Math.sin(r)*g)),1==o?(d==j&&FJ(h,a.b[b].q,a.b[b].r),\nd==j-1&&FJ(h,a.b[c].q,a.b[c].r)):(d==j-1&&FJ(h,a.b[b].q,a.b[b].r),d==j&&FJ(h,a.b[c].q,a.b[c].r))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)h=AJ(a,null),r=f*(d-b),FJ(h,a.z+l*Math.sin(r),a.A+l*Math.cos(r))}b=j;l=0;for(f=1;f<=b;++f)OJ(a,null),l=a.p-b+f,a.b[l].j=2,a.c[a.q].i=l,a.c[a.q].j=l+1;a.c[a.q].j=a.p-b+1;if(209==a.k.k){if(a.c[a.q-4].c=2,a.c[a.q-2].c=2,a.c[a.q].c=2,0<a.w)if(1==a.c[a.w].c){if(b=0,1<a.b[a.c[a.w].i].j&&(b=a.b[a.c[a.w].i].p[1],l=a.c[a.w].i,b==a.c[a.w].j&&(b=a.b[a.c[a.w].i].p[2])),0==b&&\n1<a.b[a.c[a.w].j].j&&(b=a.b[a.c[a.w].j].p[1],l=a.c[a.w].j,b==a.c[a.w].j&&(b=a.b[a.c[a.w].j].p[2])),0<b)for(f=1;f<=a.q;++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.q-4].c=1,a.c[a.q-2].c=1,a.c[a.q].c=1,a.c[a.q-5].c=2,a.c[a.q-3].c=2,a.c[a.q-1].c=3);break}}else a.c[a.q-4].c=1,a.c[a.q-2].c=1,a.c[a.q].c=1,a.c[a.q-5].c=2,a.c[a.q-3].c=2,a.c[a.q-1].c=2}else if(221==a.k.k||223==a.k.k)if(0<a.w){if(1==a.c[a.w].c){b=!1;for(f=1;f<=a.b[a.c[a.w].i].j;++f)if(l=a.b[a.c[a.w].i].p[f],\n1<a.c[TJ(a,a.c[a.w].i,l)].c){b=!0;break}for(f=1;f<=a.b[a.c[a.w].j].j;++f)if(l=a.b[a.c[a.w].j].p[f],1<a.c[TJ(a,a.c[a.w].j,l)].c){b=!0;break}b||(a.c[a.w].c=2)}a.c[a.q-4].c=2;iJ(a,a.p-2,5)}else 0<a.v?221==a.k.k?(a.c[a.q-4].c=1,a.c[a.q-2].c=1,a.c[a.q-1].c=1,a.c[a.q-3].c=2,a.c[a.q].c=2,iJ(a,a.p-1,5)):(a.c[a.q-3].c=1,a.c[a.q-2].c=1,a.c[a.q].c=1,a.c[a.q-4].c=2,a.c[a.q-1].c=2,iJ(a,a.p-2,5)):(a.c[a.q-3].c=1,a.c[a.q-2].c=1,a.c[a.q].c=1,a.c[a.q-4].c=2,a.c[a.q-1].c=2,iJ(a,a.p-2,5));l=SH(a.p+1);for(f=1;f<=j;++f)b=\na.p-j+f,c=a.q-j+f,a.b[b].p[1]=b-1,a.b[b].p[2]=b+1,VJ(a.c[c],a.b);a.b[a.p-j+1].p[1]=a.p;a.b[a.p].p[2]=a.p-j+1;for(f=a.p-j+1;f<=a.p;++f){l[f]=0;c=51;g=0;for(b=1;b<=a.p-j;++b)e=a.b[f].q-a.b[b].q,d=a.b[f].r-a.b[b].r,e=e*e+d*d,50>e&&e<c&&(c=e,g=b);0<g&&(0==a.v||g==a.v)&&(l[f]=g)}g=a.q-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;SJ(a,l[b],l[e],a.c[f].c)}else 0<l[b]?SJ(a,l[b],e,a.c[f].c):\n0<l[e]&&SJ(a,l[e],b,a.c[f].c);d=a.p-j;for(f=a.p;f>d;--f)if(0<l[f]&&(HG(a,f),3==a.b[l[f]].a)){o=0;for(b=1;b<=a.b[l[f]].j;++b){e=a.b[l[f]].p[b];for(c=1;c<=a.q;++c)(a.c[c].i==l[f]&&a.c[c].j==e||a.c[c].i==e&&a.c[c].j==l[f])&&(o+=a.c[c].c)}if(4<o)for(c=g+1;c<=g+j;++c)a.c[c].c=1}0<a.v&&WN(a,j);-1<n&&(a.v=n)}\nfunction XN(a,b,c,d){var e,f,g,h,j,l,n;0==a.b[a.v].j?(e=0,f=1):(e=a.b[a.v].p[1],f=a.b[a.v].q-a.b[e].q,e=a.b[a.v].r-a.b[e].r,g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);l=a.b[a.v].q+d*f;n=a.b[a.v].r+d*e;for(g=1;g<=b;++g)h=AJ(a,null),j=c*g-1.5707963267948966,FJ(h,l+d*(Math.sin(j)*f-Math.cos(j)*e),n+d*(Math.cos(j)*f+Math.sin(j)*e))}function WN(a,b){var c,d;0==b&&(b=a.p);for(c=a.p;c>a.p-b;--c)d=GJ(a,c,1,a.p),0!=d&&fH(a.b[c],6,6)}\nfunction TJ(a,b,c){var d,e,f;for(e=1;e<=a.q;++e)if(d=a.c[e],f=d.i,d=d.j,f==b&&d==c||f==c&&d==b)return e;return 0}function vI(a){var b;for(b=1;b<=a.q;++b)if(1==a.c[b].c&&0<a.c[b].f)return!0;return!1}function dK(a,b,c){var d,e,f,g;e=Qk;for(f=g=0;;){++g;for(d=1;d<=a.p;++d)if(nx(c[d])){e=c[d];break}for(d=1;d<=a.p;++d)nx(c[d])&&!cx(c[d],e)&&(e=c[d]);for(d=1;d<=a.p;++d)hx(c[d],e)&&(b[d]=g,c[d]=Qk,++f);if(f==a.p)break}return g==a.p}\nfunction eH(a){var b,c,d;d=c=0;a.k&&(b=dH(a.k),c=b.b,d=b.a);0>=c||0>=d?a.s=!0:(b=bH(a),c=c/2-b.a,b=d/2-b.b,a.k.Ob||IJ(a,c,b),gH(a))}\nfunction gJ(a,b,c){var d,e,f;if(1==c)return a.b[b].n+=1,!0;if(-1==c)return a.b[b].n+=-1,!0;e=a.b[b].n;f=a.b[b].i;d=a.b[b].o;-1==d&&0==c&&(0==a.b[b].n?a.b[b].n=1:1==a.b[b].n?a.b[b].n=-1:-1==a.b[b].n&&(a.b[b].n=0));switch(a.b[b].a){case 1:0==d&&(0==a.b[b].n?a.b[b].n=1:1==a.b[b].n?a.b[b].n=-1:a.b[b].n=0);break;case 2:2<d&&Ou(a.k,"Charge change not possible on this boron !");0==a.b[b].n?a.b[b].n=1:1==a.b[b].n&&(a.b[b].n=0);break;case 3:3<d?Ou(a.k,"Charge change not possible on this carbon !"):4>d&&(0==\na.b[b].n?a.b[b].n=-1:-1==a.b[b].n?a.b[b].n=1:1==a.b[b].n&&(a.b[b].n=0));break;case 4:case 7:3<d?Ou(a.k,"Charge change not possible on multibonded N or P !"):3==d&&0==a.b[b].n?a.b[b].n=1:3==d&&1==a.b[b].n?a.b[b].n=0:3>d&&0==a.b[b].n?a.b[b].n=1:3>d&&1==a.b[b].n?a.b[b].n=-1:3>d&&-1==a.b[b].n&&(a.b[b].n=0);break;case 5:case 8:case 13:2<d?Ou(a.k,"Charge change not possible on multibonded "+(oG(),vG)[a.b[b].a]+" !"):2==d&&0==a.b[b].n?a.b[b].n=1:2==d&&1==a.b[b].n?a.b[b].n=0:2>d&&0==a.b[b].n?a.b[b].n=-1:\n2>d&&-1==a.b[b].n?a.b[b].n=1:2>d&&1==a.b[b].n&&(a.b[b].n=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.b[b].n?a.b[b].n=-1:0==d&&-1==a.b[b].n?a.b[b].n=0:Ou(a.k,"Charge change not possible on the halogen !");break;case 32:Ou(a.k,"Use X button to change charge on the X atom !")}if(0<CG(a.b[b].a)){var c=a.b[b],g,h,j,l;g=!1;h=CG(c.a);0<h&&(h-=d,0<h&&(l=c.n,j=c.i,l+j<h?l+=h-j:l+j==h&&(l==h?(l=0,j=h):(j=l=0,0==d&&Ou(a.k,"Metallic "+(oG(),vG)[c.a]))),g=c.n!=l||c.i!=j,c.n=l,c.i=j));g||Ou(a.k,"Charge change not possible on "+\n(oG(),vG)[a.b[b].a])}return e!=a.b[b].n||f!=a.b[b].i}function UI(a){var b,c,d,e,f;e=0;f=!1;for(a.a=SH(a.p+1);;){for(d=1;d<=a.p;++d)if(0==a.a[d]){a.a[d]=++e;f=!0;break}if(!f)break;for(;f;){f=!1;for(d=1;d<=a.q;++d)b=a.c[d].i,c=a.c[d].j,0<a.a[b]&&0==a.a[c]?(a.a[c]=e,f=!0):0<a.a[c]&&0==a.a[b]&&(a.a[b]=e,f=!0)}}return e}function GJ(a,b,c,d){var e,f,g,h;g=51;for(h=0;c<=d;++c)b!=c&&(e=a.b[b].q-a.b[c].q,f=a.b[b].r-a.b[c].r,e=e*e+f*f,50>e&&e<g&&(g=e,h=c));return h}function KG(a){fK(a);$J(a)}\nfunction $J(a){var b,c,d,e,f;for(f=1;f<=a.q;++f){d=a.c[f];b=d.i;c=d.j;e=d.c;if(1==a.b[b].n&&-1==a.b[c].n||-1==a.b[b].n&&1==a.b[c].n)if(1==e||2==e){if(3!=a.b[b].a&&3!=a.b[c].a&&a.k.Xb)continue;if(1==a.b[b].a||1==a.b[c].a)continue;if(2==a.b[b].a||2==a.b[c].a)continue;if(9==a.b[b].a||10==a.b[b].a||11==a.b[b].a||12==a.b[b].a||9==a.b[c].a||10==a.b[c].a||11==a.b[c].a||12==a.b[c].a)continue;a.b[b].n=0;a.b[c].n=0;++e;d.c=e;fK(a)}1==a.b[b].n&&1==a.b[c].n&&(2==e?e=1:3==e&&(e=2),d.c=e,fK(a));4==e&&(e=1);d.c=\ne}}function QN(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function eK(a){YN(a);gH(a);fK(a)}\nfunction bH(a){var b,c,d,e,f,g;b=new hN;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.p;++c)a.b[c].q<f&&(f=a.b[c].q),a.b[c].q>d&&(d=a.b[c].q),a.b[c].r<g&&(g=a.b[c].r),a.b[c].r>e&&(e=a.b[c].r);b.a=f+(d-f)/2;b.b=g+(e-g)/2;b.c=d-f;b.d=e-g;25>b.c&&(b.c=25);25>b.d&&(b.d=25);return b}function VN(a,b,c){var d,e;e=0;for(d=1;d<=a.p;++d)d>=b&&d<=c||0!=GJ(a,d,b,c)&&++e;return e}function SJ(a,b,c,d){var e;e=OJ(a,null);PJ(a.b[b],c);PJ(a.b[c],b);e.i=b;e.j=c;VJ(e,a.b);e.c=d;return e}\nfunction AJ(a,b){++a.p;b?a.b[a.p]=$M(b):a.b[a.p]=new RJ;return a.b[a.p]}function YH(a,b,c,d,e,f){var g;g=a.b[b].q-c/2;f||(g-=d-c);a=a.b[b].r-~~(e/2);return new ZN(g-1-2,a-2,d+1+4,e+4)}function OJ(a,b){var c;++a.q;c=new fN;b&&gN(c,b);return a.c[a.q]=c}\nfunction oJ(a,b,c){var d,e,f,g,h,c=qJ(a,b,c,!1);e=-1.7976931348623157E308;d=1.7976931348623157E308;for(b=1;b<=a.p;++b)a.b[b].r>e&&(e=a.b[b].r),a.b[b].q<d&&(d=a.b[b].q);for(b=1;b<=a.p;++b)c+=sJ(0.055999999999999994*(a.b[b].q-d),10,4)+sJ(0.055999999999999994*(e-a.b[b].r),10,4)+sJ(0,10,4),g=XH(a,b),1==g.length?g+=ja:2==g.length?g+=ha:3<g.length&&(g="Q  "),c+=ha+g,f=0,0<a.b[b].n&&4>a.b[b].n?f=4-a.b[b].n:0>a.b[b].n&&-4<a.b[b].n&&(f=4-a.b[b].n),h=0,0!=a.b[b].d&&(g=cK(XH(a,b),a.b[b].d),-3<=g&&4>=g&&(h=g)),\ng=nJ(h,2)+nJ(f,3)+"  0  0  0  0  0  0  0",f=ZJ(a,b),g+=nJ(f,3),c+=g+ka+(oG(),fa);for(b=1;b<=a.q;++b)d=a.c[b],g=e=d.c,1==a.c[b].c?g=1:2==a.c[b].c&&(g=2),f=nJ(d.i,3)+nJ(d.j,3),h=0,1==e&&1==d.f?h=1:1==e&&2==d.f&&(h=6),1==e&&3==d.f&&(h=1,f=nJ(d.j,3)+nJ(d.i,3)),1==e&&4==d.f&&(h=6,f=nJ(d.j,3)+nJ(d.i,3)),c+=f+nJ(g,3)+nJ(h,3)+la+(oG(),fa);for(b=1;b<=a.p;++b)0!=a.b[b].n&&(c+="M  CHG  1"+nJ(b,4)+nJ(a.b[b].n,4)+(oG(),fa)),0!=a.b[b].d&&(c+="M  ISO  1"+nJ(b,4)+nJ(a.b[b].d,4)+(oG(),fa));return c+=gf+(oG(),fa)}\nfunction HG(a,b){var c,d,e,f,g,h,j;g=j=0;for(h=1;h<=a.q;++h)e=a.c[h],c=e.i,d=e.j,c!=b&&d!=b?(++j,f=a.c[j],gN(f,e),f.i=c,c>b&&--f.i,f.j=d,d>b&&--f.j):g+=e.c;a.q=j;for(h=b;h<a.p;++h)a.b[h]=a.b[h+1];--a.p;if(0==a.p)hH(a.k,!0);else for(h=1;h<=a.p;++h){d=0;for(j=1;j<=a.b[h].j;++j)c=a.b[h].p[j],c==b?a.b[h].i+=g:(c>b&&--c,a.b[h].p[++d]=c);a.b[h].j=d}}\nfunction JG(a,b){var c,d,e,f;c=a.c[b].i;d=a.c[b].j;for(e=b;e<a.q;++e)a.c[e]=a.c[e+1];--a.q;f=0;for(e=1;e<=a.b[c].j;++e)a.b[c].p[e]!=d&&(a.b[c].p[++f]=a.b[c].p[e]);a.b[c].j=f;f=0;for(e=1;e<=a.b[d].j;++e)a.b[d].p[e]!=c&&(a.b[d].p[++f]=a.b[d].p[e]);a.b[d].j=f;c<d&&(f=c,c=d,d=f);0==a.b[c].j&&HG(a,c);0==a.b[d].j&&HG(a,d)}\nfunction YG(a){var b,c,d;c=!1;YN(a);d=a.p;a:for(;1<=d;--d)if(b=a.b[d].p[1],!(a.k&&a.k.ec&&3!=a.b[b].a)&&1==a.b[d].a&&1==a.b[d].j&&0==a.b[d].n&&1!=a.b[b].a&&32>a.b[b].a&&0==a.b[d].d){if(0!=(-99199!=a.b[d].f?a.b[d].f:0))continue a;b=TJ(a,d,b);if(1==a.c[b].c&&(0==a.c[b].f||!a.k.tc))HG(a,d),c=!0}return c}function $N(a,b){var c,d,e,f,g;g=z(B,u,-1,[0,0]);for(e=1,f=0;e<=a.b[b].j;++e)c=a.b[b].p[e],d=TJ(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.p;++d)a.b[d].j=0;for(d=1;d<=a.q;++d)b=a.c[d].i,c=a.c[d].j,PJ(a.b[b],c),PJ(a.b[c],b)}\nfunction bK(a,b,c){var d,e,f,g,h,j,l,n,o;a.d=SH(a.q+1);o=[];for(j=1;j<=a.p;++j){o[j]=!1;b[j]=!1;a:{d=void 0;for(d=1;d<=a.b[j].j;++d)if(c[TJ(a,j,a.b[j].p[d])]){d=!0;break a}d=!1}if(d&&!(3<a.b[j].j+a.b[j].i))switch(a.b[j].a){case 3:case 4:case 7:case 5:case 8:case 13:o[j]=!0;break;case 32:0==a.b[j].e.indexOf(Nd)?o[j]=!1:o[j]=!0}}if(a.j){var r;d=[];e=!1;for(j=1;j<=a.q;++j)f=a.c[j].i,g=a.c[j].j,d[f]=!0,d[g]=!0,(32==a.b[f].a||32==a.b[g].a)&&(e=!0);if(e){j=1;a:for(;j<=a.q;++j)if(c[j]){f=a.c[j].i;g=a.c[j].j;\ne=[];for(l=1;l<=a.b[f].j;++l)h=a.b[f].p[l],h!=g&&d[h]&&(e[h]=!0);for(r=!1;;){for(l=1;l<=a.p;++l){r=!1;if(e[l]&&d[l]&&l!=f)for(n=1;n<=a.b[l].j;++n){h=a.b[l].p[n];if(h==g){for(f=1;f<=a.p;++f)e[f]&&(5==a.b[f].a&&(a.b[f].a=32,a.b[f].e="#8"),4==a.b[f].a&&(a.b[f].a=32,a.b[f].e="#7"),8==a.b[f].a&&(a.b[f].a=32,a.b[f].e="#16"));continue a}!e[h]&&d[h]&&(r=e[h]=!0)}if(r)break}if(!r)break}}}}for(h=1;h<=a.q;++h)1==a.c[h].c?a.d[h]=1:2==a.c[h].c?a.d[h]=2:3==a.c[h].c&&(a.d[h]=3);h=1;a:for(;h<=a.q;++h)if(c[h]&&(f=\na.c[h].i,g=a.c[h].j,o[f]&&o[g])){d=[];for(j=1;j<=a.b[f].j;++j)e=a.b[f].p[j],e!=g&&o[e]&&(d[e]=!0);for(n=!1;;){for(j=1;j<=a.p;++j){n=!1;if(d[j]&&o[j]&&j!=f)for(l=1;l<=a.b[j].j;++l){e=a.b[j].p[l];if(e==g){b[f]=!0;b[g]=!0;a.d[h]=5;continue a}!d[e]&&o[e]&&(n=d[e]=!0)}if(n)break}if(!n)break}}}function ZJ(a,b){var c,d;c=a.b[b];d=-99199!=c.f?c.f:0;0==(-99199!=c.f?c.f:0)&&a.k&&a.k.sc&&0<a.b[b].c&&(d=1);return d}function gH(a){var b;for(b=1;b<=a.q;++b)VJ(a.c[b],a.b)}\nfunction iK(a,b){var c,d,e,f,g,h;h=1;f=b;e=SH(a.p+1);if(aN(a.b[b]))return e[0]=0,e;e[1]=b;a:for(;;){g=1;b:for(;g<=a.b[f].j;++g){c=a.b[f].p[g];if(c==e[1]||c==e[h-1])continue b;d=TJ(a,f,c);if(2==a.c[d].c&&5!=a.d[d]){f=e[++h]=c;continue a}}break a}e[0]=h;return e}function aK(a,b){var c;for(c=1;c<=a.q;++c)cI(a,a.c[c].i,a.c[c].j)?b[c]=!1:b[c]=!0}function lI(a){var b,c,d;if(0==a.p)return 0;d=-999999;for(b=1;b<=a.p;++b)c=rJ(a.b[b]),c>d&&(d=c);return d}\nfunction XH(a,b){var c;c=(oG(),vG)[a.b[b].a];32==a.b[b].a&&(c=a.b[b].e);return c}function UJ(a,b){a.b[b].j+=-1}function cI(a,b,c){var d,e,f,g,h;h=1;a.a=SH(a.p+1);for(e=a.a[b]=1;e<=a.b[b].j;++e)d=a.b[b].p[e],d!=c&&(a.a[d]=++h);for(g=!1;;){for(d=1;d<=a.p;++d){g=!1;if(0<a.a[d]&&d!=b)for(f=1;f<=a.b[d].j;++f)e=a.b[d].p[f],0==a.a[e]&&(a.a[e]=++h,g=!0);if(g)break}if(!g)break}return 0==a.a[c]}\nfunction yJ(a){var b;a.k.gb=!0;if(a.k.sc){a.i=-1;if(0==a.b[a.v].c)return a.b[a.v].c=4,!0;a.b[a.v].c=0;return!1}b=a.b[a.v];-1==a.k.I?XG(b):(a.k.Bb||++a.o,b.f=a.o);return!0}function qJ(a,b,c,d){var e,f;f=d?0:a.f.a&&vI(a)?1:0;e=b;79<b.length&&(e=b.substr(0,76)+mc);e+=(oG(),fa);c?e+="JME 2017-02-26 "+new NM+"\\n\\n":e+="JME\\n\\n";e+=nJ(d?0:a.p,3)+nJ(d?0:a.q,3);return e+=ka+nJ(f,3)+"  0  0  0  0  0999 "+(d?Uf:Rf)+fa}function IJ(a,b,c){var d;for(d=1;d<=a.p;++d)fH(a.b[d],b,c)}\nfunction eJ(a){var b;a.t=0;a.o=0;for(b=1;b<=a.p;++b)a.v=b,yJ(a);a.v=0}function fJ(a){var b,c;b=bH(a);c=a.k.M.b;a.k.J||(c=Fw(c-a.k.mb));return b.a<~~(c/2)-24?1:b.a>~~(c/2)+24?3:2}function QG(a,b){var c,d,e,f,g,h,j;c=bH(a);d=c.a;e=c.b;g=Math.sin(3.141592653589793*b/180);c=Math.cos(3.141592653589793*b/180);for(f=1;f<=a.p;++f)h=a.b[f].q*c+a.b[f].r*g,j=-a.b[f].q*g+a.b[f].r*c,FJ(a.b[f],h,j);c=bH(a);IJ(a,d-c.a,e-c.b)}\nfunction XJ(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.q;++d)b=a.b[a.c[d].i].q-a.b[a.c[d].j].q,c=a.b[a.c[d].i].r-a.b[a.c[d].j].r,f+=Math.sqrt(b*b+c*c);0<a.q?(f/=a.q,e=25/f):1<a.p&&(e=75/fM((a.b[1].q-a.b[2].q)*(a.b[1].q-a.b[2].q)+(a.b[1].r-a.b[2].r)*(a.b[1].r-a.b[2].r)));for(d=1;d<=a.p;++d)b=a.b[d],c=e,b.q*=c,b.r*=c}\nfunction jJ(a,b,c){var d,e,f,g,h;if(0==c.indexOf(Yf)&&gM(c,eg))c=WE(c,1,c.length-1),a.b[b].a=32,a.b[b].e=c,a.b[b].i=0;else{e=a.b[b];var j,l,n,o,r,t;j=IF(ZM,c);if(j.a){o=j.a[1];h=j.a[2];f=j.a[3];g=j.a[4];r=j.a[5];t=j.a[6];j=j.a[8];l=0;n=!0;if(-1!=bN(h)){if(null!=o&&0<o.length){o=mF(o,10);var y;a:{var v;v=lw((!cN&&dN(),cN),h);if(null!=v)for(y=0;y<v.length;++y)if(o==v[y]){y=!0;break a}y=!1}y?e.d=o:n=!1}}else n=!1;n&&(null!=f&&0<f.length?(l=mF(f,10),l*=H(g,ub)?-1:1):null!=r&&0<r.length&&(l=r.length,l*=\nH(r,ub)?-1:1));n&&(c=h+(null!=t?t:m),e.n=l);null!=j&&0<j.length&&(f=mF(j,10),e.f=f)}g=!1;-1<c.indexOf(nb)&&(g=!0);-1<c.indexOf(id)&&(g=!0);-1<c.indexOf(Ga)&&(g=!0);-1<c.indexOf("!")&&(g=!0);f=c.indexOf(gd);e=c.indexOf(We);if(-1<f){h=Sy(c,f+1);try{d=mF(h,10),a.b[b].f=d}catch(s){if(s=Gq(s),!G(s,98))throw s;}c=c.substr(0,f-0)}if(g)a.b[b].e=c,a.b[b].a=32,a.b[b].i=0;else{d=c;0<e&&(d=c.substr(0,e-0));b:{f=d;for(g=1;33>=g;++g)if(H(f,(oG(),vG)[g])){f=g;break b}f=32}iJ(a,b,f);32==a.b[b].a&&(a.b[b].e=d);c+=\nha;d=0;0<e&&(d=1,e=JL(c,++e),48<=e&&57>=e&&(d=e-48));32==a.b[b].a&&(a.b[b].i=d)}}}function TI(a,b,c){var d,e;a.i=1;c&&(a.i=-1);b=new GF(b);try{for(;b.j=zF(b,b.a),b.j<b.i;)d=xI(mF(CF(b),10)).a,c=e=xI(mF(CF(b),10)).a,(0>c||6<c)&&(c=0),a.b[d].c=c}catch(f){if(f=Gq(f),G(f,98))Hp(f);else throw f;}}function RG(a,b){return a.f!=b?(a.f=b,!0):!1}\nfunction lK(a,b,c,d,e){b=TJ(a,b,c);5!=a.d[b]&&2==a.c[b].c?d.a.a+=Ed:3==a.c[b].c?d.a.a+=Ga:9==a.c[b].c?(e=Gd,a=a.c[b].d,null!=a&&(e=a),Kp(d.a,e)):1==e[b]?d.a.a+=nc:-1==e[b]&&(d.a.a+=$f)}\nfunction LG(a){var b,c,d,e,f,g;c=0;for(d=1;d<=a.p;++d)a.b[d].k=0;for(f=1;f<=a.q;++f)a.c[f].e=0;a:for(;;){b=!1;for(d=1;d<=a.p;++d)if(e=a.b[d],0==e.k){e.k=++c;b=!0;break}if(!b)break a;for(;b;){b=!1;for(f=1;f<=a.q;++f)g=a.c[f],0<g.e||(d=a.b[g.i],e=a.b[g.j],d.k!=e.k?(g.e=d.k=e.k=c,b=!0):g.e=d.k)}}b=c;d=D(QJ,q,121,b,0);for(c=1;c<=b;++c)d[c-1]=new aO(a.k,a,c);return d}function qI(a,b,c,d){a=c-a;b=d-b;return a*a+b*b}\nfunction zJ(a,b){var c,d,e;e=a.c[b];if(1==e.c)if(c=a.c[b].i,d=a.c[b].j,2>a.b[c].j&&2>a.b[d].j)e.f=0,Ou(a.k,"Stereomarking meaningless on this bond !");else switch(e.f){case 0:a.b[d].j<=a.b[c].j?e.f=1:e.f=3;break;case 1:e.f=2;break;case 2:2<a.b[d].j?e.f=3:e.f=1;break;case 3:e.f=4;break;case 4:2<a.b[c].j?e.f=1:e.f=3}else 2==e.c?10==e.f?e.f=0:e.f=10:Ou(a.k,"Stereomarking allowed only on single and double bonds!")}\nfunction gK(a,b,c,d){var e,f,g,h,j,l,n,o,r,t;if(!(2!=a.c[b].c||5==a.d[b])&&(10==a.c[b].f||a.k.z))if(f=a.c[b].i,b=a.c[b].j,!aN(a.b[f])||!aN(a.b[b])){e=null;aN(a.b[f])?e=iK(a,b):aN(a.b[b])&&(e=iK(a,f));if(null!=e)if(1==(e[0]-1)%2)f=e[1],b=e[e[0]];else return;e=z(B,u,-1,[f,b]);for(n=0,j=e.length;n<j;++n)if(h=e[n],h=a.b[h].j,2>h||3<h)return;c[f]>c[b]&&(j=f,f=b,b=j);j=$N(a,f);h=j[0];l=j[1];e=0;n=!1;0<l&&c[h]>c[l]&&(j=h,h=l,l=j);j=TJ(a,f,h);0!=d[j]?e=h:1==a.c[j].c&&5!=a.d[j]&&(e=h);0==e&&0<l&&(j=TJ(a,f,\nl),0!=d[j]?e=l:1==a.c[j].c&&5!=a.d[j]&&(e=l));c[e]>c[f]&&(n=!0);j=$N(a,b);l=j[0];g=j[1];h=0;0<g&&c[l]<c[g]&&(j=l,l=g,g=j);j=TJ(a,b,l);1==a.c[j].c&&5!=a.d[j]&&0==d[j]&&(h=l);0==h&&0<g&&(j=TJ(a,b,g),1==a.c[j].c&&5!=a.d[j]&&(h=g));if(!(0==e||0==h))if(l=a.b[b].q-a.b[f].q,j=a.b[b].r-a.b[f].r,g=Math.sqrt(l*l+j*j),0.001>g&&(g=0.001),j/=g,g=l/g,l=(a.b[e].r-a.b[f].r)*g-(a.b[e].q-a.b[f].q)*j,t=(a.b[h].r-a.b[f].r)*g-(a.b[h].q-a.b[f].q)*j,2>(0>=l?0-l:l)||2>(0>=t?0-t:t))Ou(a.k,"Not unique E/Z 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7:f=-3}this.b[g].n=f}}for(g=1;g<=j;++g)e=OJ(this,null),f=\nRI(n,l),e.i=xI(mF(Ry(f.substr(0,3)),10)).a,e.j=xI(mF(Ry(f.substr(3,3)),10)).a,d=xI(mF(Ry(f.substr(6,3)),10)).a,1==d?c=1:2==d?c=2:3==d?c=3:c=9,h=0,11<f.length&&(h=xI(mF(Ry(f.substr(9,3)),10)).a),1==d&&1==h&&(c=1,e.f=1),1==d&&6==h&&(c=1,e.f=2),e.c=c;XJ(this);for(eH(this);(n.j=zF(n,n.a),n.j<n.i)&&!(null==(f=CF(n)));){if(0==f.indexOf(gf))break;if(0==f.indexOf(ff)){l=new EF(f);CF(l);CF(l);j=xI(mF(CF(l),10)).a;for(g=1;g<=j;++g)c=xI(mF(CF(l),10)).a,e=xI(mF(CF(l),10)).a,this.b[c].n=e}if(0==f.indexOf(jf)){l=\nnew EF(f);CF(l);CF(l);j=xI(mF(CF(l),10)).a;for(g=1;g<=j;++g)c=xI(mF(CF(l),10)).a,this.b[c].d=xI(mF(CF(l),10)).a}if(0==f.indexOf("M  APO")){l=new EF(f);CF(l);CF(l);j=xI(mF(CF(l),10)).a;for(g=1;g<=j;++g)c=xI(mF(CF(l),10)).a,f=xI(mF(CF(l),10)).a,this.v=c,lJ(this,this.v,0),jJ(this,this.p,Gf+f),this.v=0}}a&&!a.bb&&YG(this);eK(this)}}\nfunction mK(a,b){var c,d,e,f,g,h,j,l,n,o;iH.call(this,a);0==b.indexOf(oa)&&(b=WE(b,1,b.length));gM(b,oa)&&(b=WE(b,0,b.length-1));if(1>b.length)this.p=0;else{try{j=new EF(b);g=xI(mF(CF(j),10)).a;h=xI(mF(CF(j),10)).a;for(f=1;f<=g;++f)n=CF(j),c=(o=AJ(this,null),jJ(this,this.p,n),o),c.q=(new XL(UL(CF(j)))).a,c.r=-(new XL(UL(CF(j)))).a;for(f=1;f<=h;++f){d=OJ(this,null);d.i=xI(mF(CF(j),10)).a;d.j=xI(mF(CF(j),10)).a;e=xI(mF(CF(j),10)).a;l=0;if(-1==e)l=e=1;else if(-2==e)e=1,l=2;else if(-5==e)e=2,l=10;else if(11==\ne||12==e||13==e||14==e)l=e,e=9;d.c=e;d.f=l}YN(this);XJ(this);eH(this)}catch(r){r=Gq(r);if(G(r,98)){r.Cd();this.p=0;return}throw r;}a&&!a.bb&&YG(this);eK(this)}}function VI(a,b,c){var d,e,f,g;iH.call(this,a);g=SH(b.p+1);for(e=1;e<=b.p;++e)b.a[e]==c&&(AJ(this,b.b[e]),g[e]=this.p);for(e=1;e<=b.q;++e)if(a=b.c[e].i,d=b.c[e].j,!(b.a[a]!=c&&b.a[d]!=c)&&!(b.a[a]!=c||b.a[d]!=c))f=OJ(this,b.c[e]),f.i=g[a],f.j=g[d];this.i=b.i;YN(this)}\nfunction aO(a,b,c){var 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