diff options
Diffstat (limited to 'public/jsme/7A65B607B90DE29D7EA26AA83BF69D4F.cache.js')
| -rw-r--r-- | public/jsme/7A65B607B90DE29D7EA26AA83BF69D4F.cache.js | 1 |
1 files changed, 1 insertions, 0 deletions
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a,b;for(a=1;42>=a;++a)0<TF(a)?KF[a]=(EC(),JC):(KF[a]=(EC(),OC),MF[a]=Uf);MF[1]=Pe;KF[1]=(EC(),JC);MF[2]=ce;KF[2]=\nOC;MF[3]=me;KF[3]=JC;MF[4]=sf;KF[4]=TC;MF[5]=xf;KF[5]=NC;MF[9]=Ke;KF[9]=QC;MF[10]=ve;KF[10]=QC;MF[11]=le;KF[11]=QC;MF[12]=Xe;KF[12]=QC;MF[8]=Hf;KF[8]=VC(PC);MF[7]=yf;KF[7]=OC;MF[6]=Lf;KF[6]=JC;MF[13]=Jf;KF[13]=JC;MF[32]=Uf;KF[32]=JC;MF[14]=cf;MF[16]=df;MF[15]=uf;MF[17]=Gf;MF[18]=ze;MF[19]=Me;MF[20]=Rd;MF[21]=rf;MF[22]=oe;MF[24]=Mf;MF[23]=de;MF[25]=Vf;MF[26]=vf;MF[27]=Ae;MF[28]=se;MF[29]=Sd;MF[30]=Oe;MF[31]=Xd;for(a=33;42>=a;++a)b=Ef,33<a&&(b+=a-33),MF[a]=b,KF[a]=JC}\nfunction UF(a){var b;if(a.dc)b=VF(a,1)+Fd+VF(a,2)+Fd+VF(a,3);else if(b=VF(a,0),0<b.length){var c=new WF(a.ob);Dm(a.qb.a,c)}return b}function XF(a){var b,c,d;d=!1;if(0<a.ob.v||0<a.ob.w)if(d=!0,0<a.ob.v?(YF(a.ob,a.ob.v),ZF(a,"delAtom",a.ob.v),a.ob.v=0):($F(a.ob,a.ob.w),ZF(a,"delBond",a.ob.v),a.ob.w=0),aG(a.ob),b=bG(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 cG(a,b){var c,d,e,f;dG(a,!1);c=b.a;if(H(c,Fc))nu(UF(a));else if(H(c,Ic))nu(Qt(a,!0,!1));else if(H(c,Nc))nu(Qt(a,!0,!0));else if(H(c,ad))a.Tb&&(c=a.r,null==c.i&&(c.i="PASTE"),ou(a.E,(!a.Ub&&(a.Ub=new pu(a)),a.Ub)));else if(H(c,Oc))a.bg(3);else if(H(c,Pc))a.bg(4);else if(H(c,Uc))a.bg(5);else if(H(c,Vc))rq(6,new eG(a));else if(H(c,Wc))a.kg();else if(H(c,Xc))rq(1,new fG(a));else if(H(c,Aj))7!=a.cb&&(a.db=Lk),d=b.c,d=Nw(d,Kk),c=Ew(d,a.db),e=!Bw(c,Lk)?ww(c):c,!Bw(e,Rk)&&gG(a.ob,P(c)),a.Ib=!0,a.cb=\n7,a.db=d;else if(c==Qf||c==Kf){if(e=hG(a.ob,(iG(),c==Kf?jG:kG)))a.ob.f.a?mu(a,"Chiral flag is set"):mu(a,"No Chiral flag"),lG(a,"changeChiral",a.o,0,0),a.Ib=!0}else if(c==Yd){f=mG(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,lG(a,"changeManyAtomMap",a.o,0,0))}else if(c==Ge){c=a.ob;e=!1;for(d=1;d<=c.p;++d)e=nG(c.b[d])||e;(a.Ib=e)&&lG(a,"deleteAtomMaps",a.o,0,0)}else c==He?(a.Ib=oG(a.ob),a.Ib&&lG(a,"deleteHydrogens",a.o,0,0)):H(c,Gj)||(H(c,xh)?a.hc=!0:pG(a,c));\n(a.Ib||a.Gb)&&a.bf(a.Ec.d)}\nfunction qG(a,b,c,d,e){var f,g,h,j,l,o,m,r;if(!a.Ob&&(j=c-b+1,!(0>=j||b>a.Sb||c>a.Sb))){l=D(rG,nl,-1,99,1);h=m=o=0;for(g=b;g<=c;++g)f=sG(a.zb[g]),o+=f.c,m+=f.d,f.d>h&&(h=f.d),l[g]=f.c,2==d&&(l[g]=f.d);a.J&&(o+=25*(j+1),m+=25*(j+1),h+=25);j=g=1;a.J?r=tG(a):r=uG(a);f=dw(r.b);r=dw(r.a);1==d||3==d?f=~~((f-48)/2):2==d&&(r=~~(r/2));o>=f&&(g=f/o);h>=r&&(j=r/h);h=0;a.J&&(a.xb=g<j?g:j,a.ig("alignMolecules Depict: molecularAreaScale="+a.xb+" xsize="+f+" ysize="+r+ea),h=25*f/o,2==d&&(h=25*r/m));for(g=b;g<=c;++g)2==\nd?l[g]=l[g]*r/m:l[g]=l[g]*f/o;o=-f/2;m=0;1==d?o=-f-24:3==d?o=24:2==d&&(o=0,m=-r);for(g=b;g<=c;++g){a.J&&vG(a.zb[g]);2==d?m+=l[g]/2+h:o+=l[g]/2+h;if(!e)for(b=1;b<=a.zb[g].p;++b)wG(a.zb[g].b[b],o/a.xb,m/a.xb);2==d?m+=l[g]/2:o+=l[g]/2;a.J||xG(a.zb[g])}}}function yG(a,b){var c;a.k=202;a.Mb=!1;mu(a,n);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 zG(a),a.ob.o=0);b&&(!!a.r&&AG(Xp(a.r,"clear"),0,0,0),a.hc=!0)}}\nfunction BG(a){a.Sb=0;a.o=0;a.ob=new zG(a);a.ob.o=0;a.sb=null;a.Ib=!0}\nfunction CG(a,b){var c,d,e,f,g;g=new BD;e=If;d="MOL";f="MOL or SDF";iG();a:{for(c=1;c<=a.Sb;++c)if(0<a.zb[c].p){c=(iG(),iG(),jG);break a}c=(iG(),iG(),kG)}c=c.a?kG:jG;b&&(e="SMIRKS",f=d=Ff);a.Ac&&(f+=" or "+e,!b&&a.zc&&(f+=" or OCL ID code"));e=new uD(ye+e);e.c=Fc;zD(g,e);tD(e,!c.a);xC(e.d,a);e=new uD(ye+d);e.c=Ic;xC(e.d,a);zD(g,e);b||(e=new uD(ye+d+" V3000"),e.c=Nc,xC(e.d,a),zD(g,e),a.$f()&&(a.N&&(e=new uD("Copy as InChI"),e.c=Oc,xC(e.d,a),tD(e,!c.a),zD(g,e)),a.P&&(e=new uD("Copy as InChI key"),e.c=\nPc,xC(e.d,a),tD(e,!c.a),zD(g,e)),a.kc&&(e=new uD("Search chemical structure (through InChIKey)"),e.c=Wc,xC(e.d,a),tD(e,!c.a),zD(g,e)),a.O&&(e=new uD("Copy as InChI auxinfo"),e.c=Uc,xC(e.d,a),tD(e,!c.a),zD(g,e))));a.Ac&&a.Q&&!b&&(e=new uD("Copy as Scalar Vector Graphics"),e.c=Xc,xC(e.d,a),zD(g,e));a.Ac&&a.zc&&!b&&(e=new uD("Copy as OCL ID code"),e.c=Vc,xC(e.d,a),tD(e,!c.a),zD(g,e));a.Tb&&(zD(g,new uD(rb)),d=a.Wb,null==d&&(d="Paste "+f),e=new uD(d),e.c=ad,xC(e.d,a),zD(g,e));xB(a,g);return g}\nfunction DG(a,b,c,d){return new EG(a.cg(!b?null:b.a,P(J(Math.round(c))),P(J(Math.round(d)))))}\nfunction FG(a,b,c,d){var e,f,g,h,j,l,o;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);GG(b,HF);a.Lb?(f==a.k&&GG(b,VC(HF)),HG(b,j,g,a.mb,a.mb),GG(b,(EC(),JC)),IG(b,j,g,a.mb-1,a.mb-1)):f==a.k?JG(b,j+1,g+1,a.mb,a.mb,!1):JG(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(GG(b,(EC(),LC)),f){case 101:GG(b,PC);KG(b,j+3,g+3,a.mb-6,a.mb-6);GG(b,LC);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&&(LG(d,!1),MG(d,NG(d,f,e,h,c)));OG(b,j+6,g+6,a.mb-12,a.mb-12);PG(b.a,P(J(Q((j+9)*(QG(),R)))),P(J(Q((g+9)*R))),P(J(Q(2*R))),P(J(Q(4*R))));HG(b,j+a.mb-10,g+9,2,4);0.04>Math.random()&&(GG(b,NC),PG(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()&&(GG(b,PC),HG(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;RG(b,f,g+a.mb-c,h,g+a.mb/2);RG(b,j+a.mb/2,g+a.mb/2,e,g+a.mb-\nc);l=g+a.mb-c;d=a.mb/24;SG(b.a,P(J(Q((h-d)*(QG(),R)))),P(J(Q(l*R))),P(J(Q((h-2*d)*R))),P(J(Q(l*R))));SG(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))));GG(b,QC);RG(b,f,g+c,h,g+a.mb/2);RG(b,j+a.mb/2,g+a.mb/2,e,g+c);l=g+c;SG(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))));SG(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))));GG(b,LC);break;case 107:GG(b,OC);HG(b,j+4,g+4,a.mb-8,a.mb-8);GG(b,LC);IG(b,j+4,g+4,a.mb-8,a.mb-8);OG(b,j+6,g+6,a.mb-11,a.mb-\n12);PG(b.a,P(J(Q((j+9)*(QG(),R)))),P(J(Q((g+9)*R))),P(J(Q(2*R))),P(J(Q(4*R))));HG(b,j+a.mb-10,g+9,2,4);break;case 108:d=a.mb/4;RG(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;SG(b.a,P(J(Q(j*(QG(),R)))),P(J(Q(f*R))),P(J(Q(c*R))),P(J(Q(f*R))));g+=a.mb/3;a=j-d;SG(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;SG(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),GG(b,SC),TG(b.a,\nP(J(Q(c*(QG(),R)))),P(J(Q(e*R))),P(J(Q(f*R))),P(J(Q(f*R)))),GG(b,KC),h=j+a.mb/2,a=g+a.mb/2,l=c+f,o=g+d,g=o+d,SG(b.a,P(J(Q(c*R))),P(J(Q(g*R))),P(J(Q(h*R))),P(J(Q(o*R)))),SG(b.a,P(J(Q(h*R))),P(J(Q(o*R))),P(J(Q(l*R))),P(J(Q(g*R)))),g=e+f+d,o=g+d,SG(b.a,P(J(Q(c*R))),P(J(Q(g*R))),P(J(Q(h*R))),P(J(Q(o*R)))),SG(b.a,P(J(Q(h*R))),P(J(Q(o*R))),P(J(Q(l*R))),P(J(Q(g*R)))),j+=d,l=j+d,g=e+f,SG(b.a,P(J(Q(l*R))),P(J(Q(e*R))),P(J(Q(j*R))),P(J(Q(a*R)))),SG(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,SG(b.a,P(J(Q(j*R))),P(J(Q(e*R))),P(J(Q(l*R))),P(J(Q(a*R)))),SG(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:UG(b,j,g,a.mb,!0);break;case 111:UG(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;GG(b,SC);VG(b,z(rG,nl,-1,[f,c,e]),z(rG,nl,-1,[h,l,h]),3);f=c;l=h+d/2;h=l+d;VG(b,z(rG,nl,-1,[f,c+d/2,f+d]),z(rG,nl,-1,[h,l,h]),3);a.R=new xD(dw(j),dw(g));break;case 109:RG(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);RG(b,j+a.mb-c,g+a.mb/2,j+a.mb-3*c/2,g+a.mb/2+\nc/2);RG(b,j+a.mb-c,g+a.mb/2,j+a.mb-3*c/2,g+a.mb/2-c/2);break;case 102:GG(b,GC);HG(b,j+3,g+5,a.mb-7,a.mb-11);GG(b,LC);IG(b,j+3,g+5,a.mb-7,a.mb-11);break;case 103:GG(b,HF);a.Mb&&JG(b,j+1,g+1,a.mb,a.mb,!1);GG(b,LC);WG(a,b,j,g,"NEW");break;case 106:GG(b,NC);RG(b,j+7,g+7,j+a.mb-7,g+a.mb-7);RG(b,j+8,g+7,j+a.mb-6,g+a.mb-7);RG(b,j+7,g+a.mb-7,j+a.mb-7,g+7);RG(b,j+8,g+a.mb-7,j+a.mb-6,g+7);GG(b,LC);RG(b,j+c,g+a.mb/2,j+12,g+a.mb/2);WG(a,b,j+6,g,Ef);break;case 104:GG(b,NC);RG(b,j+7,g+7,j+a.mb-7,g+a.mb-7);RG(b,\nj+8,g+7,j+a.mb-6,g+a.mb-7);RG(b,j+7,g+a.mb-7,j+a.mb-7,g+7);RG(b,j+8,g+a.mb-7,j+a.mb-6,g+7);GG(b,LC);break;case 105:a.sc?(GG(b,RC),KG(b,j+3,g+3,a.mb-6,a.mb-6),GG(b,LC)):WG(a,b,j,g,"123");break;case 114:GG(b,TC);d=a.mb-8;f=j+(a.mb-d)/2;c=g+(a.mb-d)/2;PG(b.a,P(J(Q(f*(QG(),R)))),P(J(Q(c*R))),P(J(Q(d*R))),P(J(Q(d*R))));GG(b,LC);XG(a,b,j,g,GC,Wh);break;case 201:RG(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2+2);RG(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2-2);RG(b,j+a.mb-c,g+a.mb/2+2,j+a.mb-c,g+a.mb/2-2);break;case 202:RG(b,\nj+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);break;case 203:RG(b,j+c,g+a.mb/2-2,j+a.mb-c,g+a.mb/2-2);RG(b,j+c,g+a.mb/2+2,j+a.mb-c,g+a.mb/2+2);break;case 204:RG(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);RG(b,j+c,g+a.mb/2-3,j+a.mb-c,g+a.mb/2-3);RG(b,j+c,g+a.mb/2+3,j+a.mb-c,g+a.mb/2+3);break;case 205:SG(b.a,P(J(Q((j+c/2)*(QG(),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))));SG(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))));SG(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:YG(a,b,j,g+2,3);break;case 207:YG(a,b,j,g,4);break;case 208:YG(a,b,j,g,5);break;case 209:YG(a,b,j,g,1);break;case 210:YG(a,b,j,g,6);break;case 211:YG(a,b,j,g,7);break;case 212:YG(a,b,j,g,8);break;case 213:WG(a,b,j,g,"FG"),a.T=new xD(dw(j),dw(g))}else d=ZG(a,f),XG(a,b,j,g,KF[d],MF[d])}\nfunction $G(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<=aH+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 bH(a){var b;b=9;a.cc&&++b;a.Bc&&++b;return b}\nfunction cH(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);GG(b,(EC(),SC));VG(b,z(rG,nl,-1,[f,c,f]),z(rG,nl,-1,[e,d,a]),3)}\nfunction dH(a){var b,c,d,e,f;a.ig("drawMolecularArea mustReDrawMolecularArea="+a.Ib+ea);if(a.Ib){if(a.r&&null!=a.r.a&&a.r.a!=yk&&a.r.a!=wj)for(b=1;b<=a.Sb;++b)aG(a.zb[b]);eH(a.vb.b.a,a.xb/R);e=a.vb.b;c=a.yb;b=a.ub;a.ig("drawMolecularArea "+c+" : "+b+" scale: "+a.xb+ea);GG(e,a.D);c/=a.xb;b/=a.xb;PG(e.a,P(J(Q(0*(QG(),R)))),P(J(Q(0*R))),P(J(Q(c*R))),P(J(Q(b*R))));d=a.tb?(ED(),HD):(ED(),JD);f=(ED(),FD);var g=e.a;if(f==(ED(),FD))d==HD?g.b=n:g.b=Qj;d=new BC(a.wb);e.d=new BC(R*d.e);fH(e.a,e.d);for(d=1;d<=\na.Sb;++d){f=a.zb[d];var g=e,h=void 0,j=void 0,l=void 0,o=void 0,m=void 0,r=void 0,t=o=o=void 0,y=j=t=void 0,v=y=o=void 0,s=m=v=r=h=v=void 0,A=void 0,F=void 0,M=m=void 0,N=l=m=v=t=h=j=v=j=s=t=h=F=y=h=void 0,l=M=r=M=s=r=t=o=N=l=o=t=t=void 0,y=h=1;g.c=f.k.D;f.k.L&&(GG(g,(EC(),LC)),IG(g,0,0,f.k.M.b-1,f.k.M.a-1));if(0!=f.p){f.y&&(A=g,o=f.y,A.b=o,A.f=A.a.e,gH(A.a,o));f.s&&(vG(f),qG(f.k,1,f.k.Sb,0,!1),f.s=!1);hH(f.k,f.k.x);if(-1==f.i){for(A=1;A<=f.p;++A)o=f.b[A].c,0<o&&7>o&&(GG(g,(FF(),NF)[o]),KG(g,f.b[A].q-\n12,f.b[A].r-12,24,24));for(A=1;A<=f.q;++A)l=f.c[A].i,m=f.c[A].j,0!=f.b[l].c&&f.b[l].c==f.b[m].c&&(GG(g,(FF(),NF)[f.b[l].c]),v=f.b[m].q-f.b[l].q,h=f.b[m].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,o=iH(4),r=iH(4),o[0]=f.b[l].q+v,r[0]=f.b[l].r-t,o[1]=f.b[m].q+v,r[1]=f.b[m].r-t,o[2]=f.b[m].q-v,r[2]=f.b[m].r+t,o[3]=f.b[l].q-v,r[3]=f.b[l].r+t,VG(g,o,r,4))}for(A=1;A<=f.q;++A){GG(g,(EC(),KC));t=f.c[A];l=t.i;m=t.j;1==f.i&&0!=f.b[l].c&&f.b[l].c==f.b[m].c&&GG(g,(FF(),NF)[f.b[l].c]);if(3==\nt.f||4==t.f)o=l,l=m,m=o;o=f.b[l].q;r=f.b[l].r;N=f.b[m].q;M=f.b[m].r;if(1!=t.c||0!=t.f)v=N-o,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&&GG(g,QC);v=2*h;t=2*y;SG(g.a,P(J(Q((o+v)*(QG(),R)))),P(J(Q((r-t)*R))),P(J(Q((N+v)*R))),P(J(Q((M-t)*R))));SG(g.a,P(J(Q((o-v)*R))),P(J(Q((r+t)*R))),P(J(Q((N-v)*R))),P(J(Q((M+t)*R))));GG(g,LC);break;case 3:SG(g.a,P(J(Q(o*(QG(),R)))),P(J(Q(r*R))),P(J(Q(N*R))),P(J(Q(M*R))));l=3*h;m=3*y;SG(g.a,P(J(Q((o+l)*R))),P(J(Q((r-m)*R))),P(J(Q((N+l)*\nR))),P(J(Q((M-m)*R))));SG(g.a,P(J(Q((o-l)*R))),P(J(Q((r+m)*R))),P(J(Q((N-l)*R))),P(J(Q((M+m)*R))));break;case 9:case 0:for(m=0;10>m;++m)l=o-(o-N)/10*m,s=r-(r-M)/10*m,SG(g.a,P(J(Q(l*(QG(),R)))),P(J(Q(s*R))),P(J(Q(l*R))),P(J(Q(s*R))));jH(g,f.k.v);m=kH(f.k.w);t=t.d;l=Gd;null!=t&&(l=t);t=LD(f.k.w,l);t=(o+N)/2-t/2;M=(r+M)/2+~~(m/2)-1;GG(g,QC);lH(g.a,l,P(J(Q(t*(QG(),R)))),P(J(Q(M*R))));GG(g,LC);break;default:if(1==t.f||3==t.f)v=3*h,t=3*y,s=iH(3),j=iH(3),s[0]=N+v,j[0]=M-t,s[1]=o,j[1]=r,s[2]=N-v,j[2]=M+t,\nVG(g,s,j,3);else if(2==t.f||4==t.f){v=3*h;t=3*y;for(m=0;10>m;++m)l=o-(o-N)/10*m,s=r-(r-M)/10*m,j=m/10,SG(g.a,P(J(Q((l+v*j)*(QG(),R)))),P(J(Q((s-t*j)*R))),P(J(Q((l-v*j)*R))),P(J(Q((s+t*j)*R))))}else SG(g.a,P(J(Q(o*(QG(),R)))),P(J(Q(r*R))),P(J(Q(N*R))),P(J(Q(M*R))))}}y=iH(f.p+1);h=iH(f.p+1);for(A=1;A<=f.q;++A)l=f.c[A].i,m=f.c[A].j,o=f.b[l].q,r=f.b[m].q,++h[l],++h[m],y[l]=y[l]/h[l]+r/h[l],y[m]=y[m]/h[m]+o/h[m];jH(g,f.k.v);m=kH(f.k.w);N=iH(f.p+1);r=iH(f.p+1);o=D(mH,u,121,f.p+1,0);for(A=1;A<=f.p;++A)l=\nnH(f,A),(null==l||1>l.length)&&(l=ib),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]=LD(f.k.w,l),o[A]=oH(f,A,N[A],N[A],m,!1)):(M=y[A]<f.b[A].q,v=!0,1<h[A]&&8.333333333333334>pH(y[A]-f.b[A].q)&&(v=!1),2<h[A]&&(v=!1),1==h[A]&&2.5>pH(y[A]-f.b[A].q)&&(M=!0),t=l,s=n,f.k.oc&&(F=f.b[A].i,0<F&&(s+=Pe,1<F&&(s+=F))),F=n,0!=j.d&&(F=Wf+j.d+cg),j=n,0!=f.b[A].n&&(1<qH(f.b[A].n)&&(j+=qH(f.b[A].n)),0<f.b[A].n?j+=jb:j+=rb),M||!v?l=F+l+s+j+n:l=j+s+n+F+l,v||(t=l),t=LD(f.k.w,t),v=\nLD(f.k.w,l),N[A]=t,r[A]=v,v=o[A]=oH(f,A,t,v,m,M),t=v.c+2+1,M=v.d+m+2,GG(g,g.c),-1==f.i&&0!=f.b[A].c&&GG(g,(FF(),NF)[f.b[A].c]),HG(g,v.c,v.d,v.b,v.a),1==f.i?0!=f.b[A].c?GG(g,(FF(),NF)[f.b[A].c]):GG(g,(EC(),LC)):GG(g,(FF(),KF)[f.b[A].a]),lH(g.a,l,P(J(Q(t*(QG(),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+~~(m/2)-1,GG(g,(EC(),QC)),rH(g,ga+(-99199!=h.f?h.f:0),t+v,M));if(0<f.v||0<f.w)if(GG(g,104==f.k.k?(EC(),NC):(EC(),TC)),0<f.v&&106!=f.k.k&&(v=\no[f.v],IG(g,v.c,v.d,v.b,v.a)),0<f.w&&(l=f.c[f.w].i,m=f.c[f.w].j,v=f.b[m].q-f.b[l].q,h=f.b[m].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=iH(5),j=iH(5),s[0]=f.b[l].q+v,s[1]=f.b[m].q+v,j[0]=f.b[l].r-t,j[1]=f.b[m].r-t,s[3]=f.b[l].q-v,s[2]=f.b[m].q-v,j[3]=f.b[l].r+t,j[2]=f.b[m].r+t,s[4]=s[0],j[4]=j[0],106!=f.k.k&&sH(g,s,j,5),106==f.k.k&&tH(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;GG(g,(EC(),NC));\nfor(A=1;A<=f.p;++A)0<f.a[A]&&(v=o[A],IG(g,v.c,v.d,v.b,v.a))}f.y&&(g.b=null,gH(g.a,g.f))}}a.dc&&(d=(c-48)/2,GG(e,(EC(),QC)),SG(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)))),SG(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)))),SG(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 oD(Ue,0,13),a.kb=BB(a.hb),null!=a.sb&&(d=LD(a.kb,a.sb),d=(c-d)/2,f=b-13,GG(e,(EC(),LC)),jH(e,a.hb),rH(e,a.sb,d,f)));a.J&&a.nc&&cH(a,e,\nc,b,0.6/a.xb);b=P(J(Q(uH(a,a.nb))));c=P(J(Q(vH(a,a.nb))));wH(a.Ec,a.vb.a,b,c);a.Ib=!1;if(a.hc){oE();c=new xH;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 WF(d);else break;c.i=a.dc;c.e=a.Fb;c.b=a.xb;c.c=a.cb;e=a.pb;b=new yH(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&&bF(a.Qb,null),a.r&&null!=a.r.a&&a.eg(),zH(a.r),a.Mb&&(a.Mb=!1,a.Kb=!0,a.bf(a.Ec.d)))}}function AH(a){a.Ib=!0;a.vb?(dH(a),a.Ib=!1):qF(a)}\nfunction YG(a,b,c,d,e){var f,g,h,j,l;f=a.mb/4;g=!1;j=D(rG,nl,-1,9,1);l=D(rG,nl,-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);sH(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);RG(b,j[0],l[0],j[1],l[1]);RG(b,j[2],l[2],j[3],l[3]);RG(b,j[4],l[4],j[5],l[5])}}\nfunction UG(a,b,c,d,e){var f,g,h,j,l,o,m,r;l=d/4;c-=1;o=2+l/2;g=2+l;r=c+10*d/24;j=r+l;m=b+d;e?(h=2+b,f=o+b,g+=b):(f=m-o,h=m-2,g=m-g);SG(a.a,P(J(Q(h*(QG(),R)))),P(J(Q(r*R))),P(J(Q(f*R))),P(J(Q(j*R))));SG(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;SG(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-o-4;c=c+o-h;d=d-4-h-1;j=270;e?(b+=o,e=270):(b=m-f-o,j*=-1,e=-90);BH(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 mG(a){var b,c,d;b=-99999;for(d=1;d<=a.Sb;++d)c=a.zb[d],c=CH(c),c>b&&(b=c);return b}\nfunction DH(a,b,c,d){var e=OF?350:170,f,g,h,j;EH(d);b=FH(a,b);c=FH(a,c);h=e;for(g=1;g<=a.Sb;++g){j=new GH(e);f=a.zb[g];for(var l=b,o=c,m=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=m.a,A=1;A<=f.q;++A)r=HH(l,o,f.c[A].a,f.c[A].b),r<F&&(F=r,s=A);s*=-1;for(A=1;A<=f.p;++A)r=HH(l,o,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,$=o-y,y=r*\nr+v*v,t=N*N+$*$,M=HH(N,$,r,v),t+M>y+F||(r=N*r+$*v,0>r||(y=Math.sqrt(y),t=Math.sqrt(t),r/=y*t,1<=r||(r=1.5707963267948966-Math.acos(r),r=t*Math.cos(r),r*=r,r<F&&(s=-A,F=r))));m.a=F;f=s;j.a<h&&(h=j.a,EH(d),d.c=g,0<f?d.a=f:d.b=-f)}}function tG(a){var b;(0>=a.yb||0>=a.ub)&&(!a.M&&(a.M=nC(a)),IH(a,a.M));b=new JH;b.b=a.yb;b.a=a.ub;return b}function uG(a){var b;b=tG(a);b.b/=a.xb;b.a/=a.xb;return b}\nfunction KH(a,b,c,d){var e,f;if(!b||LH(b)){if((e=0<a.ob.v||0<a.ob.w)&&(104==a.k||106==a.k))return!0;if(e&&!a.J){a.xc&&(f=a.xc,f.k==a&&(f.k=null,wm(a.Uc,f)));f=a.ob;var g,b=new BD;e=a.Rb||a.A||a.dc;f.f.a?g=new uD(Qf):g=new uD(Kf);tD(g,MH(f));zD(b,g);xC(g.d,a);if(e&&0<f.v){g=new uD(ue);xC(g.d,a.Y);var h=a.Y;h.d=null;h.e=h.a=0;a.Y.a=f.v;a.Y.d=f;a.Y.e=a.o;zD(b,g)}g=new uD(He);a:{for(h=f.p;1<=h;--h)if(1==f.b[h].a){h=!0;break a}h=!1}tD(g,h);zD(b,g);xC(g.d,a);e&&(e=new uD(Yd),xC(e.d,a),zD(b,e),e=new uD(Ge),\nxC(e.d,a),zD(b,e),tD(e,0<CH(f)));a.xc=b;xB(a,a.xc);NH(a.xc.a,a,c,d)}else a.dc?f=(a.G=CG(a,!0),a.G):f=(a.F=CG(a,!1),a.F),LH(b)||(c=dw(c*a.nb+0.5),d=dw(d*a.nb+0.5)),NH(f.a,a,c,d);d=new lu(null,0,OH(0));PH(a,d,0,0);return!0}return!1}\nfunction QH(a,b){var c;if(0==a.ob.p)return!1;c=null;switch(b){case 102:1<a.Sb?c="Delete selected molecule (red)":c="Clear canvas";var d=(EC(),MC);a.ob.y=d;a.yc=a.ob;break;case 109:c="Copy selected (blue) molecule to the other side of the reaction",d=(EC(),SC),a.ob.y=d,a.yc=a.ob}null!=c?(mu(a,c),a.Ib=!0,a.Kb=!0):(a.Ib=!1,a.Kb=!1);return null!=c}\nfunction RH(a,b){var c;if(a.yc&&(102==b||a.dc&&109==b)){a.yc.y=null;a.yc=null;for(c=1;c<=a.Sb;++c)a.zb[c].y=null;mu(a,n);a.Ib=!0;a.Kb=!0}else a.Ib=!1,a.Kb=!1;return a.Ib}\nfunction SH(a,b,c,d){var e,f,b=new TH(b);e=null;f=!1;oF(a.r,Pd);mu(a,n);if(b.f==(UH(),VH)&&b.c){var g=b.c;b.a=g.a;b.f=g.f;b.i=g.i;b.e=g.e;b.c=g.c;b.b=g.b}b.a==(WH(),XH)&&b.i!=(YH(),ZH)?$H(a,b.b,d)||(e="Invalid V2000 molfile"):b.a==aI?bI(a,b.b,d)||(e="Invalid JME string"):b.a==cI?e="Reading "+b.f+ma:a.Ac&&(f=!0,rq(1,new dI(a,b,c,d)));f||(a.Ib=null==e,c?null==e?eI(c):fI(c,new Dp(e)):null!=e&&(mu(a,Je+e),a.bf(a.Ec.d)))}\nfunction $H(a,b,c){var d,e,f,g,h,j;mu(a,n);if(0==b.indexOf(La)){a.Sb=0;a.dc=!0;a.Fb=!0;d=gI(b);h=new WE(b,d,!0);b=n;for(e=1;5>=e;++e)b=hI(h,d);e=OH(DE(oy(b.substr(0,3)),10)).a;g=OH(DE(oy(b.substr(3,3)),10)).a;hI(h,d);for(b=1;b<=e+g;++b){for(f=n;!(j=hI(h,d),null==j||H(j,"$MOL"));)f+=j+d;a.zb[++a.Sb]=new iI(a,f)}a.xb=1;qG(a,1,e,1,!1);qG(a,e+1,e+g,3,!1);d="readRXNFile"}else{(a.J||a.Vb)&&(a.dc=!1);a.ob=new iI(a,b);if(!a.ob||0==a.ob.p)return!a.ob&&(mu(a,"ERROR - problems in reading/processing MOL input"),\na.bf(a.Ec.d)),!!a.ob;d=(a.dc||a.Fb)&&a.p||a.Mb;null!=a.t&&a.ob&&jI(a.ob,a.t,!0);null!=a.u&&a.ob&&jI(a.ob,a.u,!1);d||(a.Sb=0,a.xb=1);h=kI(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 lI(a,a.ob,b)}d?a.o=a.Sb:a.o=1;a.ob=a.zb[a.o];a.J?qG(a,1,1,0,!0):qG(a,1,h,0,!d);d=uj}mI(a);null!=d&&(oF(a.r,Pd),a.r&&AG(Xp(a.r,d),0,0,0),a.hc=!0);a.Ib=!0;c&&a.bf(a.Ec.d);return!0}function mu(a,b){null==b&&(b=n);a.Gb=!0;a.X=b;a.ig("info: "+b)}\nfunction hH(a,b){var c;c=Math.round(b);100>c&&(!PF[c]&&(PF[c]=new oD(Ue,0,c)),!RF[c]&&nq(RF,c,BB(PF[c])),a.v=PF[c],a.w=RF[c])}function LH(a){var b;if(!a)return!1;b=a.tf();a=0!=(a.e&2);return b||a}function uH(a,b){return(a.mb+(a.Lb?1:0))*b}function ZG(a,b){var c,d;d=-1;for(c=0;c<JF.length;c+=2)if(JF[c]==b){d=JF[c+1];break}32==d&&!a.Bc&&a.cc&&(d=33);return d}\nfunction tu(a,b){var c,d,e;if(0==b)return!1;dG(a,!1);d=!1;c=a.k;a.k=b;if(300>=b)switch(a.Kb=!0,a.Hb=!0,mu(a,n),b){case 102:yG(a,!0);RH(a,102);QH(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):mu(a,"No more undo");if(!(a.pb.a!=a.pb.b&&a.pb.a.b!=a.pb.b))break;nI(a,oI(a.pb));a.r&&AG(Xp(a.r,yk),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{mu(a,"No more redo");break}if(!a.pb.a.c)break;e=a.pb;\nif(!e.a.c)throw new yy("Cannot redo. Index is out of range.");if(!e.a.c)throw new yy($e);e.a=e.a.c;nI(a,e.a.a);a.r&&AG(Xp(a.r,wj),0,0,0);a.hc=!0;a.hc=!1;a.Ib=!0;break;case 214:KH(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=pI(a.jc);break;case 151:e=qI(a.jc);break;case 154:e=a.jc;e.a=e.c;e=pI(e);break;case 153:e=a.jc,e.a=-1,e=qI(e)}null==e?mu(a,"No more molecules in SDF buffer"):(BG(a),a.Vb=!0,rI(a,e,!1),a.Vb=!1,H(a.X,n)&&(mu(a,"MOL n. "+(a.jc.a+\n1)+" of "+a.jc.c),d=!0,a.r&&AG(Xp(a.r,"SDFstack"),0,0,0),a.hc=!0,a.hc=!1));break;case 101:rq(4,new sI(a));a.k=c;break;case 107:rq(2,new tI(a));break;case 114:rq(3,new uI(a));a.k=c;break;case 103:a.Mb=!0;a.k=c;break;case 105:a.A&&a.Bb&&(a.Bb=!1,vI(a.ob),a.Ib=!0,a.r&&AG(Xp(a.r,yg),0,0,0),d=a.hc=!0,a.k=c);a.I=1;break;case 109:a.k=c;e=wI(a.ob);if(2==e){mu(a,"Copying the agent not possible !");break}d=sG(a.ob);a.Ib=!0;a.ob=new WF(a.ob);d=dw((a.M.b-a.mb)/2-d.a);for(e=1;e<=a.ob.p;++e)wG(a.ob.b[e],2*d/a.xb,\n0/a.xb);a.zb[++a.Sb]=a.ob;a.o=a.Sb;a.r&&AG(Xp(a.r,"reactionCopy"),0,0,0);d=a.hc=!0;RH(a,109);QH(a,109);break;case 104:d=XF(a);break;case 213:a.k=c;if(!a.S){var f,g,h,j,l;l=new BD;for(f=a.U,g=0,h=f.length;g<h;++g)e=f[g],j=new uD(e),zD(l,j),j.c=e,xC(j.d,a);xB(a,l);a.S=l}f=a.T.b;e=dw(a.T.a*a.nb+0.5);f=dw(f*a.nb+0.5);NH(a.S.a,a,e,f);break;case 108:0<a.ob.v&&xI(a.ob,a.ob.v,0)&&(ZF(a,Rg,a.ob.v),d=!0)}else a.Hb=!0,a.Kb=!0,a.n=ZG(a,b),32==a.n&&rq(5,new yI(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?(zI(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,ZF(a,Mj+a.n,a.ob.v),d=!0):32==a.n&&(d=Uq((qu(),ru).Tc.a.pb,Ak),AI(a.ob,a.ob.v,d),ZF(a,Mj+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,BI(a.ob),d=!0,lG(a,kg,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,CI(d,d.v,0),lG(a,hg,a.o,0,a.ob.w),d=!0;else{d=1;e=Oj;switch(a.k){case 203:d=2;e=Nj;break;case 204:d=3,e=Pj}a.ob.c[a.ob.w].c=d;lG(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.bf(a.Ec.d);return!0}\nfunction Qt(a,b,c){var d=null,e;null==d&&(d=UF(a));e=n;if(a.dc){var f,g,h;h=Yv([DI,B],[am,q],[87,-1],[4,a.Sb+1],0,2,1);for(g=1;3>=g;++g){f=0;for(c=1;c<=a.Sb;++c)wI(a.zb[c])==g&&(h[g][++f]=c);h[g][0]=f}e+=Oa;e+=EI(h[1][0],3)+EI(h[3][0],3)+ea;for(c=1;c<=h[1][0];++c)e+=Ja+FI(a.zb[h[1][c]],d,b);for(c=1;c<=h[3][0];++c)e+=Ja+FI(a.zb[h[3][c]],d,b)}else{1<a.Sb&&(a.ob=new GI(a,a.zb,a.Sb));if(c){e=a.ob;var j,l,d=HI(e,d,b,!0),d=d+("M V30 BEGIN CTAB"+(FF(),ea)),d=d+("M V30 COUNTS "+e.p+ga+e.q+" 0 0 "+(e.f.a&&\nMH(e)?1:0)+ea),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+=nf,g=nH(e,b),d+=b+ga+g,g=II(e.b[b]),d+=ga+JI(0.055999999999999994*(e.b[b].q-c),0,4)+ga+JI(0.055999999999999994*(f-e.b[b].r),0,4)+ga+JI(0,0,4)+ga+g,0!=e.b[b].n&&(d+=" CHG="+e.b[b].n),d+=ea;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+=nf+b,j=f,1==c.c?j=1:2==c.c&&(j=2),g=c.i+ga+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+ga+c.i),1==f&&4==c.f&&(l=3,g=c.j+ga+c.i),d+=ga+j+ga+g,0!=l&&(d+=" CFG="+l),d+=ea;d+="M V30 END BOND\\n";c=new Jm;g=new Jm;f=new Jm;for(b=0;10>b;++b)nq(g.b,g.c++,null),nq(f.b,f.c++,null);for(b=1;b<=e.p;++b)j=e.b[b].b,null==j||0==j.length||(H(j,fg)?Dm(c,new uC(b)):0==j.indexOf("mix")?(j=DE(py(j,3),10),l=null,f.c>j&&(l=(eD(j,f.c),f.b[j])),null==l?h=new Jm:h=l,Dm(h,new uC(b)),kD(f,j,h)):0==j.indexOf(aj)&&(j=DE(py(j,2),10),l=null,g.c>j&&(l=\n(eD(j,g.c),g.b[j])),null==l?h=new Jm:h=l,Dm(h,new uC(b)),kD(g,j,h)));d+=KI(of,c);if(0<g.c)for(b=1;b<g.c;++b)d+=KI(qf+b,(eD(b,g.c),g.b[b]));if(0<f.c)for(b=1;b<f.c;++b)d+=KI(pf+b,(eD(b,f.c),f.b[b]));e=d=d+"M V30 END CTAB\\n"+gf}else e=FI(a.ob,d,b);1<a.Sb&&(a.ob=a.zb[a.o])}return e}\nfunction LI(a,b,c,d){var e;a.Ab=!1;if(KH(a,b,c,d))return a.Ab=!0,a.Db=!1,!0;e=!0;a.Cc=c-P(J(Q(uH(a,a.nb))));a.Dc=d-P(J(Q(vH(a,a.nb))));mu(a,n);a.Bb=MI(b);a.Db=!1;if(!a.J&&(c<P(J(Q(uH(a,a.nb))))||d<P(J(Q(vH(a,a.nb)))))){e=$G(a,c,d);if(112==e)return a.rc=!0,mu(a,"Next ring will be added as spiro"),qF(a),a.Ab=!0;if(113==e)if(a.lc)mu(a,"Move one atom"),qF(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=tu(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=FH(a,b);f=FH(a,f);j=1.7976931348623157E308;for(h=1;h<=a.Sb;++h){g=a.zb[h];for(var o=void 0,m=void 0,r=void 0,m=1.7976931348623157E308,o=1;o<=g.p;++o)r=HH(b,f,g.b[o].q,g.b[o].r),r<m&&(m=r);g=m;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&&(iG(),null!=a.b[Vd]?jG:kG).a)if(NI(a,a.o,a.ob.v,0,Vd),a.J&&!a.K)return!0;if(0<a.ob.w&&(iG(),null!=a.b[fe]?jG:kG).a)if(NI(a,\na.o,0,a.ob.w,fe),a.J&&!a.K)return!0;a.Db=!0;c=dw(c-a.mb);d-=P(J(Q(vH(a,a.nb))));if(0<a.ob.v)if(a.eb.c=a.o,104==a.k)XF(a);else{if(106==a.k)return!0;if(108==a.k)xI(a.ob,a.ob.v,0)&&ZF(a,Rg,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,CI(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,lG(a,hg,a.o,0,a.ob.w),a.hc=!1):lG(a,hg,a.o,0,a.ob.w);else if(206<=a.k&&229>=a.k)a.cb=2,BI(a.ob),ZF(a,jg,a.ob.v);else if(230==a.k)a.cb=3,ZF(a,lg,a.ob.v);\nelse if(233<=a.k&&262>a.k)OI(a.ob,!1),ZF(a,ig,a.ob.v),a.cb=3;else if(107==a.k){if(a.bc.b)return!0;AI(a.ob,a.ob.v,Uq(a.bc.e.Tc.a.pb,Ak));a.ob.j=!0;ZF(a,"addAtomQuery",a.ob.v)}else if(105==a.k)(c=PI(a.ob))?ZF(a,"markAtom",a.ob.v):ZF(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)zI(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=Uq((qu(),ru).Tc.a.pb,Ak),1>c.length&&(c=Uf),AI(a.ob,a.ob.v,c)),ZF(a,Mj+a.n,a.ob.v)}else e=!1}else if(0<\na.ob.w)if(a.eb.c=a.o,104==a.k)XF(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])mu(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;YF(c,d);c.a[d]=0}aG(a.ob);lG(a,"delBondGroup",a.o,0,a.ob.w);a.ob.w=0}else if(201==a.k)QI(a.ob,a.ob.w),lG(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,lG(a,Nj,a.o,0,a.ob.w)):(a.ob.c[a.ob.w].c=1,a.ob.c[a.ob.w].f=\n0,lG(a,Oj,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,aG(a.ob),lG(a,Nj,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,aG(a.ob),lG(a,Pj,a.o,0,a.ob.w);else if(206<=a.k&&229>=a.k)a.cb=2,BI(a.ob),lG(a,kg,a.o,0,a.ob.w),aG(a.ob);else if(107==a.k){if(!a.bc.b)return!0;c=Uq(a.bc.e.Tc.a.pb,Ak);a.ob.c[a.ob.w].c=9;a.ob.c[a.ob.w].d=c;lG(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?lG(a,"markBond",a.o,0,a.ob.w):lG(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 zG(a);a.ob=a.zb[a.Sb];a.eb.c=a.o;202<=a.k&&204>=a.k||205==a.k?(RI(a.ob,null),a.ob.q=0,SI(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,a.ob.x=1,a.cb=1,b=a.ob,CI(b,b.v,0),205==a.k?(SI(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,lG(a,"addChain",a.o,0,a.ob.w)):lG(a,\nhg,a.o,0,a.ob.w)):206<=a.k&&229>=a.k?(a.ob.z=FH(a,c),a.ob.A=FH(a,d),a.cb=2,BI(a.ob),a.r&&AG(Xp(a.r,jg),0,0,0),a.hc=!0):300<a.k?(RI(a.ob,null),zI(a.ob,1,a.n),a.ob.q=0,SI(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,32==a.n&&(c=Uq((qu(),ru).Tc.a.pb,Ak),1>c.length&&(c=Uf),AI(a.ob,1,c)),ZF(a,"addAtom",a.ob.v)):230==a.k?(bI(a,null,!0),a.r&&AG(Xp(a.r,lg),0,0,0),a.hc=!0):233<=a.k&&262>a.k?(RI(a.ob,null),a.ob.q=0,SI(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,OI(a.ob,!0),a.r&&AG(Xp(a.r,ig),0,0,0),a.hc=!0):oE()}else e=!1;e&&TI(a)}return a.Ab=\ne}\nfunction UI(a,b,c,d){var e,f,g,h;oE();if(!a.Db||VI(b))return!0;a.Gb=!1;c-=P(J(Q(uH(a,a.nb))));d-=P(J(Q(vH(a,a.nb))));f=FH(a,c-a.Cc);g=FH(a,d-a.Dc);e=FH(a,c);h=FH(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?EH(j):DH(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))SI(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,o,m,r;f.v=0;WI(f.b[0],e,h);g=XI(f,0,1,f.p);if(0<g&&205!=f.k.k)f.v=g,g!=f.x?SI(f,f.p,f.b[g].q,f.b[g].r):SI(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;o=g/2/Math.tan(0.5235987755982988);m=e-f.b[l].q;r=h-f.b[l].r;l=-g/2+m*j+r*b;b=r*j-m*b;if(0>l)if(1<f.r)YF(f,f.p),ZF(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&&(o=f.b[f.e[0]].p[1],o==f.e[1]&&(o=f.b[f.e[0]].p[2]),j=f.b[f.e[0]].q-f.b[o].q,b=f.b[f.e[0]].r-f.b[o].r,g=Math.sqrt(j*j+b*b),1>g&&(g=1),b/=g,j/=g,m=e-f.b[o].q,r=h-f.b[o].r,e=r*j-m*b,m=f.b[f.e[1]].q-f.b[o].q,r=f.b[f.e[1]].r-f.b[o].r,h=r*j-m*b,0<e&&0>h||0>e&&0<h))e=f.q,f.v=f.e[0],CI(f,f.v,0),$F(f,e),0<XI(f,f.p,1,f.p)&&\n(f.u=!0)}else{if(f.u)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*o/(1.5*g));if((0>=b?0-b:b)>e){++f.r;if(100<f.r){YI(f.k,"You are too focused on chains, enough of it for now !");--f.r;break a}f.v=f.p;e=P(J(Math.round(b)));CI(f,f.v,e);e=f.k;lG(e,hg,e.o,0,e.ob.w);f.k.hc=!1;f.e[f.r]=f.p;0<XI(f,f.p,1,f.p)&&(f.u=!0)}}f.v=0;e=f.r;mu(f.k,e+n)}else j=e-f.b[f.x].q,b=h-f.b[f.x].r,g=Math.sqrt(j*j+b*b),1>g&&(g=1),SI(f,f.p,f.b[f.x].q+25*(j/g),f.b[f.x].r+25*(b/g))}a.B=!0}else if(113==a.k&&0<a.ob.v)a.Eb||(a.Eb=!0),SI(a.ob,\na.ob.v,e,h);else if(MI(b)||VI(b))gG(a.ob,f),a.cb=5;else if(0==a.ob.v&&0==a.ob.w&&!((0>c||0>d||d>a.ub||c>a.yb)&&5!=a.cb))e=uG(a),h=a.ob,j=sG(h),b=j.a,j=j.b,0>f&&b<e.c||0<f&&b>e.b||0>g&&j<e.d||0<g&&j>e.a||ZI(h,f,g),a.cb=5;dG(a,!1);a.Ib=!0;qF(a);a.Cc=c;a.Dc=d;return!0}\nfunction PH(a,b,c,d){var e,f;if(!a.J||a._f().a||a.ag().a||a.K)if(f=!1,e=$G(a,c,d),e!=a.Cb&&(f|=RH(a,a.Cb),f|=QH(a,e),a.Cb=e),!LH(b)){c-=P(J(Q(uH(a,a.nb))));d-=P(J(Q(vH(a,a.nb))));b=c;c=a.Nb;0>b||0>d||d>a.ub||b>a.yb?EH(c):DH(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._f().a&&(e=$I(a,e,a.$b),-1!=e&&(a.$b=e,null!=a.Pb&&bF(a.Pb,z(aJ,u,100,[new uC(a.o),new uC(e)])),a.fg(a.o,e))),e=a.Nb.b,a.ag().a&&(e=$I(a,e,a._b),-1!=e&&(a._b=e,a.hg(a.o,e))),e=a.eb,d=a.Nb,e.c=d.c,e.a=d.a,e.b=d.b;f&&(dG(a,!1),a.Ib=!0,a.bf(a.Ec.d))}}\nfunction bJ(a){var b,c,d,e,f;d=!1;if(a.J&&!a.K)return a.vc&&(cJ(a,Pi,!0),a.e&&(a=a.e,a.b.a.apply(null,[dJ(a.a)]))),!0;a.Eb&&(a.Eb=!1,xG(a.ob),d=a.hc=!0);a.Gb=!1;a.db=Lk;if(1==a.cb){if(205==a.k)d=a.ob,d.u&&(e=XI(d,d.p,1,d.p),6>d.b[e].j&&(eJ(d,null),b=d.e[d.r-1],d.c[d.q].i=e,d.c[d.q].j=b,fJ(d.b[e],b),fJ(d.b[e],b)),YF(d,d.p)),d.u=!1,a.hc=!0;else if(0!=a.eb.c&&a.o!=a.eb.c){YF(a.ob,a.ob.p);b=a.ob.x;c=a.eb.a+a.ob.p;e=a.zb[a.eb.c];d=new GI(a,z(gJ,u,120,[null,a.ob,e]),2);d.b[0]=new hJ;iJ(d,b,c,1);b=D(gJ,\nu,120,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;EH(a.eb)}else d=a.ob,e=XI(d,d.p,1,d.p),0!=e&&(--d.p,b=jJ(d,e,d.x),0!=b?(--d.q,kJ(d,d.x),3>d.c[b].c?(++d.c[b].c,d.c[b].f=0):mu(d.k,"Maximum allowed bond order is 3 !")):6==d.b[e].j?(--d.q,kJ(d,d.x),mu(d.k,"Not possible connection !")):(d.c[d.q].j=e,kJ(d,d.x),b=d.x,fJ(d.b[e],b),fJ(d.b[b],e),lJ(d.c[d.q],d.b)));xG(a.ob);a.B&&(d=a.pb,d.a!=d.b&&d.a.b!=d.b&&(e=d.a.c,oI(d),d.a.c=e),\nlG(a,hg,a.o,0,a.ob.w),a.B=!1);d=!0}else 5==a.cb&&(xG(a.ob),d=a.hc=!0);0<a.cb&&(dG(a,!1),a.Ib=!0,qF(a),a.cb=0,a.q=!1,d=!0);if(OF&&(0!=a.ob.w||0!=a.ob.v))a.ob.w=0,a.ob.v=0,dG(a,!1),a.Ib=!0,qF(a),d=!0;a.vc&&!a.Ab&&!d&&(a.J?cJ(a,Pi,!0):cJ(a,lh,!0),a.e&&(a=a.e,a.b.a.apply(null,[dJ(a.a)])),d=!0);return d}function dG(a,b){a.Hb=b;a.Kb=b;a.Ib=b;a.Gb=b;a.Jb=b}function $I(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 cJ(a,b,c){var d,e,b=b.toLowerCase();(e=mJ(a,b,"rbutton"))&&(a.cc=e.a);(e=mJ(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=mJ(a,b,"query"))&&(a.ac=e.a);(e=mJ(a,b,"reaction"))&&(a.dc=e.a);(e=mJ(a,b,"autoez"))&&(a.z=e.a);(e=mJ(a,b,"stereo"))&&(a.tc=e.a);(e=mJ(a,b,"canonize"))&&(a.C=e.a);(e=mJ(a,b,Li))&&(a.Fb=e.a);if((e=(iG(),mJ(a,b,yg)?jG:kG)).a)a.A=e.a,a.A&&(a.Rb=!0);if((e=\nmJ(a,b,Ui)?jG:kG).a)a.Rb=e.a,a.Rb||(a.A=!1);if(e=mJ(a,b,"newlook"))a.Lb=e.a,a.jg();if(e=mJ(a,b,"oldlook"))a.Lb=!e.a,a.jg();(e=mJ(a,b,"star"))&&(a.Rb=a.sc=e.a);(e=mJ(a,b,"polarnitro"))&&(a.Xb=e.a);(e=mJ(a,b,"toggle"))&&(a.vc=e.a);if(e=mJ(a,b,"depictaction"))(a.K=e.a)&&(b+=" depict");if(e=mJ(a,b,lh))if(e.a&&!a.J&&(a.J=!0,a.mb=0,a.vb=null,a.Tb=!1,a.jg()),!e.a&&a.J){a.J=!1;for(d=a.xb=1;d<=a.Sb;++d)nJ(a.zb[d]),vG(a.zb[d]);a.mb=24;a.ob&&(a.ob.s=!0);a.Tb=!0;a.jg()}(e=mJ(a,b,"showDragAndDropSymbolInDepictMode"))&&\n(a.nc=e.a);(e=mJ(a,b,"addNewPart"))&&(a.p=e.a);(e=mJ(a,b,"exportInchi"))&&(a.N=e.a);(e=mJ(a,b,"exportInchiKey"))&&(a.P=e.a);(e=mJ(a,b,"exportInchiAuxInfo"))&&(a.O=e.a);(e=mJ(a,b,"searchInchiKey"))&&(a.kc=e.a);(e=mJ(a,b,"exportSVG"))&&(a.Q=e.a);(e=mJ(a,b,"useOclIDCode"))&&(a.zc=e.a);(e=mJ(a,b,"xbutton"))&&(a.Bc=e.a);(e=mJ(a,b,jj))&&(a.Tb=e.a);(e=mJ(a,b,Gg))&&(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=mJ(a,b,"atommovebutton"))&&\n(a.lc=e.a);(e=mJ(a,b,"useopenchemlib"))&&(a.Ac=e.a);(e=mJ(a,b,"zoom"))&&(a.s=e.a);a.dc&&(a.A=!0,a.Fb=!0);a.J||(a.L=!1);aH=bH(a);a.F=null;a.G=null;c&&a.bf(a.Ec.d)}function mJ(a,b,c){var d;d=!!ZE(aF(bg+c+bg,2),b).a;b=!!ZE(aF("\\\\bno"+c+bg,2),b).a;return d&&b?(a.ig("check option "+c),null):d?(iG(),iG(),jG):b?(iG(),iG(),kG):null}\nfunction oJ(a,b){var c,d,e;e=n;for(d=1;d<=a.Sb;++d){if(0<b&&(c=wI(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,o=void 0,m=void 0,f=void 0,o=n+c.p+ga+c.q,j=1;j<=c.p;++j)f=c.b[j],g=f.d,f=n,0!=g&&(f+=g),f+=nH(c,j),c.k.ab&&0<c.b[j].i&&(f+=Pe,1<c.b[j].i&&(f+=c.b[j].i)),0!=c.b[j].n&&(0<c.b[j].n?f+=jb:f+=rb,1<qH(c.b[j].n)&&(f+=qH(c.b[j].n))),g=pJ(c,j),0!=g&&(f+=bd+g),o+=ga+f+ga+JI(0.055999999999999994*c.b[j].q,0,2)+ga+JI(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,m=c.c[j].f,1==m?l=-1:2==m?l=-2:3==m?(l=-1,h=f,f=g,g=h):4==m?(l=-2,h=f,f=g,g=h):10==m&&(l=-5),9==c.c[j].c&&(l=m),o+=ga+f+ga+g+ga+l;c=o;0<c.length&&(0<e.length&&(e+=Jk),e+=c)}return e}\nfunction VF(a,b){var c,d,e,f;e=n;for(c=1;c<=a.Sb;++c){if(0<b&&(d=wI(a.zb[c]),d!=b))continue;for(var g=a.zb[c],h=void 0,j=void 0,l=void 0,o=void 0,l=n,j=bG(g),h=0;h<j.length;++h){var m=j[h],r=(iG(),g.k.tc?jG:kG),t=g.k.C?jG:kG,y=void 0,v=void 0,s=void 0,A=void 0,F=void 0,M=void 0,N=void 0,$=void 0,U=void 0,V=void 0,da=void 0,la=void 0,sa=void 0,cc=void 0,K=void 0,pa=void 0,Ac=void 0,jd=void 0,tb=void 0,L=void 0,Ga=void 0,ub=void 0,Jc=void 0,uc=void 0,Ba=void 0,kd=void 0,cd=void 0,ta=void 0,Da=void 0,\naa=void 0,da=iH(m.p+10),la=iH(m.p+10),U=iH(m.p+1),V=iH(7),Ba=iH(m.p+1),cc=[],K=[],ub=0;if(0==m.p)o=n;else{kI(m);uc=!0;for($=1;$<=m.q;++$)if(9==m.c[$].c){uc=!1;break}if(t.a&&uc){oG(m);qJ(m);rJ(m,K);sJ(m,cc,K);var Eb=void 0,db=void 0,Fb=void 0,Qc=void 0,nc=void 0,ca=void 0,ld=void 0,S=void 0,O=void 0,Bb=void 0,Ra=void 0,T=void 0,eb=void 0,Ma=void 0,dd=void 0,Rc=void 0,Na=void 0,fb=void 0,Lc=void 0,Zd=void 0,Bd=void 0,Yc=void 0,Ib=void 0,Eb=iH(m.p+1),db=iH(m.p+1),S=iH(m.p+1);var lb=m.p,ic=void 0,vc=\nvoid 0,ec=void 0,I=void 0,oc=void 0,fc=void 0,Bc=void 0,oc=iH(lb+2),fc=iH(100),Bc=5,I=0;fc[0]=3;oc[1]=Nk;oc[2]=Ok;ec=2;if(!(3>lb))for(;Bc<fc[I]*fc[I];){vc=0;for(ic=!0;ic&&vc<=I&&Bc>=fc[vc]*fc[vc];)0==Bc%fc[vc]?ic=!1:++vc;if(ic){oc[++ec]=Jw(Bc);if(ec>=lb)break;I<fc.length-1&&(++I,fc[I]=Bc)}Bc+=2}Na=oc;for(T=1;T<=m.p;++T){Fb=m.b[T];for(eb=Bd=1;eb<=m.q;++eb)(m.c[eb].i==T||m.c[eb].j==T)&&(Bd*=m.d[eb]);Zd=m.b[T].a;32==Zd&&(Ib=m.b[T].e,0<Ib.length&&(ca=Ib.charCodeAt(0)-65+1,ld=0,1<Ib.length&&(ld=Ib.charCodeAt(1)-\n97),0>ca&&(ca=0),0>ld&&(ld=0),Zd=28*ca+ld));fb=0;0!=m.b[T].n&&(-2>m.b[T].n?fb=1:-2==m.b[T].n?fb=2:-1==m.b[T].n?fb=3:1==m.b[T].n?fb=4:2==m.b[T].n?fb=5:2<m.b[T].n&&(fb=6));Bb=0;0!=Fb.d&&(Bb=tJ(nH(m,T),Fb.d),0>Bb&&(Bb=10-Bb));Yc=126;O=Bd;O+=126*m.b[T].i;Yc*=7;O+=fb*Yc;Yc*=7;0!=Bb&&(O+=Bb*Yc);Yc*=7;O+=Zd*Yc;Yc*=783;O+=m.b[T].j*Yc;S[T]=Jw(O)}for(nc=0;!uJ(m,Eb,S);){Rc=!1;for(T=1;T<=m.p;++T)Eb[T]!=db[T]&&(db[T]=Eb[T],Rc=!0);if(Rc){for(T=1;T<=m.p;++T){S[T]=Mk;for(eb=1;eb<=m.b[T].j;++eb)S[T]=Nw(S[T],Na[Eb[m.b[T].p[eb]]])}nc=\n0}else if(0<nc){for(T=1;T<=m.p;++T)S[T]=Mk;T=1;b:for(;T<=m.p-1;++T)for(eb=T+1;eb<=m.p;++eb)if(Eb[T]==Eb[eb]){S[T]=Nk;break b}}else{for(T=1;T<=m.p;++T){S[T]=Mk;for(eb=1;eb<=m.b[T].j;++eb)Fb=m.b[T].p[eb],S[T]=Nw(S[T],Jw(m.b[Fb].a*m.d[jJ(m,T,Fb)]))}nc=1}uJ(m,Eb,S);for(T=1;T<=m.p;++T)S[T]=Jw(db[T]*m.p+Eb[T])}for(T=1;T<=m.p;++T)db[T]=Eb[T];for(Lc=1;Lc<=m.p;++Lc)for(T=1;T<=m.p;++T)if(db[T]==Lc){var Sc=m.b,Hd=T,Td=void 0,Td=Sc[Lc];nq(Sc,Lc,Sc[Hd]);nq(Sc,Hd,Td);db[T]=db[Lc];db[Lc]=Lc;break}for(T=1;T<=m.q;++T)m.c[T].i=\nEb[m.c[T].i],m.c[T].j=Eb[m.c[T].j],m.c[T].i>m.c[T].j&&(Ra=m.c[T].i,m.c[T].i=m.c[T].j,m.c[T].j=Ra,1==m.c[T].f?m.c[T].f=3:2==m.c[T].f?m.c[T].f=4:3==m.c[T].f?m.c[T].f=1:4==m.c[T].f&&(m.c[T].f=2));for(T=1;T<m.q;++T){dd=Ma=m.p;Qc=0;for(eb=T;eb<=m.q;++eb)m.c[eb].i<Ma?(Ma=m.c[eb].i,dd=m.c[eb].j,Qc=eb):m.c[eb].i==Ma&&m.c[eb].j<dd&&(dd=m.c[eb].j,Qc=eb);var Cd=m.c,Ud=T,ed=void 0,ed=Cd[Qc];nq(Cd,Qc,Cd[Ud]);nq(Cd,Ud,ed)}vJ(m);wJ(m);rJ(m,K);sJ(m,cc,K)}else{rJ(m,K);m.d=iH(m.q+1);for(sa=1;sa<=m.q;++sa)m.d[sa]=m.c[sa].c}v=\n1;m.a=iH(m.p+1);aa=1;m.a[1]=1;for(L=0;;){Ga=0;for(sa=1;sa<=m.b[v].j;++sa)if(M=m.b[v].p[sa],0<m.a[M]){if(!(m.a[M]>m.a[v])&&M!=Ba[v]){Jc=!0;for(Ac=1;Ac<=ub;++Ac)if(da[Ac]==v&&la[Ac]==M||da[Ac]==M&&la[Ac]==v){Jc=!1;break}Jc&&(++ub,da[ub]=v,la[ub]=M)}}else V[++Ga]=M;if(0==Ga){if(aa==m.p)break;v=U[L--]}else if(1==Ga)Ba[V[1]]=v,v=V[1],m.a[v]=++aa;else{U[++L]=v;A=0;for(sa=1;sa<=Ga;++sa)if($=jJ(m,V[sa],v),!K[$]){A=V[sa];break}if(0==A)for(sa=1;sa<=Ga;++sa)if($=jJ(m,V[sa],v),2==m.d[$]||3==m.d[$]){A=V[sa];break}0==\nA&&(A=V[1]);Ba[A]=v;v=A;m.a[A]=++aa}}Ba=iH(m.p+1);y=iH(m.p+1);jd=[];kd=[];F=aa=L=0;for(sa=1;sa<=m.p;++sa)if(1==m.a[sa]){v=sa;break}b:for(;;){0<F&&(Ba[v]=F);y[++aa]=v;for(m.a[v]=0;;){Ga=A=0;tb=m.p+1;sa=1;c:for(;sa<=m.b[v].j;++sa){M=m.b[v].p[sa];for(pa=1;pa<=ub;++pa)if(da[pa]==M&&la[pa]==v||da[pa]==v&&la[pa]==M)continue c;0<m.a[M]&&(++Ga,m.a[M]<tb&&(A=M,tb=m.a[M]))}if(0==A){if(0==L)break b;kd[v]=!0;v=U[L--]}else break}F=v;v=A;1<Ga&&(U[++L]=F,jd[A]=!0)}cd=iH(m.q+1);ta=iH(m.p+1);if(r.a){for(var fa=Ba,\nId=ub,Ob=void 0,ge=void 0,Cb=void 0,fd=void 0,Va=void 0,Jb=void 0,Qb=void 0,jc=void 0,Za=void 0,pc=void 0,fd=iH(m.p+1),Ob=1;Ob<=m.p;++Ob)fd[y[Ob]]=Ob;Jb=[];for(jc=1;jc<=m.p;++jc)ge=y[jc],Cb=fa[ge],Va=jJ(m,ge,Cb),0!=Va&&(xJ(m,Va,fd,cd),Jb[Va]=!0);for(jc=1;jc<=m.q;++jc)Jb[jc]||xJ(m,jc,fd,cd);Ob=1;b:for(;Ob<=m.p;++Ob)if(!(2>m.b[Ob].j||4<m.b[Ob].j)){Qb=pc=0;for(Za=1;Za<=m.b[Ob].j;++Za){Va=jJ(m,Ob,m.b[Ob].p[Za]);if(5==m.d[Va])continue b;1==m.c[Va].c&&0!=yJ(m,Va,Ob)&&++pc;2==m.c[Va].c&&(Qb=m.b[Ob].p[Za])}if(0!=\npc)if(0<Qb){var ya=m,Jd=fd,Rb=ta,Mc=void 0,gc=void 0,Cc=void 0,kc=void 0,Dc=void 0,Kd=void 0,Dd=void 0,wc=void 0,md=void 0,Ld=void 0,X=void 0,ob=void 0,pb=void 0,xb=void 0,Af=void 0,$a=void 0,Sb=void 0,mb=void 0,mg=void 0,gb=void 0,Bf=void 0,pe=void 0,nd=void 0,xc=void 0,Cc=zJ(ya,Ob),Ld=Cc[0];if(0!=Ld%2&&(xc=Cc[1],gc=Cc[~~((Ld+1)/2)],Dd=Cc[Ld],!(2>ya.b[Dd].j||3<ya.b[Dd].j))){gb=mb=xb=ob=0;pe=$a=!1;for(md=1;md<=ya.b[xc].j;++md)Mc=ya.b[xc].p[md],Mc!=Cc[2]&&(0==ob?ob=Mc:xb=Mc);0<Jd[xb]&&Jd[ob]>Jd[xb]&&\n(kc=ob,ob=xb,xb=kc);X=ob;0==ob&&(X=xb,$a=!0);for(wc=1;wc<=ya.b[Dd].j;++wc)Mc=ya.b[Dd].p[wc],Mc!=Cc[Ld-1]&&(0==mb?mb=Mc:gb=Mc);0<Jd[gb]&&Jd[mb]>Jd[gb]&&(kc=mb,mb=gb,gb=kc);Sb=mb;0==mb&&(Sb=gb,pe=!0);pb=0<ob?yJ(ya,jJ(ya,xc,ob),xc):0;Af=0<xb?yJ(ya,jJ(ya,xc,xb),xc):0;mg=0<mb?yJ(ya,jJ(ya,Dd,mb),Dd):0;Bf=0<gb?yJ(ya,jJ(ya,Dd,gb),Dd):0;1<(0>pb+Af?-(pb+Af):pb+Af)||0!=mg||0!=Bf?mu(ya.k,"Bad stereoinfo on allene !"):(Dc=ya.b[Cc[Ld-1]].q-ya.b[Dd].q,Kd=ya.b[Cc[Ld-1]].r-ya.b[Dd].r,nd=Math.sqrt(Dc*Dc+Kd*Kd),0.001>\nnd&&(nd=0.001),0<(ya.b[Sb].r-ya.b[Cc[Ld-1]].r)*(Dc/nd)-(ya.b[Sb].q-ya.b[Cc[Ld-1]].q)*(Kd/nd)?Rb[gc]=1:Rb[gc]=-1,$a&&(Rb[gc]*=-1),pe&&(Rb[gc]*=-1),X==ob&&0>pb&&(Rb[gc]*=-1),X==xb&&0>Af&&(Rb[gc]*=-1),Jd[X]>Jd[Sb]&&(Rb[gc]*=-1))}}else c:{var qc=m,Gb=Ob,Ce=fa,wd=fd,Tc=da,Tb=la,od=Id,qe=ta,$d=void 0,Zc=void 0,De=void 0,rc=void 0,Xa=void 0,sc=void 0,yb=void 0,he=void 0,Md=void 0,$c=void 0,Sa=void 0,Ta=void 0,Ec=void 0,Ub=void 0,pd=void 0,ba=void 0,qd=void 0,Ta=iH(4),Ub=iH(4),ae=void 0,xd=void 0,re=void 0,\nhf=void 0,jf=void 0,Xg=void 0,Xg=-1;0<Ce[Gb]&&(Ta[++Xg]=Ce[Gb]);for(xd=1;xd<=od;++xd)Tc[xd]==Gb&&(Ta[++Xg]=Tb[xd]),Tb[xd]==Gb&&(Ta[++Xg]=Tc[xd]);for(xd=Xg+1;xd<qc.b[Gb].j;++xd){jf=qc.p+1;re=1;d:for(;re<=qc.b[Gb].j;++re){ae=qc.b[Gb].p[re];for(hf=0;hf<xd;++hf)if(ae==Ta[hf])continue d;wd[ae]<jf&&(jf=wd[ae],Ta[xd]=ae)}}0==Ce[Gb]&&0<qc.b[Gb].i?(Ta[3]=Ta[2],Ta[2]=Ta[1],Ta[1]=Ta[0],Ta[0]=-1):0<qc.b[Gb].i&&(Ta[3]=Ta[2],Ta[2]=Ta[1],Ta[1]=-1);for(Xa=he=sc=rc=qd=yb=$c=0;4>Xa;++Xa)0>=Ta[Xa]||($d=jJ(qc,Gb,Ta[Xa]),\nUb[Xa]=yJ(qc,$d,Gb),0<Ub[Xa]?(++$c,qd=Ta[Xa],sc=Ta[Xa]):0>Ub[Xa]?(++yb,rc=Ta[Xa],sc=Ta[Xa]):he=Ta[Xa]);Md=$c+yb;ba=iH(4);pd=0;if(3==qc.b[Gb].j){if(1==$c&&1==yb||3==Md&&0<$c&&0<yb){mu(qc.k,"Error in C3H stereospecification !");break c}Ec=Ta[0];1==Md?Ec=sc:2==Md&&(Ec=he);Sa=AJ(qc,Gb,Ec,Ta);ba[0]=sc;ba[1]=-1;ba[2]=Sa[2];ba[3]=Sa[1];0<$c?pd=1:pd=-1}else if(4==qc.b[Gb].j)if(1==Md)Sa=AJ(qc,Gb,sc,Ta),ba[0]=Sa[0],ba[1]=Sa[3],ba[2]=Sa[2],ba[3]=Sa[1],0<$c?pd=1:pd=-1;else{Ec=Ta[0];1<he&&(Ec=he);1==$c?Ec=qd:\n1==yb&&(Ec=rc);Sa=AJ(qc,Gb,Ec,Ta);Zc=iH(4);for(Xa=0;4>Xa;++Xa)$d=jJ(qc,Gb,Sa[Xa]),Zc[Xa]=yJ(qc,$d,Gb);if(4==Md){if(0==$c||0==yb){mu(qc.k,"Error in C4 stereospecification !");break c}if(1==$c||1==yb)ba[0]=Sa[0],ba[1]=Sa[3],ba[2]=Sa[2],ba[3]=Sa[1],pd=Zc[0];else{for(Xa=0;4>Xa;++Xa)-1==Zc[Xa]&&(Zc[Xa]=0);Md=2}}else if(3==Md)if(3==$c||3==yb)ba[0]=Sa[0],ba[1]=Sa[3],ba[2]=Sa[2],ba[3]=Sa[1],0<$c?pd=-1:pd=1;else{1==$c?$c=De=1:yb=De=-1;for(Xa=0;4>Xa;++Xa)Zc[Xa]==De&&(Zc[Xa]=0);Md=2}if(2==Md)if(1==$c&&1==yb)Sa[1]==\nrc?(Sa[1]=Sa[2],Sa[2]=Sa[3]):Sa[2]==rc&&(Sa[2]=Sa[3]),ba[0]=qd,ba[1]=rc,ba[2]=Sa[2],ba[3]=Sa[1],pd=1;else{if(Zc[0]==Zc[1]||Zc[1]==Zc[2]){mu(qc.k,"Error in C4 stereospecification ! 2/0r");break c}0!=Zc[0]?(ba[0]=Sa[0],ba[1]=Sa[2],ba[2]=Sa[1],ba[3]=Sa[3]):(ba[0]=Sa[1],ba[1]=Sa[3],ba[2]=Sa[2],ba[3]=Sa[0]);1<$c?pd=1:pd=-1}}var Kb=void 0;Ta[0]==ba[1]?(Kb=ba[0],ba[0]=ba[1],ba[1]=Kb,Kb=ba[2],ba[2]=ba[3],ba[3]=Kb):Ta[0]==ba[2]?(Kb=ba[2],ba[2]=ba[0],ba[0]=Kb,Kb=ba[1],ba[1]=ba[3],ba[3]=Kb):Ta[0]==ba[3]&&(Kb=\nba[3],ba[3]=ba[0],ba[0]=Kb,Kb=ba[1],ba[1]=ba[2],ba[2]=Kb);Ta[1]==ba[2]?(Kb=ba[1],ba[1]=ba[2],ba[2]=Kb,Kb=ba[2],ba[2]=ba[3],ba[3]=Kb):Ta[1]==ba[3]&&(Kb=ba[1],ba[1]=ba[3],ba[3]=Kb,Kb=ba[2],ba[2]=ba[3],ba[3]=Kb);ba[2]==Ta[2]?qe[Gb]=1:ba[2]==Ta[3]?qe[Gb]=-1:mu(qc.k,"Error in stereoprocessing ! - t30");qe[Gb]*=pd}}}Da=new BJ;N=iH(m.p+1);for(sa=1;sa<=m.p;++sa)N[y[sa]]=sa;for(sa=1;sa<=m.p;++sa){v=y[sa];jd[v]&&(Da.a.a+=cb);0<Ba[sa]&&CJ(m,v,Ba[v],Da,cd);var Qe=v,Re=Da,rd=cc[v],yd=ta,Se=void 0,Te=void 0,sd=\nvoid 0,ng=void 0,be=void 0,Hg=void 0,Cf=void 0,ie=void 0,Ea=void 0,Ea=Uf,Te=m.b[Qe],be=Te.d,Cf=Te.i,ie=Te.n,Se=Te.a,sd=!1;(0!=ie||0!=be)&&(sd=!0);0!=yd[Qe]&&(sd=!0);Hg=pJ(m,Qe);ng=0!=Hg;sd=sd||ng;m.k.sc&&0<m.b[Qe].c&&(sd=!0);switch(Se){case 2:Ea=ce;break;case 3:rd?Ea=Mg:Ea=me;break;case 4:rd?(Ea=Mi,0<Cf&&(sd=!0)):Ea=sf;break;case 5:rd?Ea="o":Ea=xf;break;case 7:rd?(Ea=hj,0<Cf&&(sd=!0)):Ea=yf;break;case 8:rd?Ea=Fj:Ea=Hf;break;case 13:rd?Ea=Ij:Ea=Jf;sd=!0;break;case 6:Ea=Lf;sd=!0;break;case 9:Ea=Ke;\nbreak;case 10:Ea=ve;break;case 11:Ea=le;break;case 12:Ea=Xe;break;case 1:Ea=Pe;sd=!0;break;case 32:sd=!0,Ea=m.b[Qe].e,!ng&&(H(Ea,ib)||H(Ea,eg)||H(Ea,Od))&&(sd=!1)}0<TF(Se)&&(Ea=(FF(),MF)[Se],sd=!0);33<=Se&&42>=Se&&(sd=!0,Ea=(FF(),MF)[Se]);sd&&(0!=be?Ea=Wf+be+Ea:Ea=Wf+Ea,1==yd[Qe]?Ea+=Nd:-1==yd[Qe]&&(Ea+="@@"),1==Cf?Ea+=Pe:1<Cf&&(Ea+=Pe+Cf),0!=ie&&(0<ie?Ea+=jb:Ea+=rb,1<(0>ie?-ie:ie)&&(Ea+=0>ie?-ie:ie)),ng&&(Ea+=bd+Hg),Ea+=cg);Bp(Re.a,Ea);for(pa=1;pa<=ub;++pa)if(da[pa]==v||la[pa]==v)s=la[pa],s==v&&\n(s=da[pa]),N[v]<N[s]&&CJ(m,da[pa],la[pa],Da,cd),9<pa&&(Da.a.a+=Pa),Ap(Da,n+(new uC(pa)).a);kd[v]&&(Da.a.a+=hb)}o=Da.a.a}0<l.length&&(l+=lc);l+=o}f=l;0<f.length&&(0<e.length&&(e+=lc),e+=f)}return e}function rI(a,b,c){try{$H(a,b,c)||a.bf(a.Ec.d)}catch(d){if(d=xq(d),G(d,97))a.bf(a.Ec.d);else throw d;}}\nfunction bI(a,b,c){var d;try{var e;a:{var f,g,h,j,l,o,m,r,t;g=l=0;t=new WE(b,"|>",!0);j=-1<b.indexOf(Fd);m=1;o=PE(t);f=0<a.Sb;if(!((a.dc||a.Fb)&&a.p||a.Mb)||j)a.Sb=0,f=!1;for(h=1;h<=o;++h)if(r=TE(t),oy(r),!H(r,Jk))if(H(r,Fd))++m,2==m?l=a.Sb:3==m&&(g=a.Sb+1);else{a.ob=new 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1:d=a.b[b].p[1];e=0;2==a.b[d].j&&(a.b[d].p[1]==b?e=a.b[d].p[2]:e=a.b[d].p[1]);f=a.b[b].q-a.b[d].q;g=a.b[b].r-a.b[d].r;j=Math.sqrt(f*f+g*g);0.001>j&&(j=0.001);g/=j;f/=j;l=j+25*Math.cos(1.0471975511965976);o=25*Math.sin(1.0471975511965976);h=jJ(a,b,d);if(3==a.c[h].c||204==a.k.k||1!=a.c[h].c&&(203==a.k.k||204==a.k.k)||a.n)l=j+25,o=0;0<e&&0<(a.b[e].r-a.b[d].r)*f-(a.b[e].q-a.b[d].q)*\ng&&(o=-o);0<c&&0>o?o=-o:0>c&&0<o&&(o=-o);SI(a,a.p,a.b[d].q+l*f-o*g,a.b[d].r+o*f+l*g);e=!0;break;case 2:c=iH(2);hN(a,b,25,c);SI(a,a.p,c[0],c[1]);break;case 3:case 4:case 5:for(h=1;h<=a.b[b].j&&!(d=a.b[b].p[h],f=a.b[b].q-a.b[d].q,g=a.b[b].r-a.b[d].r,j=Math.sqrt(f*f+g*g),0.001>j&&(j=0.001),SI(a,a.p,a.b[b].q+25*f/j,a.b[b].r+25*g/j),0==XI(a,a.p,1,a.p)||h==a.b[b].j);++h);break;default:return--a.p,mu(a.k,"Are you trying to draw an hedgehog ?"),a.k.cb=9,!1}b=iJ(a,a.v,a.p,1);203==a.k.k&&(b.c=2);204==a.k.k&&\n(b.c=3);201==a.k.k&&QI(a,a.q);a.z=a.b[a.p].q;a.A=a.b[a.p].r;return e}function KI(a,b){var c,d;if(!b||0==b.c)return n;d=n;d+="M V30 BEGIN COLLECTION"+(FF(),ea);d+=nf+a+" [ATOMS=("+b.c;for(c=new zv(b);c.b<c.d.Tf();)d+=ga+Av(c);return d+")]\\nM V30 END COLLECTION\\n"}\nfunction OI(a,b){var c;a.x=a.v;c=0;if(233==a.k.k||237==a.k.k||236==a.k.k||239==a.k.k||251==a.k.k||252==a.k.k)CI(a,a.v,0),a.v=a.p,a.n=!0,CI(a,a.v,0),a.n=!1,a.v=a.p-1,CI(a,a.v,0),a.v=a.p-2,CI(a,a.v,0),237==a.k.k&&(zI(a,a.p,10),zI(a,a.p-1,10),zI(a,a.p-2,10)),236==a.k.k&&(zI(a,a.p,9),zI(a,a.p-1,9),zI(a,a.p-2,9)),239==a.k.k&&(zI(a,a.p,5),zI(a,a.p-1,5),zI(a,a.p-2,5),zI(a,a.p-3,8),a.c[a.q].c=2,a.c[a.q-1].c=2),252==a.k.k&&(zI(a,a.p,5),zI(a,a.p-1,5),zI(a,a.p-2,4),zI(a,a.p-3,8),a.c[a.q].c=2,a.c[a.q-1].c=2),\n251==a.k.k&&(zI(a,a.p,5),zI(a,a.p-1,5),zI(a,a.p-2,5),zI(a,a.p-3,7),a.c[a.q].c=2),c=4;else if(244==a.k.k)CI(a,a.v,0),zI(a,a.p,4),a.v=a.p,CI(a,a.v,0),zI(a,a.p,8),a.v=a.p,a.n=!0,CI(a,a.v,0),a.n=!1,a.v=a.p-1,CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,a.v=a.p-2,CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,c=5;else if(234==a.k.k)CI(a,a.v,0),zI(a,a.p,4),a.v=a.p,a.k.Xb&&xI(a,a.v,1),CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,a.v=a.p-1,CI(a,a.v,0),zI(a,a.p,5),a.k.Xb?(a.c[a.q].c=1,xI(a,a.p,-1)):a.c[a.q].c=2,c=3;else if(235==a.k.k)CI(a,\na.v,0),a.v=a.p,CI(a,a.v,0),zI(a,a.p,5),a.v=a.p-1,CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,c=3;else if(240==a.k.k)CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),zI(a,a.p,5),a.v=a.p,CI(a,a.v,0),a.v=a.p-2,CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,c=4;else if(260==a.k.k)CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),zI(a,a.p,4),a.v=a.p-1,CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,c=3;else if(261==a.k.k)CI(a,a.v,0),zI(a,a.p,4),a.v=a.p,CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),zI(a,a.p,5),a.c[a.q].c=2,c=3;else if(241==a.k.k)CI(a,a.v,0),zI(a,a.p,5),a.v=a.p,\nCI(a,a.v,0),a.v=a.p,CI(a,a.v,0),a.v=a.p-1,CI(a,a.v,0),a.c[a.q].c=2,zI(a,a.p,5),c=4;else if(243==a.k.k)CI(a,a.v,0),zI(a,a.p,4),a.v=a.p,CI(a,a.v,0),a.v=a.p-1,CI(a,a.v,0),c=3;else if(238==a.k.k)CI(a,a.v,0),a.v=a.p,a.n=!0,CI(a,a.v,0),a.c[a.q].c=3,a.n=!1,c=2;else if(249==a.k.k)CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),a.c[a.q].c=2,zI(a,a.p,5),c=2;else if(250==a.k.k)CI(a,a.v,0),a.c[a.q].c=2,zI(a,a.p,5),c=1;else if(245==a.k.k)CI(a,a.v,0),a.v=a.p,a.n=!0,CI(a,a.v,0),a.v=a.p,a.c[a.q].c=3,CI(a,a.v,0),a.n=!1,c=3;else if(242==\na.k.k)CI(a,a.v,0),a.v=a.p,a.n=!0,CI(a,a.v,0),a.c[a.q].c=3,zI(a,a.p,4),a.n=!1,c=2;else if(254==a.k.k)CI(a,a.v,0),zI(a,a.p,9),c=1;else if(255==a.k.k)CI(a,a.v,0),zI(a,a.p,10),c=1;else if(256==a.k.k)CI(a,a.v,0),zI(a,a.p,11),c=1;else if(257==a.k.k)CI(a,a.v,0),zI(a,a.p,12),c=1;else if(258==a.k.k)CI(a,a.v,0),zI(a,a.p,4),c=1;else if(259==a.k.k)CI(a,a.v,0),zI(a,a.p,5),c=1;else if(246==a.k.k)CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),c=2;else if(247==a.k.k)CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),c=3;else if(248==\na.k.k)CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),a.v=a.p,CI(a,a.v,0),c=4;else if(253==a.k.k){var d,e,f,g,h,j,l,o;if(!a.k.uc||0==a.k.uc.p)c=0;else{c=0;o=a.k.uc;for(e=1;e<=o.p;++e)if(1==II(o.b[e])){c=e;break}g=a.p;h=a.v;e=new iN;f=jN(e,a,h,1);d=null;f&&(d=new iN,jN(d,a,h,-1));l=new iN;jN(l,o,c,0);var m;m=a.p;for(j=1;j<=o.p;++j)RI(a,o.b[j]),zI(a,a.p,o.b[j].a);for(j=1;j<=o.q;++j)eJ(a,null),xM(a.c[a.q],o.c[j]),a.c[a.q].i=o.c[j].i+m,a.c[a.q].j=o.c[j].j+m;vJ(a);nG(a.b[g+c]);kN(l,a,g+1,a.p,h,e);\nif(f&&(f=lN(a,g+1,a.p),0<f)){for(j=1;j<=o.p;++j)SI(a,g+j,o.b[j].q,o.b[j].r);kN(l,a,g+1,a.p,h,d);d=lN(a,g+1,a.p);if(!(d<=f)){for(j=1;j<=o.p;++j)SI(a,g+j,o.b[j].q,o.b[j].r);kN(l,a,g+1,a.p,h,e)}}eJ(a,null);a.c[a.q].i=h;a.c[a.q].j=c+g;vJ(a);b&&(YF(a,h),vG(a));c=o.p}}mN(a,c);a.v=a.x;b&&(a.v=0)}\nfunction hN(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>pH((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 BI(a){var b,c,d,e,f,g,h,j,l,o,m,r,t,y;o=-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=wL(312.5/(1-Math.cos(f)));if(0<a.v)if(2>a.b[a.v].j)nN(a,j,f,l);else if(!a.k.Bb&&!a.k.rc)o=a.v,CI(a,a.v,0),a.v=a.p,nN(a,j,f,l);else{a.k.rc=!1;if(209==a.k.k||221==a.k.k||223==a.k.k){mu(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[jJ(a,a.v,a.b[a.v].p[d])].c,2<d||1!=b){mu(a.k,"ERROR - spiro ring not possible here !");a.k.cb=9;return}b=iH(2);hN(a,a.v,l,b);e=a.b[a.v].q-b[0];g=a.b[a.v].r-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=j;++d)h=RI(a,null),r=f*d+1.5707963267948966,WI(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],m=b,b=c,c=m);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;m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;h=m/2;r=l*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.b[d].r-a.b[b].r)*e-(a.b[d].q-a.b[b].q)*g&&(r=-r,m=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=RI(a,null),r=f*(d+0.5)+3.141592653589793*m,WI(h,t+l*(Math.sin(r)*e-Math.cos(r)*g),y+l*(Math.cos(r)*e+Math.sin(r)*g)),1==m?(d==j&&WI(h,a.b[b].q,a.b[b].r),\nd==j-1&&WI(h,a.b[c].q,a.b[c].r)):(d==j-1&&WI(h,a.b[b].q,a.b[b].r),d==j&&WI(h,a.b[c].q,a.b[c].r))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)h=RI(a,null),r=f*(d-b),WI(h,a.z+l*Math.sin(r),a.A+l*Math.cos(r))}b=j;l=0;for(f=1;f<=b;++f)eJ(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[jJ(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[jJ(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;zI(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,zI(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,zI(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,zI(a,a.p-2,5));l=iH(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,lJ(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;iJ(a,l[b],l[e],a.c[f].c)}else 0<l[b]?iJ(a,l[b],e,a.c[f].c):\n0<l[e]&&iJ(a,l[e],b,a.c[f].c);d=a.p-j;for(f=a.p;f>d;--f)if(0<l[f]&&(YF(a,f),3==a.b[l[f]].a)){m=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])&&(m+=a.c[c].c)}if(4<m)for(c=g+1;c<=g+j;++c)a.c[c].c=1}0<a.v&&mN(a,j);-1<o&&(a.v=o)}\nfunction nN(a,b,c,d){var e,f,g,h,j,l,o;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;o=a.b[a.v].r+d*e;for(g=1;g<=b;++g)h=RI(a,null),j=c*g-1.5707963267948966,WI(h,l+d*(Math.sin(j)*f-Math.cos(j)*e),o+d*(Math.cos(j)*f+Math.sin(j)*e))}function mN(a,b){var c,d;0==b&&(b=a.p);for(c=a.p;c>a.p-b;--c)d=XI(a,c,1,a.p),0!=d&&wG(a.b[c],6,6)}\nfunction jJ(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 MH(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 uJ(a,b,c){var d,e,f,g;e=Lk;for(f=g=0;;){++g;for(d=1;d<=a.p;++d)if(Mw(c[d])){e=c[d];break}for(d=1;d<=a.p;++d)Mw(c[d])&&!Bw(c[d],e)&&(e=c[d]);for(d=1;d<=a.p;++d)Gw(c[d],e)&&(b[d]=g,c[d]=Lk,++f);if(f==a.p)break}return g==a.p}\nfunction vG(a){var b,c,d;d=c=0;a.k&&(b=uG(a.k),c=b.b,d=b.a);0>=c||0>=d?a.s=!0:(b=sG(a),c=c/2-b.a,b=d/2-b.b,a.k.Ob||ZI(a,c,b),xG(a))}\nfunction xI(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&&mu(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?mu(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?mu(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?mu(a.k,"Charge change not possible on multibonded "+(FF(),MF)[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:mu(a.k,"Charge change not possible on the halogen !");break;case 32:mu(a.k,"Use X button to change charge on the X atom !")}if(0<TF(a.b[b].a)){var c=a.b[b],g,h,j,l;g=!1;h=TF(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&&mu(a.k,"Metallic "+(FF(),MF)[c.a]))),g=c.n!=l||c.i!=j,c.n=l,c.i=j));g||mu(a.k,"Charge change not possible on "+\n(FF(),MF)[a.b[b].a])}return e!=a.b[b].n||f!=a.b[b].i}function kI(a){var b,c,d,e,f;e=0;f=!1;for(a.a=iH(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 XI(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 aG(a){wJ(a);qJ(a)}\nfunction qJ(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;wJ(a)}1==a.b[b].n&&1==a.b[c].n&&(2==e?e=1:3==e&&(e=2),d.c=e,wJ(a));4==e&&(e=1);d.c=\ne}}function gN(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 vJ(a){oN(a);xG(a);wJ(a)}\nfunction sG(a){var b,c,d,e,f,g;b=new yM;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 lN(a,b,c){var d,e;e=0;for(d=1;d<=a.p;++d)d>=b&&d<=c||0!=XI(a,d,b,c)&&++e;return e}function iJ(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;lJ(e,a.b);e.c=d;return e}\nfunction RI(a,b){++a.p;b?a.b[a.p]=qM(b):a.b[a.p]=new hJ;return a.b[a.p]}function oH(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 pN(g-1-2,a-2,d+1+4,e+4)}function eJ(a,b){var c;++a.q;c=new wM;b&&xM(c,b);return a.c[a.q]=c}\nfunction FI(a,b,c){var d,e,f,g,h,c=HI(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+=JI(0.055999999999999994*(a.b[b].q-d),10,4)+JI(0.055999999999999994*(e-a.b[b].r),10,4)+JI(0,10,4),g=nH(a,b),1==g.length?g+=ia:2==g.length?g+=ga:3<g.length&&(g="Q "),c+=ga+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=tJ(nH(a,b),a.b[b].d),-3<=g&&4>=g&&(h=g)),\ng=EI(h,2)+EI(f,3)+" 0 0 0 0 0 0 0",f=pJ(a,b),g+=EI(f,3),c+=g+ja+(FF(),ea);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=EI(d.i,3)+EI(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=EI(d.j,3)+EI(d.i,3)),1==e&&4==d.f&&(h=6,f=EI(d.j,3)+EI(d.i,3)),c+=f+EI(g,3)+EI(h,3)+ka+(FF(),ea);for(b=1;b<=a.p;++b)0!=a.b[b].n&&(c+="M CHG 1"+EI(b,4)+EI(a.b[b].n,4)+(FF(),ea)),0!=a.b[b].d&&(c+="M ISO 1"+EI(b,4)+EI(a.b[b].d,4)+(FF(),ea));return c+=ff+(FF(),ea)}\nfunction YF(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],xM(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)yG(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 $F(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&&YF(a,c);0==a.b[d].j&&YF(a,d)}\nfunction oG(a){var b,c,d;c=!1;oN(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=jJ(a,d,b);if(1==a.c[b].c&&(0==a.c[b].f||!a.k.tc))YF(a,d),c=!0}return c}function qN(a,b){var c,d,e,f,g;g=z(B,q,-1,[0,0]);for(e=1,f=0;e<=a.b[b].j;++e)c=a.b[b].p[e],d=jJ(a,b,c),2!=a.c[d].c&&(g[f++]=c);return g}\nfunction oN(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,fJ(a.b[b],c),fJ(a.b[c],b)}\nfunction sJ(a,b,c){var d,e,f,g,h,j,l,o,m;a.d=iH(a.q+1);m=[];for(j=1;j<=a.p;++j){m[j]=!1;b[j]=!1;a:{d=void 0;for(d=1;d<=a.b[j].j;++d)if(c[jJ(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:m[j]=!0;break;case 32:0==a.b[j].e.indexOf(Od)?m[j]=!1:m[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(o=1;o<=a.b[l].j;++o){h=a.b[l].p[o];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,m[f]&&m[g])){d=[];for(j=1;j<=a.b[f].j;++j)e=a.b[f].p[j],e!=g&&m[e]&&(d[e]=!0);for(o=!1;;){for(j=1;j<=a.p;++j){o=!1;if(d[j]&&m[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]&&m[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function pJ(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 xG(a){var b;for(b=1;b<=a.q;++b)lJ(a.c[b],a.b)}\nfunction zJ(a,b){var c,d,e,f,g,h;h=1;f=b;e=iH(a.p+1);if(rM(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=jJ(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 rJ(a,b){var c;for(c=1;c<=a.q;++c)tH(a,a.c[c].i,a.c[c].j)?b[c]=!1:b[c]=!0}function CH(a){var b,c,d;if(0==a.p)return 0;d=-999999;for(b=1;b<=a.p;++b)c=II(a.b[b]),c>d&&(d=c);return d}\nfunction nH(a,b){var c;c=(FF(),MF)[a.b[b].a];32==a.b[b].a&&(c=a.b[b].e);return c}function kJ(a,b){a.b[b].j+=-1}function tH(a,b,c){var d,e,f,g,h;h=1;a.a=iH(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 PI(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?nG(b):(a.k.Bb||++a.o,b.f=a.o);return!0}function HI(a,b,c,d){var e,f;f=d?0:a.f.a&&MH(a)?1:0;e=b;79<b.length&&(e=b.substr(0,76)+mc);e+=(FF(),ea);c?e+="JME 2017-02-26 "+new dM+"\\n\\n":e+="JME\\n\\n";e+=EI(d?0:a.p,3)+EI(d?0:a.q,3);return e+=ja+EI(f,3)+" 0 0 0 0 0999 "+(d?Sf:Rf)+ea}function ZI(a,b,c){var d;for(d=1;d<=a.p;++d)wG(a.b[d],b,c)}\nfunction vI(a){var b;a.t=0;a.o=0;for(b=1;b<=a.p;++b)a.v=b,PI(a);a.v=0}function wI(a){var b,c;b=sG(a);c=a.k.M.b;a.k.J||(c=dw(c-a.k.mb));return b.a<~~(c/2)-24?1:b.a>~~(c/2)+24?3:2}function gG(a,b){var c,d,e,f,g,h,j;c=sG(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,WI(a.b[f],h,j);c=sG(a);ZI(a,d-c.a,e-c.b)}\nfunction nJ(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/wL((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 AI(a,b,c){var d,e,f,g,h;if(0==c.indexOf(Wf)&&xL(c,cg))c=kE(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,o,m,r,t;j=ZE(pM,c);if(j.a){m=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;o=!0;if(-1!=sM(h)){if(null!=m&&0<m.length){m=DE(m,10);var y;a:{var v;v=Fv((!tM&&uM(),tM),h);if(null!=v)for(y=0;y<v.length;++y)if(m==v[y]){y=!0;break a}y=!1}y?e.d=m:o=!1}}else o=!1;o&&(null!=f&&0<f.length?(l=DE(f,10),l*=H(g,rb)?-1:1):null!=r&&0<r.length&&(l=r.length,l*=\nH(r,rb)?-1:1));o&&(c=h+(null!=t?t:n),e.n=l);null!=j&&0<j.length&&(f=DE(j,10),e.f=f)}g=!1;-1<c.indexOf(kb)&&(g=!0);-1<c.indexOf(hd)&&(g=!0);-1<c.indexOf(Fa)&&(g=!0);-1<c.indexOf("!")&&(g=!0);f=c.indexOf(bd);e=c.indexOf(Pe);if(-1<f){h=py(c,f+1);try{d=DE(h,10),a.b[b].f=d}catch(s){if(s=xq(s),!G(s,97))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,(FF(),MF)[g])){f=g;break b}f=32}zI(a,b,f);32==a.b[b].a&&(a.b[b].e=d);c+=\nga;d=0;0<e&&(d=1,e=$K(c,++e),48<=e&&57>=e&&(d=e-48));32==a.b[b].a&&(a.b[b].i=d)}}}function jI(a,b,c){var d,e;a.i=1;c&&(a.i=-1);b=new XE(b);try{for(;b.j=QE(b,b.a),b.j<b.i;)d=OH(DE(TE(b),10)).a,c=e=OH(DE(TE(b),10)).a,(0>c||6<c)&&(c=0),a.b[d].c=c}catch(f){if(f=xq(f),G(f,97))yp(f);else throw f;}}function hG(a,b){return a.f!=b?(a.f=b,!0):!1}\nfunction CJ(a,b,c,d,e){b=jJ(a,b,c);5!=a.d[b]&&2==a.c[b].c?d.a.a+=Ed:3==a.c[b].c?d.a.a+=Fa:9==a.c[b].c?(e=Gd,a=a.c[b].d,null!=a&&(e=a),Bp(d.a,e)):1==e[b]?d.a.a+=tc:-1==e[b]&&(d.a.a+=Yf)}\nfunction bG(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(gJ,u,120,b,0);for(c=1;c<=b;++c)d[c-1]=new rN(a.k,a,c);return d}function HH(a,b,c,d){a=c-a;b=d-b;return a*a+b*b}\nfunction QI(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,mu(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:mu(a.k,"Stereomarking allowed only on single and double bonds!")}\nfunction xJ(a,b,c,d){var e,f,g,h,j,l,o,m,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,!rM(a.b[f])||!rM(a.b[b])){e=null;rM(a.b[f])?e=zJ(a,b):rM(a.b[b])&&(e=zJ(a,f));if(null!=e)if(1==(e[0]-1)%2)f=e[1],b=e[e[0]];else return;e=z(B,q,-1,[f,b]);for(o=0,j=e.length;o<j;++o)if(h=e[o],h=a.b[h].j,2>h||3<h)return;c[f]>c[b]&&(j=f,f=b,b=j);j=qN(a,f);h=j[0];l=j[1];e=0;o=!1;0<l&&c[h]>c[l]&&(j=h,h=l,l=j);j=jJ(a,f,h);0!=d[j]?e=h:1==a.c[j].c&&5!=a.d[j]&&(e=h);0==e&&0<l&&(j=jJ(a,f,\nl),0!=d[j]?e=l:1==a.c[j].c&&5!=a.d[j]&&(e=l));c[e]>c[f]&&(o=!0);j=qN(a,b);l=j[0];g=j[1];h=0;0<g&&c[l]<c[g]&&(j=l,l=g,g=j);j=jJ(a,b,l);1==a.c[j].c&&5!=a.d[j]&&0==d[j]&&(h=l);0==h&&0<g&&(j=jJ(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))mu(a.k,"Not unique E/Z 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7:3>g?e.i=3-g+c.b[d].n:3==g?0>c.b[d].n?(c.b[d].n=0,e.i=0):0<c.b[d].n?e.i=c.b[d].n:e.i=0:(c.b[d].n=4==g?1:6==g?-1:g-5,e.i=0);break;case 5:2==g&&(0>c.b[d].n?(c.b[d].n=0,e.i=0):0<c.b[d].n?e.i=c.b[d].n:e.i=0);2<g&&(c.b[d].n=g-2);e.i=2-g+c.b[d].n;break;case 8:case 13:2>g?e.i=2-g+c.b[d].n:2==g?0>c.b[d].n?(c.b[d].n=0,e.i=0):0<c.b[d].n?e.i=c.b[d].n:e.i=0:3==g?2==c.b[d].j?(c.b[d].n=0,e.i=1):(c.b[d].n=1,e.i=\n0):4==g?(c.b[d].n=0,e.i=0):5==g?(c.b[d].n=0,e.i=1):(c.b[d].n=g-6,e.i=0);break;case 9:case 10:case 11:case 12:1<=g&&(c.b[d].n=g-1);e.i=1-g+c.b[d].n;2<g&&(c.b[d].n=0,e.i=0);break;case 33:case 32:e.i=0}f=TF(e.a);if(0<f)for(;e.n+e.i+g>f;)if(0<e.i)--e.i;else if(0<e.n)--e.n;else break;0>e.i&&(e.i=0)}}}function zG(a){dN(this);this.b[0]=new hJ;this.t=this.q=this.p=0;this.k=a}\nfunction iI(a,b){var c,d,e,f,g,h,j,l,o;zG.call(this,a);if(null!=b&&(f=n,l=gI(b),null!=l)){o=new 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