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kE(){kE=x;lE=y(Yu,q,1,["Copyright (c) 2017, Novartis Institutes for BioMedical Research Inc. and Bruno Bienfait.","All rights reserved."]);mE=(sB(),vB);nE=IB(mE);oE=y(A,u,-1,[301,3,401,4,501,5,701,9,801,10,901,11,1001,12,601,8,1101,7,1300,1,1201,32,1301,33]);pE=C(qE,q,58,43,0);rE=C(Yu,q,1,43,0);sE=C(qE,q,58,7,0);tE=null!=(bD(),cD[Oh]);uE=C(vE,q,62,100,0);wE=C(xE,q,63,100,0);var a,b;for(a=1;42>=a;++a)0<yE(a)?pE[a]=(sB(),xB):(pE[a]=(sB(),CB),rE[a]=Kf);rE[1]=Ee;pE[1]=(sB(),xB);rE[2]=Fd;pE[2]=\nCB;rE[3]=Rd;pE[3]=xB;rE[4]=bf;pE[4]=HB;rE[5]=gf;pE[5]=BB;rE[9]=xe;pE[9]=EB;rE[10]=ge;pE[10]=EB;rE[11]=Qd;pE[11]=EB;rE[12]=Ge;pE[12]=EB;rE[8]=sf;pE[8]=JB(DB);rE[7]=hf;pE[7]=CB;rE[6]=wf;pE[6]=xB;rE[13]=uf;pE[13]=xB;rE[32]=Kf;pE[32]=xB;rE[14]=Re;rE[16]=Se;rE[15]=df;rE[17]=qf;rE[18]=qe;rE[19]=Be;rE[20]=rd;rE[21]=af;rE[22]=Xd;rE[24]=xf;rE[23]=Kd;rE[25]=Lf;rE[26]=ef;rE[27]=re;rE[28]=Yd;rE[29]=ud;rE[30]=De;rE[31]=xd;for(a=33;42>=a;++a)b=kf,33<a&&(b+=a-33),rE[a]=b,pE[a]=xB}\nfunction zE(a){var b;if(a.dc)b=AE(a,1)+bd+AE(a,2)+bd+AE(a,3);else if(b=AE(a,0),0<b.length){var c=new BE(a.ob);vm(a.qb.a,c)}return b}function CE(a){var b,c,d;d=!1;if(0<a.ob.v||0<a.ob.w)if(d=!0,0<a.ob.v?(DE(a.ob,a.ob.v),EE(a,"delAtom",a.ob.v),a.ob.v=0):(FE(a.ob,a.ob.w),EE(a,"delBond",a.ob.v),a.ob.w=0),GE(a.ob),b=HE(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 IE(a,b){var c,d,e,f;JE(a,!1);c=b.a;if(J(c,bc))ht(zE(a));else if(J(c,ec))ht(it(a,!0,!1));else if(J(c,gc))ht(it(a,!0,!0));else if(J(c,Mc))a.Tb&&(c=a.r,null==c.i&&(c.i="PASTE"),jt(a.E,(!a.Ub&&(a.Ub=new kt(a)),a.Ub)));else if(J(c,qc))a.Xf(3);else if(J(c,rc))a.Xf(4);else if(J(c,sc))a.Xf(5);else if(J(c,Cc))jq(6,new KE(a));else if(J(c,Dc))a.gg();else if(J(c,Lc))jq(1,new LE(a));else if(J(c,uj))7!=a.cb&&(a.db=Gk),d=b.c,d=Iv(d,Fk),c=uv(d,a.db),e=!rv(c,Gk)?mv(c):c,!rv(e,Mk)&&ME(a.ob,Q(c)),a.Ib=!0,a.cb=\n7,a.db=d;else if(c==Af||c==vf){if(e=NE(a.ob,(OE(),c==vf?PE:QE)))a.ob.f.a?gt(a,"Chiral flag is set"):gt(a,"No Chiral flag"),RE(a,"changeChiral",a.o,0,0),a.Ib=!0}else if(c==Ed){f=SE(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,RE(a,"changeManyAtomMap",a.o,0,0))}else if(c==te){c=a.ob;e=!1;for(d=1;d<=c.p;++d)e=TE(c.b[d])||e;(a.Ib=e)&&RE(a,"deleteAtomMaps",a.o,0,0)}else c==ue?(a.Ib=UE(a.ob),a.Ib&&RE(a,"deleteHydrogens",a.o,0,0)):J(c,Bj)||(J(c,mh)?a.hc=!0:VE(a,c));\n(a.Ib||a.Gb)&&a.Ze(a.Ec.d)}\nfunction WE(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=C(XE,Ml,-1,99,1);h=o=n=0;for(g=b;g<=c;++g)f=YE(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=ZE(a):r=$E(a);f=Uu(r.b);r=Uu(r.a);1==d||3==d?f=~~((f-48)/2):2==d&&(r=~~(r/2));n>=f&&(g=f/n);h>=r&&(j=r/h);h=0;a.J&&(a.xb=g<j?g:j,a.cg("alignMolecules Depict: molecularAreaScale="+a.xb+" xsize="+f+" ysize="+r+ba),h=25*f/n,2==d&&(h=25*r/o));for(g=b;g<=c;++g)2==\nd?l[g]=l[g]*r/o:l[g]=l[g]*f/n;n=-f/2;o=0;1==d?n=-f-24:3==d?n=24:2==d&&(n=0,o=-r);for(g=b;g<=c;++g){a.J&&aF(a.zb[g]);2==d?o+=l[g]/2+h:n+=l[g]/2+h;if(!e)for(b=1;b<=a.zb[g].p;++b)bF(a.zb[g].b[b],n/a.xb,o/a.xb);2==d?o+=l[g]/2:n+=l[g]/2;a.J||cF(a.zb[g])}}}function dF(a,b){var c;a.k=202;a.Mb=!1;gt(a,m);if(0!=a.Sb){a.Ib=!0;a.q=!0;for(c=a.o;c<a.Sb;++c)a.zb[c]=a.zb[c+1];--a.Sb;a.o=a.Sb;0<a.Sb?a.ob=a.zb[a.o]:(a.ob=new eF(a),a.ob.o=0);b&&(!!a.r&&fF(Pp(a.r,"clear"),0,0,0),a.hc=!0)}}\nfunction gF(a){a.Sb=0;a.o=0;a.ob=new eF(a);a.ob.o=0;a.sb=null;a.Ib=!0}\nfunction hF(a,b){var c,d,e,f,g;g=new qC;e=tf;d="MOL";f="MOL or SDF";OE();a:{for(c=1;c<=a.Sb;++c)if(0<a.zb[c].p){c=(OE(),OE(),PE);break a}c=(OE(),OE(),QE)}c=c.a?QE:PE;b&&(e="SMIRKS",f=d=pf);a.Ac&&(f+=" or "+e,!b&&a.zc&&(f+=" or OCL ID code"));e=new jC(pe+e);e.c=bc;oC(g,e);iC(e,!c.a);lB(e.d,a);e=new jC(pe+d);e.c=ec;lB(e.d,a);oC(g,e);b||(e=new jC(pe+d+" V3000"),e.c=gc,lB(e.d,a),oC(g,e),a.Uf()&&(a.N&&(e=new jC("Copy as InChI"),e.c=qc,lB(e.d,a),iC(e,!c.a),oC(g,e)),a.P&&(e=new jC("Copy as InChI key"),e.c=\nrc,lB(e.d,a),iC(e,!c.a),oC(g,e)),a.kc&&(e=new jC("Search chemical structure (through InChIKey)"),e.c=Dc,lB(e.d,a),iC(e,!c.a),oC(g,e)),a.O&&(e=new jC("Copy as InChI auxinfo"),e.c=sc,lB(e.d,a),iC(e,!c.a),oC(g,e))));a.Ac&&a.Q&&!b&&(e=new jC("Copy as Scalar Vector Graphics"),e.c=Lc,lB(e.d,a),oC(g,e));a.Ac&&a.zc&&!b&&(e=new jC("Copy as OCL ID code"),e.c=Cc,lB(e.d,a),iC(e,!c.a),oC(g,e));a.Tb&&(oC(g,new jC($a)),d=a.Wb,null==d&&(d="Paste "+f),e=new jC(d),e.c=Mc,lB(e.d,a),oC(g,e));lA(a,g);return g}\nfunction iF(a,b,c,d){return new jF(a.Yf(!b?null:b.a,Q(L(Math.round(c))),Q(L(Math.round(d)))))}\nfunction kF(a,b,c,d){var 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);lF(b,mE);a.Lb?(f==a.k&&lF(b,JB(mE)),mF(b,j,g,a.mb,a.mb),lF(b,(sB(),xB)),nF(b,j,g,a.mb-1,a.mb-1)):f==a.k?oF(b,j+1,g+1,a.mb,a.mb,!1):oF(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(lF(b,(sB(),zB)),f){case 101:lF(b,DB);pF(b,j+3,g+3,a.mb-6,a.mb-6);lF(b,zB);e=g+3;h=a.mb-6;c=\na.mb-6;d=b.a;f=Q(L(R((j+3)*S)));e=Q(L(R(e*S)));h=Q(L(R(h*S)));c=Q(L(R(c*S)));d.o&&(qF(d,!1),rF(d,sF(d,f,e,h,c)));tF(b,j+6,g+6,a.mb-12,a.mb-12);uF(b.a,Q(L(R((j+9)*(vF(),S)))),Q(L(R((g+9)*S))),Q(L(R(2*S))),Q(L(R(4*S))));mF(b,j+a.mb-10,g+9,2,4);0.04>Math.random()&&(lF(b,BB),uF(b.a,Q(L(R((j+10)*S))),Q(L(R((g+18)*S))),Q(L(R(4*S))),Q(L(R(4*S)))));0.96<Math.random()&&(lF(b,DB),mF(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;wF(b,f,g+a.mb-c,h,g+a.mb/2);wF(b,j+a.mb/2,g+a.mb/2,e,g+a.mb-\nc);l=g+a.mb-c;d=a.mb/24;xF(b.a,Q(L(R((h-d)*(vF(),S)))),Q(L(R(l*S))),Q(L(R((h-2*d)*S))),Q(L(R(l*S))));xF(b.a,Q(L(R((h+d)*S))),Q(L(R(l*S))),Q(L(R((h+2*d)*S))),Q(L(R(l*S))));lF(b,EB);wF(b,f,g+c,h,g+a.mb/2);wF(b,j+a.mb/2,g+a.mb/2,e,g+c);l=g+c;xF(b.a,Q(L(R((h-d)*S))),Q(L(R(l*S))),Q(L(R((h-2*d)*S))),Q(L(R(l*S))));xF(b.a,Q(L(R((h+d)*S))),Q(L(R(l*S))),Q(L(R((h+2*d)*S))),Q(L(R(l*S))));lF(b,zB);break;case 107:lF(b,CB);mF(b,j+4,g+4,a.mb-8,a.mb-8);lF(b,zB);nF(b,j+4,g+4,a.mb-8,a.mb-8);tF(b,j+6,g+6,a.mb-11,a.mb-\n12);uF(b.a,Q(L(R((j+9)*(vF(),S)))),Q(L(R((g+9)*S))),Q(L(R(2*S))),Q(L(R(4*S))));mF(b,j+a.mb-10,g+9,2,4);break;case 108:d=a.mb/4;wF(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;xF(b.a,Q(L(R(j*(vF(),S)))),Q(L(R(f*S))),Q(L(R(c*S))),Q(L(R(f*S))));g+=a.mb/3;a=j-d;xF(b.a,Q(L(R(a*S))),Q(L(R(g*S))),Q(L(R(j*S))),Q(L(R(g*S))));j=(a+j)/2;g-=d/2;a=g+d;xF(b.a,Q(L(R(j*S))),Q(L(R(g*S))),Q(L(R(j*S))),Q(L(R(a*S))));break;case 113:a.lc&&(d=c/2,f=a.mb-2*c-2*d,c=j+d+c,e=g+(c-j),lF(b,GB),yF(b.a,\nQ(L(R(c*(vF(),S)))),Q(L(R(e*S))),Q(L(R(f*S))),Q(L(R(f*S)))),lF(b,yB),h=j+a.mb/2,a=g+a.mb/2,l=c+f,n=g+d,g=n+d,xF(b.a,Q(L(R(c*S))),Q(L(R(g*S))),Q(L(R(h*S))),Q(L(R(n*S)))),xF(b.a,Q(L(R(h*S))),Q(L(R(n*S))),Q(L(R(l*S))),Q(L(R(g*S)))),g=e+f+d,n=g+d,xF(b.a,Q(L(R(c*S))),Q(L(R(g*S))),Q(L(R(h*S))),Q(L(R(n*S)))),xF(b.a,Q(L(R(h*S))),Q(L(R(n*S))),Q(L(R(l*S))),Q(L(R(g*S)))),j+=d,l=j+d,g=e+f,xF(b.a,Q(L(R(l*S))),Q(L(R(e*S))),Q(L(R(j*S))),Q(L(R(a*S)))),xF(b.a,Q(L(R(j*S))),Q(L(R(a*S))),Q(L(R(l*S))),Q(L(R(g*S)))),j=\nc+f+d,l=j+d,xF(b.a,Q(L(R(j*S))),Q(L(R(e*S))),Q(L(R(l*S))),Q(L(R(a*S)))),xF(b.a,Q(L(R(l*S))),Q(L(R(a*S))),Q(L(R(j*S))),Q(L(R(g*S)))));break;case 110:zF(b,j,g,a.mb,!0);break;case 111:zF(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;lF(b,GB);AF(b,y(XE,Ml,-1,[f,c,e]),y(XE,Ml,-1,[h,l,h]),3);f=c;l=h+d/2;h=l+d;AF(b,y(XE,Ml,-1,[f,c+d/2,f+d]),y(XE,Ml,-1,[h,l,h]),3);a.R=new mC(Uu(j),Uu(g));break;case 109:wF(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);wF(b,j+a.mb-c,g+a.mb/2,j+a.mb-3*c/2,g+a.mb/2+\nc/2);wF(b,j+a.mb-c,g+a.mb/2,j+a.mb-3*c/2,g+a.mb/2-c/2);break;case 102:lF(b,uB);mF(b,j+3,g+5,a.mb-7,a.mb-11);lF(b,zB);nF(b,j+3,g+5,a.mb-7,a.mb-11);break;case 103:lF(b,mE);a.Mb&&oF(b,j+1,g+1,a.mb,a.mb,!1);lF(b,zB);BF(a,b,j,g,"NEW");break;case 106:lF(b,BB);wF(b,j+7,g+7,j+a.mb-7,g+a.mb-7);wF(b,j+8,g+7,j+a.mb-6,g+a.mb-7);wF(b,j+7,g+a.mb-7,j+a.mb-7,g+7);wF(b,j+8,g+a.mb-7,j+a.mb-6,g+7);lF(b,zB);wF(b,j+c,g+a.mb/2,j+12,g+a.mb/2);BF(a,b,j+6,g,kf);break;case 104:lF(b,BB);wF(b,j+7,g+7,j+a.mb-7,g+a.mb-7);wF(b,\nj+8,g+7,j+a.mb-6,g+a.mb-7);wF(b,j+7,g+a.mb-7,j+a.mb-7,g+7);wF(b,j+8,g+a.mb-7,j+a.mb-6,g+7);lF(b,zB);break;case 105:a.sc?(lF(b,FB),pF(b,j+3,g+3,a.mb-6,a.mb-6),lF(b,zB)):BF(a,b,j,g,"123");break;case 114:lF(b,HB);d=a.mb-8;f=j+(a.mb-d)/2;c=g+(a.mb-d)/2;uF(b.a,Q(L(R(f*(vF(),S)))),Q(L(R(c*S))),Q(L(R(d*S))),Q(L(R(d*S))));lF(b,zB);CF(a,b,j,g,uB,Jh);break;case 201:wF(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2+2);wF(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2-2);wF(b,j+a.mb-c,g+a.mb/2+2,j+a.mb-c,g+a.mb/2-2);break;case 202:wF(b,\nj+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);break;case 203:wF(b,j+c,g+a.mb/2-2,j+a.mb-c,g+a.mb/2-2);wF(b,j+c,g+a.mb/2+2,j+a.mb-c,g+a.mb/2+2);break;case 204:wF(b,j+c,g+a.mb/2,j+a.mb-c,g+a.mb/2);wF(b,j+c,g+a.mb/2-3,j+a.mb-c,g+a.mb/2-3);wF(b,j+c,g+a.mb/2+3,j+a.mb-c,g+a.mb/2+3);break;case 205:xF(b.a,Q(L(R((j+c/2)*(vF(),S)))),Q(L(R((g+2*c+c/3)*S))),Q(L(R((j+3*(c/2))*S))),Q(L(R((g+2*c-c/3)*S))));xF(b.a,Q(L(R((j+3*(c/2))*S))),Q(L(R((g+2*c-c/3)*S))),Q(L(R((j+5*(c/2))*S))),Q(L(R((g+2*c+c/3)*S))));xF(b.a,Q(L(R((j+5*(c/\n2))*S))),Q(L(R((g+2*c+c/3)*S))),Q(L(R((j+7*(c/2))*S))),Q(L(R((g+2*c-c/3)*S))));break;case 206:DF(a,b,j,g+2,3);break;case 207:DF(a,b,j,g,4);break;case 208:DF(a,b,j,g,5);break;case 209:DF(a,b,j,g,1);break;case 210:DF(a,b,j,g,6);break;case 211:DF(a,b,j,g,7);break;case 212:DF(a,b,j,g,8);break;case 213:BF(a,b,j,g,"FG"),a.T=new mC(Uu(j),Uu(g))}else d=EF(a,f),CF(a,b,j,g,pE[d],rE[d])}\nfunction FF(a,b,c){var d,e,f;d=0;b=Q(L(R(b/a.nb)));c=Q(L(R(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<=GF+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 HF(a){var b;b=9;a.cc&&++b;a.Bc&&++b;return b}\nfunction IF(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);lF(b,(sB(),GB));AF(b,y(XE,Ml,-1,[f,c,f]),y(XE,Ml,-1,[e,d,a]),3)}\nfunction JF(a){var b,c,d,e,f;a.cg("drawMolecularArea  mustReDrawMolecularArea="+a.Ib+ba);if(a.Ib){if(a.r&&null!=a.r.a&&a.r.a!=qk&&a.r.a!=pj)for(b=1;b<=a.Sb;++b)GE(a.zb[b]);e=KF(a.vb,a.xb);c=a.yb;b=a.ub;a.cg("drawMolecularArea  "+c+" : "+b+" scale: "+a.xb+ba);lF(e,a.D);c/=a.xb;b/=a.xb;uF(e.a,Q(L(R(0*(vF(),S)))),Q(L(R(0*S))),Q(L(R(c*S))),Q(L(R(b*S))));d=a.tb?(tC(),wC):(tC(),yC);f=(tC(),uC);var g=e.a;if(f==(tC(),uC))d==wC?g.b=Zc:g.b=Wc;d=new pB(a.wb);e.d=new pB(S*d.e);LF(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,z=j=t=void 0,v=z=n=void 0,E=o=v=r=h=v=void 0,s=void 0,F=void 0,P=o=void 0,M=l=o=v=t=h=j=v=j=E=t=h=F=z=h=void 0,l=P=r=P=E=r=t=n=M=l=n=t=t=void 0,z=h=1;g.c=f.k.D;f.k.L&&(lF(g,(sB(),zB)),nF(g,0,0,f.k.M.b-1,f.k.M.a-1));if(0!=f.p){f.y&&(s=g,n=f.y,s.b=n,s.f=s.a.e,MF(s.a,n));f.s&&(aF(f),WE(f.k,1,f.k.Sb,0,!1),f.s=!1);NF(f.k,f.k.x);if(-1==f.i){for(s=1;s<=f.p;++s)n=f.b[s].c,0<n&&7>n&&(lF(g,(kE(),sE)[n]),pF(g,f.b[s].q-12,f.b[s].r-\n12,24,24));for(s=1;s<=f.q;++s)l=f.c[s].i,o=f.c[s].j,0!=f.b[l].c&&f.b[l].c==f.b[o].c&&(lF(g,(kE(),sE)[f.b[l].c]),v=f.b[o].q-f.b[l].q,h=f.b[o].r-f.b[l].r,z=Math.sqrt(v*v+h*h),1>z&&(z=1),h/=z,z=v/z,v=9*h,t=9*z,n=OF(4),r=OF(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,AF(g,n,r,4))}for(s=1;s<=f.q;++s){lF(g,(sB(),yB));t=f.c[s];l=t.i;o=t.j;1==f.i&&0!=f.b[l].c&&f.b[l].c==f.b[o].c&&lF(g,(kE(),sE)[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;M=f.b[o].q;P=f.b[o].r;if(1!=t.c||0!=t.f)v=M-n,h=P-r,z=Math.sqrt(v*v+h*h),1>z&&(z=1),h/=z,z=v/z;switch(t.c){case 2:10<=t.f&&lF(g,EB);v=2*h;t=2*z;xF(g.a,Q(L(R((n+v)*(vF(),S)))),Q(L(R((r-t)*S))),Q(L(R((M+v)*S))),Q(L(R((P-t)*S))));xF(g.a,Q(L(R((n-v)*S))),Q(L(R((r+t)*S))),Q(L(R((M-v)*S))),Q(L(R((P+t)*S))));lF(g,zB);break;case 3:xF(g.a,Q(L(R(n*(vF(),S)))),Q(L(R(r*S))),Q(L(R(M*S))),Q(L(R(P*S))));l=3*h;o=3*z;xF(g.a,Q(L(R((n+l)*S))),Q(L(R((r-o)*S))),Q(L(R((M+l)*S))),Q(L(R((P-\no)*S))));xF(g.a,Q(L(R((n-l)*S))),Q(L(R((r+o)*S))),Q(L(R((M-l)*S))),Q(L(R((P+o)*S))));break;case 9:case 0:for(o=0;10>o;++o)l=n-(n-M)/10*o,E=r-(r-P)/10*o,xF(g.a,Q(L(R(l*(vF(),S)))),Q(L(R(E*S))),Q(L(R(l*S))),Q(L(R(E*S))));PF(g,f.k.v);o=QF(f.k.w);t=t.d;l=cd;null!=t&&(l=t);t=AC(f.k.w,l);t=(n+M)/2-t/2;P=(r+P)/2+~~(o/2)-1;lF(g,EB);RF(g.a,l,Q(L(R(t*(vF(),S)))),Q(L(R(P*S))));lF(g,zB);break;default:if(1==t.f||3==t.f)v=3*h,t=3*z,E=OF(3),j=OF(3),E[0]=M+v,j[0]=P-t,E[1]=n,j[1]=r,E[2]=M-v,j[2]=P+t,AF(g,E,j,3);else if(2==\nt.f||4==t.f){v=3*h;t=3*z;for(o=0;10>o;++o)l=n-(n-M)/10*o,E=r-(r-P)/10*o,j=o/10,xF(g.a,Q(L(R((l+v*j)*(vF(),S)))),Q(L(R((E-t*j)*S))),Q(L(R((l-v*j)*S))),Q(L(R((E+t*j)*S))))}else xF(g.a,Q(L(R(n*(vF(),S)))),Q(L(R(r*S))),Q(L(R(M*S))),Q(L(R(P*S))))}}z=OF(f.p+1);h=OF(f.p+1);for(s=1;s<=f.q;++s)l=f.c[s].i,o=f.c[s].j,n=f.b[l].q,r=f.b[o].q,++h[l],++h[o],z[l]=z[l]/h[l]+r/h[l],z[o]=z[o]/h[o]+n/h[o];PF(g,f.k.v);o=QF(f.k.w);M=OF(f.p+1);r=OF(f.p+1);n=C(SF,q,120,f.p+1,0);for(s=1;s<=f.p;++s)l=TF(f,s),(null==l||1>l.length)&&\n(l=Ma),j=f.b[s],3==f.b[s].a&&0<f.b[s].j&&0==f.b[s].n&&0==j.d&&!(4<=j.o&&2==j.j)?(M[s]=r[s]=AC(f.k.w,l),n[s]=UF(f,s,M[s],M[s],o,!1)):(P=z[s]<f.b[s].q,v=!0,1<h[s]&&8.333333333333334>VF(z[s]-f.b[s].q)&&(v=!1),2<h[s]&&(v=!1),1==h[s]&&2.5>VF(z[s]-f.b[s].q)&&(P=!0),t=l,E=m,f.k.oc&&(F=f.b[s].i,0<F&&(E+=Ee,1<F&&(E+=F))),F=m,0!=j.d&&(F=Mf+j.d+Tf),j=m,0!=f.b[s].n&&(1<WF(f.b[s].n)&&(j+=WF(f.b[s].n)),0<f.b[s].n?j+=Oa:j+=$a),P||!v?l=F+l+E+j+m:l=j+E+m+F+l,v||(t=l),t=AC(f.k.w,t),v=AC(f.k.w,l),M[s]=t,r[s]=v,v=n[s]=\nUF(f,s,t,v,o,P),t=v.c+2+1,P=v.d+o+2,lF(g,g.c),-1==f.i&&0!=f.b[s].c&&lF(g,(kE(),sE)[f.b[s].c]),mF(g,v.c,v.d,v.b,v.a),1==f.i?0!=f.b[s].c?lF(g,(kE(),sE)[f.b[s].c]):lF(g,(sB(),zB)):lF(g,(kE(),pE)[f.b[s].a]),RF(g.a,l,Q(L(R(t*(vF(),S)))),Q(L(R(P*S)))));for(s=1;s<=f.p;++s)h=f.b[s],-99199!=h.f&&(t=M[s],v=r[s],t=f.b[s].q-t/2,P=f.b[s].r+~~(o/2)-1,lF(g,(sB(),EB)),XF(g,ea+(-99199!=h.f?h.f:0),t+v,P));if(0<f.v||0<f.w)if(lF(g,104==f.k.k?(sB(),BB):(sB(),HB)),0<f.v&&106!=f.k.k&&(v=n[f.v],nF(g,v.c,v.d,v.b,v.a)),0<\nf.w&&(l=f.c[f.w].i,o=f.c[f.w].j,v=f.b[o].q-f.b[l].q,h=f.b[o].r-f.b[l].r,z=Math.sqrt(v*v+h*h),1>z&&(z=1),h/=z,z=v/z,v=4*h,t=4*z,E=OF(5),j=OF(5),E[0]=f.b[l].q+v,E[1]=f.b[o].q+v,j[0]=f.b[l].r-t,j[1]=f.b[o].r-t,E[3]=f.b[l].q-v,E[2]=f.b[o].q-v,j[3]=f.b[l].r+t,j[2]=f.b[o].r+t,E[4]=E[0],j[4]=j[0],106!=f.k.k&&YF(g,E,j,5),106==f.k.k&&ZF(f,f.c[f.w].i,f.c[f.w].j))){h=0;for(s=1;s<=f.p;++s)0<f.a[s]&&++h;if(h>~~(f.p/2))for(s=1;s<=f.p;++s)0<f.a[s]?f.a[s]=0:f.a[s]=1;lF(g,(sB(),BB));for(s=1;s<=f.p;++s)0<f.a[s]&&(v=\nn[s],nF(g,v.c,v.d,v.b,v.a))}f.y&&(g.b=null,MF(g.a,g.f))}}a.dc&&(d=(c-48)/2,lF(e,(sB(),EB)),xF(e.a,Q(L(R(d*S))),Q(L(R(b/2*S))),Q(L(R((d+48)*S))),Q(L(R(b/2*S)))),xF(e.a,Q(L(R((d+48)*S))),Q(L(R(b/2*S))),Q(L(R((d+48-6)*S))),Q(L(R((b/2+6)*S)))),xF(e.a,Q(L(R((d+48)*S))),Q(L(R(b/2*S))),Q(L(R((d+48-6)*S))),Q(L(R((b/2-6)*S)))));a.J&&(a.hb=new cC(Fe,0,13),a.kb=pA(a.hb),null!=a.sb&&(d=AC(a.kb,a.sb),d=(c-d)/2,f=b-13,lF(e,(sB(),zB)),PF(e,a.hb),XF(e,a.sb,d,f)));a.J&&a.nc&&IF(a,e,c,b,0.6/a.xb);$F(a.vb.a,Q(L(R(aG(a,\na.nb)))),Q(L(R(bG(a,a.nb)))),a);a.Ib=!1;if(a.hc){bD();c=new cG;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 BE(d);else break;c.i=a.dc;c.e=a.Fb;c.b=a.xb;c.c=a.cb;e=a.pb;b=new dG(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&&RD(a.Qb,null),a.r&&null!=a.r.a&&a.$f(),eG(a.r),a.Mb&&(a.Mb=!1,a.Kb=!0,a.Ze(a.Ec.d)))}}function fG(a){a.Ib=!0;a.vb?(JF(a),a.Ib=!1):gG(a)}\nfunction DF(a,b,c,d,e){var f,g,h,j,l;f=a.mb/4;g=!1;j=C(XE,Ml,-1,9,1);l=C(XE,Ml,-1,9,1);c+=a.mb/2;d+=a.mb/2;f=a.mb/2-f/2;1==e&&(e=6,g=!0);for(a=0;a<=e;++a)h=6.283185307179586/e*(a-0.5),j[a]=c+f*Math.sin(h),l[a]=d+f*Math.cos(h);YF(b,j,l,e+1);if(g){for(a=0;a<=e;++a)h=6.283185307179586/e*(a-0.5),j[a]=c+(f-3)*Math.sin(h),l[a]=d+(f-3)*Math.cos(h);wF(b,j[0],l[0],j[1],l[1]);wF(b,j[2],l[2],j[3],l[3]);wF(b,j[4],l[4],j[5],l[5])}}\nfunction zF(a,b,c,d,e){var f,g,h,j,l,n,o,r;l=d/4;c-=1;n=2+l/2;g=2+l;r=c+10*d/24;j=r+l;o=b+d;e?(h=2+b,f=n+b,g+=b):(f=o-n,h=o-2,g=o-g);xF(a.a,Q(L(R(h*(vF(),S)))),Q(L(R(r*S))),Q(L(R(f*S))),Q(L(R(j*S))));xF(a.a,Q(L(R(g*S))),Q(L(R(r*S))),Q(L(R(f*S))),Q(L(R(j*S))));h=l/3-0.5;xF(a.a,Q(L(R(f*S))),Q(L(R((r+h)*S))),Q(L(R(f*S))),Q(L(R(j*S))));f=d-n-4;c=c+n-h;d=d-4-h-1;j=270;e?(b+=n,e=270):(b=o-f-n,j*=-1,e=-90);hG(a.a,Q(L(R(b*S))),Q(L(R(c*S))),Q(L(R(f*S))),Q(L(R(d*S))),Q(L(Math.round(e))),Q(L(Math.round(j))))}\nfunction SE(a){var b,c,d;b=-99999;for(d=1;d<=a.Sb;++d)c=a.zb[d],c=iG(c),c>b&&(b=c);return b}\nfunction jG(a,b,c,d){var e=tE?350:170,f,g,h,j;kG(d);b=lG(a,b);c=lG(a,c);h=e;for(g=1;g<=a.Sb;++g){j=new mG(e);f=a.zb[g];for(var l=b,n=c,o=j,r=void 0,t=void 0,z=void 0,v=void 0,E=r=r=r=v=r=void 0,s=void 0,F=void 0,P=t=z=r=r=void 0,M=void 0,$=void 0,E=0,F=o.a,s=1;s<=f.q;++s)r=nG(l,n,f.c[s].a,f.c[s].b),r<F&&(F=r,E=s);E*=-1;for(s=1;s<=f.p;++s)r=nG(l,n,f.b[s].q,f.b[s].r),r<F&&(F=r,E=s);if(0==E)for(s=1;s<=f.q;++s)r=f.c[s].i,v=f.c[s].j,t=f.b[r].q,z=f.b[r].r,r=f.b[v].q,v=f.b[v].r,r-=t,v-=z,M=l-t,$=n-z,z=r*\nr+v*v,t=M*M+$*$,P=nG(M,$,r,v),t+P>z+F||(r=M*r+$*v,0>r||(z=Math.sqrt(z),t=Math.sqrt(t),r/=z*t,1<=r||(r=1.5707963267948966-Math.acos(r),r=t*Math.cos(r),r*=r,r<F&&(E=-s,F=r))));o.a=F;f=E;j.a<h&&(h=j.a,kG(d),d.c=g,0<f?d.a=f:d.b=-f)}}function ZE(a){var b;(0>=a.yb||0>=a.ub)&&(!a.M&&(a.M=bB(a)),oG(a,a.M));b=new pG;b.b=a.yb;b.a=a.ub;return b}function $E(a){var b;b=ZE(a);b.b/=a.xb;b.a/=a.xb;return b}function KF(a,b){a.b.a.a=b/S;return a.b}\nfunction qG(a,b,c,d){var e,f;if(!b||rG(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,om(a.Uc,f)));f=a.ob;var g,b=new qC;e=a.Rb||a.A||a.dc;f.f.a?g=new jC(Af):g=new jC(vf);iC(g,sG(f));oC(b,g);lB(g.d,a);if(e&&0<f.v){g=new jC(fe);lB(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;oC(b,g)}g=new jC(ue);a:{for(h=f.p;1<=h;--h)if(1==f.b[h].a){h=!0;break a}h=!1}iC(g,h);oC(b,g);lB(g.d,a);e&&(e=new jC(Ed),lB(e.d,a),oC(b,e),e=new jC(te),\nlB(e.d,a),oC(b,e),iC(e,0<iG(f)));a.xc=b;lA(a,a.xc);tG(a.xc.a,a,c,d)}else a.dc?f=(a.G=hF(a,!0),a.G):f=(a.F=hF(a,!1),a.F),rG(b)||(c=Uu(c*a.nb+0.5),d=Uu(d*a.nb+0.5)),tG(f.a,a,c,d);d=new ft(null,0,uG(0));vG(a,d,0,0);return!0}return!1}\nfunction wG(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=(sB(),AB);a.ob.y=d;a.yc=a.ob;break;case 109:c="Copy selected (blue) molecule to the other side of the reaction",d=(sB(),GB),a.ob.y=d,a.yc=a.ob}null!=c?(gt(a,c),a.Ib=!0,a.Kb=!0):(a.Ib=!1,a.Kb=!1);return null!=c}\nfunction xG(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;gt(a,m);a.Ib=!0;a.Kb=!0}else a.Ib=!1,a.Kb=!1;return a.Ib}\nfunction yG(a,b,c,d){var e,f,b=new zG(b);e=null;f=!1;AG(a.r,pd);gt(a,m);if(b.f==(BG(),CG)&&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==(DG(),EG)&&b.i!=(FG(),GG)?HG(a,b.b,d)||(e="Invalid V2000 molfile"):b.a==IG?JG(a,b.b,d)||(e="Invalid JME string"):b.a==KG?e="Reading "+b.f+ka:a.Ac&&(f=!0,jq(1,new LG(a,b,c,d)));f||(a.Ib=null==e,c?null==e?MG(c):NG(c,new vp(e)):null!=e&&(gt(a,we+e),a.Ze(a.Ec.d)))}\nfunction HG(a,b,c){var d,e,f,g,h,j;gt(a,m);if(0==b.indexOf(ua)){a.Sb=0;a.dc=!0;a.Fb=!0;d=OG(b);h=new JD(b,d,!0);b=m;for(e=1;5>=e;++e)b=PG(h,d);e=uG(qD(gx(b.substr(0,3)),10)).a;g=uG(qD(gx(b.substr(3,3)),10)).a;PG(h,d);for(b=1;b<=e+g;++b){for(f=m;!(j=PG(h,d),null==j||J(j,"$MOL"));)f+=j+d;a.zb[++a.Sb]=new QG(a,f)}a.xb=1;WE(a,1,e,1,!1);WE(a,e+1,e+g,3,!1);d="readRXNFile"}else{(a.J||a.Vb)&&(a.dc=!1);a.ob=new QG(a,b);if(!a.ob||0==a.ob.p)return!a.ob&&(gt(a,"ERROR - problems in reading/processing MOL input"),\na.Ze(a.Ec.d)),!!a.ob;d=(a.dc||a.Fb)&&a.p||a.Mb;null!=a.t&&a.ob&&RG(a.ob,a.t,!0);null!=a.u&&a.ob&&RG(a.ob,a.u,!1);d||(a.Sb=0,a.xb=1);h=SG(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 TG(a,a.ob,b)}d?a.o=a.Sb:a.o=1;a.ob=a.zb[a.o];a.J?WE(a,1,1,0,!0):WE(a,1,h,0,!d);d=mj}UG(a);null!=d&&(AG(a.r,pd),a.r&&fF(Pp(a.r,d),0,0,0),a.hc=!0);a.Ib=!0;c&&a.Ze(a.Ec.d);return!0}function gt(a,b){null==b&&(b=m);a.Gb=!0;a.X=b;a.cg("info: "+b)}\nfunction NF(a,b){var c;c=Math.round(b);100>c&&(!uE[c]&&(uE[c]=new cC(Fe,0,c)),!wE[c]&&fq(wE,c,pA(uE[c])),a.v=uE[c],a.w=wE[c])}function rG(a){var b;if(!a)return!1;b=a.pf();a=0!=(a.e&2);return b||a}function aG(a,b){return(a.mb+(a.Lb?1:0))*b}function EF(a,b){var c,d;d=-1;for(c=0;c<oE.length;c+=2)if(oE[c]==b){d=oE[c+1];break}32==d&&!a.Bc&&a.cc&&(d=33);return d}\nfunction ot(a,b){var c,d,e;if(0==b)return!1;JE(a,!1);d=!1;c=a.k;a.k=b;if(300>=b)switch(a.Kb=!0,a.Hb=!0,gt(a,m),b){case 102:dF(a,!0);xG(a,102);wG(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):gt(a,"No more undo");if(!(a.pb.a!=a.pb.b&&a.pb.a.b!=a.pb.b))break;VG(a,WG(a.pb));a.r&&fF(Pp(a.r,qk),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{gt(a,"No more redo");break}if(!a.pb.a.c)break;e=a.pb;\nif(!e.a.c)throw new px("Cannot redo. Index is out of range.");if(!e.a.c)throw new px(Je);e.a=e.a.c;VG(a,e.a.a);a.r&&fF(Pp(a.r,pj),0,0,0);a.hc=!0;a.hc=!1;a.Ib=!0;break;case 214:qG(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=XG(a.jc);break;case 151:e=YG(a.jc);break;case 154:e=a.jc;e.a=e.c;e=XG(e);break;case 153:e=a.jc,e.a=-1,e=YG(e)}null==e?gt(a,"No more molecules in SDF buffer"):(gF(a),a.Vb=!0,ZG(a,e,!1),a.Vb=!1,J(a.X,m)&&(gt(a,"MOL n. "+(a.jc.a+\n1)+" of "+a.jc.c),d=!0,a.r&&fF(Pp(a.r,"SDFstack"),0,0,0),a.hc=!0,a.hc=!1));break;case 101:jq(4,new $G(a));a.k=c;break;case 107:jq(2,new aH(a));break;case 114:jq(3,new bH(a));a.k=c;break;case 103:a.Mb=!0;a.k=c;break;case 105:a.A&&a.Bb&&(a.Bb=!1,cH(a.ob),a.Ib=!0,a.r&&fF(Pp(a.r,og),0,0,0),d=a.hc=!0,a.k=c);a.I=1;break;case 109:a.k=c;e=dH(a.ob);if(2==e){gt(a,"Copying the agent not possible !");break}d=YE(a.ob);a.Ib=!0;a.ob=new BE(a.ob);d=Uu((a.M.b-a.mb)/2-d.a);for(e=1;e<=a.ob.p;++e)bF(a.ob.b[e],2*d/a.xb,\n0/a.xb);a.zb[++a.Sb]=a.ob;a.o=a.Sb;a.r&&fF(Pp(a.r,"reactionCopy"),0,0,0);d=a.hc=!0;xG(a,109);wG(a,109);break;case 104:d=CE(a);break;case 213:a.k=c;if(!a.S){var f,g,h,j,l;l=new qC;for(f=a.U,g=0,h=f.length;g<h;++g)e=f[g],j=new jC(e),oC(l,j),j.c=e,lB(j.d,a);lA(a,l);a.S=l}f=a.T.b;e=Uu(a.T.a*a.nb+0.5);f=Uu(f*a.nb+0.5);tG(a.S.a,a,e,f);break;case 108:0<a.ob.v&&eH(a.ob,a.ob.v,0)&&(EE(a,Ig,a.ob.v),d=!0)}else a.Hb=!0,a.Kb=!0,a.n=EF(a,b),32==a.n&&jq(5,new fH(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?(gH(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,EE(a,Ij+a.n,a.ob.v),d=!0):32==a.n&&(d=Oq((lt(),mt).Tc.a.pb,sk),hH(a.ob,a.ob.v,d),EE(a,Ij+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,iH(a.ob),d=!0,RE(a,fg,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,jH(d,d.v,0),RE(a,cg,a.o,0,a.ob.w),d=!0;else{d=1;e=Kj;switch(a.k){case 203:d=2;e=Jj;break;case 204:d=3,e=Lj}a.ob.c[a.ob.w].c=d;RE(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.Ze(a.Ec.d);return!0}\nfunction it(a,b,c){var d=null,e;null==d&&(d=zE(a));e=m;if(a.dc){var f,g,h;h=Ou([kH,A],[il,u],[86,-1],[4,a.Sb+1],0,2,1);for(g=1;3>=g;++g){f=0;for(c=1;c<=a.Sb;++c)dH(a.zb[c])==g&&(h[g][++f]=c);h[g][0]=f}e+=va;e+=lH(h[1][0],3)+lH(h[3][0],3)+ba;for(c=1;c<=h[1][0];++c)e+=ta+mH(a.zb[h[1][c]],d,b);for(c=1;c<=h[3][0];++c)e+=ta+mH(a.zb[h[3][c]],d,b)}else{1<a.Sb&&(a.ob=new nH(a,a.zb,a.Sb));if(c){e=a.ob;var j,l,d=oH(e,d,b,!0),d=d+("M  V30 BEGIN CTAB"+(kE(),ba)),d=d+("M  V30 COUNTS "+e.p+ea+e.q+" 0 0 "+(e.f.a&&\nsG(e)?1:0)+ba),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+=Xe,g=TF(e,b),d+=b+ea+g,g=pH(e.b[b]),d+=ea+qH(0.055999999999999994*(e.b[b].q-c),0,4)+ea+qH(0.055999999999999994*(f-e.b[b].r),0,4)+ea+qH(0,0,4)+ea+g,0!=e.b[b].n&&(d+=" CHG="+e.b[b].n),d+=ba;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+=Xe+b,j=f,1==c.c?j=1:2==c.c&&(j=2),g=c.i+ea+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+ea+c.i),1==f&&4==c.f&&(l=3,g=c.j+ea+c.i),d+=ea+j+ea+g,0!=l&&(d+=" CFG="+l),d+=ba;d+="M  V30 END BOND\\n";c=new Bm;g=new Bm;f=new Bm;for(b=0;10>b;++b)fq(g.b,g.c++,null),fq(f.b,f.c++,null);for(b=1;b<=e.p;++b)j=e.b[b].b,null==j||0==j.length||(J(j,ag)?vm(c,new iB(b)):0==j.indexOf("mix")?(j=qD(hx(j,3),10),l=null,f.c>j&&(l=(TB(j,f.c),f.b[j])),null==l?h=new Bm:h=l,vm(h,new iB(b)),ZB(f,j,h)):0==j.indexOf(Si)&&(j=qD(hx(j,2),10),l=null,g.c>j&&(l=\n(TB(j,g.c),g.b[j])),null==l?h=new Bm:h=l,vm(h,new iB(b)),ZB(g,j,h)));d+=rH(Ye,c);if(0<g.c)for(b=1;b<g.c;++b)d+=rH($e+b,(TB(b,g.c),g.b[b]));if(0<f.c)for(b=1;b<f.c;++b)d+=rH(Ze+b,(TB(b,f.c),f.b[b]));e=d=d+"M  V30 END CTAB\\n"+Ve}else e=mH(a.ob,d,b);1<a.Sb&&(a.ob=a.zb[a.o])}return e}\nfunction sH(a,b,c,d){var e;a.Ab=!1;if(qG(a,b,c,d))return a.Ab=!0,a.Db=!1,!0;e=!0;a.Cc=c-Q(L(R(aG(a,a.nb))));a.Dc=d-Q(L(R(bG(a,a.nb))));gt(a,m);a.Bb=tH(b);a.Db=!1;if(!a.J&&(c<Q(L(R(aG(a,a.nb))))||d<Q(L(R(bG(a,a.nb)))))){e=FF(a,c,d);if(112==e)return a.rc=!0,gt(a,"Next ring will be added as spiro"),gG(a),a.Ab=!0;if(113==e)if(a.lc)gt(a,"Move one atom"),gG(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=ot(a,e)}else{if(!a.J&&\nd>a.M.a-Q(L(R(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=lG(a,b);f=lG(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=nG(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&&(OE(),null!=a.b[vd]?PE:QE).a)if(uH(a,a.o,a.ob.v,0,vd),a.J&&!a.K)return!0;if(0<a.ob.w&&(OE(),null!=a.b[Od]?PE:QE).a)if(uH(a,\na.o,0,a.ob.w,Od),a.J&&!a.K)return!0;a.Db=!0;c=Uu(c-a.mb);d-=Q(L(R(bG(a,a.nb))));if(0<a.ob.v)if(a.eb.c=a.o,104==a.k)CE(a);else{if(106==a.k)return!0;if(108==a.k)eH(a.ob,a.ob.v,0)&&EE(a,Ig,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,jH(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,RE(a,cg,a.o,0,a.ob.w),a.hc=!1):RE(a,cg,a.o,0,a.ob.w);else if(206<=a.k&&229>=a.k)a.cb=2,iH(a.ob),EE(a,eg,a.ob.v);else if(230==a.k)a.cb=3,EE(a,gg,a.ob.v);\nelse if(233<=a.k&&262>a.k)vH(a.ob,!1),EE(a,dg,a.ob.v),a.cb=3;else if(107==a.k){if(a.bc.b)return!0;hH(a.ob,a.ob.v,Oq(a.bc.e.Tc.a.pb,sk));a.ob.j=!0;EE(a,"addAtomQuery",a.ob.v)}else if(105==a.k)(c=wH(a.ob))?EE(a,"markAtom",a.ob.v):EE(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)gH(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=Oq((lt(),mt).Tc.a.pb,sk),1>c.length&&(c=Kf),hH(a.ob,a.ob.v,c)),EE(a,Ij+a.n,a.ob.v)}else e=!1}else if(0<\na.ob.w)if(a.eb.c=a.o,104==a.k)CE(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])gt(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;DE(c,d);c.a[d]=0}GE(a.ob);RE(a,"delBondGroup",a.o,0,a.ob.w);a.ob.w=0}else if(201==a.k)xH(a.ob,a.ob.w),RE(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,RE(a,Jj,a.o,0,a.ob.w)):(a.ob.c[a.ob.w].c=1,a.ob.c[a.ob.w].f=\n0,RE(a,Kj,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,GE(a.ob),RE(a,Jj,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,GE(a.ob),RE(a,Lj,a.o,0,a.ob.w);else if(206<=a.k&&229>=a.k)a.cb=2,iH(a.ob),RE(a,fg,a.o,0,a.ob.w),GE(a.ob);else if(107==a.k){if(!a.bc.b)return!0;c=Oq(a.bc.e.Tc.a.pb,sk);a.ob.c[a.ob.w].c=9;a.ob.c[a.ob.w].d=c;RE(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?RE(a,"markBond",a.o,0,a.ob.w):RE(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 eF(a);a.ob=a.zb[a.Sb];a.eb.c=a.o;202<=a.k&&204>=a.k||205==a.k?(yH(a.ob,null),a.ob.q=0,zH(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,a.ob.x=1,a.cb=1,b=a.ob,jH(b,b.v,0),205==a.k?(zH(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,RE(a,"addChain",a.o,0,a.ob.w)):RE(a,\ncg,a.o,0,a.ob.w)):206<=a.k&&229>=a.k?(a.ob.z=lG(a,c),a.ob.A=lG(a,d),a.cb=2,iH(a.ob),a.r&&fF(Pp(a.r,eg),0,0,0),a.hc=!0):300<a.k?(yH(a.ob,null),gH(a.ob,1,a.n),a.ob.q=0,zH(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,32==a.n&&(c=Oq((lt(),mt).Tc.a.pb,sk),1>c.length&&(c=Kf),hH(a.ob,1,c)),EE(a,"addAtom",a.ob.v)):230==a.k?(JG(a,null,!0),a.r&&fF(Pp(a.r,gg),0,0,0),a.hc=!0):233<=a.k&&262>a.k?(yH(a.ob,null),a.ob.q=0,zH(a.ob,1,c/a.xb,d/a.xb),a.ob.v=1,vH(a.ob,!0),a.r&&fF(Pp(a.r,dg),0,0,0),a.hc=!0):bD()}else e=!1;e&&AH(a)}return a.Ab=\ne}\nfunction BH(a,b,c,d){var e,f,g,h;bD();if(!a.Db||CH(b))return!0;a.Gb=!1;c-=Q(L(R(aG(a,a.nb))));d-=Q(L(R(bG(a,a.nb))));f=lG(a,c-a.Cc);g=lG(a,d-a.Dc);e=lG(a,c);h=lG(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?kG(j):jG(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))zH(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;DH(f.b[0],e,h);g=EH(f,0,1,f.p);if(0<g&&205!=f.k.k)f.v=g,g!=f.x?zH(f,f.p,f.b[g].q,f.b[g].r):zH(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)DE(f,f.p),EE(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],jH(f,f.v,0),FE(f,e),0<EH(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){FH(f.k,"You are too focused on chains, enough of it for now !");--f.r;break a}f.v=f.p;e=Q(L(Math.round(b)));jH(f,f.v,e);e=f.k;RE(e,cg,e.o,0,e.ob.w);f.k.hc=!1;f.e[f.r]=f.p;0<EH(f,f.p,1,f.p)&&(f.u=!0)}}f.v=0;e=f.r;gt(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),zH(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),zH(a.ob,\na.ob.v,e,h);else if(tH(b)||CH(b))ME(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=$E(a),h=a.ob,j=YE(h),b=j.a,j=j.b,0>f&&b<e.c||0<f&&b>e.b||0>g&&j<e.d||0<g&&j>e.a||GH(h,f,g),a.cb=5;JE(a,!1);a.Ib=!0;gG(a);a.Cc=c;a.Dc=d;return!0}\nfunction vG(a,b,c,d){var e,f;if(!a.J||a.Vf().a||a.Wf().a||a.K)if(f=!1,e=FF(a,c,d),e!=a.Cb&&(f|=xG(a,a.Cb),f|=wG(a,e),a.Cb=e),!rG(b)){c-=Q(L(R(aG(a,a.nb))));d-=Q(L(R(bG(a,a.nb))));b=c;c=a.Nb;0>b||0>d||d>a.ub||b>a.yb?kG(c):jG(a,b,d,c);113==e&&0<a.Nb.b&&(a.Nb.b=0);if(!(a.Nb.c==a.eb.c&&a.Nb.a==a.eb.a&&a.Nb.b==a.eb.b)&&(0<a.Nb.c&&(0<a.Nb.a||0<a.Nb.b)||0<a.eb.c&&(0<a.eb.a||0<a.eb.b)))f=a.eb.c,0<f&&(a.zb[f].v=0,a.zb[f].w=0),f=a.Nb.c,0<f&&(a.zb[f].v=a.Nb.a,a.zb[f].w=a.Nb.b,f!=a.o&&(a.o=f,a.ob=a.zb[a.o])),\nf=!0,e=a.Nb.a,a.Vf().a&&(e=HH(a,e,a.$b),-1!=e&&(a.$b=e,null!=a.Pb&&RD(a.Pb,y(IH,q,99,[new iB(a.o),new iB(e)])),a._f(a.o,e))),e=a.Nb.b,a.Wf().a&&(e=HH(a,e,a._b),-1!=e&&(a._b=e,a.bg(a.o,e))),e=a.eb,d=a.Nb,e.c=d.c,e.a=d.a,e.b=d.b;f&&(JE(a,!1),a.Ib=!0,a.Ze(a.Ec.d))}}\nfunction JH(a){var b,c,d,e,f;d=!1;if(a.J&&!a.K)return a.vc&&(KH(a,Ei,!0),a.e&&(a=a.e,a.b.a.apply(null,[LH(a.a)]))),!0;a.Eb&&(a.Eb=!1,cF(a.ob),d=a.hc=!0);a.Gb=!1;a.db=Gk;if(1==a.cb){if(205==a.k)d=a.ob,d.u&&(e=EH(d,d.p,1,d.p),6>d.b[e].j&&(MH(d,null),b=d.e[d.r-1],d.c[d.q].i=e,d.c[d.q].j=b,NH(d.b[e],b),NH(d.b[e],b)),DE(d,d.p)),d.u=!1,a.hc=!0;else if(0!=a.eb.c&&a.o!=a.eb.c){DE(a.ob,a.ob.p);b=a.ob.x;c=a.eb.a+a.ob.p;e=a.zb[a.eb.c];d=new nH(a,y(OH,q,119,[null,a.ob,e]),2);d.b[0]=new PH;QH(d,b,c,1);b=C(OH,\nq,119,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;kG(a.eb)}else d=a.ob,e=EH(d,d.p,1,d.p),0!=e&&(--d.p,b=RH(d,e,d.x),0!=b?(--d.q,SH(d,d.x),3>d.c[b].c?(++d.c[b].c,d.c[b].f=0):gt(d.k,"Maximum allowed bond order is 3 !")):6==d.b[e].j?(--d.q,SH(d,d.x),gt(d.k,"Not possible connection !")):(d.c[d.q].j=e,SH(d,d.x),b=d.x,NH(d.b[e],b),NH(d.b[b],e),TH(d.c[d.q],d.b)));cF(a.ob);a.B&&(d=a.pb,d.a!=d.b&&d.a.b!=d.b&&(e=d.a.c,WG(d),d.a.c=e),\nRE(a,cg,a.o,0,a.ob.w),a.B=!1);d=!0}else 5==a.cb&&(cF(a.ob),d=a.hc=!0);0<a.cb&&(JE(a,!1),a.Ib=!0,gG(a),a.cb=0,a.q=!1,d=!0);if(tE&&(0!=a.ob.w||0!=a.ob.v))a.ob.w=0,a.ob.v=0,JE(a,!1),a.Ib=!0,gG(a),d=!0;a.vc&&!a.Ab&&!d&&(a.J?KH(a,Ei,!0):KH(a,ch,!0),a.e&&(a=a.e,a.b.a.apply(null,[LH(a.a)])),d=!0);return d}function JE(a,b){a.Hb=b;a.Kb=b;a.Ib=b;a.Gb=b;a.Jb=b}function HH(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 KH(a,b,c){var d,e,b=b.toLowerCase();(e=UH(a,b,"rbutton"))&&(a.cc=e.a);(e=UH(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=UH(a,b,"query"))&&(a.ac=e.a);(e=UH(a,b,"reaction"))&&(a.dc=e.a);(e=UH(a,b,"autoez"))&&(a.z=e.a);(e=UH(a,b,"stereo"))&&(a.tc=e.a);(e=UH(a,b,"canonize"))&&(a.C=e.a);(e=UH(a,b,zi))&&(a.Fb=e.a);if((e=(OE(),UH(a,b,og)?PE:QE)).a)a.A=e.a,a.A&&(a.Rb=!0);if((e=\nUH(a,b,Ji)?PE:QE).a)a.Rb=e.a,a.Rb||(a.A=!1);if(e=UH(a,b,"newlook"))a.Lb=e.a,a.fg();if(e=UH(a,b,"oldlook"))a.Lb=!e.a,a.fg();(e=UH(a,b,"star"))&&(a.Rb=a.sc=e.a);(e=UH(a,b,"polarnitro"))&&(a.Xb=e.a);(e=UH(a,b,"toggle"))&&(a.vc=e.a);if(e=UH(a,b,"depictaction"))(a.K=e.a)&&(b+=" depict");if(e=UH(a,b,ch))if(e.a&&!a.J&&(a.J=!0,a.mb=0,a.vb=null,a.Tb=!1,a.fg()),!e.a&&a.J){a.J=!1;for(d=a.xb=1;d<=a.Sb;++d)VH(a.zb[d]),aF(a.zb[d]);a.mb=24;a.ob&&(a.ob.s=!0);a.Tb=!0;a.fg()}(e=UH(a,b,"showDragAndDropSymbolInDepictMode"))&&\n(a.nc=e.a);(e=UH(a,b,"addNewPart"))&&(a.p=e.a);(e=UH(a,b,"exportInchi"))&&(a.N=e.a);(e=UH(a,b,"exportInchiKey"))&&(a.P=e.a);(e=UH(a,b,"exportInchiAuxInfo"))&&(a.O=e.a);(e=UH(a,b,"searchInchiKey"))&&(a.kc=e.a);(e=UH(a,b,"exportSVG"))&&(a.Q=e.a);(e=UH(a,b,"useOclIDCode"))&&(a.zc=e.a);(e=UH(a,b,"xbutton"))&&(a.Bc=e.a);(e=UH(a,b,Xi))&&(a.Tb=e.a);(e=UH(a,b,Ag))&&(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=UH(a,b,"atommovebutton"))&&\n(a.lc=e.a);(e=UH(a,b,"useopenchemlib"))&&(a.Ac=e.a);(e=UH(a,b,Ck))&&(a.s=e.a);a.dc&&(a.A=!0,a.Fb=!0);a.J||(a.L=!1);GF=HF(a);a.F=null;a.G=null;c&&a.Ze(a.Ec.d)}function UH(a,b,c){var d;d=!!OD(QD(Sf+c+Sf,2),b).a;b=!!OD(QD("\\\\bno"+c+Sf,2),b).a;return d&&b?(a.cg("check option "+c),null):d?(OE(),OE(),PE):b?(OE(),OE(),QE):null}\nfunction WH(a,b){var c,d,e;e=m;for(d=1;d<=a.Sb;++d){if(0<b&&(c=dH(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+ea+c.q,j=1;j<=c.p;++j)f=c.b[j],g=f.d,f=m,0!=g&&(f+=g),f+=TF(c,j),c.k.ab&&0<c.b[j].i&&(f+=Ee,1<c.b[j].i&&(f+=c.b[j].i)),0!=c.b[j].n&&(0<c.b[j].n?f+=Oa:f+=$a,1<WF(c.b[j].n)&&(f+=WF(c.b[j].n))),g=XH(c,j),0!=g&&(f+=Nc+g),n+=ea+f+ea+qH(0.055999999999999994*c.b[j].q,0,2)+ea+qH(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+=ea+f+ea+g+ea+l;c=n;0<c.length&&(0<e.length&&(e+=Ek),e+=c)}return e}\nfunction AE(a,b){var c,d,e,f;e=m;for(c=1;c<=a.Sb;++c){if(0<b&&(d=dH(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=HE(g),h=0;h<j.length;++h){var o=j[h],r=(OE(),g.k.tc?PE:QE),t=g.k.C?PE:QE,z=void 0,v=void 0,E=void 0,s=void 0,F=void 0,P=void 0,M=void 0,$=void 0,da=void 0,Z=void 0,ca=void 0,Hb=void 0,aa=void 0,sb=void 0,Mb=void 0,K=void 0,Ja=void 0,$c=void 0,Ub=void 0,tb=void 0,N=void 0,za=void 0,mc=void 0,sd=void 0,qa=void 0,dd=void 0,$d=void 0,Ya=void 0,pa=void 0,\nAb=void 0,ca=OF(o.p+10),Hb=OF(o.p+10),da=OF(o.p+1),Z=OF(7),qa=OF(o.p+1),sb=[],Mb=[],za=0;if(0==o.p)n=m;else{SG(o);sd=!0;for($=1;$<=o.q;++$)if(9==o.c[$].c){sd=!1;break}if(t.a&&sd){UE(o);YH(o);ZH(o,Mb);$H(o,sb,Mb);var G=o,Sa=void 0,ob=void 0,Pc=void 0,hc=void 0,ga=void 0,tc=void 0,Y=void 0,O=void 0,db=void 0,Bb=void 0,Nb=void 0,T=void 0,Aa=void 0,Wa=void 0,Xc=void 0,Da=void 0,Qc=void 0,ub=void 0,Gd=void 0,je=void 0,Ec=void 0,ed=void 0,Sa=OF(G.p+1),ob=OF(G.p+1),O=OF(G.p+1);var Vb=G.p,eb=void 0,fd=void 0,\nYb=void 0,Yc=void 0,I=void 0,pb=void 0,wc=void 0,I=OF(Vb+2),pb=OF(100),wc=5,Yc=0;pb[0]=3;I[1]=Ik;I[2]=Jk;Yb=2;if(!(3>Vb))for(;wc<pb[Yc]*pb[Yc];){fd=0;for(eb=!0;eb&&fd<=Yc&&wc>=pb[fd]*pb[fd];)0==wc%pb[fd]?eb=!1:++fd;if(eb){I[++Yb]=Ev(wc);if(Yb>=Vb)break;Yc<pb.length-1&&(++Yc,pb[Yc]=wc)}wc+=2}for(T=1;T<=G.p;++T){Pc=G.b[T];for(Aa=je=1;Aa<=G.q;++Aa)(G.c[Aa].i==T||G.c[Aa].j==T)&&(je*=G.d[Aa]);Gd=G.b[T].a;32==Gd&&(ed=G.b[T].e,0<ed.length&&(tc=ed.charCodeAt(0)-65+1,Y=0,1<ed.length&&(Y=ed.charCodeAt(1)-97),\n0>tc&&(tc=0),0>Y&&(Y=0),Gd=28*tc+Y));Qc=0;0!=G.b[T].n&&(-2>G.b[T].n?Qc=1:-2==G.b[T].n?Qc=2:-1==G.b[T].n?Qc=3:1==G.b[T].n?Qc=4:2==G.b[T].n?Qc=5:2<G.b[T].n&&(Qc=6));Bb=0;0!=Pc.d&&(Bb=aI(TF(G,T),Pc.d),0>Bb&&(Bb=10-Bb));Ec=126;db=je;db+=126*G.b[T].i;Ec*=7;db+=Qc*Ec;Ec*=7;0!=Bb&&(db+=Bb*Ec);Ec*=7;db+=Gd*Ec;Ec*=783;db+=G.b[T].j*Ec;O[T]=Ev(db)}for(ga=0;!bI(G,Sa,O);){Da=!1;for(T=1;T<=G.p;++T)Sa[T]!=ob[T]&&(ob[T]=Sa[T],Da=!0);if(Da){for(T=1;T<=G.p;++T){O[T]=Hk;for(Aa=1;Aa<=G.b[T].j;++Aa)O[T]=Iv(O[T],I[Sa[G.b[T].p[Aa]]])}ga=\n0}else if(0<ga){for(T=1;T<=G.p;++T)O[T]=Hk;T=1;b:for(;T<=G.p-1;++T)for(Aa=T+1;Aa<=G.p;++Aa)if(Sa[T]==Sa[Aa]){O[T]=Ik;break b}}else{for(T=1;T<=G.p;++T){O[T]=Hk;for(Aa=1;Aa<=G.b[T].j;++Aa)Pc=G.b[T].p[Aa],O[T]=Iv(O[T],Ev(G.b[Pc].a*G.d[RH(G,T,Pc)]))}ga=1}bI(G,Sa,O);for(T=1;T<=G.p;++T)O[T]=Ev(ob[T]*G.p+Sa[T])}for(T=1;T<=G.p;++T)ob[T]=Sa[T];for(ub=1;ub<=G.p;++ub)for(T=1;T<=G.p;++T)if(ob[T]==ub){var Hd=G.b,uc=T,ae=void 0,ae=Hd[ub];fq(Hd,ub,Hd[uc]);fq(Hd,uc,ae);ob[T]=ob[ub];ob[ub]=ub;break}for(T=1;T<=G.q;++T)G.c[T].i=\nSa[G.c[T].i],G.c[T].j=Sa[G.c[T].j],G.c[T].i>G.c[T].j&&(Nb=G.c[T].i,G.c[T].i=G.c[T].j,G.c[T].j=Nb,1==G.c[T].f?G.c[T].f=3:2==G.c[T].f?G.c[T].f=4:3==G.c[T].f?G.c[T].f=1:4==G.c[T].f&&(G.c[T].f=2));for(T=1;T<G.q;++T){Xc=Wa=G.p;hc=0;for(Aa=T;Aa<=G.q;++Aa)G.c[Aa].i<Wa?(Wa=G.c[Aa].i,Xc=G.c[Aa].j,hc=Aa):G.c[Aa].i==Wa&&G.c[Aa].j<Xc&&(Xc=G.c[Aa].j,hc=Aa);var Td=G.c,ld=T,Zb=void 0,Zb=Td[hc];fq(Td,hc,Td[ld]);fq(Td,ld,Zb)}cI(G);dI(o);ZH(o,Mb);$H(o,sb,Mb)}else{ZH(o,Mb);o.d=OF(o.q+1);for(aa=1;aa<=o.q;++aa)o.d[aa]=\no.c[aa].c}v=1;o.a=OF(o.p+1);Ab=1;o.a[1]=1;for(tb=0;;){N=0;for(aa=1;aa<=o.b[v].j;++aa)if(P=o.b[v].p[aa],0<o.a[P]){if(!(o.a[P]>o.a[v])&&P!=qa[v]){mc=!0;for(Ja=1;Ja<=za;++Ja)if(ca[Ja]==v&&Hb[Ja]==P||ca[Ja]==P&&Hb[Ja]==v){mc=!1;break}mc&&(++za,ca[za]=v,Hb[za]=P)}}else Z[++N]=P;if(0==N){if(Ab==o.p)break;v=da[tb--]}else if(1==N)qa[Z[1]]=v,v=Z[1],o.a[v]=++Ab;else{da[++tb]=v;s=0;for(aa=1;aa<=N;++aa)if($=RH(o,Z[aa],v),!Mb[$]){s=Z[aa];break}if(0==s)for(aa=1;aa<=N;++aa)if($=RH(o,Z[aa],v),2==o.d[$]||3==o.d[$]){s=\nZ[aa];break}0==s&&(s=Z[1]);qa[s]=v;v=s;o.a[s]=++Ab}}qa=OF(o.p+1);z=OF(o.p+1);$c=[];dd=[];F=Ab=tb=0;for(aa=1;aa<=o.p;++aa)if(1==o.a[aa]){v=aa;break}b:for(;;){0<F&&(qa[v]=F);z[++Ab]=v;for(o.a[v]=0;;){N=s=0;Ub=o.p+1;aa=1;c:for(;aa<=o.b[v].j;++aa){P=o.b[v].p[aa];for(K=1;K<=za;++K)if(ca[K]==P&&Hb[K]==v||ca[K]==v&&Hb[K]==P)continue c;0<o.a[P]&&(++N,o.a[P]<Ub&&(s=P,Ub=o.a[P]))}if(0==s){if(0==tb)break b;dd[v]=!0;v=da[tb--]}else break}F=v;v=s;1<N&&(da[++tb]=F,$c[s]=!0)}$d=OF(o.q+1);Ya=OF(o.p+1);if(r.a){for(var Cb=\no,oa=z,Md=qa,be=$d,gd=Ya,ic=ca,ce=Hb,Ta=za,Na=void 0,Fc=void 0,xc=void 0,kb=void 0,yc=void 0,Ob=void 0,yd=void 0,td=void 0,zd=void 0,jc=void 0,kb=OF(Cb.p+1),Na=1;Na<=Cb.p;++Na)kb[oa[Na]]=Na;Ob=[];for(td=1;td<=Cb.p;++td)Fc=oa[td],xc=Md[Fc],yc=RH(Cb,Fc,xc),0!=yc&&(eI(Cb,yc,kb,be),Ob[yc]=!0);for(td=1;td<=Cb.q;++td)Ob[td]||eI(Cb,td,kb,be);Na=1;b:for(;Na<=Cb.p;++Na)if(!(2>Cb.b[Na].j||4<Cb.b[Na].j)){yd=jc=0;for(zd=1;zd<=Cb.b[Na].j;++zd){yc=RH(Cb,Na,Cb.b[Na].p[zd]);if(5==Cb.d[yc])continue b;1==Cb.c[yc].c&&\n0!=fI(Cb,yc,Na)&&++jc;2==Cb.c[yc].c&&(yd=Cb.b[Na].p[zd])}if(0!=jc)if(0<yd){var Qa=Cb,Gc=kb,hd=gd,Ad=void 0,Pb=void 0,Qb=void 0,de=void 0,Hc=void 0,V=void 0,Rc=void 0,kc=void 0,Ra=void 0,zc=void 0,Xa=void 0,nc=void 0,lf=void 0,fb=void 0,ke=void 0,Me=void 0,Bd=void 0,le=void 0,vc=void 0,me=void 0,md=void 0,Ud=void 0,oc=void 0,Ic=void 0,Qb=gI(Qa,Na),zc=Qb[0];if(0!=zc%2&&(Ic=Qb[1],Pb=Qb[~~((zc+1)/2)],Rc=Qb[zc],!(2>Qa.b[Rc].j||3<Qa.b[Rc].j))){me=le=fb=nc=0;Ud=Me=!1;for(Ra=1;Ra<=Qa.b[Ic].j;++Ra)Ad=Qa.b[Ic].p[Ra],\nAd!=Qb[2]&&(0==nc?nc=Ad:fb=Ad);0<Gc[fb]&&Gc[nc]>Gc[fb]&&(de=nc,nc=fb,fb=de);Xa=nc;0==nc&&(Xa=fb,Me=!0);for(kc=1;kc<=Qa.b[Rc].j;++kc)Ad=Qa.b[Rc].p[kc],Ad!=Qb[zc-1]&&(0==le?le=Ad:me=Ad);0<Gc[me]&&Gc[le]>Gc[me]&&(de=le,le=me,me=de);Bd=le;0==le&&(Bd=me,Ud=!0);lf=0<nc?fI(Qa,RH(Qa,Ic,nc),Ic):0;ke=0<fb?fI(Qa,RH(Qa,Ic,fb),Ic):0;vc=0<le?fI(Qa,RH(Qa,Rc,le),Rc):0;md=0<me?fI(Qa,RH(Qa,Rc,me),Rc):0;1<(0>lf+ke?-(lf+ke):lf+ke)||0!=vc||0!=md?gt(Qa.k,"Bad stereoinfo on allene !"):(Hc=Qa.b[Qb[zc-1]].q-Qa.b[Rc].q,V=\nQa.b[Qb[zc-1]].r-Qa.b[Rc].r,oc=Math.sqrt(Hc*Hc+V*V),0.001>oc&&(oc=0.001),0<(Qa.b[Bd].r-Qa.b[Qb[zc-1]].r)*(Hc/oc)-(Qa.b[Bd].q-Qa.b[Qb[zc-1]].q)*(V/oc)?hd[Pb]=1:hd[Pb]=-1,Me&&(hd[Pb]*=-1),Ud&&(hd[Pb]*=-1),Xa==nc&&0>lf&&(hd[Pb]*=-1),Xa==fb&&0>ke&&(hd[Pb]*=-1),Gc[Xa]>Gc[Bd]&&(hd[Pb]*=-1))}}else c:{var qb=Cb,Ac=Na,Ne=gd,Oe=void 0,lc=void 0,Jc=void 0,Bc=void 0,gb=void 0,$b=void 0,ee=void 0,ye=void 0,Cd=void 0,Sc=void 0,Ba=void 0,hb=void 0,Id=void 0,Dd=void 0,Kc=void 0,Za=void 0,ne=void 0,hb=OF(4),Dd=OF(4),\nEf=qb,nd=Ac,Wf=kb,Xf=Md,Ff=ic,Pe=ce,sg=Ta,Fb=hb,id=void 0,Jd=void 0,mf=void 0,tg=void 0,Pg=void 0,Gf=void 0,Gf=-1;0<Xf[nd]&&(Fb[++Gf]=Xf[nd]);for(Jd=1;Jd<=sg;++Jd)Ff[Jd]==nd&&(Fb[++Gf]=Pe[Jd]),Pe[Jd]==nd&&(Fb[++Gf]=Ff[Jd]);for(Jd=Gf+1;Jd<Ef.b[nd].j;++Jd){Pg=Ef.p+1;mf=1;d:for(;mf<=Ef.b[nd].j;++mf){id=Ef.b[nd].p[mf];for(tg=0;tg<Jd;++tg)if(id==Fb[tg])continue d;Wf[id]<Pg&&(Pg=Wf[id],Fb[Jd]=id)}}0==Xf[nd]&&0<Ef.b[nd].i?(Fb[3]=Fb[2],Fb[2]=Fb[1],Fb[1]=Fb[0],Fb[0]=-1):0<Ef.b[nd].i&&(Fb[3]=Fb[2],Fb[2]=Fb[1],\nFb[1]=-1);for(gb=ye=$b=Bc=ne=ee=Sc=0;4>gb;++gb)0>=hb[gb]||(Oe=RH(qb,Ac,hb[gb]),Dd[gb]=fI(qb,Oe,Ac),0<Dd[gb]?(++Sc,ne=hb[gb],$b=hb[gb]):0>Dd[gb]?(++ee,Bc=hb[gb],$b=hb[gb]):ye=hb[gb]);Cd=Sc+ee;Za=OF(4);Kc=0;if(3==qb.b[Ac].j){if(1==Sc&&1==ee||3==Cd&&0<Sc&&0<ee){gt(qb.k,"Error in C3H stereospecification !");break c}Id=hb[0];1==Cd?Id=$b:2==Cd&&(Id=ye);Ba=hI(qb,Ac,Id,hb);Za[0]=$b;Za[1]=-1;Za[2]=Ba[2];Za[3]=Ba[1];0<Sc?Kc=1:Kc=-1}else if(4==qb.b[Ac].j)if(1==Cd)Ba=hI(qb,Ac,$b,hb),Za[0]=Ba[0],Za[1]=Ba[3],Za[2]=\nBa[2],Za[3]=Ba[1],0<Sc?Kc=1:Kc=-1;else{Id=hb[0];1<ye&&(Id=ye);1==Sc?Id=ne:1==ee&&(Id=Bc);Ba=hI(qb,Ac,Id,hb);lc=OF(4);for(gb=0;4>gb;++gb)Oe=RH(qb,Ac,Ba[gb]),lc[gb]=fI(qb,Oe,Ac);if(4==Cd){if(0==Sc||0==ee){gt(qb.k,"Error in C4 stereospecification !");break c}if(1==Sc||1==ee)Za[0]=Ba[0],Za[1]=Ba[3],Za[2]=Ba[2],Za[3]=Ba[1],Kc=lc[0];else{for(gb=0;4>gb;++gb)-1==lc[gb]&&(lc[gb]=0);Cd=2}}else if(3==Cd)if(3==Sc||3==ee)Za[0]=Ba[0],Za[1]=Ba[3],Za[2]=Ba[2],Za[3]=Ba[1],0<Sc?Kc=-1:Kc=1;else{1==Sc?Sc=Jc=1:ee=Jc=\n-1;for(gb=0;4>gb;++gb)lc[gb]==Jc&&(lc[gb]=0);Cd=2}if(2==Cd)if(1==Sc&&1==ee)Ba[1]==Bc?(Ba[1]=Ba[2],Ba[2]=Ba[3]):Ba[2]==Bc&&(Ba[2]=Ba[3]),Za[0]=ne,Za[1]=Bc,Za[2]=Ba[2],Za[3]=Ba[1],Kc=1;else{if(lc[0]==lc[1]||lc[1]==lc[2]){gt(qb.k,"Error in C4 stereospecification ! 2/0r");break c}0!=lc[0]?(Za[0]=Ba[0],Za[1]=Ba[2],Za[2]=Ba[1],Za[3]=Ba[3]):(Za[0]=Ba[1],Za[1]=Ba[3],Za[2]=Ba[2],Za[3]=Ba[0]);1<Sc?Kc=1:Kc=-1}}var xa=Za,Yf=hb,Tc=void 0;Yf[0]==xa[1]?(Tc=xa[0],xa[0]=xa[1],xa[1]=Tc,Tc=xa[2],xa[2]=xa[3],xa[3]=Tc):\nYf[0]==xa[2]?(Tc=xa[2],xa[2]=xa[0],xa[0]=Tc,Tc=xa[1],xa[1]=xa[3],xa[3]=Tc):Yf[0]==xa[3]&&(Tc=xa[3],xa[3]=xa[0],xa[0]=Tc,Tc=xa[1],xa[1]=xa[2],xa[2]=Tc);Yf[1]==xa[2]?(Tc=xa[1],xa[1]=xa[2],xa[2]=Tc,Tc=xa[2],xa[2]=xa[3],xa[3]=Tc):Yf[1]==xa[3]&&(Tc=xa[1],xa[1]=xa[3],xa[3]=Tc,Tc=xa[2],xa[2]=xa[3],xa[3]=Tc);Za[2]==hb[2]?Ne[Ac]=1:Za[2]==hb[3]?Ne[Ac]=-1:gt(qb.k,"Error in stereoprocessing ! - t30");Ne[Ac]*=Kc}}}pa=new iI;M=OF(o.p+1);for(aa=1;aa<=o.p;++aa)M[z[aa]]=aa;for(aa=1;aa<=o.p;++aa){v=z[aa];$c[v]&&sp(pa.a,\nKa);0<qa[aa]&&jI(o,v,qa[v],pa,$d);var nf=v,Jb=pa,Hf=sb[v],Lh=Ya,If=void 0,of=void 0,Nd=void 0,oe=void 0,Vd=void 0,ib=void 0,Zf=void 0,od=void 0,ya=void 0,ya=Kf,of=o.b[nf],Vd=of.d,Zf=of.i,od=of.n,If=of.a,Nd=!1;(0!=od||0!=Vd)&&(Nd=!0);0!=Lh[nf]&&(Nd=!0);ib=XH(o,nf);oe=0!=ib;Nd=Nd||oe;o.k.sc&&0<o.b[nf].c&&(Nd=!0);switch(If){case 2:ya=Fd;break;case 3:Hf?ya=Dg:ya=Rd;break;case 4:Hf?(ya=Ai,0<Zf&&(Nd=!0)):ya=bf;break;case 5:Hf?ya="o":ya=gf;break;case 7:Hf?(ya=Vi,0<Zf&&(Nd=!0)):ya=hf;break;case 8:Hf?ya=Aj:\nya=sf;break;case 13:Hf?ya=Ej:ya=uf;Nd=!0;break;case 6:ya=wf;Nd=!0;break;case 9:ya=xe;break;case 10:ya=ge;break;case 11:ya=Qd;break;case 12:ya=Ge;break;case 1:ya=Ee;Nd=!0;break;case 32:Nd=!0,ya=o.b[nf].e,!oe&&(J(ya,Ma)||J(ya,$f)||J(ya,kd))&&(Nd=!1)}0<yE(If)&&(ya=(kE(),rE)[If],Nd=!0);33<=If&&42>=If&&(Nd=!0,ya=(kE(),rE)[If]);Nd&&(0!=Vd?ya=Mf+Vd+ya:ya=Mf+ya,1==Lh[nf]?ya+=jd:-1==Lh[nf]&&(ya+="@@"),1==Zf?ya+=Ee:1<Zf&&(ya+=Ee+Zf),0!=od&&(0<od?ya+=Oa:ya+=$a,1<(0>od?-od:od)&&(ya+=0>od?-od:od)),oe&&(ya+=Nc+\nib),ya+=Tf);sp(Jb.a,ya);for(K=1;K<=za;++K)if(ca[K]==v||Hb[K]==v)E=Hb[K],E==v&&(E=ca[K]),M[v]<M[E]&&jI(o,ca[K],Hb[K],pa,$d),9<K&&sp(pa.a,wa),tp(pa,m+(new iB(K)).a);dd[v]&&sp(pa.a,La)}n=Mq(pa.a)}0<l.length&&(l+=Lb);l+=n}f=l;0<f.length&&(0<e.length&&(e+=Lb),e+=f)}return e}function ZG(a,b,c){try{HG(a,b,c)||a.Ze(a.Ec.d)}catch(d){if(d=pq(d),H(d,96))a.Ze(a.Ec.d);else throw d;}}\nfunction JG(a,b,c){var d;try{var e;a:{var f,g,h,j,l,n,o,r,t;g=l=0;t=new JD(b,"|>",!0);j=-1<b.indexOf(bd);o=1;n=CD(t);f=0<a.Sb;if(!((a.dc||a.Fb)&&a.p||a.Mb)||j)a.Sb=0,f=!1;for(h=1;h<=n;++h)if(r=GD(t),gx(r),!J(r,Ek))if(J(r,bd))++o,2==o?l=a.Sb:3==o&&(g=a.Sb+1);else{a.ob=new kI(a,r);if(0==a.ob.p){gt(a,"ERROR - problems in reading/processing molecule !");a.Ze(a.Ec.d);bD();e=!1;break a}++a.Sb;a.o=a.Sb;a.zb[a.Sb]=a.ob}2==o?(gt(a,"ERROR - strange reaction - fixing !"),a.Ze(a.Ec.d),bD(),e=!1):3<o?(gt(a,"ERROR - strange reaction !"),\na.Ze(a.Ec.d),bD(),e=!1):(1<a.Sb&&!j&&KH(a,zi,!0),j&&!a.dc&&(a.dc=!0),j?f||(WE(a,1,l,1,!1),WE(a,l+1,g-1,2,!1),WE(a,g,a.Sb,3,!1)):a.dc||WE(a,1,a.Sb,0,!f),UG(a),a.r&&fF(Pp(a.r,"readJME"),0,0,0),a.hc=!0,AG(a.r,pd),a.Ib=!0,c&&a.Ze(a.Ec.d),e=!0)}(d=e)||a.Ze(a.Ec.d)}catch(z){if(z=pq(z),H(z,96))d=!1,a.Ze(a.Ec.d);else throw z;}return d}function RE(a,b,c,d,e){a.r&&fF(Pp(a.r,b),d,e,c);a.hc=!0}function EE(a,b,c){RE(a,b,a.o,c,0)}function 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e,f,g,h,j,l,n,o,r;j=OF(4);f=a.b[c].q-a.b[b].q;g=a.b[c].r-a.b[b].r;n=Math.sqrt(f*f+g*g);0.001>n&&(n=0.001);r=g/n;e=f/n;l=OF(4);for(h=0;4>h;++h)d[h]==c||0>=d[h]||(0==l[1]?l[1]=d[h]:0==l[2]?l[2]=d[h]:0==l[3]&&(l[3]=d[h]));o=OF(4);d=OF(4);for(h=1;3>=h;++h)3==h&&0==l[3]||(f=(a.b[l[h]].q-a.b[b].q)*e+(a.b[l[h]].r-a.b[b].r)*r,g=(a.b[l[h]].r-a.b[b].r)*e-(a.b[l[h]].q-a.b[b].q)*r,n=Math.sqrt(f*f+g*g),0.001>n&&(n=0.001),o[h]=g/n,d[h]=f/n);a=ML(o[1],d[1],o[2],d[2]);0<l[3]?(b=ML(o[2],d[2],\no[3],d[3]),d=ML(o[1],d[1],o[3],d[3]),0<a&&0<b?(j[1]=l[1],j[2]=l[2],j[3]=l[3]):0<d&&0>b?(j[1]=l[1],j[2]=l[3],j[3]=l[2]):0>a&&0<d?(j[1]=l[2],j[2]=l[1],j[3]=l[3]):0<b&&0>d?(j[1]=l[2],j[2]=l[3],j[3]=l[1]):0>d&&0<a?(j[1]=l[3],j[2]=l[1],j[3]=l[2]):0>b&&0>a&&(j[1]=l[3],j[2]=l[2],j[3]=l[1])):0<a?(j[1]=l[1],j[2]=l[2]):(j[1]=l[2],j[2]=l[1]);j[0]=c;return j}function zH(a,b,c,d){DH(a.b[b],c,d)}\nfunction jH(a,b,c){var d,e,f,g,h,j,l,n;e=!1;yH(a,null);switch(a.b[b].j){case 0:zH(a,a.p,a.b[b].q+21.65,a.b[b].r+12.5);break;case 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c,d;if(!b||0==b.c)return m;d=m;d+="M  V30 BEGIN COLLECTION"+(kE(),ba);d+=Xe+a+" [ATOMS=("+b.c;for(c=new uu(b);c.b<c.d.Pf();)d+=ea+vu(c);return d+")]\\nM  V30 END COLLECTION\\n"}\nfunction vH(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)jH(a,a.v,0),a.v=a.p,a.n=!0,jH(a,a.v,0),a.n=!1,a.v=a.p-1,jH(a,a.v,0),a.v=a.p-2,jH(a,a.v,0),237==a.k.k&&(gH(a,a.p,10),gH(a,a.p-1,10),gH(a,a.p-2,10)),236==a.k.k&&(gH(a,a.p,9),gH(a,a.p-1,9),gH(a,a.p-2,9)),239==a.k.k&&(gH(a,a.p,5),gH(a,a.p-1,5),gH(a,a.p-2,5),gH(a,a.p-3,8),a.c[a.q].c=2,a.c[a.q-1].c=2),252==a.k.k&&(gH(a,a.p,5),gH(a,a.p-1,5),gH(a,a.p-2,4),gH(a,a.p-3,8),a.c[a.q].c=2,a.c[a.q-1].c=2),\n251==a.k.k&&(gH(a,a.p,5),gH(a,a.p-1,5),gH(a,a.p-2,5),gH(a,a.p-3,7),a.c[a.q].c=2),c=4;else if(244==a.k.k)jH(a,a.v,0),gH(a,a.p,4),a.v=a.p,jH(a,a.v,0),gH(a,a.p,8),a.v=a.p,a.n=!0,jH(a,a.v,0),a.n=!1,a.v=a.p-1,jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,a.v=a.p-2,jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,c=5;else if(234==a.k.k)jH(a,a.v,0),gH(a,a.p,4),a.v=a.p,a.k.Xb&&eH(a,a.v,1),jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,a.v=a.p-1,jH(a,a.v,0),gH(a,a.p,5),a.k.Xb?(a.c[a.q].c=1,eH(a,a.p,-1)):a.c[a.q].c=2,c=3;else if(235==a.k.k)jH(a,\na.v,0),a.v=a.p,jH(a,a.v,0),gH(a,a.p,5),a.v=a.p-1,jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,c=3;else if(240==a.k.k)jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),gH(a,a.p,5),a.v=a.p,jH(a,a.v,0),a.v=a.p-2,jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,c=4;else if(260==a.k.k)jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),gH(a,a.p,4),a.v=a.p-1,jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,c=3;else if(261==a.k.k)jH(a,a.v,0),gH(a,a.p,4),a.v=a.p,jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),gH(a,a.p,5),a.c[a.q].c=2,c=3;else if(241==a.k.k)jH(a,a.v,0),gH(a,a.p,5),a.v=a.p,\njH(a,a.v,0),a.v=a.p,jH(a,a.v,0),a.v=a.p-1,jH(a,a.v,0),a.c[a.q].c=2,gH(a,a.p,5),c=4;else if(243==a.k.k)jH(a,a.v,0),gH(a,a.p,4),a.v=a.p,jH(a,a.v,0),a.v=a.p-1,jH(a,a.v,0),c=3;else if(238==a.k.k)jH(a,a.v,0),a.v=a.p,a.n=!0,jH(a,a.v,0),a.c[a.q].c=3,a.n=!1,c=2;else if(249==a.k.k)jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),a.c[a.q].c=2,gH(a,a.p,5),c=2;else if(250==a.k.k)jH(a,a.v,0),a.c[a.q].c=2,gH(a,a.p,5),c=1;else if(245==a.k.k)jH(a,a.v,0),a.v=a.p,a.n=!0,jH(a,a.v,0),a.v=a.p,a.c[a.q].c=3,jH(a,a.v,0),a.n=!1,c=3;else if(242==\na.k.k)jH(a,a.v,0),a.v=a.p,a.n=!0,jH(a,a.v,0),a.c[a.q].c=3,gH(a,a.p,4),a.n=!1,c=2;else if(254==a.k.k)jH(a,a.v,0),gH(a,a.p,9),c=1;else if(255==a.k.k)jH(a,a.v,0),gH(a,a.p,10),c=1;else if(256==a.k.k)jH(a,a.v,0),gH(a,a.p,11),c=1;else if(257==a.k.k)jH(a,a.v,0),gH(a,a.p,12),c=1;else if(258==a.k.k)jH(a,a.v,0),gH(a,a.p,4),c=1;else if(259==a.k.k)jH(a,a.v,0),gH(a,a.p,5),c=1;else if(246==a.k.k)jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),c=2;else if(247==a.k.k)jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),c=3;else if(248==\na.k.k)jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),a.v=a.p,jH(a,a.v,0),a.v=a.p,jH(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==pH(n.b[e])){c=e;break}g=a.p;h=a.v;e=new OL;f=PL(e,a,h,1);d=null;f&&(d=new OL,PL(d,a,h,-1));l=new OL;PL(l,n,c,0);var o;o=a.p;for(j=1;j<=n.p;++j)yH(a,n.b[j]),gH(a,a.p,n.b[j].a);for(j=1;j<=n.q;++j)MH(a,null),cL(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;cI(a);TE(a.b[g+c]);QL(l,a,g+1,a.p,h,e);\nif(f&&(f=RL(a,g+1,a.p),0<f)){for(j=1;j<=n.p;++j)zH(a,g+j,n.b[j].q,n.b[j].r);QL(l,a,g+1,a.p,h,d);d=RL(a,g+1,a.p);if(!(d<=f)){for(j=1;j<=n.p;++j)zH(a,g+j,n.b[j].q,n.b[j].r);QL(l,a,g+1,a.p,h,e)}}MH(a,null);a.c[a.q].i=h;a.c[a.q].j=c+g;cI(a);b&&(DE(a,h),aF(a));c=n.p}}SL(a,c);a.v=a.x;b&&(a.v=0)}\nfunction NL(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>VF((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 iH(a){var b,c,d,e,f,g,h,j,l,n,o,r,t,z;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=cK(312.5/(1-Math.cos(f)));if(0<a.v)if(2>a.b[a.v].j)TL(a,j,f,l);else if(!a.k.Bb&&!a.k.rc)n=a.v,jH(a,a.v,0),a.v=a.p,TL(a,j,f,l);else{a.k.rc=!1;if(209==a.k.k||221==a.k.k||223==a.k.k){gt(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[RH(a,a.v,a.b[a.v].p[d])].c,2<d||1!=b){gt(a.k,"ERROR - spiro ring not possible here !");a.k.cb=9;return}b=OF(2);NL(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=yH(a,null),r=f*d+1.5707963267948966,DH(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;z=a.b[b].r+r*e+h*g;for(d=1;d<=j;++d)h=yH(a,null),r=f*(d+0.5)+3.141592653589793*o,DH(h,t+l*(Math.sin(r)*e-Math.cos(r)*g),z+l*(Math.cos(r)*e+Math.sin(r)*g)),1==o?(d==j&&DH(h,a.b[b].q,a.b[b].r),\nd==j-1&&DH(h,a.b[c].q,a.b[c].r)):(d==j-1&&DH(h,a.b[b].q,a.b[b].r),d==j&&DH(h,a.b[c].q,a.b[c].r))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)h=yH(a,null),r=f*(d-b),DH(h,a.z+l*Math.sin(r),a.A+l*Math.cos(r))}b=j;l=0;for(f=1;f<=b;++f)MH(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[RH(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[RH(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;gH(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,gH(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,gH(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,gH(a,a.p-2,5));l=OF(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,TH(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;QH(a,l[b],l[e],a.c[f].c)}else 0<l[b]?QH(a,l[b],e,a.c[f].c):\n0<l[e]&&QH(a,l[e],b,a.c[f].c);d=a.p-j;for(f=a.p;f>d;--f)if(0<l[f]&&(DE(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&&SL(a,j);-1<n&&(a.v=n)}\nfunction TL(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=yH(a,null),j=c*g-1.5707963267948966,DH(h,l+d*(Math.sin(j)*f-Math.cos(j)*e),n+d*(Math.cos(j)*f+Math.sin(j)*e))}function SL(a,b){var c,d;0==b&&(b=a.p);for(c=a.p;c>a.p-b;--c)d=EH(a,c,1,a.p),0!=d&&bF(a.b[c],6,6)}\nfunction RH(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 sG(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 bI(a,b,c){var d,e,f,g;e=Gk;for(f=g=0;;){++g;for(d=1;d<=a.p;++d)if(Hv(c[d])){e=c[d];break}for(d=1;d<=a.p;++d)Hv(c[d])&&!rv(c[d],e)&&(e=c[d]);for(d=1;d<=a.p;++d)Bv(c[d],e)&&(b[d]=g,c[d]=Gk,++f);if(f==a.p)break}return g==a.p}\nfunction aF(a){var b,c,d;d=c=0;a.k&&(b=$E(a.k),c=b.b,d=b.a);0>=c||0>=d?a.s=!0:(b=YE(a),c=c/2-b.a,b=d/2-b.b,a.k.Ob||GH(a,c,b),cF(a))}\nfunction eH(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&&gt(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?gt(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?gt(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?gt(a.k,"Charge change not possible on multibonded "+(kE(),rE)[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:gt(a.k,"Charge change not possible on the halogen !");break;case 32:gt(a.k,"Use X button to change charge on the X atom !")}if(0<yE(a.b[b].a)){var c=a.b[b],g,h,j,l;g=!1;h=yE(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&&gt(a.k,"Metallic "+(kE(),rE)[c.a]))),g=c.n!=l||c.i!=j,c.n=l,c.i=j));g||gt(a.k,"Charge change not possible on "+\n(kE(),rE)[a.b[b].a])}return e!=a.b[b].n||f!=a.b[b].i}function SG(a){var b,c,d,e,f;e=0;f=!1;for(a.a=OF(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 EH(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 GE(a){dI(a);YH(a)}\nfunction YH(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;dI(a)}1==a.b[b].n&&1==a.b[c].n&&(2==e?e=1:3==e&&(e=2),d.c=e,dI(a));4==e&&(e=1);d.c=\ne}}function ML(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 cI(a){UL(a);cF(a);dI(a)}\nfunction YE(a){var b,c,d,e,f,g;b=new dL;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 RL(a,b,c){var d,e;e=0;for(d=1;d<=a.p;++d)d>=b&&d<=c||0!=EH(a,d,b,c)&&++e;return e}function QH(a,b,c,d){var e;e=MH(a,null);NH(a.b[b],c);NH(a.b[c],b);e.i=b;e.j=c;TH(e,a.b);e.c=d;return e}\nfunction yH(a,b){++a.p;b?a.b[a.p]=WK(b):a.b[a.p]=new PH;return a.b[a.p]}function UF(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 VL(g-1-2,a-2,d+1+4,e+4)}function MH(a,b){var c;++a.q;c=new bL;b&&cL(c,b);return a.c[a.q]=c}\nfunction mH(a,b,c){var d,e,f,g,h,c=oH(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+=qH(0.055999999999999994*(a.b[b].q-d),10,4)+qH(0.055999999999999994*(e-a.b[b].r),10,4)+qH(0,10,4),g=TF(a,b),1==g.length?g+=ha:2==g.length?g+=ea:3<g.length&&(g="Q  "),c+=ea+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=aI(TF(a,b),a.b[b].d),-3<=g&&4>=g&&(h=g)),\ng=lH(h,2)+lH(f,3)+"  0  0  0  0  0  0  0",f=XH(a,b),g+=lH(f,3),c+=g+ia+(kE(),ba);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=lH(d.i,3)+lH(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=lH(d.j,3)+lH(d.i,3)),1==e&&4==d.f&&(h=6,f=lH(d.j,3)+lH(d.i,3)),c+=f+lH(g,3)+lH(h,3)+ja+(kE(),ba);for(b=1;b<=a.p;++b)0!=a.b[b].n&&(c+="M  CHG  1"+lH(b,4)+lH(a.b[b].n,4)+(kE(),ba)),0!=a.b[b].d&&(c+="M  ISO  1"+lH(b,4)+lH(a.b[b].d,4)+(kE(),ba));return c+=Ue+(kE(),ba)}\nfunction DE(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],cL(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)dF(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 FE(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&&DE(a,c);0==a.b[d].j&&DE(a,d)}\nfunction UE(a){var b,c,d;c=!1;UL(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=RH(a,d,b);if(1==a.c[b].c&&(0==a.c[b].f||!a.k.tc))DE(a,d),c=!0}return c}function WL(a,b){var c,d,e,f,g;g=y(A,u,-1,[0,0]);for(e=1,f=0;e<=a.b[b].j;++e)c=a.b[b].p[e],d=RH(a,b,c),2!=a.c[d].c&&(g[f++]=c);return g}\nfunction UL(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,NH(a.b[b],c),NH(a.b[c],b)}\nfunction $H(a,b,c){var d,e,f,g,h,j,l,n,o;a.d=OF(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[RH(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(kd)?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 XH(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 cF(a){var b;for(b=1;b<=a.q;++b)TH(a.c[b],a.b)}\nfunction gI(a,b){var c,d,e,f,g,h;h=1;f=b;e=OF(a.p+1);if(XK(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=RH(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 ZH(a,b){var c;for(c=1;c<=a.q;++c)ZF(a,a.c[c].i,a.c[c].j)?b[c]=!1:b[c]=!0}function iG(a){var b,c,d;if(0==a.p)return 0;d=-999999;for(b=1;b<=a.p;++b)c=pH(a.b[b]),c>d&&(d=c);return d}\nfunction TF(a,b){var c;c=(kE(),rE)[a.b[b].a];32==a.b[b].a&&(c=a.b[b].e);return c}function SH(a,b){a.b[b].j+=-1}function ZF(a,b,c){var d,e,f,g,h;h=1;a.a=OF(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 wH(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?TE(b):(a.k.Bb||++a.o,b.f=a.o);return!0}function oH(a,b,c,d){var e,f;f=d?0:a.f.a&&sG(a)?1:0;e=b;79<b.length&&(e=b.substr(0,76)+Rb);e+=(kE(),ba);c?e+="JME 2017-02-26 "+new JK+"\\n\\n":e+="JME\\n\\n";e+=lH(d?0:a.p,3)+lH(d?0:a.q,3);return e+=ia+lH(f,3)+"  0  0  0  0  0999 "+(d?Jf:Df)+ba}function GH(a,b,c){var d;for(d=1;d<=a.p;++d)bF(a.b[d],b,c)}\nfunction cH(a){var b;a.t=0;a.o=0;for(b=1;b<=a.p;++b)a.v=b,wH(a);a.v=0}function dH(a){var b,c;b=YE(a);c=a.k.M.b;a.k.J||(c=Uu(c-a.k.mb));return b.a<~~(c/2)-24?1:b.a>~~(c/2)+24?3:2}function ME(a,b){var c,d,e,f,g,h,j;c=YE(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,DH(a.b[f],h,j);c=YE(a);GH(a,d-c.a,e-c.b)}\nfunction VH(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/cK((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 hH(a,b,c){var d,e,f,g,h;if(0==c.indexOf(Mf)&&dK(c,Tf))c=$C(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=OD(VK,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!=YK(h)){if(null!=o&&0<o.length){o=qD(o,10);var z;a:{var v;v=Au((!ZK&&$K(),ZK),h);if(null!=v)for(z=0;z<v.length;++z)if(o==v[z]){z=!0;break a}z=!1}z?e.d=o:n=!1}}else n=!1;n&&(null!=f&&0<f.length?(l=qD(f,10),l*=J(g,$a)?-1:1):null!=r&&0<r.length&&(l=r.length,l*=\nJ(r,$a)?-1:1));n&&(c=h+(null!=t?t:m),e.n=l);null!=j&&0<j.length&&(f=qD(j,10),e.f=f)}g=!1;-1<c.indexOf(Pa)&&(g=!0);-1<c.indexOf(Uc)&&(g=!0);-1<c.indexOf(na)&&(g=!0);-1<c.indexOf("!")&&(g=!0);f=c.indexOf(Nc);e=c.indexOf(Ee);if(-1<f){h=hx(c,f+1);try{d=qD(h,10),a.b[b].f=d}catch(E){if(E=pq(E),!H(E,96))throw E;}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(J(f,(kE(),rE)[g])){f=g;break b}f=32}gH(a,b,f);32==a.b[b].a&&(a.b[b].e=d);c+=\nea;d=0;0<e&&(d=1,e=GJ(c,++e),48<=e&&57>=e&&(d=e-48));32==a.b[b].a&&(a.b[b].i=d)}}}function RG(a,b,c){var d,e;a.i=1;c&&(a.i=-1);b=new KD(b);try{for(;b.j=DD(b,b.a),b.j<b.i;)d=uG(qD(GD(b),10)).a,c=e=uG(qD(GD(b),10)).a,(0>c||6<c)&&(c=0),a.b[d].c=c}catch(f){if(f=pq(f),H(f,96))qp(f);else throw f;}}function NE(a,b){return a.f!=b?(a.f=b,!0):!1}\nfunction jI(a,b,c,d,e){b=RH(a,b,c);5!=a.d[b]&&2==a.c[b].c?sp(d.a,ad):3==a.c[b].c?sp(d.a,na):9==a.c[b].c?(e=cd,a=a.c[b].d,null!=a&&(e=a),sp(d.a,e)):1==e[b]?sp(d.a,Tb):-1==e[b]&&sp(d.a,Of)}\nfunction HE(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=C(OH,q,119,b,0);for(c=1;c<=b;++c)d[c-1]=new XL(a.k,a,c);return d}function nG(a,b,c,d){a=c-a;b=d-b;return a*a+b*b}\nfunction xH(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,gt(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:gt(a.k,"Stereomarking allowed only on single and double bonds!")}\nfunction eI(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,!XK(a.b[f])||!XK(a.b[b])){e=null;XK(a.b[f])?e=gI(a,b):XK(a.b[b])&&(e=gI(a,f));if(null!=e)if(1==(e[0]-1)%2)f=e[1],b=e[e[0]];else return;e=y(A,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=WL(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=RH(a,f,h);0!=d[j]?e=h:1==a.c[j].c&&5!=a.d[j]&&(e=h);0==e&&0<l&&(j=RH(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=WL(a,b);l=j[0];g=j[1];h=0;0<g&&c[l]<c[g]&&(j=l,l=g,g=j);j=RH(a,b,l);1==a.c[j].c&&5!=a.d[j]&&0==d[j]&&(h=l);0==h&&0<g&&(j=RH(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))gt(a.k,"Not unique E/Z geometry !");else{g=\nRH(a,e,f);h=RH(a,h,b);r=1;if(0==d[g]){for(o=1;o<=a.b[e].j;++o)if(b=a.b[e].p[o],b!=f&&(j=RH(a,e,b),0!=d[j])){c[b]>c[e]?r=-d[j]:r=d[j];break}d[g]=r}0==d[h]&&(0<l&&0<t||0>l&&0>t?d[h]=-d[g]:d[h]=d[g],n&&(d[h]=-d[h]))}}}function fI(a,b,c){var d;d=a.c[b].f;return 1>d||4<d?0:1==d&&a.c[b].i==c?1:2==d&&a.c[b].i==c?-1:3==d&&a.c[b].j==c?1:4==d&&a.c[b].j==c?-1:0}\nfunction dI(a){var b;for(b=1;b<=a.p;++b){var c;a:{for(var d=c=void 0,e=void 0,e=0,d=1;d<=a.b[b].j;++d)if(c=a.c[RH(a,b,a.b[b].p[d])],1==c.c)e+=1;else if(2==c.c)e+=2;else if(3==c.c)e+=3;else if(9==c.c){c=-1;break a}c=e}a.b[b].o=c;c=a;var d=b,f=e=void 0,g=void 0,e=c.b[d],g=e.o;if(-1==g)e.i=0;else{switch(e.a){case 1:2==g?c.b[d].n=1:1<=g&&(c.b[d].n=0);e.i=0;break;case 2:3==g||5==g?(e.i=0,c.b[d].n=0):3>g?e.i=3-g-c.b[d].n:4==g?(c.b[d].n=-1,e.i=0):5<g&&(c.b[d].n=g-5,e.i=0);break;case 3:case 6:4>g?0<c.b[d].n?\ne.i=2-g+c.b[d].n:0>c.b[d].n?e.i=2-g-c.b[d].n:e.i=4-g:(c.b[d].n=g-4,e.i=4-g+c.b[d].n);break;case 4:case 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=yE(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 eF(a){JL(this);this.b[0]=new PH;this.t=this.q=this.p=0;this.k=a}\nfunction QG(a,b){var c,d,e,f,g,h,j,l,n;eF.call(this,a);if(null!=b&&(f=m,l=OG(b),null!=l)){n=new JD(b,l,!0);for(g=1;4>=g;++g)f=PG(n,l);e=uG(qD(gx(f.substr(0,3)),10)).a;j=uG(qD(gx(f.substr(3,3)),10)).a;g=0;try{g=uG(qD(gx(f.substr(14,1)),10)).a}catch(o){if(o=pq(o),!H(o,96))throw o;}NE(this,(OE(),1==g?PE:QE));for(g=1;g<=e;++g){d=yH(this,null);f=PG(n,l);d.q=(new UJ(RJ(gx(f.substr(0,10))))).a;d.r=-(new UJ(RJ(gx(f.substr(10,10))))).a;d=34;34>f.length&&(d=f.length);d=gx(f.substr(31,d-31));hH(this,g,d);62<=\nf.length&&(h=gx(f.substr(60,3)),0<h.length&&(h=uG(qD(h,10)).a,0!=h&&(this.b[this.p].f=h)));if(36<=f.length&&(h=gx(f.substr(34,2)),0<h.length&&(h=uG(qD(h,10)).a,0!=h&&-3<=h&&4>=h))){var r=void 0,r=YK(d);d=0<r?r+h:-1;0>d&&(d=0);this.b[g].d=d}if(39<=f.length&&(h=gx(f.substr(37,2)),0<h.length&&(h=uG(qD(h,10)).a,0<h&&7>=h))){f=0;switch(h){case 1:f=3;break;case 2:f=2;break;case 3:f=1;break;case 4:f=0;break;case 5:f=-1;break;case 6:f=-2;break;case 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