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case 208:gD(a,b,h,g,5);break;case 209:gD(a,b,h,g,1);break;case 210:gD(a,b,h,g,6);break;case 211:gD(a,b,h,g,7);break;case 212:gD(a,b,h,g,8);break;case 213:eD(a,b,h,g,"FG"),a.F=new OA(h,g)}else d=3,301==f?d=3:401==f?d=4:501==f?d=5:601==f?d=8:701==f?d=9:801==f?d=10:901==f?d=11:1001==f?d=12:1101==f?d=7:1201==f?d=18:1301==f&&(d=19),(a.Rb||1201!=f)&&null!=vC[d]&&fD(a,b,h,g,tC[d],vC[d])}
function hD(a){var b,c,d;a.kb&&(null==a.J&&(a.J=l),d=a.I.a,c=a.C.b-a.Y,b=a.Y,X(d,rC),zA(d,0,0,c,b),a.ob?(X(d,(Kz(),Pz)),ZC(d,-1,0,c,b-1)):(X(d,sC),Y(d,0,0,c-1-2,0),X(d,$z(rC)),Y(d,0,b-1,c-1,b-1),Y(d,c-1,0,c-1,b-1)),iD(d,a.X),X(d,(Kz(),Rz)),-1!=a.J.toLowerCase().indexOf(fe)&&X(d,Sz),jD(d,a.J,10,15),kD(a.Ub,a.I,a.Y,a.C.a-a.Y))}
function lD(a){var b,c,d,e;if(a.lb){d=a.Q.a;c=a.Y;b=a.C.a-2*a.Y-a.S;X(d,rC);zA(d,0,0,c,b);a.ob?(X(d,(Kz(),Pz)),Y(d,0,b-1,c,b-1),e=mD*(a.Y+a.S)+2,Y(d,0,e,c,e),Y(d,0,e,0,b),Y(d,a.Y-1,e,a.Y-1,b-a.Y)):(X(d,sC),Y(d,0,0,0,b-1),Y(d,0,mD*a.Y,b-1,mD*a.Y),X(d,$z(rC)),Y(d,c-1,0,c-1,b-1-a.Y),Y(d,0,b-1,c-1,b-1));for(b=3;b<=mD+2;++b)YC(a,d,1,b);kD(a.Ub,a.Q,0,2*a.Y+a.S)}}
function nD(a){var b,c,d,e;if(a.mb){e=a.cb.a;c=a.C.b-a.Y;b=a.C.a-3*a.Y-a.S;X(e,a.t);zA(e,0,0,c,b);d=a.db?(VA(),YA):(VA(),$A);if((VA(),WA)==(VA(),WA))d==YA?e.a=l:e.a=tg;d=new iz(a.eb);(e.n=d)&&d&&(e.b='stroke-width="'+d.e+fa);for(d=1;d<=a.ub;++d){var f=a.fb[d],g=e,j=void 0,h=void 0,n=void 0,o=void 0,r=void 0,q=n=void 0,u=void 0,v=void 0,D=void 0,E=D=r=o=void 0,J=void 0,Q=void 0,tb=o=v=r=j=void 0,V=o=j=void 0,L=h=r=h=void 0,da=D=Q=void 0,J=h=q=r=r=E=u=L=j=V=V=v=L=J=q=V=L=u=da=q=J=n=Q=o=v=v=E=J=void 0,
D=Q=1,n=2,da=3;f.w&&(TC(f),QC(f.n,1,f.n.ub,0),f.w=!1);n*=f.n.B;da*=f.n.B;j=1;0.7>f.n.B&&(j=1.2);j=N(M(oD(13*f.n.B*j)));pD(f.n,j);f.n.A&&(X(g,(Kz(),Rz)),ZC(g,0,0,f.n.C.b-1,f.n.C.a-1));if(0!=f.t){if(-1==f.j){o=N(M(Math.round(12*n)));for(j=1;j<=f.t;++j)0<f.d[j]&&7>f.d[j]&&(X(g,(pC(),wC)[f.d[j]]),h=g,r=K(f.J[j]-o/2),V=K(f.M[j]-o/2),L=u=o,$C(h,!0),aD(h,bD(h,r,V,u,L)));for(j=1;j<=f.u;++j)h=f.H[j],o=f.I[j],0!=f.d[h]&&f.d[h]==f.d[o]&&(X(g,(pC(),wC)[f.d[h]]),J=f.J[o]-f.J[h],Q=f.M[o]-f.M[h],D=Math.sqrt(J*J+
Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=3*da*Q,J=3*da*D,V=y(I,s,-1,4,1),r=y(I,s,-1,4,1),V[0]=K(f.J[h]+q),r[0]=K(f.M[h]-J),V[1]=K(f.J[o]+q),r[1]=K(f.M[o]-J),V[2]=K(f.J[o]-q),r[2]=K(f.M[o]+J),V[3]=K(f.J[h]-q),r[3]=K(f.M[h]+J),o=g,h=V,$C(o,!0),aD(o,qD(o,h,r,4,!0)))}for(j=1;j<=f.u;++j){X(g,(Kz(),Rz));h=f.H[j];o=f.I[j];1==f.j&&0!=f.d[h]&&f.d[h]==f.d[o]&&X(g,(pC(),wC)[f.d[h]]);if(3==f.B[j]||4==f.B[j])r=h,h=o,o=r;L=f.J[h];u=f.M[h];V=f.J[o];r=f.M[o];if(1!=f.s[j]||0!=f.B[j])J=V-L,Q=r-u,D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),
Q/=D,D=J/D;switch(f.s[j]){case 2:10<=f.B[j]&&X(g,Vz);q=n*Q;J=n*D;Y(g,N(M(Math.round(L+q))),N(M(Math.round(u-J))),N(M(Math.round(V+q))),N(M(Math.round(r-J))));Y(g,N(M(Math.round(L-q))),N(M(Math.round(u+J))),N(M(Math.round(V-q))),N(M(Math.round(r+J))));X(g,Rz);break;case 3:o=N(M(Math.round(L)));h=N(M(Math.round(u)));V=N(M(Math.round(V)));r=N(M(Math.round(r)));Y(g,o,h,V,r);L=N(M(Math.round(da*Q)));u=N(M(Math.round(da*D)));Y(g,o+L,h-u,V+L,r-u);Y(g,o-L,h+u,V-L,r+u);break;case 9:case 0:for(h=0;10>h;++h)v=
L-(L-V)/10*h,E=u-(u-r)/10*h,Y(g,N(M(Math.round(v))),N(M(Math.round(E))),N(M(Math.round(v))),N(M(Math.round(E))));iD(g,f.n.k);o=rD(f.n.n);J=f.e[j];h=rb;null!=J&&(h=J);J=cB(f.n.n,h);L=N(M(Math.round((L+V)/2-J/2)));q=N(M(Math.round((u+r)/2+~~(o/2)-1)));X(g,Vz);jD(g,h,L,q);X(g,Rz);break;default:if(1==f.B[j]||3==f.B[j])q=da*Q,J=da*D,E=y(I,s,-1,3,1),v=y(I,s,-1,3,1),E[0]=N(M(Math.round(V+q))),v[0]=N(M(Math.round(r-J))),E[1]=N(M(Math.round(L))),v[1]=N(M(Math.round(u))),E[2]=N(M(Math.round(V-q))),v[2]=N(M(Math.round(r+
J))),o=g,h=E,r=v,$C(o,!0),aD(o,qD(o,h,r,3,!0));else if(2==f.B[j]||4==f.B[j]){q=da*Q;J=da*D;for(h=0;10>h;++h)v=L-(L-V)/10*h,E=u-(u-r)/10*h,o=h/10,Y(g,N(M(Math.round(v+q*o))),N(M(Math.round(E-J*o))),N(M(Math.round(v-q*o))),N(M(Math.round(E+J*o))))}else Y(g,N(M(Math.round(L))),N(M(Math.round(u))),N(M(Math.round(V))),N(M(Math.round(r))))}}D=y(RC,m,-1,f.t+1,1);Q=y(I,s,-1,f.t+1,1);for(j=1;j<=f.u;++j)h=f.H[j],o=f.I[j],n=f.J[h],r=f.J[o],++Q[h],++Q[o],D[h]=D[h]/Q[h]+r/Q[h],D[o]=D[o]/Q[o]+n/Q[o];iD(g,f.n.k);
o=rD(f.n.n);J=y(fs,m,1,f.t+1,0);V=y(I,s,-1,f.t+1,1);r=y(I,s,-1,f.t+1,1);n=y(sD,m,54,f.t+1,0);u=2;1!=f.n.B&&(u=N(M(oD(2*f.n.B))));for(j=1;j<=f.t;++j)h=tD(f,j),(null==h||1>h.length)&&(h=wa),3==f.b[j]&&0<f.z[j]&&0==f.A[j]?(J[j]=h,V[j]=r[j]=cB(f.n.n,h),n[j]=uD(f,u,j,V[j],V[j],o,!1)):(L=D[j]<f.J[j],E=!0,1<Q[j]&&(0>=D[j]-f.J[j]?0-(D[j]-f.J[j]):D[j]-f.J[j])<25*f.n.B/3&&(E=!1),2<Q[j]&&(E=!1),1==Q[j]&&(0>=D[j]-f.J[j]?0-(D[j]-f.J[j]):D[j]-f.J[j])<25*f.n.B/10&&(L=!0),q=h,tb=l,f.n.Kb&&0<f.x[j]&&(tb+=Ub,1<f.x[j]&&
(tb+=f.x[j])),v=l,0!=f.A[j]&&(1<Sj(f.A[j])&&(v+=Sj(f.A[j])),0<f.A[j]?v+=xa:v+=Ca),L||!E?h=h+tb+v+l:h=v+tb+l+h,E||(q=h),J[j]=h,q=cB(f.n.n,q),v=cB(f.n.n,h),V[j]=q,r[j]=v,v=n[j]=uD(f,u,j,q,v,o,L),L=v.c+u+1,q=v.d+o+u,X(g,f.n.t),-1==f.j&&0!=f.d[j]&&X(g,(pC(),wC)[f.d[j]]),zA(g,v.c,v.d,v.b,v.a),1==f.j?0!=f.d[j]?X(g,(pC(),wC)[f.d[j]]):X(g,(Kz(),Rz)):X(g,(pC(),tC)[f.b[j]]),jD(g,h,L,q));for(h=1;h<=f.y;++h)j=f.q[h][0],q=V[j],v=r[j],L=N(M(oD(f.J[j]-q/2))),q=N(M(oD(f.M[j]+~~(o/2)-1))),X(g,(Kz(),Vz)),jD(g,ba+f.q[h][1],
L+v,q);if(0<f.D||0<f.E)if(X(g,104==f.n.c?(Kz(),Sz):(Kz(),Yz)),0<f.D&&106!=f.n.c&&(v=n[f.D],ZC(g,v.c,v.d,v.b,v.a)),0<f.E&&(h=f.H[f.E],o=f.I[f.E],J=f.J[o]-f.J[h],Q=f.M[o]-f.M[h],D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=(da+1)*Q,J=(da+1)*D,E=y(I,s,-1,5,1),v=y(I,s,-1,5,1),E[0]=N(M(oD(f.J[h]+q))),E[1]=N(M(oD(f.J[o]+q))),v[0]=N(M(oD(f.M[h]-J))),v[1]=N(M(oD(f.M[o]-J))),E[3]=N(M(oD(f.J[h]-q))),E[2]=N(M(oD(f.J[o]-q))),v[3]=N(M(oD(f.M[h]+J))),v[2]=N(M(oD(f.M[o]+J))),E[4]=E[0],v[4]=v[0],106!=f.n.c&&(da=
g,j=E,Q=v,da.n&&($C(da,!1),aD(da,qD(da,j,Q,5,!0)))),106==f.n.c&&vD(f,f.H[f.E],f.I[f.E]))){da=0;for(j=1;j<=f.t;++j)0<f.a[j]&&++da;if(da>~~(f.t/2))for(j=1;j<=f.t;++j)0<f.a[j]?f.a[j]=0:f.a[j]=1;X(g,(Kz(),Sz));for(j=1;j<=f.t;++j)0<f.a[j]&&(v=n[j],ZC(g,v.c,v.d,v.b,v.a))}}}a.z||(a.ob?(X(e,(Kz(),Pz)),Y(e,c-1,0,c-1,b-1)):(X(e,$z(rC)),Y(e,c-1,0,c-1,b-1),X(e,rC),Y(e,c-2,0,c-2,b-1),X(e,sC),Y(e,c-3,0,c-3,b-1)));a.Fb&&(d=~~((c-48)/2),X(e,(Kz(),Vz)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),
Y(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new mA(Vb,0,13),a.W=new bB(a.T),null!=a.bb&&(d=cB(a.W,a.bb),c=N(M(Math.round((c-d)/2))),b-=13,X(e,(Kz(),Rz)),iD(e,a.T),jD(e,a.bb,c,b)));kD(a.Ub,a.cb,a.Y,2*a.Y+a.S)}}
function gD(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Y/4);g=!1;h=y(I,s,-1,9,1);n=y(I,s,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+a*Math.sin(j)),n[f]=K(d+a*Math.cos(j));f=e+1;b.n&&($C(b,!1),aD(b,qD(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+(a-3)*Math.sin(j)),n[f]=K(d+(a-3)*Math.cos(j));Y(b,h[0],n[0],h[1],n[1]);Y(b,h[2],n[2],h[3],n[3]);Y(b,h[4],n[4],h[5],n[5])}}
function wD(a){var b,c,d;if(a.nb){d=a.Qb.a;b=a.C.b;c=2*a.Y+a.S;X(d,rC);zA(d,0,0,b,c);a.ob?(X(d,(Kz(),Pz)),c=14*(a.Y+a.S),ZC(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,$z(rC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,sC),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;14>=b;++b)YC(a,d,b,1),YC(a,d,b,2);a.c=c;kD(a.Ub,a.Qb,0,0)}}
function dD(a,b,c,d,e){var f,g,j,h,n,o,r,q;n=~~(d/4);o=2+~~(n/2);g=2+n;q=c+~~(10*d/24);h=q+n;r=b+d;e?(j=2+b,f=o+b,g+=b):(f=r-o,j=r-2,g=r-g);Y(a,j,q,f,h);Y(a,g,q,f,h);j=~~(n/3);Y(a,f,q+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=r-f-o,h*=-1,e=-90);cD(a,b,c+o-j,f,d-4-j-1,e,h)}
function xD(a,b,c){var d,e,f,g,j,h;yD(a,c);if(0==b.indexOf("$RXN")){a.Fb=!0;a.jb=!0;j=zD(b);b=new jC(b,j,!0);e=l;for(d=1;5>=d;++d)e=AD(b,j);d=BD(PB(Vn(e.substr(0,3)),10)).a;g=BD(PB(Vn(e.substr(3,3)),10)).a;AD(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=AD(b,j),null==h||G(h,"$MOL"));)f+=h+j;a.fb[++a.ub]=new CD(a,f)}QC(a,1,d,1);QC(a,d+1,d+g,3)}else{a.Fb=!1;a.Z=new CD(a,b);if(!a.Z||0==a.Z.t)return a.kb=!0,a.J="ERROR - problems in reading/processing MOL input",NC(a),!1;null!=a.i&&a.Z&&DD(a.Z,a.i,!0);null!=a.j&&
a.Z&&DD(a.Z,a.j,!1);j=ED(a.Z,!1);if(1==j)a.fb[++a.ub]=a.Z;else{a.jb=!0;for(e=1;e<=j;++e)a.fb[++a.ub]=new FD(a,a.Z,e)}a.e=1;a.Z=a.fb[a.e];QC(a,1,j,0)}c&&NC(a);return!0}function xq(a,b){a.kb=!0;a.J=b}function pD(a,b){100>b&&(!yC[b]&&(yC[b]=new mA(Vb,0,b)),!AC[b]&&as(AC,b,new bB(yC[b])),a.k=yC[b],a.n=AC[b])}
function Bq(a,b){var c,d;if(0==b)return!1;MC(a);c=a.c;a.c=b;if(300>=b)switch(a.nb=!0,a.lb=!0,b){case 102:VC(a);break;case 110:a.mb=!0;a.c=c;a.$.a!=a.$.b&&a.$.a.b!=a.$.b?a.f&&(++a.ub,a.e=a.ub,a.f=!1):(a.kb=!0,a.J="No more undo");if(!(a.$.a!=a.$.b&&a.$.a.b!=a.$.b))break;GD(a,HD(a.$));a.mb=!0;break;case 111:a.c=c;if(a.$.a.c)a.f&&(++a.ub,a.e=a.ub,a.f=!1);else{a.kb=!0;a.J="No more redo";break}if(!a.$.a.c)break;d=a.$;if(!d.a.c)throw new Ru("Cannot redo. Index is out of range.");if(!d.a.c)throw new Ru(Yb);
d.a=d.a.c;GD(a,d.a.a);a.mb=!0;break;case 152:a.c=c;d=a.Hb;d.a<d.c-1?(++d.a,d=Ht(d,d.a)):d=null;null==d?(a.kb=!0,a.J=hc):(xq(a,dc+(a.Hb.a+1)+ca+a.Hb.c),d=ID(d),JD(a,d,!1,!0),null!=a.sb&&lC(a.sb,null));break;case 151:a.c=c;d=a.Hb;0<d.a?(--d.a,d=Ht(d,d.a)):d=null;null==d?(a.kb=!0,a.J=hc):(xq(a,dc+(a.Hb.a+1)+ca+a.Hb.c),d=ID(d),JD(a,d,!1,!0),null!=a.sb&&lC(a.sb,null));break;case 101:a.Lb&&KD(a.Lb);a.Lb=new LD(1,a);a.c=c;break;case 107:!a.Db?a.Db=new MD(a):a.Db.gc.c.$?ND(a.Db.gc.c):OD(a.Db);break;case 114:a.b&&
KD(a.b);a.b=new LD(0,a);a.c=c;break;case 103:a.mb=!0;a.pb=!0;a.c=c;break;case 105:a.mb=!0;a.q&&a.gb&&(a.gb=!1,PD(a.Z),a.c=c);a.y=1;break;case 109:a.c=c;d=QD(a.Z);if(2==d){a.kb=!0;a.J="Copying the agent not possible !";break}d=y(RC,m,-1,4,1);SC(a.Z,d);a.mb=!0;a.Z=new EC(a.Z);d=K(~~((a.C.b-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;RD(a.Z);a.fb[++a.ub]=a.Z;a.e=a.ub;break;case 104:0<a.Z.D?(a.mb=!0,SD(a.Z,a.Z.D),a.Z.D=0,OC(a)):0<a.Z.E&&(a.mb=!0,TD(a.Z,a.Z.E),a.Z.E=0,OC(a));UD(a.Z);break;case 213:a.c=
c;if(!a.E){var e,f,g,j;j=new SA;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new LA(c),RA(j,g),g.c=c,dz(g.d,a);by(a,j);a.E=j}VD(a.E.a,a,a.F.a,a.F.b)}else{a.lb=!0;a.nb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(KD(a.o),a.o=null);0==a.Z.D&&(a.o=new LD(2,a));a.d=18;break;case 1301:a.d=19;break;case 1302:a.d=
20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.mb=!0,a.d!=a.Z.b[a.Z.D]&&18!=a.d&&(a.Z.b[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,OC(a)),18==a.d&&(d=ao((yq(),zq).gc.a.gb,Wg),WD(a.Z,a.Z.D,d),OC(a)),UD(a.Z))}NC(a);return!0}
function uq(a){var b,c,d;d=IC(a);c=l;if(a.Fb){var e,f,g;g=Vr([4,a.ub+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.ub;++b)QD(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(XD(g[1][0],3)+XD(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+YD(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+YD(a.fb[g[3][b]],d)}else 1<a.ub&&(a.Z=new ZD(a,a.fb,a.ub)),c=YD(a.Z,d),1<a.ub&&(a.Z=a.fb[a.e]);return c}
function $D(a,b,c,d){var e;e=c;var f=d,g,j;(g=aE(b),j=0!=(b.e&2),g||j)?(g=a.Fb?(!a.w&&(a.w=XC(a,!0)),a.w):(!a.v&&(a.v=XC(a,!1)),a.v),VD(g.a,a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.kb=!1;a.Sb=c-a.Y;a.Tb=d-(2*a.Y+a.S);a.kb=!0;a.J=l;a.gb=bE(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){e=0;for(b=1;14>=b;++b)if(c<b*(a.Y+a.S)){e=b;break}c=0;for(b=1;b<=mD+2;++b)if(d<b*(a.Y+a.S)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Mb=!0,a.kb=!0,a.J="Next ring will be added as spiro",NC(a),!0;
if(113==d)if(a.Ib)a.kb=!0,a.J="Move one atom",NC(a);else return!0;if(!a.Rb&&1201==d||!a.Cb&&107==d||!a.Ob&&201==d||!a.jb&&103==d||!a.tb&&!a.q&&105==d||!a.Fb&&109==d||214==d)return!1;e=Bq(a,d)}else{if(d>a.C.a-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)SD(a.Z,a.Z.D),a.Z.D=0,OC(a);else{if(106==a.c)return!0;if(108==a.c)cE(a.Z,a.Z.D,0),OC(a);else if(157==a.c)cE(a.Z,a.Z.D,1),OC(a);else if(158==a.c)cE(a.Z,a.Z.D,-1),OC(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=
1,Z(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.i[1]=a.Z.t,a.Z.i[0]=a.Z.D,a.Z.E=0):OC(a);else if(206<=a.c&&229>=a.c)a.O=2,dE(a.Z),OC(a);else if(230==a.c)a.O=3,OC(a);else if(233<=a.c&&262>a.c)eE(a.Z,!1),OC(a),a.O=3;else if(107==a.c){if(a.Db.b)return!0;WD(a.Z,a.Z.D,ao(a.Db.e.gc.a.gb,Wg));a.Z.k=!0;OC(a)}else if(105==a.c)fE(a.Z),OC(a);else if(113!=a.c)if(300<a.c){if(a.d!=a.Z.b[a.Z.D]||18==a.d)a.Z.b[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=ao((yq(),zq).gc.a.gb,Wg),1>d.length&&(d=Oc),WD(a.Z,a.Z.D,
d)),OC(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,dE(a.Z),OC(a);else if(0<a.Z.E)if(104==a.c)TD(a.Z,a.Z.E),a.Z.E=0,OC(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.a[d.H[c]]&&0<d.a[d.I[c]])xq(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;SD(d,c);d.a[c]=0}a.Z.E=0;OC(a)}else if(201==a.c)gE(a.Z,a.Z.E),OC(a);else if(202==a.c||205==a.c)1==a.Z.s[a.Z.E]&&0==a.Z.B[a.Z.E]?a.Z.s[a.Z.E]=2:(a.Z.s[a.Z.E]=1,a.Z.B[a.Z.E]=0),OC(a),a.Z.B[a.Z.E]=
0;else if(203==a.c)a.Z.s[a.Z.E]=2,a.Z.B[a.Z.E]=0,OC(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,OC(a);else if(206<=a.c&&229>=a.c)a.O=2,dE(a.Z),OC(a);else if(107==a.c){if(!a.Db.b)return!0;d=ao(a.Db.e.gc.a.gb,Wg);a.Z.s[a.Z.E]=9;a.Z.e[a.Z.E]=d;OC(a)}else 105==a.c?(a.kb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.ub||a.pb){if(201>=a.c)return!1;++a.ub;a.e=a.ub;a.fb[a.ub]=new WC(a);a.Z=a.fb[a.ub];a.pb=!1;202<=a.c&&204>=a.c||205==a.c?(hE(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=
1,a.Z.F=1,a.O=1,Z(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.i[0]=1,a.Z.i[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,dE(a.Z)):300<a.c?(hE(a.Z),a.Z.b[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=ao((yq(),zq).gc.a.gb,Wg),1>d.length&&(d=Oc),WD(a.Z,1,d))):230==a.c?iE(a,null,!0):233<=a.c&&262>a.c?(hE(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,eE(a.Z,!0)):BB();OC(a)}else e=!1;e&&(UD(a.Z),a.lb=!1,a.nb=!1,a.mb=!0,NC(a))}return e}
function jE(a,b,c,d){var e,f;if(a.z||!a.hb||aE(b))return!0;a.kb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Sb;f=d-a.Tb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,j,h,n,o,r,q;b.D=0;b.J[0]=e;b.M[0]=f;g=kE(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.i[b.v];n=b.i[b.v-1];j=b.J[g]-b.J[n];h=b.M[g]-b.M[n];g=Math.sqrt(j*j+h*h);1>g&&(g=1);h/=g;j/=g;o=g/2/Math.tan(0.5235987755982988);r=e-b.J[n];q=f-b.M[n];n=-g/2+r*j+
q*h;h=q*j-r*h;if(0>n)if(1<b.v)SD(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.i[0]]&&(o=b.G[b.i[0]][1],o==b.i[1]&&(o=b.G[b.i[0]][2]),j=b.J[b.i[0]]-b.J[o],h=b.M[b.i[0]]-b.M[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,r=e-b.J[o],q=f-b.M[o],e=q*j-r*h,r=b.J[b.i[1]]-b.J[o],q=b.M[b.i[1]]-b.M[o],f=q*j-
r*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.i[0],Z(b,0),TD(b,e),0<kE(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;n<1.5*g&&(e=(1.5*g-n)*o/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){xq(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;Z(b,N(M(Math.round(h))));b.i[b.v]=b.t;0<kE(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;xq(b.n,e+l)}else j=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(j/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(113==a.c&&0<a.Z.D)a.ib||(a.ib=
!0),b=a.Z,0<b.D&&(e=b.D,b.J[e]=c,b.M[e]=d);else if(bE(b)||aE(b))LC(a.Z,e),a.O=5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=y(RC,m,-1,4,1);SC(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.b-b.n.Y&&0<h&&h<b.n.C.a-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;MC(a);a.mb=!0;NC(a);a.Sb=c;a.Tb=d;return!0}
function lE(a,b,c,d){var e,f,g;if(!(a.z&&null==a.rb||aE(b))){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.ub;++b){e=a.fb[b];for(var j=c,h=d,n=void 0,o=void 0,r=void 0,q=void 0,u=void 0,n=void 0,r=0,u=((pC(),xC)?350:170)+1,q=1;q<=e.u;++q)n=j-e.K[q],o=h-e.N[q],n=n*n+o*o,n<u&&(u=n,r=q);r*=-1;for(q=1;q<=e.t;++q)n=j-e.J[q],o=h-e.M[q],n=n*n+o*o,n<u&&(u=n,r=q);e=r;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;mE(a,a.fb[b].D);113==a.c&&0>e&&(g=!1,a.fb[b].E=0);break a}else if(mE(a,0),0<a.fb[b].D||0<a.fb[b].E)a.fb[b].D=
0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.ub;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;MC(a);a.mb=!0;NC(a)}!a.z&&0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}}
function nE(a){if(a.z)return!0;a.ib&&(a.ib=!1,OC(a));a.kb=!1;a.P=gh;if(1==a.O){if(205==a.c){var b=a.Z,c,d;b.C&&(c=kE(b,b.t),6>b.z[c]&&(oE(b),d=b.i[b.v-1],b.H[b.u]=c,b.I[b.u]=d,b.G[c][++b.z[c]]=d,b.G[d][++b.z[d]]=c),SD(b,b.t));b.C=!1;OC(a)}else a:{var b=a.Z,e,f;c=kE(b,b.t);if(0!=c){--b.t;for(f=1;f<b.u;++f)if(d=b.H[f],e=b.I[f],d==c&&e==b.F||d==b.F&&e==c){--b.u;--b.z[b.F];3>b.s[f]?(++b.s[f],b.B[f]=0):xq(b.n,"Maximum allowed bond order is 3 !");break a}6==b.z[c]?(--b.u,--b.z[b.F],xq(b.n,"Not possible connection !")):
(b.I[b.u]=c,b.G[c][++b.z[c]]=b.F,b.G[b.F][b.z[b.F]]=c,b.K[b.u]=N(M(oD((b.J[b.F]+b.J[c])/2))),b.N[b.u]=N(M(oD((b.M[b.F]+b.M[c])/2))))}}UC(a.Z);a.r&&(b=a.$,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,HD(b),b.a.c=c),OC(a),a.r=!1)}else 5==a.O&&(UC(a.Z),OC(a));0<a.O&&(a.D=!1,MC(a),a.mb=!0,UD(a.Z),pE(a.Z),NC(a),a.O=0,a.f=!1);if(xC&&(0!=a.Z.E||0!=a.Z.D))a.Z.E=0,a.Z.D=0,MC(a),a.mb=!0,NC(a);return!0}function MC(a){a.lb=!1;a.nb=!1;a.mb=!1}
function mE(a,b){if(null!=a.rb&&!(0>=b&&0==a.Bb||b==a.Bb&&a.e==a.Ab))0>=b&&0<a.Bb&&(b=0),a.Bb=b,a.Ab=a.e,lC(a.rb,H(qE,m,81,[new S(a.e),new S(b)]))}
function rE(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Eb=!1:-1<b.indexOf("rbutton")&&(a.Eb=!0);-1<b.indexOf("nohydrogens")?a.Kb=!1:-1<b.indexOf("hydrogens")&&(a.Kb=!0);-1<b.indexOf("keephs")&&(a.N=!0);-1<b.indexOf("removehs")&&(a.N=!1);-1<b.indexOf("noquery")?a.Cb=!1:-1<b.indexOf("query")&&(a.Cb=!0);-1<b.indexOf(Df)?a.Fb=!1:-1<b.indexOf(cg)&&(a.Fb=!0);-1<b.indexOf("noautoez")?a.p=!1:-1<b.indexOf("autoez")&&(a.p=!0);-1<b.indexOf("nostereo")?a.Ob=!1:-1<b.indexOf("stereo")&&(a.Ob=!0);
-1<b.indexOf("nocanonize")?a.s=!1:-1<b.indexOf("canonize")&&(a.s=!0);-1<b.indexOf("nomultipart")?a.jb=!1:-1<b.indexOf(yf)&&(a.jb=!0);-1<b.indexOf("nonumber")?(a.tb=!1,a.q=!1):-1<b.indexOf(Hf)&&(a.tb=!0,a.q=!1);-1<b.indexOf("newlook")?(a.ob=!0,a.S=1):-1<b.indexOf("oldlook")&&(a.ob=!1,a.S=0);-1<b.indexOf("autonumber")&&(a.q=!0,a.tb=!0);-1<b.indexOf("star")&&(a.Nb=!0,a.tb=!0);-1<b.indexOf("nostar")&&(a.Nb=!1,a.tb=!1);-1<b.indexOf("polarnitro")&&(a.yb=!0);-1<b.indexOf("nopolarnitro")&&(a.yb=!1);-1<b.indexOf("depict")&&
(a.z=!0,a.Y=0,a.cb=null,QC(a,1,a.ub,0));if(-1<b.indexOf("nodepict")){a.z=!1;for(d=1;d<=a.ub;++d)sE(a.fb[d]),TC(a.fb[d]);a.B=1;a.Y=24;a.Z&&(a.Z.w=!0)}-1<b.indexOf("xbutton")&&(a.Rb=!0);-1<b.indexOf("noxbutton")&&(a.Rb=!1);d=a.vb;-1<b.indexOf("nopaste")?a.vb=!1:-1<b.indexOf(Sf)&&(a.vb=!0);d!=a.vb&&(a.v=null,a.w=null);-1<b.indexOf(nd)&&(a.A=!0);-1<b.indexOf("noborder")&&(a.A=!1);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.qb=!0);-1<b.indexOf("jmeh")&&
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3,a.p=!1,c=2;else if(249==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.s[a.u]=2,a.b[a.t]=5,c=2;else if(250==a.n.c)Z(a,0),a.s[a.u]=2,a.b[a.t]=5,c=1;else if(245==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.D=a.t,a.s[a.u]=3,Z(a,0),a.p=!1,c=3;else if(242==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.s[a.u]=3,a.b[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)Z(a,0),a.b[a.t]=9,c=1;else if(255==a.n.c)Z(a,0),a.b[a.t]=10,c=1;else if(256==a.n.c)Z(a,0),a.b[a.t]=11,c=1;else if(257==a.n.c)Z(a,0),a.b[a.t]=12,c=1;else if(258==a.n.c)Z(a,0),a.b[a.t]=4,
c=1;else if(259==a.n.c)Z(a,0),a.b[a.t]=5,c=1;else if(246==a.n.c)Z(a,0),a.D=a.t,Z(a,0),c=2;else if(247==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),c=3;else if(248==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),c=4;else if(253==a.n.c){var d,e,f,g,j,h,n,o,r,q,u;if(a.n.Pb){c=0;o=a.n.Pb;for(n=1;n<=o.y;++n)d=o.q[n][0],1==o.q[n][1]&&(c=d);d=a.t;n=a.D;Z(a,0);e=a.J[a.t];g=a.M[a.t];SD(a,a.t);e=a.J[n]-e;g=a.M[n]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=o.t;++h)hE(a),a.b[a.t]=o.b[h],a.A[a.t]=o.A[h],
a.x[a.t]=o.x[h],a.J[a.t]=o.J[h],a.M[a.t]=o.M[h];for(h=1;h<=o.u;++h)oE(a),a.H[a.u]=o.H[h]+d,a.I[a.u]=o.I[h]+d,a.s[a.u]=o.s[h];RD(a);a.D=c+d;Z(a,0);o=a.J[a.t];q=a.M[a.t];SD(a,a.t);f=a.J[c+d]-o;j=a.M[c+d]-q;h=Math.sqrt(f*f+j*j);j/=h;f/=h;for(h=d+1;h<=a.t;++h)a.J[h]-=o,a.M[h]-=q,r=a.J[h]*f+a.M[h]*j,u=a.M[h]*f-a.J[h]*j,a.J[h]=r,a.M[h]=u,r=-a.J[h]*e+a.M[h]*g,u=-a.M[h]*e-a.J[h]*g,a.J[h]=r,a.M[h]=u,a.J[h]+=a.J[n],a.M[h]+=a.M[n];oE(a);a.H[a.u]=n;a.I[a.u]=c+d;RD(a);b&&(SD(a,n),TC(a))}c=4}EG(a,c);a.D=a.F;b&&
(a.D=0)}
function DG(a,b,c,d){var e,f,g,j,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];j=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*j?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*j):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*j)?(g=a.J[b]-a.J[e],j=a.M[b]-a.M[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.J[e]+h*g-c*j,d[1]=a.M[e]+c*g+h*j):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,j=a.M[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.J[b]+
c*g/h,d[1]=a.M[b]+c*j/h)}
function dE(a){var b,c,d,e,f,g,j,h,n,o,r,q,u;n=-1;j=6;switch(a.n.c){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;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])FG(a,j,f,h);else if(!a.n.gb&&!a.n.Mb)n=a.D,Z(a,0),a.D=a.t,FG(a,j,f,h);else{a.n.Mb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){xq(a.n,"ERROR - cannot add aromatic spiro ring !");a.n.O=9;
return}for(d=1;d<=a.z[a.D];++d)if(b=a.s[CG(a,a.D,a.G[a.D][d])],2<d||1!=b){xq(a.n,"ERROR - spiro ring not possible here !");a.n.O=9;return}b=y(RC,m,-1,2,1);DG(a,a.D,h,b);e=a.J[a.D]-b[0];g=a.M[a.D]-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)hE(a),r=f*d+1.5707963267948966,a.J[a.t]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.M[a.t]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*g)}else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!=
b?d=a.G[c][1]:d=a.G[c][2],o=b,b=c,c=o);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;r=o/2;u=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(u=-u,o=0);q=a.J[b]+r*e-u*g;u=a.M[b]+u*e+r*g;for(d=1;d<=j;++d)hE(a),r=f*(d+0.5)+3.141592653589793*o,a.J[a.t]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.M[a.t]=u+h*(Math.cos(r)*e+Math.sin(r)*g),1==o?(d==j&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==j-1&&(a.J[a.t]=
a.J[c],a.M[a.t]=a.M[c])):(d==j-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==j&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)hE(a),r=f*(d-b),a.J[a.t]=a.L+h*Math.sin(r),a.M[a.t]=a.O+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)oE(a),a.s[a.u]=1,h=a.t-b+f,a.z[h]=2,a.H[a.u]=h,a.I[a.u]=h+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],h=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&&
(b=a.G[a.I[a.E]][1],h=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==h||a.H[f]==h&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(h=a.G[a.H[a.E]][f],1<a.s[CG(a,a.H[a.E],h)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(h=a.G[a.I[a.E]][f],
1<a.s[CG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.b[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.b[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.b[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.b[a.t-2]=5);h=y(I,s,-1,a.t+1,1);for(f=1;f<=j;++f)b=a.t-j+f,c=a.u-j+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=N(M(oD((a.J[b]+a.J[e])/2))),a.N[c]=N(M(oD((a.M[b]+a.M[e])/
2)));a.G[a.t-j+1][1]=a.t;a.G[a.t][2]=a.t-j+1;for(f=a.t-j+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-j;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;oE(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=N(M(oD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/
2)));a.N[a.u]=N(M(oD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(oE(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=N(M(oD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=N(M(oD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(oE(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=N(M(oD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=N(M(oD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-j;for(f=a.t;f>d;--f)if(0<
h[f]&&(SD(a,f),3==a.b[h[f]])){o=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(o+=a.s[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.s[c]=1}0<a.D&&EG(a,j);-1<n&&(a.D=n)}
function FG(a,b,c,d){var e,f,g,j,h,n;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;n=a.M[a.D]+d*e;for(g=1;g<=b;++g)hE(a),j=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.M[a.t]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function EG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=kE(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)}
function CG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function GG(a,b,c){var d,e,f,g;e=gh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Ys(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Ys(c[d])&&!zs(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)Ss(c[d],e)&&(b[d]=g,c[d]=gh,++f);if(f==a.t)break}return g==a.t}
function TC(a){var b,c,d;b=y(RC,m,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.b&&(c=a.n.C.b-a.n.Y,d=a.n.C.a-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{SC(a,b);c=~~(c/2)-N(M(Math.round(b[0])));d=~~(d/2)-N(M(Math.round(b[1])));if(!a.n.qb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;UC(a)}}
function SC(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
function cE(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=HG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.b[b]){case 2:2<d&&xq(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?xq(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?xq(a.n,"Charge change not possible on multibonded N or P !"):
3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?xq(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:xq(a.n,"Charge change not possible on the halogen !");break;case 18:xq(a.n,
"Use X button to change charge on the X atom !")}}
function ED(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=y(I,s,-1,a.t+1,1);;){for(e=1;e<=a.t;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=y(I,s,-1,f+1,1);for(c=1;c<=a.t;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.t;1<=c;--c)a.a[c]!=d&&SD(a,c);TC(a);xq(a.n,"Smaller part(s) removed !");return 1}
function kE(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
function pE(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.n.yb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.A[b]=0;a.A[c]=0;++a.s[d];UD(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),UD(a));4==a.s[d]&&(a.s[d]=1)}}
function BG(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 RD(a){var b;IG(a);b=a.s.length;a.K=y(I,s,-1,b,1);a.N=y(I,s,-1,b,1);UC(a);UD(a)}
function hE(a){var b,c;++a.t;a.t>a.b.length-1&&(c=a.b.length+10,b=y(I,s,-1,c,1),VF(a.b,b,a.b.length),a.b=b,b=y(I,s,-1,c,1),VF(a.A,b,a.A.length),a.A=b,b=y(I,s,-1,c,1),VF(a.x,b,a.x.length),a.x=b,b=y(I,s,-1,c,1),VF(a.d,b,a.d.length),a.d=b,b=y(fs,m,1,c,0),VF(a.c,b,a.c.length),a.c=b,b=y(fs,m,1,c,0),VF(a.o,b,a.o.length),a.o=b,b=y(RC,m,-1,c,1),VF(a.J,b,a.J.length),a.J=b,b=y(RC,m,-1,c,1),VF(a.M,b,a.M.length),a.M=b,b=Vr([c,7]),VF(a.G,b,a.G.length),a.G=b,c=y(I,s,-1,c,1),VF(a.z,c,a.z.length),a.z=c);a.b[a.t]=
3;a.A[a.t]=0;a.d[a.t]=0;a.c[a.t]=null;a.x[a.t]=0}function uD(a,b,c,d,e,f,g){var j;j=N(M(oD(a.J[c]-d/2)));g||(j-=e-d);a=N(M(oD(a.M[c]-~~(f/2))));return new Ly(j-1-b,a-b,e+1+2*b,f+2*b)}
function oE(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=y(I,s,-1,b,1),VF(a.H,c,a.H.length),a.H=c,c=y(I,s,-1,b,1),VF(a.I,c,a.I.length),a.I=c,c=y(I,s,-1,b,1),VF(a.s,c,a.s.length),a.s=c,c=y(I,s,-1,b,1),VF(a.B,c,a.B.length),a.B=c,c=y(I,s,-1,b,1),VF(a.K,c,a.K.length),a.K=c,c=y(I,s,-1,b,1),VF(a.N,c,a.N.length),a.N=c,b=y(fs,m,1,b,0),VF(a.e,b,a.e.length),a.e=b);a.s[a.u]=1;a.B[a.u]=0;a.e[a.u]=null}
function YD(a,b){var c,d,e,f,g,j,h;if(0==a.t)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(pC(),aa);j+="JME 2013-10-12 "+new iG+"\n \n";j+=XD(a.t,3)+XD(a.u,3);j+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){j+=uE(0.055999999999999994*(a.J[e]-c),10,4)+uE(0.055999999999999994*(g-a.M[e]),10,4)+uE(0,10,4);h=tD(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
j+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+XD(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?h+=XD(f,3):h+=" 0";j+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:JG(a,e)&&(g=2),c=XD(a.H[e],3)+XD(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=XD(a.I[e],3)+XD(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=XD(a.I[e],3)+XD(a.H[e],3)),j+=c+XD(g,3)+XD(d,3)+" 0 0 0\n";
for(e=1;e<=a.t;++e)0!=a.A[e]&&(j+="M CHG 1"+XD(e,4)+XD(a.A[e],4)+aa);return j+"M END\n"}
function wE(a){var b,c,d,e,f,g,j,h,n,o,r,q,u,v,D,E,J,Q,tb,V,L,da,Dc,bg,yb,Ld,Md,Nd,ob,Ec;r=y(I,s,-1,a.t+10,1);q=y(I,s,-1,a.t+10,1);n=y(I,s,-1,a.t+1,1);o=y(I,s,-1,7,1);yb=y(I,s,-1,a.t+1,1);v=y(KG,m,-1,a.t+1,2);D=y(KG,m,-1,a.u+1,2);da=0;if(0==a.t)return l;ED(a,!0);bg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){bg=!1;break}if(a.n.s&&bg){LG(a);pE(a);MG(a,D);NG(a,v,D);var Eb,pd,ef,ac,ve,qd,rd,fb,IH,Sd,w,ya,Dm,Em,Ds,lf,Na,Fm,Gm,Hc,Hm;Eb=y(I,s,-1,a.t+1,1);pd=y(I,s,-1,a.t+1,1);fb=y(OG,m,-1,a.t+1,3);var Es=a.t,Im,
oh,Fs,ng,Aj,De,mf;Aj=y(OG,m,-1,Es+2,3);De=y(I,s,-1,100,1);mf=5;ng=0;De[0]=3;Aj[1]=ih;Aj[2]=jh;Fs=2;if(!(3>Es))for(;mf<De[ng]*De[ng];){oh=0;for(Im=!0;Im&&oh<=ng&&mf>=De[oh]*De[oh];)0==mf%De[oh]?Im=!1:++oh;if(Im){Aj[++Fs]=Vs(mf);if(Fs>=Es)break;ng<De.length-1&&(++ng,De[ng]=mf)}mf+=2}for(w=1;w<=a.t;++w){for(ya=Gm=1;ya<=a.u;++ya)(a.H[ya]==w||a.I[ya]==w)&&(Gm*=a.f[ya]);Fm=a.b[w];18==Fm&&(Hm=a.o[w],qd=Hm.charCodeAt(0)-65+1,rd=0,1<Hm.length&&(rd=Hm.charCodeAt(1)-97),0>qd&&(qd=0),0>rd&&(rd=0),Fm=28*qd+rd);
lf=0;-2>a.A[w]?lf=1:-2==a.A[w]?lf=2:-1==a.A[w]?lf=3:1==a.A[w]?lf=4:2==a.A[w]?lf=5:2<a.A[w]&&(lf=6);Hc=1;fb[w]=Vs(Gm);Hc*=126;fb[w]=Qs(fb[w],Vs(a.x[w]*Hc));Hc*=7;fb[w]=Qs(fb[w],Vs(lf*Hc));Hc*=7;fb[w]=Qs(fb[w],Vs(Fm*Hc));Hc*=783;fb[w]=Qs(fb[w],Vs(a.z[w]*Hc))}for(ve=0;!GG(a,Eb,fb);){Ds=!1;for(w=1;w<=a.t;++w)Eb[w]!=pd[w]&&(pd[w]=Eb[w],Ds=!0);if(Ds){for(w=1;w<=a.t;++w){fb[w]=hh;for(ya=1;ya<=a.z[w];++ya)fb[w]=Zs(fb[w],Aj[Eb[a.G[w][ya]]])}ve=0}else if(0<ve){for(w=1;w<=a.t;++w)fb[w]=hh;w=1;a:for(;w<=a.t-
1;++w)for(ya=w+1;ya<=a.t;++ya)if(Eb[w]==Eb[ya]){fb[w]=ih;break a}}else{for(w=1;w<=a.t;++w){fb[w]=hh;for(ya=1;ya<=a.z[w];++ya)ef=a.G[w][ya],fb[w]=Zs(fb[w],Vs(a.b[ef]*a.f[CG(a,w,ef)]))}ve=1}GG(a,Eb,fb);for(w=1;w<=a.t;++w)fb[w]=Vs(pd[w]*a.t+Eb[w])}for(w=1;w<=a.t;++w)pd[w]=Eb[w];for(Na=1;Na<=a.t;++Na)for(w=1;w<=a.t;++w)if(pd[w]==Na){a.b[0]=a.b[w];a.A[0]=a.A[w];a.J[0]=a.J[w];a.M[0]=a.M[w];a.z[0]=a.z[w];a.b[w]=a.b[Na];a.A[w]=a.A[Na];a.J[w]=a.J[Na];a.M[w]=a.M[Na];a.z[w]=a.z[Na];a.b[Na]=a.b[0];a.A[Na]=a.A[0];
a.J[Na]=a.J[0];a.M[Na]=a.M[0];a.z[Na]=a.z[0];pd[w]=pd[Na];pd[Na]=Na;a.o[0]=a.o[w];a.o[w]=a.o[Na];a.o[Na]=a.o[0];a.d[0]=a.d[w];a.d[w]=a.d[Na];a.d[Na]=a.d[0];a.c[0]=a.c[w];a.c[w]=a.c[Na];a.c[Na]=a.c[0];a.x[0]=a.x[w];a.x[w]=a.x[Na];a.x[Na]=a.x[0];break}for(w=1;w<=a.y;++w)a.q[w][0]=Eb[a.q[w][0]];for(w=1;w<=a.u;++w)a.H[w]=Eb[a.H[w]],a.I[w]=Eb[a.I[w]],a.H[w]>a.I[w]&&(Sd=a.H[w],a.H[w]=a.I[w],a.I[w]=Sd,1==a.B[w]?a.B[w]=3:2==a.B[w]?a.B[w]=4:3==a.B[w]?a.B[w]=1:4==a.B[w]&&(a.B[w]=2));for(w=1;w<a.u;++w){Em=Dm=
a.t;ac=0;for(ya=w;ya<=a.u;++ya)a.H[ya]<Dm?(Dm=a.H[ya],Em=a.I[ya],ac=ya):a.H[ya]==Dm&&a.I[ya]<Em&&(Em=a.I[ya],ac=ya);Sd=a.H[w];a.H[w]=a.H[ac];a.H[ac]=Sd;Sd=a.I[w];a.I[w]=a.I[ac];a.I[ac]=Sd;Sd=a.s[w];a.s[w]=a.s[ac];a.s[ac]=Sd;Sd=a.B[w];a.B[w]=a.B[ac];a.B[ac]=Sd;IH=a.e[w];a.e[w]=a.e[ac];a.e[ac]=IH}RD(a);UD(a);MG(a,D);NG(a,v,D)}else{MG(a,D);a.f=y(I,s,-1,a.u+1,1);for(u=1;u<=a.u;++u)a.f[u]=a.s[u]}c=1;a.a=y(I,s,-1,a.t+1,1);Ec=1;a.a[1]=1;for(V=0;;){L=0;for(u=1;u<=a.z[c];++u)if(g=a.G[c][u],0<a.a[g]){if(!(a.a[g]>
a.a[c])&&g!=yb[c]){Dc=!0;for(J=1;J<=da;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Dc=!1;break}Dc&&(++da,r[da]=c,q[da]=g)}}else o[++L]=g;if(0==L){if(Ec==a.t)break;c=n[V--]}else if(1==L)yb[o[1]]=c,c=o[1],a.a[c]=++Ec;else{n[++V]=c;e=0;for(u=1;u<=L;++u)if(h=CG(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=L;++u)if(h=CG(a,o[u],c),2==a.f[h]||3==a.f[h]){e=o[u];break}0==e&&(e=o[1]);yb[e]=c;c=e;a.a[e]=++Ec}}yb=y(I,s,-1,a.t+1,1);b=y(I,s,-1,a.t+1,1);Q=y(KG,m,-1,a.t+1,2);Ld=y(KG,m,-1,a.t+1,2);f=Ec=V=0;for(u=
1;u<=a.t;++u)if(1==a.a[u]){c=u;break}a:for(;;){0<f&&(yb[c]=f);b[++Ec]=c;for(a.a[c]=0;;){L=e=0;tb=a.t+1;u=1;b:for(;u<=a.z[c];++u){g=a.G[c][u];for(E=1;E<=da;++E)if(r[E]==g&&q[E]==c||r[E]==c&&q[E]==g)continue b;0<a.a[g]&&(++L,a.a[g]<tb&&(e=g,tb=a.a[g]))}if(0==e){if(0==V)break a;Ld[c]=!0;c=n[V--]}else break}f=c;c=e;1<L&&(n[++V]=f,Q[e]=!0)}Md=y(I,s,-1,a.u+1,1);Nd=y(I,s,-1,a.t+1,1);if(a.n.Ob){var KH=yb,LL=da,Gs,LH,ph,Ee,Hs,Is,Ma,Bj,Js;ph=y(I,s,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)ph[b[Ma]]=Ma;Hs=y(KG,m,-1,
a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)Gs=b[Ma],LH=KH[Gs],Ee=CG(a,Gs,LH),0!=Ee&&(PG(a,Ee,ph,Md,D),Hs[Ee]=!0);for(Ma=1;Ma<=a.u;++Ma)Hs[Ma]||PG(a,Ma,ph,Md,D);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){Is=Js=0;for(Bj=1;Bj<=a.z[Ma];++Bj){Ee=CG(a,Ma,a.G[Ma][Bj]);if(5==a.f[Ee])continue a;1==a.s[Ee]&&0!=QG(a,Ee,Ma)&&++Js;2==a.s[Ee]&&(Is=a.G[Ma][Bj])}if(0!=Js)if(0<Is){var ia=a,NH=Ma,nf=ph,Uc=Nd,kc=void 0,Cj=void 0,Ic=void 0,Fe=void 0,Jc=void 0,Jm=void 0,Km=void 0,Lm=void 0,Td=void 0,Vc=void 0,Wc=void 0,
Ks=void 0,Dj=void 0,Ud=void 0,Ej=void 0,Ge=void 0,Fj=void 0,Ls=void 0,Gj=void 0,He=void 0,OH=void 0,of=void 0,PH=void 0,Ms=void 0,Hj=void 0,pf=void 0,Wc=1,Cj=NH,kc=y(I,s,-1,ia.t+1,1);for(kc[1]=NH;;){Ks=!1;for(Vc=1;Vc<=ia.z[Cj];++Vc)if(Ic=ia.G[Cj][Vc],!(Ic==kc[1]||Ic==kc[Wc-1]))if(Fe=CG(ia,Cj,Ic),2==ia.s[Fe]&&5!=ia.f[Fe]){Cj=kc[++Wc]=Ic;Ks=!0;break}if(!Ks)break}if(!(0==Wc%2||2>ia.z[kc[Wc]]||3<ia.z[kc[Wc]])){pf=kc[1];Jc=kc[~~((Wc+1)/2)];Td=kc[Wc];of=He=Ge=Ud=0;Ms=Ls=!1;for(Vc=1;Vc<=ia.z[pf];++Vc)Ic=
ia.G[pf][Vc],Fe=CG(ia,pf,Ic),1!=ia.s[Fe]||5==ia.f[Fe]||(0==Ud?Ud=Ic:Ge=Ic);0<nf[Ge]&&nf[Ud]>nf[Ge]&&(Jm=Ud,Ud=Ge,Ge=Jm);Dj=Ud;0==Ud&&(Dj=Ge,Ls=!0);for(Vc=1;Vc<=ia.z[Td];++Vc)Ic=ia.G[Td][Vc],Fe=CG(ia,Td,Ic),1!=ia.s[Fe]||5==ia.f[Fe]||(0==He?He=Ic:of=Ic);0<nf[of]&&nf[He]>nf[of]&&(Jm=He,He=of,of=Jm);Gj=He;0==He&&(Gj=of,Ms=!0);Ej=QG(ia,CG(ia,pf,Ud),pf);Fj=QG(ia,CG(ia,pf,Ge),pf);OH=QG(ia,CG(ia,Td,He),Td);PH=QG(ia,CG(ia,Td,of),Td);1<(0>Ej+Fj?-(Ej+Fj):Ej+Fj)||0!=OH||0!=PH?xq(ia.n,"Bad stereoinfo on allene !"):
(Km=ia.J[kc[Wc-1]]-ia.J[Td],Lm=ia.M[kc[Wc-1]]-ia.M[Td],Hj=Math.sqrt(Km*Km+Lm*Lm),0.001>Hj&&(Hj=0.001),0<(ia.M[Gj]-ia.M[kc[Wc-1]])*(Km/Hj)-(ia.J[Gj]-ia.J[kc[Wc-1]])*(Lm/Hj)?Uc[Jc]=1:Uc[Jc]=-1,Ls&&(Uc[Jc]*=-1),Ms&&(Uc[Jc]*=-1),Dj==Ud&&0>Ej&&(Uc[Jc]*=-1),Dj==Ge&&0>Fj&&(Uc[Jc]*=-1),nf[Dj]>nf[Gj]&&(Uc[Jc]*=-1))}}else b:{var lc=a,mc=Ma,ML=KH,NL=ph,OL=r,PL=q,QL=LL,Mm=Nd,Nm=void 0,Xc=void 0,Ns=void 0,qh=void 0,Ba=void 0,rh=void 0,td=void 0,Ij=void 0,Vd=void 0,Pb=void 0,ga=void 0,Gb=void 0,Ie=void 0,Om=void 0,
Yc=void 0,pa=void 0,Pm=void 0,Gb=y(I,s,-1,4,1),Om=y(I,s,-1,4,1),sh=lc,Wd=mc,QH=NL,Os=ML,RH=OL,SH=PL,RL=QL,Hb=Gb,Jj=void 0,Zc=void 0,Qm=void 0,Rm=void 0,Ps=void 0,Kj=void 0,Kj=-1;0<Os[Wd]&&(Hb[++Kj]=Os[Wd]);for(Zc=1;Zc<=RL;++Zc)RH[Zc]==Wd&&(Hb[++Kj]=SH[Zc]),SH[Zc]==Wd&&(Hb[++Kj]=RH[Zc]);for(Zc=Kj+1;Zc<sh.z[Wd];++Zc){Ps=sh.t+1;Qm=1;c:for(;Qm<=sh.z[Wd];++Qm){Jj=sh.G[Wd][Qm];for(Rm=0;Rm<Zc;++Rm)if(Jj==Hb[Rm])continue c;QH[Jj]<Ps&&(Ps=QH[Jj],Hb[Zc]=Jj)}}0==Os[Wd]&&0<sh.x[Wd]?(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=
Hb[0],Hb[0]=-1):0<sh.x[Wd]&&(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=-1);for(Ba=Ij=rh=qh=Pm=td=Pb=0;4>Ba;++Ba)0>=Gb[Ba]||(Nm=CG(lc,mc,Gb[Ba]),Om[Ba]=QG(lc,Nm,mc),0<Om[Ba]?(++Pb,Pm=Gb[Ba],rh=Gb[Ba]):0>Om[Ba]?(++td,qh=Gb[Ba],rh=Gb[Ba]):Ij=Gb[Ba]);Vd=Pb+td;pa=y(I,s,-1,4,1);Yc=0;if(3==lc.z[mc]){if(1==Pb&&1==td||3==Vd&&0<Pb&&0<td){xq(lc.n,"Error in C3H stereospecification !");break b}Ie=Gb[0];1==Vd?Ie=rh:2==Vd&&(Ie=Ij);ga=AG(lc,mc,Ie,Gb);pa[0]=rh;pa[1]=-1;pa[2]=ga[2];pa[3]=ga[1];0<Pb?Yc=1:Yc=-1}else if(4==lc.z[mc])if(1==
Vd)ga=AG(lc,mc,rh,Gb),pa[0]=ga[0],pa[1]=ga[3],pa[2]=ga[2],pa[3]=ga[1],0<Pb?Yc=1:Yc=-1;else{Ie=Gb[0];1<Ij&&(Ie=Ij);1==Pb?Ie=Pm:1==td&&(Ie=qh);ga=AG(lc,mc,Ie,Gb);Xc=y(I,s,-1,4,1);for(Ba=0;4>Ba;++Ba)Nm=CG(lc,mc,ga[Ba]),Xc[Ba]=QG(lc,Nm,mc);if(4==Vd){if(0==Pb||0==td){xq(lc.n,"Error in C4 stereospecification !");break b}if(1==Pb||1==td)pa[0]=ga[0],pa[1]=ga[3],pa[2]=ga[2],pa[3]=ga[1],Yc=Xc[0];else{for(Ba=0;4>Ba;++Ba)-1==Xc[Ba]&&(Xc[Ba]=0);Vd=2}}else if(3==Vd)if(3==Pb||3==td)pa[0]=ga[0],pa[1]=ga[3],pa[2]=
ga[2],pa[3]=ga[1],0<Pb?Yc=-1:Yc=1;else{1==Pb?Pb=Ns=1:td=Ns=-1;for(Ba=0;4>Ba;++Ba)Xc[Ba]==Ns&&(Xc[Ba]=0);Vd=2}if(2==Vd)if(1==Pb&&1==td)ga[1]==qh?(ga[1]=ga[2],ga[2]=ga[3]):ga[2]==qh&&(ga[2]=ga[3]),pa[0]=Pm,pa[1]=qh,pa[2]=ga[2],pa[3]=ga[1],Yc=1;else{if(Xc[0]==Xc[1]||Xc[1]==Xc[2]){xq(lc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Xc[0]?(pa[0]=ga[0],pa[1]=ga[2],pa[2]=ga[1],pa[3]=ga[3]):(pa[0]=ga[1],pa[1]=ga[3],pa[2]=ga[2],pa[3]=ga[0]);1<Pb?Yc=1:Yc=-1}}var W=pa,Lj=Gb,qb=void 0;Lj[0]==W[1]?(qb=
W[0],W[0]=W[1],W[1]=qb,qb=W[2],W[2]=W[3],W[3]=qb):Lj[0]==W[2]?(qb=W[2],W[2]=W[0],W[0]=qb,qb=W[1],W[1]=W[3],W[3]=qb):Lj[0]==W[3]&&(qb=W[3],W[3]=W[0],W[0]=qb,qb=W[1],W[1]=W[2],W[2]=qb);Lj[1]==W[2]?(qb=W[1],W[1]=W[2],W[2]=qb,qb=W[2],W[2]=W[3],W[3]=qb):Lj[1]==W[3]&&(qb=W[1],W[1]=W[3],W[3]=qb,qb=W[2],W[2]=W[3],W[3]=qb);pa[2]==Gb[2]?Mm[mc]=1:pa[2]==Gb[3]?Mm[mc]=-1:xq(lc.n,"Error in stereoprocessing ! - t30");Mm[mc]*=Yc}}}ob=new UF;j=y(I,s,-1,a.t+1,1);for(u=1;u<=a.t;++u)j[b[u]]=u;for(u=1;u<=a.t;++u){c=b[u];
Q[c]&&kn(ob.a,ua);0<yb[u]&&RG(a,c,yb[c],ob,Md);var th=v[c],Ib=void 0,Mj=void 0,uh=void 0,T=void 0,T=Oc,Ib=!1;0!=a.A[c]&&(Ib=!0);0!=Nd[c]&&(Ib=!0);uh=-1;for(Mj=1;Mj<=a.y;++Mj)if(a.q[Mj][0]==c){uh=a.q[Mj][1];break}-1<uh&&(Ib=!0);a.n.Nb&&0<a.d[c]&&(Ib=!0,uh=1);switch(a.b[c]){case 2:T=zb;break;case 3:th?T="c":T=Cb;break;case 4:th?(T=zf,0<a.x[c]&&(Ib=!0)):T=ec;break;case 5:th?T="o":T=oc;break;case 7:th?(T="p",0<a.x[c]&&(Ib=!0)):T=qc;break;case 8:th?T=lg:T=Bc;break;case 13:th?T=pg:T=Fc;Ib=!0;break;case 6:T=
Gc;Ib=!0;break;case 9:T=Qb;break;case 10:T=Kb;break;case 11:T=Bb;break;case 12:T=Wb;break;case 1:T=Ub;Ib=!0;break;case 19:T=rc;Ib=!0;break;case 20:T=sc;Ib=!0;break;case 21:T=tc;Ib=!0;break;case 22:T=uc;Ib=!0;break;case 18:Ib=!0,T=a.o[c],(G(T,wa)||G(T,ad)||G(T,ub))&&(Ib=!1)}Ib&&(T=Pc+T,1==Nd[c]?T+=sb:-1==Nd[c]&&(T+="@@"),1==a.x[c]?T+=Ub:1<a.x[c]&&(T+=Ub+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=xa:T+=Ca,1<Sj(a.A[c])&&(T+=Sj(a.A[c]))),-1<uh&&(T+=jb+uh),T+=Sc);kn(ob.a,T);for(E=1;E<=da;++E)if(r[E]==c||q[E]==c)d=
q[E],d==c&&(d=r[E]),j[c]<j[d]&&RG(a,r[E],q[E],ob,Md),9<E&&kn(ob.a,"%"),ln(ob,l+(new S(E)).a);Ld[c]&&kn(ob.a,va)}return Zn(ob.a)}function vE(a){a=new EC(a);RD(a);return a}
function SD(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.e[f]=a.e[e]);a.u=f;for(e=b;e<a.t;++e){a.b[e]=a.b[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)VC(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f],
c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}}
function TD(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.e[e]=a.e[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&SD(a,c);0==a.z[d]&&SD(a,d)}
function LG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.b[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=CG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Ob)&&SD(a,c)}}}function IG(a){var b;b=a.b.length;a.G=Vr([b,7]);a.z=y(I,s,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])}
function NG(a,b,c){var d,e,f,g,j,h,n,o,r;a.f=y(I,s,-1,a.u+1,1);r=y(KG,m,-1,a.t+1,2);for(h=1;h<=a.t;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[CG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:r[h]=!0;break;case 18:0==a.o[h].indexOf(ub)?r[h]=!1:r[h]=!0}}if(a.k){var q;d=y(KG,m,-1,a.t+1,2);e=!1;for(h=1;h<=a.u;++h)f=a.H[h],g=a.I[h],d[f]=!0,d[g]=!0,(18==a.b[f]||18==a.b[g])&&(e=!0);if(e){h=1;a:for(;h<=a.u;++h)if(c[h]){f=
a.H[h];g=a.I[h];e=y(KG,m,-1,a.t+1,2);for(n=1;n<=a.z[f];++n)j=a.G[f][n],j!=g&&d[j]&&(e[j]=!0);for(q=!1;;){for(n=1;n<=a.t;++n){q=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.z[n];++o){j=a.G[n][o];if(j==g){for(f=1;f<=a.t;++f)e[f]&&(5==a.b[f]&&(a.b[f]=18,a.o[f]="#8"),4==a.b[f]&&(a.b[f]=18,a.o[f]="#7"),8==a.b[f]&&(a.b[f]=18,a.o[f]="#16"));continue a}!e[j]&&d[j]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.u;++j)1==a.s[j]?a.f[j]=1:JG(a,j)?a.f[j]=2:3==a.s[j]&&(a.f[j]=3);j=1;a:for(;j<=a.u;++j)if(c[j]&&(f=a.H[j],
g=a.I[j],r[f]&&r[g])){d=y(KG,m,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.t;++h){o=!1;if(d[h]&&r[h]&&h!=f)for(n=1;n<=a.z[h];++n){e=a.G[h][n];if(e==g){b[f]=!0;b[g]=!0;a.f[j]=5;continue a}!d[e]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function UC(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=N(M(oD((a.J[b]+a.J[c])/2))),a.N[d]=N(M(oD((a.M[b]+a.M[c])/2)))}function MG(a,b){var c;for(c=1;c<=a.u;++c)vD(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}
function tD(a,b){var c;c=(pC(),vC)[a.b[b]];18==a.b[b]&&(c=a.o[b]);return c}function JG(a,b){return 2==a.s[b]?!0:!1}function vD(a,b,c){var d,e,f,g;g=1;a.a=y(I,s,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.a[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.a[a.G[d][e]]&&(a.a[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]}
function fE(a){var b,c;a.n.R=!0;if(a.n.Nb)a.j=-1,0==a.d[a.D]?a.d[a.D]=4:a.d[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Vr([b+5,2]),VF(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.y;a.n.q&&(a.n.gb||++a.r,c=a.r);a.q[a.y][1]=c}}function PD(a){var b;a.y=0;a.r=0;wE(a);for(b=1;b<=a.t;++b)a.D=b,fE(a);a.D=0}
function QD(a){var b,c;b=y(RC,m,-1,4,1);SC(a,b);c=a.n.C.b;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function LC(a,b){var c,d,e,f,g,j,h,n;c=y(RC,m,-1,4,1);SC(a,c);d=c[0];e=c[1];j=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*j,n=-a.J[g]*j+a.M[g]*f,a.J[g]=h,a.M[g]=n;SC(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]}
function sE(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e}
function WD(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Pc)&&OF(c,Sc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(lb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(jb);e=c.indexOf(Ub);g=Rj(c.indexOf(xa),c.indexOf(Ca));if(-1<d){j=Mu(c,d+1);try{a.n.y=PB(j,10)}catch(h){if(h=Li(h),A(h,78))a.n.y=0;else throw h;}a.D=b;fE(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.b[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
g-0));a.b[b]=G(d,Cb)?3:G(d,zb)?2:G(d,ec)?4:G(d,oc)?5:G(d,qc)?7:G(d,Bc)?8:G(d,Qb)?9:G(d,Kb)?10:G(d,Bb)?11:G(d,Wb)?12:G(d,Ub)?1:G(d,Fc)?13:G(d,Gc)?6:G(d,rc)?19:G(d,sc)?20:G(d,tc)?21:G(d,uc)?22:18;18==a.b[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=NF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.x[b]=d);d=0;if(0<g&&(e=NF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=NF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=NF(c,g++);for(;45==e;)--d,e=NF(c,g++)}a.A[b]=d}}}
function DD(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new kC(b);try{for(;b.j=dC(b,b.a),b.j<b.i;)d=BD(PB(gC(b),10)).a,c=e=BD(PB(gC(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Li(f),A(f,78))hn(f);else throw f;}}function RG(a,b,c,d,e){b=CG(a,b,c);5!=a.f[b]&&JG(a,b)?kn(d.a,nb):3==a.s[b]?kn(d.a,la):9==a.s[b]?(e=rb,a=a.e[b],null!=a&&(e=a),kn(d.a,e)):1==e[b]?kn(d.a,Xa):-1==e[b]&&kn(d.a,Rc)}
function gE(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,xq(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:xq(a.n,"Stereomarking allowed only on single and double bonds!")}
function PG(a,b,c,d,e){var f,g,j,h,n,o,r,q,u;if(!(2!=a.s[b]||5==a.f[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);r=o=b=0;q=!1;for(n=1;n<=a.z[e];++n)g=a.G[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=CG(a,e,o);0!=d[h]?b=o:1==a.s[h]&&5!=a.f[h]&&(b=o);0==b&&(h=CG(a,e,r),0!=d[h]?b=r:1==a.s[h]&&5!=a.f[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.z[f];++n)g=a.G[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
r=j,j=g);h=CG(a,f,r);1==a.s[h]&&5!=a.f[h]&&0==d[h]&&(o=r);0==o&&(h=CG(a,f,j),1==a.s[h]&&5!=a.f[h]&&(o=j));if(!(0==b||0==o))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,r=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,u=(a.M[o]-a.M[e])*h-(a.J[o]-a.J[e])*g,2>(0>=r?0-r:r)||2>(0>=u?0-u:u))xq(a.n,"Not unique E/Z geometry !");else{j=CG(a,b,e);f=CG(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.z[b];++n)if(g=a.G[b][n],g!=e&&(h=CG(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==
d[f]&&(0<r&&0<u||0>r&&0>u?d[f]=-d[j]:d[f]=d[j],q&&(d[f]=-d[f]))}}}function HG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=CG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(JG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function QG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0}
function UD(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=HG(c,d);if(-1==e)c.x[d]=0;else{switch(c.b[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]=
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0}0>c.x[d]&&(c.x[d]=0)}}}function WC(a){zG(this);this.n=a;this.y=this.u=this.t=0}
function CD(a,b){var c,d,e,f,g,j,h;WC.call(this,a);f=l;j=zD(b);if(null!=j){h=new jC(b,j,!0);for(e=1;4>=e;++e)f=AD(h,j);g=BD(PB(Vn(f.substr(0,3)),10)).a;c=BD(PB(Vn(f.substr(3,3)),10)).a;for(e=1;e<=g;++e)hE(this),f=AD(h,j),this.J[e]=(new KF(HF(Vn(f.substr(0,10))))).a,this.M[e]=-(new KF(HF(Vn(f.substr(10,10))))).a,d=34,34>f.length&&(d=f.length),d=Vn(f.substr(31,d-31)),WD(this,e,d),62<=f.length&&(f=Vn(f.substr(60,3)),0<f.length&&(f=BD(PB(f,10)).a,0<f&&(this.D=e,a.y=f,fE(this),this.D=0)));for(e=1;e<=c;++e)oE(this),
f=AD(h,j),this.H[e]=BD(PB(Vn(f.substr(0,3)),10)).a,this.I[e]=BD(PB(Vn(f.substr(3,3)),10)).a,g=BD(PB(Vn(f.substr(6,3)),10)).a,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=BD(PB(Vn(f.substr(9,3)),10)).a),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);IG(this);sE(this);TC(this);for(RD(this);(h.j=dC(h,h.a),h.j<h.i)&&!(null==(f=gC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new iC(f);gC(g);gC(g);j=BD(PB(gC(g),10)).a;
for(e=1;e<=j;++e)c=BD(PB(gC(g),10)).a,this.A[c]=BD(PB(gC(g),10)).a}if(0==f.indexOf("M APO")){g=new iC(f);gC(g);gC(g);j=BD(PB(gC(g),10)).a;for(e=1;e<=j;++e)c=BD(PB(gC(g),10)).a,f=BD(PB(gC(g),10)).a,this.D=c,Z(this,0),WD(this,this.t,rc+f),this.D=0}}LG(this);RD(this)}}
function zE(a,b){var c,d,e,f,g;WC.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));OF(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new iC(b);d=BD(PB(gC(f),10)).a;e=BD(PB(gC(f),10)).a;for(c=1;c<=d;++c)g=gC(f),hE(this),WD(this,this.t,g),this.J[c]=(new KF(HF(gC(f)))).a,this.M[c]=-(new KF(HF(gC(f)))).a;for(c=1;c<=e;++c)if(oE(this),this.H[c]=BD(PB(gC(f),10)).a,this.I[c]=BD(PB(gC(f),10)).a,this.s[c]=BD(PB(gC(f),10)).a,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]=
1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else if(11==this.s[c]||12==this.s[c]||13==this.s[c]||14==this.s[c])this.B[c]=this.s[c],this.s[c]=9;IG(this);sE(this);TC(this)}catch(j){j=Li(j);if(A(j,78)){j.Dc();this.t=0;return}throw j;}LG(this);RD(this)}}
function FD(a,b,c){var d,e,f;WC.call(this,a);f=y(I,s,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.a[a]==c&&(hE(this),this.b[this.t]=b.b[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.d[this.t]=b.d[a],this.c[this.t]=b.c[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.a[d]!=c&&b.a[e]!=c)&&!(b.a[d]!=c||b.a[e]!=c))oE(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.e[this.u]=b.e[a];for(a=
1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.j=b.j;RD(this);TC(this)}
function ZD(a,b,c){var d,e,f,g,j;WC.call(this,a);for(a=1;a<=c;++a)this.t+=b[a].t,this.u+=b[a].u,this.y+=b[a].y;this.b=y(I,s,-1,this.t+1,1);this.A=y(I,s,-1,this.t+1,1);this.x=y(I,s,-1,this.t+1,1);this.d=y(I,s,-1,this.t+1,1);this.c=y(fs,m,1,this.t+1,0);this.J=y(RC,m,-1,this.t+1,1);this.M=y(RC,m,-1,this.t+1,1);this.o=y(fs,m,1,this.t+1,0);this.H=y(I,s,-1,this.u+1,1);this.I=y(I,s,-1,this.u+1,1);this.s=y(I,s,-1,this.u+1,1);this.e=y(fs,m,1,this.u+1,0);this.B=y(I,s,-1,this.u+1,1);this.q=Vr([this.y+1,2]);
f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].t;++d)++e,this.b[e]=b[a].b[d],this.J[e]=b[a].J[d],this.M[e]=b[a].M[d],this.A[e]=b[a].A[d],this.x[e]=b[a].x[d],this.d[e]=b[a].d[d],this.c[e]=b[a].c[d],this.o[e]=b[a].o[d];for(d=1;d<=b[a].u;++d)++g,this.s[g]=b[a].s[d],this.B[g]=b[a].B[d],this.H[g]=b[a].H[d]+f,this.I[g]=b[a].I[d]+f,this.e[g]=b[a].e[d];for(d=1;d<=b[a].y;++d)++j,this.q[j][0]=b[a].q[d][0]+f,this.q[j][1]=b[a].q[d][1];f=e}RD(this);TC(this)}
function EC(a){var b;zG(this);this.n=a.n;this.t=a.t;this.u=a.u;this.y=a.y;this.b=y(I,s,-1,this.t+1,1);VF(a.b,this.b,this.t+1);this.A=y(I,s,-1,this.t+1,1);VF(a.A,this.A,this.t+1);this.x=y(I,s,-1,this.t+1,1);VF(a.x,this.x,this.t+1);this.d=y(I,s,-1,this.t+1,1);VF(a.d,this.d,this.t+1);this.c=y(fs,m,1,this.t+1,0);VF(a.c,this.c,this.t+1);this.J=y(RC,m,-1,this.t+1,1);VF(a.J,this.J,this.t+1);this.M=y(RC,m,-1,this.t+1,1);VF(a.M,this.M,this.t+1);this.o=y(fs,m,1,this.t+1,0);VF(a.o,this.o,this.t+1);this.H=y(I,
s,-1,this.u+1,1);VF(a.H,this.H,this.u+1);this.I=y(I,s,-1,this.u+1,1);VF(a.I,this.I,this.u+1);this.s=y(I,s,-1,this.u+1,1);VF(a.s,this.s,this.u+1);this.e=y(fs,m,1,this.u+1,0);VF(a.e,this.e,this.u+1);this.B=y(I,s,-1,this.u+1,1);VF(a.B,this.B,this.u+1);this.q=Vr([this.y+1,2]);for(b=1;b<=this.y;++b)this.q[b][0]=a.q[b][0],this.q[b][1]=a.q[b][1];this.j=a.j}
function uE(a,b,c){var d,e,f;if(0==c)return XD(K(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=N(M(oD(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new KF(a)).a;d=Wn(e,Xn(46));0>d&&(e+=Wa,d=Wn(e,Xn(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=$a;if(0==b)return e;e.length>b&&(e=rb);c=l;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function zD(a){var b;b=new jC(a,aa,!0);if(4<cC(b))return aa;b=new jC(a,eh,!0);return 4<cC(b)?eh:null}
function XD(a,b){var c,d,e;d=l+(new S(a)).a;d.length>b&&(d=rb);e=l;for(c=1;c<=b-d.length;++c)e+=ba;return e+d}function AD(a,b){for(var c,d;a.j=dC(a,a.a),a.j<a.i;){d=gC(a);if(G(d,b))return ba;for(gC(a);;)if(c=d.charCodeAt(d.length-1),124==c||10==c||13==c){if(d=d.substr(0,d.length-1-0),0==d.length)return ba}else break;return d}return null}t(522,1,{94:1},WC,CD,zE,FD,ZD,EC);_.a=null;_.f=null;_.j=0;_.k=!1;_.n=null;_.p=!1;_.r=0;_.t=0;_.u=0;_.v=0;_.w=!1;_.y=0;_.C=!1;_.D=0;_.E=0;_.F=0;_.L=0;_.O=0;
function yq(){yq=x;zq=new gB(Ub)}
function LD(a,b){var c;yq();var d;sG.call(this);this.c=new Ez("Help");new Ez("Home");this.d=b;O(this,(pC(),rC));this.gc&&wA(this.gc,!1);tA(this,!1);d=iy(b);if(1==a)this.e||(this.e=new PA(d),qG(this.e,-30,0)),this.j=this.e,c=CC(b),this.gc&&vA(this.gc,Cc),Py(this,new zz(2)),this.f=new gB(c+" "),P(this,this.f,Jb),d=new Ty,P(d,this.i,null),this.d.Gb&&(c=new Ez("Submit"),P(d,c,null)),P(this,d,Kc),fB(this.f,Vn(ao(this.f.gc.a.gb,Wg))),this.gc&&wA(this.gc,!0),tA(this,!0);else if(2==a)this.b||(this.b=
new PA(d),qG(this.b,-50,13*b.Y-80)),this.j=this.b,this.gc&&vA(this.gc,"Nonstandard atom"),Py(this,new zz(2)),c=new Ty,P(c,new IA("atomic SMILES",1),null),P(this,c,jc),c=Ub,zq&&(c=ao(zq.gc.a.gb,Wg)),zq=new hB(c,8),P(this,zq,Jb),c=new Ty,P(c,this.i,null),P(this,c,Kc);else{this.a||(this.a=new PA(d),qG(this.a,5*b.Y,0));var e,f;d="About "+(pC(),EE);this.gc&&vA(this.gc,d);Py(this,new EA(0));O(this,rC);P(this,new IA(EE+" Molecular Editor v2013-10-13",1),null);P(this,new IA("Peter Ertl and Bruno Bienfait",
1),null);for(c=qC,d=0,f=c.length;d<f;++d)e=c[d],e=new IA(e,1),vy(e,this.d.x),P(this,e,null);c=new Ty;P(c,this.c,null);P(c,this.i,null);P(this,c,null);this.j=this.a}sA(this);c=this.j;rG(this.gc.c,c.a,c.b);!hy(this)&&My(this);wy(this)}t(523,515,ei,LD);_.Jf=function(a){var b,c;if(a.f===this.c){try{b=new JB(this.d.H),c=IB(b),$wnd.open(c,"_blank",l)}catch(d){if(d=Li(d),A(d,66))a=this.d,b=d.f,a.kb=!0,a.J="ERROR - "+b,NC(a);else throw d;}return!0}return!1};_.a=null;_.b=null;_.d=null;_.e=null;_.f=null;var zq;
function SG(a,b){gy(b)==a.a?O(b,(Kz(),Tz)):O(b,a.a)}
function TG(a){var b,c,d,e;e=l;d=!1;gy(UG)!=a.a?(e=wa,d=!0):gy(VG)!=a.a?(e="!#6",d=!0):gy(WG)!=a.a?(O(XG,(Kz(),Tz)),O(YG,Tz),O(ZG,Tz),O($G,Tz),e="F,Cl,Br,I"):(b=gy(aH)!=a.a,c=gy(bH)!=a.a,gy(cH)!=a.a&&(b?e+="c,":c?e+="C,":e+="#6,"),gy(dH)!=a.a&&(b?e+="n,":c?e+="N,":e+="#7,"),gy(eH)!=a.a&&(b?e+="o,":c?e+="O,":e+="#8,"),gy(fH)!=a.a&&(b?e+="s,":c?e+="S,":e+="#16,"),gy(gH)!=a.a&&(b?e+="p,":c?e+="P,":e+="#15,"),gy(XG)!=a.a&&(e+="F,"),gy(YG)!=a.a&&(e+="Cl,"),gy(ZG)!=a.a&&(e+="Br,"),gy($G)!=a.a&&(e+="I,"),
OF(e,za)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.b&&(b?e=ad:c?e=ub:(O(UG,(Kz(),Tz)),e=wa)));b=l;d&&gy(aH)!=a.a&&(b+=";a");d&&gy(bH)!=a.a&&(b+=";A");gy(hH)!=a.a&&(b+=";R");gy(iH)!=a.a&&(b+=";!R");gy(UG)!=a.a&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=jH.gc.a.gb.selectedIndex;0<d&&(--d,e+=";H"+d);d=kH.gc.a.gb.selectedIndex;0<d&&(--d,e+=";D"+d);gy(lH)!=a.a&&(e="~");gy(mH)!=a.a&&(e=jb);gy(nH)!=a.a&&(e=sb);gy(oH)!=a.a&&(e="!@");fB(a.e,e)}
function pH(a){qH(a);rH(a);var b=jH.gc.a;Tw(b,0);b.gb.options[0].selected=!0;b=kH.gc.a;Tw(b,0);b.gb.options[0].selected=!0;O(aH,a.a);O(bH,a.a);O(hH,a.a);O(iH,a.a);O(jH,a.a);O(kH,a.a);sH(a)}function qH(a){O(cH,a.a);O(dH,a.a);O(eH,a.a);O(fH,a.a);O(gH,a.a);O(XG,a.a);O(YG,a.a);O(ZG,a.a);O($G,a.a)}function rH(a){O(UG,a.a);O(VG,a.a);O(WG,a.a)}function sH(a){O(lH,a.a);O(mH,a.a);O(nH,a.a);O(oH,a.a);a.b=!1}
function MD(a){uA.call(this,"Atom/Bond Query");this.i=new Ez(this.If());dz(this.q,new tG(this));this.a=(pC(),rC);this.c=a;this.d||(a=iy(a),this.d=new PA(a),qG(this.d,-150,10));this.j=this.d;Py(this,new DA);O(this,this.a);a=new Ty;Py(a,new iA(0,3,1));P(a,new HA("Atom type :"),null);UG=new Ez(wb);VG=new Ez("Any except C");WG=new Ez("Halogen");P(a,UG,null);P(a,VG,null);P(a,WG,null);P(this,a,null);a=new Ty;Py(a,new iA(0,3,1));P(a,new IA("Or select one or more from the list :",0),null);P(this,a,null);
a=new Ty;Py(a,new iA(0,3,1));cH=new Ez(Cb);dH=new Ez(ec);eH=new Ez(oc);fH=new Ez(Bc);gH=new Ez(qc);XG=new Ez(Qb);YG=new Ez(Kb);ZG=new Ez(Bb);$G=new Ez(Wb);P(a,cH,null);P(a,dH,null);P(a,eH,null);P(a,fH,null);P(a,gH,null);P(a,XG,null);P(a,YG,null);P(a,ZG,null);P(a,$G,null);P(this,a,null);a=new Ty;Py(a,new iA(0,3,1));jH=new Iz;Hz(jH,wb);Hz(jH,$a);Hz(jH,bb);Hz(jH,hb);Hz(jH,ib);P(a,new HA("Number of hydrogens : "),null);P(a,jH,null);P(this,a,null);a=new Ty;Py(a,new iA(0,3,1));kH=new Iz;Hz(kH,wb);Hz(kH,
$a);Hz(kH,bb);Hz(kH,hb);Hz(kH,ib);Hz(kH,"4");Hz(kH,"5");Hz(kH,"6");P(a,new IA("Number of connections :",0),null);P(a,kH,null);P(a,new IA(" (H's don't count.)",0),null);P(this,a,null);a=new Ty;Py(a,new iA(0,3,1));P(a,new HA("Atom is :"),null);aH=new Ez(xb);P(a,aH,null);bH=new Ez("Nonaromatic");P(a,bH,null);hH=new Ez(Ac);P(a,hH,null);iH=new Ez(ic);P(a,iH,null);P(this,a,null);a=new Ty;O(a,$z(gy(this)));Py(a,new iA(0,3,1));P(a,new HA("Bond is :"),null);lH=new Ez(wb);P(a,lH,null);mH=new Ez(xb);P(a,mH,
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