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n,j+2*f,n);U(b,xA);break;case 107:U(b,zA);fB(b,h+4,g+4,a.Z-8,a.Z-8);U(b,xA);GD(b,h+4,g+4,a.Z-8,a.Z-8);KD(b,h+6,g+6,a.Z-11,a.Z-12,-35,-110);fB(b,h+9,g+9,2,4);fB(b,h+a.Z-10,g+9,2,4);break;case 108:f=~~(a.Z/4);X(b,h+f,g+a.Z-f,h+a.Z-f,g+f);f=~~(a.Z/2)-f;d=g+~~(2*a.Z/3);h+=~~(a.Z/2);X(b,h,d,h+f,d);g+=~~(a.Z/3);a=h-f;X(b,a,g,h,g);h=~~((a+h)/2);g-=~~(f/2);X(b,h,g,h,g+f);break;case 113:a.Jb&&(f=~~(c/2),d=a.Z-2*c-2*f,c=h+f+c,e=g+(c-h),U(b,DA),GD(b,c,e,d,d),U(b,wA),j=h+~~(a.Z/2),a=g+~~(a.Z/2),n=c+d,o=g+f,g=
o+f,X(b,c,g,j,o),X(b,j,o,n,g),g=e+d+f,o=g+f,X(b,c,g,j,o),X(b,j,o,n,g),h+=f,n=h+f,g=e+d,X(b,n,e,h,a),X(b,h,a,n,g),h=c+d+f,n=h+f,X(b,h,e,n,a),X(b,n,a,h,g));break;case 110:LD(b,h,g,a.Z,!0);break;case 111:LD(b,h,g,a.Z,!1);break;case 109:X(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));X(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)+~~(c/2));X(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)-~~(c/2));break;case 102:U(b,rA);fB(b,h+3,g+5,a.Z-7,a.Z-11);U(b,xA);GD(b,h+3,g+5,a.Z-7,a.Z-11);break;case 103:U(b,ZC);
a.qb&&eB(b,h+1,g+1,a.Z,a.Z,!1);U(b,xA);MD(a,b,h,g,"NEW");break;case 106:U(b,yA);X(b,h+7,g+7,h+a.Z-7,g+a.Z-7);X(b,h+8,g+7,h+a.Z-6,g+a.Z-7);X(b,h+7,g+a.Z-7,h+a.Z-7,g+7);X(b,h+8,g+a.Z-7,h+a.Z-6,g+7);U(b,xA);X(b,h+c,g+~~(a.Z/2),h+12,g+~~(a.Z/2));MD(a,b,h+6,g,vc);break;case 104:U(b,yA);X(b,h+7,g+7,h+a.Z-7,g+a.Z-7);X(b,h+8,g+7,h+a.Z-6,g+a.Z-7);X(b,h+7,g+a.Z-7,h+a.Z-7,g+7);X(b,h+8,g+a.Z-7,h+a.Z-6,g+7);U(b,xA);break;case 105:a.Ob?(U(b,CA),X(b,h+11,g+5,h+9,g+9),X(b,h+9,g+9,h+4,g+9),X(b,h+4,g+9,h+8,g+12),X(b,
h+8,g+12,h+6,g+18),X(b,h+6,g+18,h+11,g+15),X(b,h+12,g+5,h+14,g+9),X(b,h+14,g+9,h+19,g+9),X(b,h+19,g+9,h+15,g+12),X(b,h+15,g+12,h+17,g+18),X(b,h+17,g+18,h+12,g+15),U(b,xA)):MD(a,b,h,g,"123");break;case 114:U(b,EA);f=a.Z-8;d=h+~~((a.Z-f)/2);c=g+~~((a.Z-f)/2);fB(b,d,c,f,f);U(b,xA);ND(a,b,h,g,rA,"i");break;case 201:X(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)+2);X(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)-2);X(b,h+a.Z-c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)-2);break;case 202:X(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));
break;case 203:X(b,h+c,g+~~(a.Z/2)-2,h+a.Z-c,g+~~(a.Z/2)-2);X(b,h+c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)+2);break;case 204:X(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));X(b,h+c,g+~~(a.Z/2)-3,h+a.Z-c,g+~~(a.Z/2)-3);X(b,h+c,g+~~(a.Z/2)+3,h+a.Z-c,g+~~(a.Z/2)+3);break;case 205:X(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));X(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));X(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:OD(a,b,h,g+2,3);break;case 207:OD(a,b,h,g,4);break;
case 208:OD(a,b,h,g,5);break;case 209:OD(a,b,h,g,1);break;case 210:OD(a,b,h,g,6);break;case 211:OD(a,b,h,g,7);break;case 212:OD(a,b,h,g,8);break;case 213:MD(a,b,h,g,"FG"),a.G=new uB(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.Sb||1201!=f)&&null!=cD[d]&&ND(a,b,h,g,aD[d],cD[d])}
function PD(a){var b,c,d;a.lb&&(null==a.K&&(a.K=l),d=a.J.b,c=a.D.c-a.Z,b=a.Z,U(d,ZC),fB(d,0,0,c,b),a.pb?(U(d,(qA(),vA)),GD(d,-1,0,c,b-1)):(U(d,$C),X(d,0,0,c-1-2,0),U(d,GA(ZC)),X(d,0,b-1,c-1,b-1),X(d,c-1,0,c-1,b-1)),QD(d,a.Y),U(d,(qA(),xA)),-1!=a.K.toLowerCase().indexOf(je)&&U(d,yA),RD(d,a.K,10,15),SD(a.Vb,a.J,a.Z,a.D.b-a.Z))}
function TD(a){var b,c,d,e;if(a.mb){d=a.R.b;c=a.Z;b=a.D.b-2*a.Z-a.T;U(d,ZC);fB(d,0,0,c,b);a.pb?(U(d,(qA(),vA)),X(d,0,b-1,c,b-1),e=UD*(a.Z+a.T)+2,X(d,0,e,c,e),X(d,0,e,0,b),X(d,a.Z-1,e,a.Z-1,b-a.Z)):(U(d,$C),X(d,0,0,0,b-1),X(d,0,UD*a.Z,b-1,UD*a.Z),U(d,GA(ZC)),X(d,c-1,0,c-1,b-1-a.Z),X(d,0,b-1,c-1,b-1));for(b=3;b<=UD+2;++b)FD(a,d,1,b);SD(a.Vb,a.R,0,2*a.Z+a.T)}}
function VD(a){var b,c,d,e;if(a.nb){e=a.db.b;c=a.D.c-a.Z;b=a.D.b-3*a.Z-a.T;U(e,a.u);fB(e,0,0,c,b);d=a.eb?(CB(),FB):(CB(),HB);if((CB(),DB)==(CB(),DB))d==FB?e.b=l:e.b=xg;d=new Pz(a.fb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ea);for(d=1;d<=a.vb;++d){var f=a.gb[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,qb=o=v=r=j=void 0,V=o=j=void 0,L=h=r=h=void 0,fa=D=Q=void 0,J=h=q=r=r=E=u=L=j=V=V=v=L=J=q=V=L=u=fa=q=J=n=Q=o=v=v=E=J=void 0,
D=Q=1,n=2,fa=3;f.x&&(AD(f),xD(f.o,1,f.o.vb,0),f.x=!1);n*=f.o.C;fa*=f.o.C;j=1;0.7>f.o.C&&(j=1.2);j=N(M(WD(13*f.o.C*j)));XD(f.o,j);f.o.B&&(U(g,(qA(),xA)),GD(g,0,0,f.o.D.c-1,f.o.D.b-1));if(0!=f.u){if(-1==f.k){o=N(M(Math.round(12*n)));for(j=1;j<=f.u;++j)0<f.e[j]&&7>f.e[j]&&(U(g,(XC(),dD)[f.e[j]]),h=g,r=K(f.K[j]-o/2),V=K(f.N[j]-o/2),L=u=o,HD(h,!0),ID(h,JD(h,r,V,u,L)));for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],0!=f.e[h]&&f.e[h]==f.e[o]&&(U(g,(XC(),dD)[f.e[h]]),J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*J+
Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=3*fa*Q,J=3*fa*D,V=y(I,s,-1,4,1),r=y(I,s,-1,4,1),V[0]=K(f.K[h]+q),r[0]=K(f.N[h]-J),V[1]=K(f.K[o]+q),r[1]=K(f.N[o]-J),V[2]=K(f.K[o]-q),r[2]=K(f.N[o]+J),V[3]=K(f.K[h]-q),r[3]=K(f.N[h]+J),o=g,h=V,HD(o,!0),ID(o,YD(o,h,r,4,!0)))}for(j=1;j<=f.v;++j){U(g,(qA(),xA));h=f.I[j];o=f.J[j];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[o]&&U(g,(XC(),dD)[f.e[h]]);if(3==f.C[j]||4==f.C[j])r=h,h=o,o=r;L=f.K[h];u=f.N[h];V=f.K[o];r=f.N[o];if(1!=f.t[j]||0!=f.C[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.t[j]){case 2:10<=f.C[j]&&U(g,BA);q=n*Q;J=n*D;X(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,N(M(Math.round(L-q))),N(M(Math.round(u+J))),N(M(Math.round(V-q))),N(M(Math.round(r+J))));U(g,xA);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)));X(g,o,h,V,r);L=N(M(Math.round(fa*Q)));u=N(M(Math.round(fa*D)));X(g,o+L,h-u,V+L,r-u);X(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,X(g,N(M(Math.round(v))),N(M(Math.round(E))),N(M(Math.round(v))),N(M(Math.round(E))));QD(g,f.o.n);o=ZD(f.o.o);J=f.f[j];h=ub;null!=J&&(h=J);J=KB(f.o.o,h);L=N(M(Math.round((L+V)/2-J/2)));q=N(M(Math.round((u+r)/2+~~(o/2)-1)));U(g,BA);RD(g,h,L,q);U(g,xA);break;default:if(1==f.C[j]||3==f.C[j])q=fa*Q,J=fa*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,HD(o,!0),ID(o,YD(o,h,r,3,!0));else if(2==f.C[j]||4==f.C[j]){q=fa*Q;J=fa*D;for(h=0;10>h;++h)v=L-(L-V)/10*h,E=u-(u-r)/10*h,o=h/10,X(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 X(g,N(M(Math.round(L))),N(M(Math.round(u))),N(M(Math.round(V))),N(M(Math.round(r))))}}D=y(yD,m,-1,f.u+1,1);Q=y(I,s,-1,f.u+1,1);for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],n=f.K[h],r=f.K[o],++Q[h],++Q[o],D[h]=D[h]/Q[h]+r/Q[h],D[o]=D[o]/Q[o]+n/Q[o];QD(g,f.o.n);
o=ZD(f.o.o);J=y(Ks,m,1,f.u+1,0);V=y(I,s,-1,f.u+1,1);r=y(I,s,-1,f.u+1,1);n=y($D,m,55,f.u+1,0);u=2;1!=f.o.C&&(u=N(M(WD(2*f.o.C))));for(j=1;j<=f.u;++j)h=aE(f,j),(null==h||1>h.length)&&(h=wa),3==f.c[j]&&0<f.A[j]&&0==f.B[j]?(J[j]=h,V[j]=r[j]=KB(f.o.o,h),n[j]=bE(f,u,j,V[j],V[j],o,!1)):(L=D[j]<f.K[j],E=!0,1<Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/3&&(E=!1),2<Q[j]&&(E=!1),1==Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/10&&(L=!0),q=h,qb=l,f.o.Lb&&0<f.y[j]&&(qb+=Xb,1<f.y[j]&&
(qb+=f.y[j])),v=l,0!=f.B[j]&&(1<Wj(f.B[j])&&(v+=Wj(f.B[j])),0<f.B[j]?v+=ya:v+=Ca),L||!E?h=h+qb+v+l:h=v+qb+l+h,E||(q=h),J[j]=h,q=KB(f.o.o,q),v=KB(f.o.o,h),V[j]=q,r[j]=v,v=n[j]=bE(f,u,j,q,v,o,L),L=v.d+u+1,q=v.e+o+u,U(g,f.o.u),-1==f.k&&0!=f.e[j]&&U(g,(XC(),dD)[f.e[j]]),fB(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?U(g,(XC(),dD)[f.e[j]]):U(g,(qA(),xA)):U(g,(XC(),aD)[f.c[j]]),RD(g,h,L,q));for(h=1;h<=f.z;++h)j=f.r[h][0],q=V[j],v=r[j],L=N(M(WD(f.K[j]-q/2))),q=N(M(WD(f.N[j]+~~(o/2)-1))),U(g,(qA(),BA)),RD(g,ba+f.r[h][1],
L+v,q);if(0<f.E||0<f.F)if(U(g,104==f.o.d?(qA(),yA):(qA(),EA)),0<f.E&&106!=f.o.d&&(v=n[f.E],GD(g,v.d,v.e,v.c,v.b)),0<f.F&&(h=f.I[f.F],o=f.J[f.F],J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=(fa+1)*Q,J=(fa+1)*D,E=y(I,s,-1,5,1),v=y(I,s,-1,5,1),E[0]=N(M(WD(f.K[h]+q))),E[1]=N(M(WD(f.K[o]+q))),v[0]=N(M(WD(f.N[h]-J))),v[1]=N(M(WD(f.N[o]-J))),E[3]=N(M(WD(f.K[h]-q))),E[2]=N(M(WD(f.K[o]-q))),v[3]=N(M(WD(f.N[h]+J))),v[2]=N(M(WD(f.N[o]+J))),E[4]=E[0],v[4]=v[0],106!=f.o.d&&(fa=
g,j=E,Q=v,fa.o&&(HD(fa,!1),ID(fa,YD(fa,j,Q,5,!0)))),106==f.o.d&&cE(f,f.I[f.F],f.J[f.F]))){fa=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++fa;if(fa>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;U(g,(qA(),yA));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],GD(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(U(e,(qA(),vA)),X(e,c-1,0,c-1,b-1)):(U(e,GA(ZC)),X(e,c-1,0,c-1,b-1),U(e,ZC),X(e,c-2,0,c-2,b-1),U(e,$C),X(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),U(e,(qA(),BA)),X(e,d,~~(b/2),d+48,~~(b/2)),X(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),
X(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.A&&(a.U=new TA($b,0,13),a.X=new JB(a.U),null!=a.cb&&(d=KB(a.X,a.cb),c=N(M(Math.round((c-d)/2))),b-=13,U(e,(qA(),xA)),QD(e,a.U),RD(e,a.cb,c,b)));SD(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
function OD(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(I,s,-1,9,1);n=y(I,s,-1,9,1);c+=~~(a.Z/2);d+=~~(a.Z/2);a=~~(a.Z/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+a*Math.sin(j)),n[f]=K(d+a*Math.cos(j));f=e+1;b.o&&(HD(b,!1),ID(b,YD(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+(a-3)*Math.sin(j)),n[f]=K(d+(a-3)*Math.cos(j));X(b,h[0],n[0],h[1],n[1]);X(b,h[2],n[2],h[3],n[3]);X(b,h[4],n[4],h[5],n[5])}}
function dE(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;U(d,ZC);fB(d,0,0,b,c);a.pb?(U(d,(qA(),vA)),c=14*(a.Z+a.T),GD(d,c,0,b-c-1,2*a.Z+a.T-1)):(U(d,GA(ZC)),X(d,b-1,0,b-1,c-1),X(d,0,c-1,b-1-2,c-1),U(d,$C),X(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)FD(a,d,b,1),FD(a,d,b,2);a.d=c;SD(a.Vb,a.Rb,0,0)}}
function LD(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);X(a,j,q,f,h);X(a,g,q,f,h);j=~~(n/3);X(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);KD(a,b,c+o-j,f,d-4-j-1,e,h)}
function eE(a,b,c){var d,e,f,g,j,h;fE(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=gE(b);b=new RC(b,j,!0);e=l;for(d=1;5>=d;++d)e=hE(b,j);d=iE(wC(go(e.substr(0,3)),10)).b;g=iE(wC(go(e.substr(3,3)),10)).b;hE(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=hE(b,j),null==h||G(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new jE(a,f)}xD(a,1,d,1);xD(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new jE(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",uD(a),!1;null!=a.j&&a.$&&kE(a.$,a.j,!0);null!=a.k&&
a.$&&kE(a.$,a.k,!1);j=lE(a.$,!1);if(1==j)a.gb[++a.vb]=a.$;else{a.kb=!0;for(e=1;e<=j;++e)a.gb[++a.vb]=new mE(a,a.$,e)}a.f=1;a.$=a.gb[a.f];xD(a,1,j,0)}c&&uD(a);return!0}function br(a,b){a.lb=!0;a.K=b}function XD(a,b){100>b&&(!fD[b]&&(fD[b]=new TA($b,0,b)),!hD[b]&&Fs(hD,b,new JB(fD[b])),a.n=fD[b],a.o=hD[b])}
function fr(a,b){var c,d;if(0==b)return!1;tD(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:CD(a);break;case 110:a.nb=!0;a.d=c;a._.b!=a._.c&&a._.b.c!=a._.c?a.i&&(++a.vb,a.f=a.vb,a.i=!1):(a.lb=!0,a.K="No more undo");if(!(a._.b!=a._.c&&a._.b.c!=a._.c))break;nE(a,oE(a._));a.nb=!0;break;case 111:a.d=c;if(a._.b.d)a.i&&(++a.vb,a.f=a.vb,a.i=!1);else{a.lb=!0;a.K="No more redo";break}if(!a._.b.d)break;d=a._;if(!d.b.d)throw new qv("Cannot redo. Index is out of range.");if(!d.b.d)throw new qv(cc);
d.b=d.b.d;nE(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=ku(d,d.b)):d=null;null==d?(a.lb=!0,a.K=oc):(br(a,hc+(a.Ib.b+1)+ca+a.Ib.d),d=pE(d),qE(a,d,!1,!0),null!=a.tb&&TC(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=ku(d,d.b)):d=null;null==d?(a.lb=!0,a.K=oc):(br(a,hc+(a.Ib.b+1)+ca+a.Ib.d),d=pE(d),qE(a,d,!1,!0),null!=a.tb&&TC(a.tb,null));break;case 101:a.Mb&&rE(a.Mb);a.Mb=new sE(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new tE(a):a.Eb.hc.d._?uE(a.Eb.hc.d):vE(a.Eb);break;case 114:a.c&&
rE(a.c);a.c=new sE(0,a);a.d=c;break;case 103:a.nb=!0;a.qb=!0;a.d=c;break;case 105:a.nb=!0;a.r&&a.hb&&(a.hb=!1,wE(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=xE(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(yD,m,-1,4,1);zD(a.$,d);a.nb=!0;a.$=new lD(a.$);d=K(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;yE(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,zE(a.$,a.$.E),a.$.E=0,vD(a)):0<a.$.F&&(a.nb=!0,AE(a.$,a.$.F),a.$.F=0,vD(a));BE(a.$);break;case 213:a.d=
c;if(!a.F){var e,f,g,j;j=new zB;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new rB(c),xB(j,g),g.d=c,Kz(g.e,a);Hy(a,j);a.F=j}yB(a.F,a,a.G.b,a.G.c)}else{a.mb=!0;a.ob=!0;switch(b){case 301:a.e=3;break;case 401:a.e=4;break;case 501:a.e=5;break;case 701:a.e=9;break;case 801:a.e=10;break;case 901:a.e=11;break;case 1001:a.e=12;break;case 601:a.e=8;break;case 1101:a.e=7;break;case 1300:a.e=1;break;case 1201:a.p&&(rE(a.p),a.p=null);0==a.$.E&&(a.p=new sE(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.E&&(a.nb=!0,a.e!=a.$.c[a.$.E]&&18!=a.e&&(a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,vD(a)),18==a.e&&(d=oo((cr(),dr).hc.b.hb,Zg),CE(a.$,a.$.E,d),vD(a)),BE(a.$))}uD(a);return!0}
function Zq(a){var b,c,d;d=pD(a);c=l;if(a.Gb){var e,f,g;g=zs([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)xE(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(DE(g[1][0],3)+DE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+EE(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+EE(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new FE(a,a.gb,a.vb)),c=EE(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
function GE(a,b,c,d){var e;e=c;var f=d,g,j;(g=HE(b),j=0!=(b.f&2),g||j)?(a.Gb?yB((!a.x&&(a.x=ED(a,!0)),a.x),a,e,f):yB((!a.w&&(a.w=ED(a,!1)),a.w),a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=IE(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){b=0;for(e=1;14>=e;++e)if(c<e*(a.Z+a.T)){b=e;break}c=0;for(e=1;e<=UD+2;++e)if(d<e*(a.Z+a.T)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",uD(a),
!0;if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",uD(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=fr(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)zE(a.$,a.$.E),a.$.E=0,vD(a);else{if(106==a.d)return!0;if(108==a.d)JE(a.$,a.$.E,0),vD(a);else if(157==a.d)JE(a.$,a.$.E,1),vD(a);else if(158==a.d)JE(a.$,a.$.E,-1),vD(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
1,Y(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):vD(a);else if(206<=a.d&&229>=a.d)a.P=2,KE(a.$),vD(a);else if(230==a.d)a.P=3,vD(a);else if(233<=a.d&&262>a.d)LE(a.$,!1),vD(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;CE(a.$,a.$.E,oo(a.Eb.f.hc.b.hb,Zg));a.$.n=!0;vD(a)}else if(105==a.d)ME(a.$),vD(a);else if(113!=a.d)if(300<a.d){if(a.e!=a.$.c[a.$.E]||18==a.e)a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,18==a.e&&(d=oo((cr(),dr).hc.b.hb,Zg),1>d.length&&(d=Sc),CE(a.$,a.$.E,
d)),vD(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,KE(a.$),vD(a);else if(0<a.$.F)if(104==a.d)AE(a.$,a.$.F),a.$.F=0,vD(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])br(d.o,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.u;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;zE(d,c);d.b[c]=0}a.$.F=0;vD(a)}else if(201==a.d)NE(a.$,a.$.F),vD(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),vD(a),a.$.C[a.$.F]=
0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,vD(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,vD(a);else if(206<=a.d&&229>=a.d)a.P=2,KE(a.$),vD(a);else if(107==a.d){if(!a.Eb.c)return!0;d=oo(a.Eb.f.hc.b.hb,Zg);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;vD(a)}else 105==a.d?(a.lb=!0,a.K="Only atoms may be marked !"):e=!1;else if(0==a.vb||a.qb){if(201>=a.d)return!1;++a.vb;a.f=a.vb;a.gb[a.vb]=new DD(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(OE(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
1,a.$.G=1,a.P=1,Y(a.$,0),205==a.d&&(a.$.K[2]=c+21.65,a.$.N[2]=d-12.5,a.$.j[0]=1,a.$.j[1]=2,a.$.w=1)):206<=a.d&&229>=a.d?(a.$.M=c,a.$.P=d,a.P=2,KE(a.$)):300<a.d?(OE(a.$),a.$.c[1]=a.e,a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,18==a.e&&(d=oo((cr(),dr).hc.b.hb,Zg),1>d.length&&(d=Sc),CE(a.$,1,d))):230==a.d?PE(a,null,!0):233<=a.d&&262>a.d?(OE(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,LE(a.$,!0)):iC();vD(a)}else e=!1;e&&(BE(a.$),a.mb=!1,a.ob=!1,a.nb=!0,uD(a))}return e}
function QE(a,b,c,d){var e,f;if(a.A||!a.ib||HE(b))return!0;a.lb=!1;c-=a.Z;d-=2*a.Z;e=c-a.Tb;f=d-a.Ub;if(2==a.P||3==a.P||9==a.P)return!0;if(1==a.P){a:{b=a.$;e=c;f=d;var g,j,h,n,o,r,q;b.E=0;b.K[0]=e;b.N[0]=f;g=RE(b,0);if(0<g&&205!=b.o.d)b.E=g,g!=b.G?(b.K[b.u]=b.K[g],b.N[b.u]=b.N[g]):(b.K[b.u]=b.M,b.N[b.u]=b.P);else if(205==b.o.d){b.F=0;g=b.j[b.w];n=b.j[b.w-1];j=b.K[g]-b.K[n];h=b.N[g]-b.N[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.K[n];q=f-b.N[n];n=-g/2+r*j+
q*h;h=q*j-r*h;if(0>n)if(1<b.w)zE(b,b.u),--b.w,b.D=!1;else if(2==b.u)0>b.N[2]-b.N[1]&&0<f-b.N[1]?b.N[2]=b.N[1]+g/2:0<b.N[2]-b.N[1]&&0>f-b.N[1]&&(b.N[2]=b.N[1]-g/2),0>b.K[2]-b.K[1]&&0<e-b.K[1]?b.K[2]=b.K[1]+0.866*g:0<b.K[2]-b.K[1]&&0>e-b.K[1]&&(b.K[2]=b.K[1]-0.866*g);else{if(2==b.A[b.j[0]]&&(o=b.H[b.j[0]][1],o==b.j[1]&&(o=b.H[b.j[0]][2]),j=b.K[b.j[0]]-b.K[o],h=b.N[b.j[0]]-b.N[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,r=e-b.K[o],q=f-b.N[o],e=q*j-r*h,r=b.K[b.j[1]]-b.K[o],q=b.N[b.j[1]]-b.N[o],f=q*j-
r*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],Y(b,0),AE(b,e),0<RE(b,b.u)&&(b.D=!0)}else{if(b.D)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.w;if(100<b.w){br(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;Y(b,N(M(Math.round(h))));b.j[b.w]=b.u;0<RE(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;br(b.o,e+l)}else j=e-b.K[b.G],h=f-b.N[b.G],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.K[b.u]=b.K[b.G]+25*(j/g),b.N[b.u]=b.N[b.G]+25*(h/g)}a.s=!0}else if(113==a.d&&0<a.$.E)a.jb||(a.jb=
!0),b=a.$,0<b.E&&(e=b.E,b.K[e]=c,b.N[e]=d);else if(IE(b)||HE(b))sD(a.$,e),a.P=5;else if(0==a.$.E&&0==a.$.F){5!=a.P&&(e=f=0);b=a.$;for(g=1;g<=b.u;++g)b.K[g]+=e,b.N[g]+=f;h=y(yD,m,-1,4,1);zD(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.o.D.c-b.o.Z&&0<h&&h<b.o.D.b-3*b.o.Z))for(g=1;g<=b.u;++g)b.K[g]-=e,b.N[g]-=f;a.P=5}a.E=!1;tD(a);a.nb=!0;uD(a);a.Tb=c;a.Ub=d;return!0}
function SE(a,b,c,d){var e,f,g;if(!(a.A&&null==a.sb||HE(b))){c-=a.Z;d-=2*a.Z;g=!1;f=0;b=1;a:for(;b<=a.vb;++b){e=a.gb[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=((XC(),eD)?350:170)+1,q=1;q<=e.v;++q)n=j-e.L[q],o=h-e.O[q],n=n*n+o*o,n<u&&(u=n,r=q);r*=-1;for(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);e=r;if(0!=e){a.gb[b].E=0<e?e:0;a.gb[b].F=0>e?-e:0;f=b;g=!0;TE(a,a.gb[b].E);113==a.d&&0>e&&(g=!1,a.gb[b].F=0);break a}else if(TE(a,0),0<a.gb[b].E||0<a.gb[b].F)a.gb[b].E=
0,a.gb[b].F=0,g=!0}if(g){for(b=a.f+1;b<=a.vb;++b)a.gb[b].E=0,a.gb[b].F=0;a.E=!1;tD(a);a.nb=!0;uD(a)}!a.A&&0!=f&&f!=a.f&&(a.f=f,a.$=a.gb[a.f])}}
function UE(a){if(a.A)return!0;a.jb&&(a.jb=!1,vD(a));a.lb=!1;a.Q=ih;if(1==a.P){if(205==a.d){var b=a.$,c,d;b.D&&(c=RE(b,b.u),6>b.A[c]&&(VE(b),d=b.j[b.w-1],b.I[b.v]=c,b.J[b.v]=d,b.H[c][++b.A[c]]=d,b.H[d][++b.A[d]]=c),zE(b,b.u));b.D=!1;vD(a)}else a:{var b=a.$,e,f;c=RE(b,b.u);if(0!=c){--b.u;for(f=1;f<b.v;++f)if(d=b.I[f],e=b.J[f],d==c&&e==b.G||d==b.G&&e==c){--b.v;--b.A[b.G];3>b.t[f]?(++b.t[f],b.C[f]=0):br(b.o,"Maximum allowed bond order is 3 !");break a}6==b.A[c]?(--b.v,--b.A[b.G],br(b.o,"Not possible connection !")):
(b.J[b.v]=c,b.H[c][++b.A[c]]=b.G,b.H[b.G][b.A[b.G]]=c,b.L[b.v]=N(M(WD((b.K[b.G]+b.K[c])/2))),b.O[b.v]=N(M(WD((b.N[b.G]+b.N[c])/2))))}}BD(a.$);a.s&&(b=a._,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,oE(b),b.b.d=c),vD(a),a.s=!1)}else 5==a.P&&(BD(a.$),vD(a));0<a.P&&(a.E=!1,tD(a),a.nb=!0,BE(a.$),WE(a.$),uD(a),a.P=0,a.i=!1);if(eD&&(0!=a.$.F||0!=a.$.E))a.$.F=0,a.$.E=0,tD(a),a.nb=!0,uD(a);return!0}function tD(a){a.mb=!1;a.ob=!1;a.nb=!1}
function TE(a,b){if(null!=a.sb&&!(0>=b&&0==a.Cb||b==a.Cb&&a.f==a.Bb))0>=b&&0<a.Cb&&(b=0),a.Cb=b,a.Bb=a.f,TC(a.sb,H(XE,m,82,[new S(a.f),new S(b)]))}
function YE(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Fb=!1:-1<b.indexOf("rbutton")&&(a.Fb=!0);-1<b.indexOf("nohydrogens")?a.Lb=!1:-1<b.indexOf("hydrogens")&&(a.Lb=!0);-1<b.indexOf("keephs")&&(a.O=!0);-1<b.indexOf("removehs")&&(a.O=!1);-1<b.indexOf("noquery")?a.Db=!1:-1<b.indexOf("query")&&(a.Db=!0);-1<b.indexOf(Hf)?a.Gb=!1:-1<b.indexOf(fg)&&(a.Gb=!0);-1<b.indexOf("noautoez")?a.q=!1:-1<b.indexOf("autoez")&&(a.q=!0);-1<b.indexOf("nostereo")?a.Pb=!1:-1<b.indexOf("stereo")&&(a.Pb=!0);
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2]=5,a.c[a.u-3]=7,a.t[a.v]=2),c=4;else if(244==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,Y(a,0),a.c[a.u]=8,a.E=a.u,a.q=!0,Y(a,0),a.q=!1,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-2,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=5;else if(234==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,a.o.zb&&JE(a,a.E,1),Y(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.o.zb?(a.t[a.v]=1,JE(a,a.u,-1)):a.t[a.v]=2,c=3;else if(235==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.c[a.u]=5,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(240==a.o.d)Y(a,0),a.E=
a.u,Y(a,0),a.c[a.u]=5,a.E=a.u,Y(a,0),a.E=a.u-2,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=4;else if(260==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.c[a.u]=4,a.E=a.u-1,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(261==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(241==a.o.d)Y(a,0),a.c[a.u]=5,a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),a.E=a.u-1,Y(a,0),a.t[a.v]=2,a.c[a.u]=5,c=4;else if(243==a.o.d)Y(a,0),a.c[a.u]=4,a.E=a.u,Y(a,0),a.E=a.u-1,Y(a,0),c=3;else if(238==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.t[a.v]=
3,a.q=!1,c=2;else if(249==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.t[a.v]=2,a.c[a.u]=5,c=2;else if(250==a.o.d)Y(a,0),a.t[a.v]=2,a.c[a.u]=5,c=1;else if(245==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.E=a.u,a.t[a.v]=3,Y(a,0),a.q=!1,c=3;else if(242==a.o.d)Y(a,0),a.E=a.u,a.q=!0,Y(a,0),a.t[a.v]=3,a.c[a.u]=4,a.q=!1,c=2;else if(254==a.o.d)Y(a,0),a.c[a.u]=9,c=1;else if(255==a.o.d)Y(a,0),a.c[a.u]=10,c=1;else if(256==a.o.d)Y(a,0),a.c[a.u]=11,c=1;else if(257==a.o.d)Y(a,0),a.c[a.u]=12,c=1;else if(258==a.o.d)Y(a,0),a.c[a.u]=4,
c=1;else if(259==a.o.d)Y(a,0),a.c[a.u]=5,c=1;else if(246==a.o.d)Y(a,0),a.E=a.u,Y(a,0),c=2;else if(247==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),c=3;else if(248==a.o.d)Y(a,0),a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),a.E=a.u,Y(a,0),c=4;else if(253==a.o.d){var d,e,f,g,j,h,n,o,r,q,u;if(a.o.Qb){c=0;o=a.o.Qb;for(n=1;n<=o.z;++n)d=o.r[n][0],1==o.r[n][1]&&(c=d);d=a.u;n=a.E;Y(a,0);e=a.K[a.u];g=a.N[a.u];zE(a,a.u);e=a.K[n]-e;g=a.N[n]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=o.u;++h)OE(a),a.c[a.u]=o.c[h],a.B[a.u]=o.B[h],
a.y[a.u]=o.y[h],a.K[a.u]=o.K[h],a.N[a.u]=o.N[h];for(h=1;h<=o.v;++h)VE(a),a.I[a.v]=o.I[h]+d,a.J[a.v]=o.J[h]+d,a.t[a.v]=o.t[h];yE(a);a.E=c+d;Y(a,0);o=a.K[a.u];q=a.N[a.u];zE(a,a.u);f=a.K[c+d]-o;j=a.N[c+d]-q;h=Math.sqrt(f*f+j*j);j/=h;f/=h;for(h=d+1;h<=a.u;++h)a.K[h]-=o,a.N[h]-=q,r=a.K[h]*f+a.N[h]*j,u=a.N[h]*f-a.K[h]*j,a.K[h]=r,a.N[h]=u,r=-a.K[h]*e+a.N[h]*g,u=-a.N[h]*e-a.K[h]*g,a.K[h]=r,a.N[h]=u,a.K[h]+=a.K[n],a.N[h]+=a.N[n];VE(a);a.I[a.v]=n;a.J[a.v]=c+d;yE(a);b&&(zE(a,n),AD(a))}c=4}jH(a,c);a.E=a.G;b&&
(a.E=0)}
function iH(a,b,c,d){var e,f,g,j,h;e=a.H[b][1];f=a.H[b][2];g=a.K[f]-a.K[e];j=-(a.N[f]-a.N[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j?0-((a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j):(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j)?(g=a.K[b]-a.K[e],j=a.N[b]-a.N[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.K[e]+h*g-c*j,d[1]=a.N[e]+c*g+h*j):(g=(a.K[e]+a.K[f])/2,e=(a.N[e]+a.N[f])/2,g=a.K[b]-g,j=a.N[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.K[b]+
c*g/h,d[1]=a.N[b]+c*j/h)}
function KE(a){var b,c,d,e,f,g,j,h,n,o,r,q,u;n=-1;j=6;switch(a.o.d){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.o.C*a.o.C/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.E)if(2>a.A[a.E])kH(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,Y(a,0),a.E=a.u,kH(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){br(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[hH(a,a.E,a.H[a.E][d])],2<d||1!=b){br(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(yD,m,-1,2,1);iH(a,a.E,h,b);e=a.K[a.E]-b[0];g=a.N[a.E]-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)OE(a),r=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*g)}else if(0<a.F){b=a.I[a.F];c=a.J[a.F];d=0;2==a.A[b]?a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]:2==a.A[c]&&(a.H[c][1]!=
b?d=a.H[c][1]:d=a.H[c][2],o=b,b=c,c=o);0==d&&(a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]);e=a.K[c]-a.K[b];g=a.N[c]-a.N[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.N[d]-a.N[b])*e-(a.K[d]-a.K[b])*g&&(u=-u,o=0);q=a.K[b]+r*e-u*g;u=a.N[b]+u*e+r*g;for(d=1;d<=j;++d)OE(a),r=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=u+h*(Math.cos(r)*e+Math.sin(r)*g),1==o?(d==j&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j-1&&(a.K[a.u]=
a.K[c],a.N[a.u]=a.N[c])):(d==j-1&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j&&(a.K[a.u]=a.K[c],a.N[a.u]=a.N[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)OE(a),r=f*(d-b),a.K[a.u]=a.M+h*Math.sin(r),a.N[a.u]=a.P+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)VE(a),a.t[a.v]=1,h=a.u-b+f,a.A[h]=2,a.I[a.v]=h,a.J[a.v]=h+1;a.J[a.v]=a.u-b+1;if(209==a.o.d){if(a.t[a.v-4]=2,a.t[a.v-2]=2,a.t[a.v]=2,0<a.F)if(1==a.t[a.F]){if(b=0,1<a.A[a.I[a.F]]&&(b=a.H[a.I[a.F]][1],h=a.I[a.F],b==a.J[a.F]&&(b=a.H[a.I[a.F]][2])),0==b&&1<a.A[a.J[a.F]]&&
(b=a.H[a.J[a.F]][1],h=a.J[a.F],b==a.J[a.F]&&(b=a.H[a.J[a.F]][2])),0<b)for(f=1;f<=a.v;++f)if(a.I[f]==b&&a.J[f]==h||a.I[f]==h&&a.J[f]==b){1!=a.t[f]&&(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=3);break}}else a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=2}else if(221==a.o.d||223==a.o.d)if(0<a.F){if(1==a.t[a.F]){b=!1;for(f=1;f<=a.A[a.I[a.F]];++f)if(h=a.H[a.I[a.F]][f],1<a.t[hH(a,a.I[a.F],h)]){b=!0;break}for(f=1;f<=a.A[a.J[a.F]];++f)if(h=a.H[a.J[a.F]][f],
1<a.t[hH(a,a.J[a.F],h)]){b=!0;break}b||(a.t[a.F]=2)}a.t[a.v-4]=2;a.c[a.u-2]=5}else 0<a.E?221==a.o.d?(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v-1]=1,a.t[a.v-3]=2,a.t[a.v]=2,a.c[a.u-1]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5);h=y(I,s,-1,a.u+1,1);for(f=1;f<=j;++f)b=a.u-j+f,c=a.v-j+f,a.H[b][1]=b-1,a.H[b][2]=b+1,b=a.I[c],e=a.J[c],a.L[c]=N(M(WD((a.K[b]+a.K[e])/2))),a.O[c]=N(M(WD((a.N[b]+a.N[e])/
2)));a.H[a.u-j+1][1]=a.u;a.H[a.u][2]=a.u-j+1;for(f=a.u-j+1;f<=a.u;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.u-j;++b)e=a.K[f]-a.K[b],d=a.N[f]-a.N[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.E||c==a.E)&&(h[f]=c)}g=a.v-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.I[f],e=a.J[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.I[c]==h[b]&&a.J[c]==h[e]||a.J[c]==h[b]&&a.I[c]==h[e])continue a;VE(a);a.t[a.v]=a.t[f];a.I[a.v]=h[b];a.H[h[b]][++a.A[h[b]]]=h[e];a.J[a.v]=h[e];a.H[h[e]][++a.A[h[e]]]=h[b];a.L[a.v]=N(M(WD((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
2)));a.O[a.v]=N(M(WD((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(VE(a),a.t[a.v]=a.t[f],a.I[a.v]=h[b],a.H[h[b]][++a.A[h[b]]]=e,a.J[a.v]=e,a.H[e][++a.A[e]]=h[b],a.L[a.v]=N(M(WD((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=N(M(WD((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(VE(a),a.t[a.v]=a.t[f],a.I[a.v]=h[e],a.H[h[e]][++a.A[h[e]]]=b,a.J[a.v]=b,a.H[b][++a.A[b]]=h[e],a.L[a.v]=N(M(WD((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=N(M(WD((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2))));d=a.u-j;for(f=a.u;f>d;--f)if(0<
h[f]&&(zE(a,f),3==a.c[h[f]])){o=0;for(b=1;b<=a.A[h[f]];++b){e=a.H[h[f]][b];for(c=1;c<=a.v;++c)(a.I[c]==h[f]&&a.J[c]==e||a.I[c]==e&&a.J[c]==h[f])&&(o+=a.t[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.t[c]=1}0<a.E&&jH(a,j);-1<n&&(a.E=n)}
function kH(a,b,c,d){var e,f,g,j,h,n;0==a.A[a.E]?(e=0,f=1):(e=a.H[a.E][1],f=a.K[a.E]-a.K[e],e=a.N[a.E]-a.N[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.K[a.E]+d*f;n=a.N[a.E]+d*e;for(g=1;g<=b;++g)OE(a),j=c*g-1.5707963267948966,a.K[a.u]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.N[a.u]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function jH(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=RE(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
function hH(a,b,c){var d;for(d=1;d<=a.v;++d)if(a.I[d]==b&&a.J[d]==c||a.I[d]==c&&a.J[d]==b)return d;return 0}function lH(a,b,c){var d,e,f,g;e=ih;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(Ct(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)Ct(c[d])&&!qt(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)wt(c[d],e)&&(b[d]=g,c[d]=ih,++f);if(f==a.u)break}return g==a.u}
function AD(a){var b,c,d;b=y(yD,m,-1,4,1);d=c=0;a.o&&a.o.D&&0<a.o.D.c&&(c=a.o.D.c-a.o.Z,d=a.o.D.b-3*a.o.Z);if(0>=c||0>=d)a.x=!0;else{zD(a,b);c=~~(c/2)-N(M(Math.round(b[0])));d=~~(d/2)-N(M(Math.round(b[1])));if(!a.o.rb)for(b=1;b<=a.u;++b)a.K[b]+=c,a.N[b]+=d;BD(a)}}
function zD(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.u;++c)a.K[c]<f&&(f=a.K[c]),a.K[c]>d&&(d=a.K[c]),a.N[c]<g&&(g=a.N[c]),a.N[c]>e&&(e=a.N[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 JE(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=mH(a,b),-1==d&&0==c&&(0==a.B[b]?a.B[b]=1:1==a.B[b]?a.B[b]=-1:-1==a.B[b]&&(a.B[b]=0)),a.c[b]){case 2:2<d&&br(a.o,"Charge change not possible on this boron !");0==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0);break;case 3:3<d?br(a.o,"Charge change not possible on this carbon !"):4>d&&(0==a.B[b]?a.B[b]=-1:-1==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0));break;case 4:case 7:3<d?br(a.o,"Charge change not possible on multibonded N or P !"):
3==d&&0==a.B[b]?a.B[b]=1:3==d&&1==a.B[b]?a.B[b]=0:3>d&&0==a.B[b]?a.B[b]=1:3>d&&1==a.B[b]?a.B[b]=-1:3>d&&-1==a.B[b]&&(a.B[b]=0);break;case 5:case 8:case 13:2<d?br(a.o,"Charge change not possible on multibonded O or S !"):2==d&&0==a.B[b]?a.B[b]=1:2==d&&1==a.B[b]?a.B[b]=0:2>d&&0==a.B[b]?a.B[b]=-1:2>d&&-1==a.B[b]?a.B[b]=1:2>d&&1==a.B[b]&&(a.B[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.B[b]?a.B[b]=-1:0==d&&-1==a.B[b]?a.B[b]=0:br(a.o,"Charge change not possible on the halogen !");break;case 18:br(a.o,
"Use X button to change charge on the X atom !")}}
function lE(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(I,s,-1,a.u+1,1);;){for(e=1;e<=a.u;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=y(I,s,-1,f+1,1);for(c=1;c<=a.u;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.u;1<=c;--c)a.b[c]!=d&&zE(a,c);AD(a);br(a.o,"Smaller part(s) removed !");return 1}
function RE(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.u;++e)b!=e&&(c=a.K[b]-a.K[e],d=a.N[b]-a.N[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
function WE(a){var b,c,d;for(d=1;d<=a.v;++d){b=a.I[d];c=a.J[d];if(1==a.B[b]&&-1==a.B[c]||-1==a.B[b]&&1==a.B[c])if(1==a.t[d]||2==a.t[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.o.zb)continue;if(1==a.c[b]||1==a.c[c])continue;if(2==a.c[b]||2==a.c[c])continue;if(9==a.c[b]||10==a.c[b]||11==a.c[b]||12==a.c[b]||9==a.c[c]||10==a.c[c]||11==a.c[c]||12==a.c[c])continue;a.B[b]=0;a.B[c]=0;++a.t[d];BE(a)}1==a.B[b]&&1==a.B[c]&&(2==a.t[d]?a.t[d]=1:3==a.t[d]&&(a.t[d]=2),BE(a));4==a.t[d]&&(a.t[d]=1)}}
function gH(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 yE(a){var b;nH(a);b=a.t.length;a.L=y(I,s,-1,b,1);a.O=y(I,s,-1,b,1);BD(a);BE(a)}
function OE(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(I,s,-1,c,1),AG(a.c,b,a.c.length),a.c=b,b=y(I,s,-1,c,1),AG(a.B,b,a.B.length),a.B=b,b=y(I,s,-1,c,1),AG(a.y,b,a.y.length),a.y=b,b=y(I,s,-1,c,1),AG(a.e,b,a.e.length),a.e=b,b=y(Ks,m,1,c,0),AG(a.d,b,a.d.length),a.d=b,b=y(Ks,m,1,c,0),AG(a.p,b,a.p.length),a.p=b,b=y(yD,m,-1,c,1),AG(a.K,b,a.K.length),a.K=b,b=y(yD,m,-1,c,1),AG(a.N,b,a.N.length),a.N=b,b=zs([c,7]),AG(a.H,b,a.H.length),a.H=b,c=y(I,s,-1,c,1),AG(a.A,c,a.A.length),a.A=c);a.c[a.u]=
3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function bE(a,b,c,d,e,f,g){var j;j=N(M(WD(a.K[c]-d/2)));g||(j-=e-d);a=N(M(WD(a.N[c]-~~(f/2))));return new qz(j-1-b,a-b,e+1+2*b,f+2*b)}
function VE(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(I,s,-1,b,1),AG(a.I,c,a.I.length),a.I=c,c=y(I,s,-1,b,1),AG(a.J,c,a.J.length),a.J=c,c=y(I,s,-1,b,1),AG(a.t,c,a.t.length),a.t=c,c=y(I,s,-1,b,1),AG(a.C,c,a.C.length),a.C=c,c=y(I,s,-1,b,1),AG(a.L,c,a.L.length),a.L=c,c=y(I,s,-1,b,1),AG(a.O,c,a.O.length),a.O=c,b=y(Ks,m,1,b,0),AG(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
function EE(a,b){var c,d,e,f,g,j,h;if(0==a.u)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(XC(),aa);j+="JME 2013-10-12 "+new OG+"\n \n";j+=DE(a.u,3)+DE(a.v,3);j+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.u;++e)a.N[e]>g&&(g=a.N[e]),a.K[e]<c&&(c=a.K[e]);for(e=1;e<=a.u;++e){j+=aF(0.055999999999999994*(a.K[e]-c),10,4)+aF(0.055999999999999994*(g-a.N[e]),10,4)+aF(0,10,4);h=aE(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
j+=ba+h;d=0;0<a.B[e]&&4>a.B[e]?d=4-a.B[e]:0>a.B[e]&&-4<a.B[e]&&(d=4-a.B[e]);h=" 0"+DE(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.z;++d)if(a.r[d][0]==e){f=a.r[d][1];break}-1<f?h+=DE(f,3):h+=" 0";j+=h+" 0 0\n"}for(e=1;e<=a.v;++e)g=a.t[e],1==a.t[e]?g=1:oH(a,e)&&(g=2),c=DE(a.I[e],3)+DE(a.J[e],3),d=0,1==a.t[e]&&1==a.C[e]?d=1:1==a.t[e]&&2==a.C[e]&&(d=6),1==a.t[e]&&3==a.C[e]&&(d=1,c=DE(a.J[e],3)+DE(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=DE(a.J[e],3)+DE(a.I[e],3)),j+=c+DE(g,3)+DE(d,3)+" 0 0 0\n";
for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M CHG 1"+DE(e,4)+DE(a.B[e],4)+aa);return j+"M END\n"}
function cF(a){var b,c,d,e,f,g,j,h,n,o,r,q,u,v,D,E,J,Q,qb,V,L,fa,Ec,cg,vb,Md,Nd,Od,Va,Fc;r=y(I,s,-1,a.u+10,1);q=y(I,s,-1,a.u+10,1);n=y(I,s,-1,a.u+1,1);o=y(I,s,-1,7,1);vb=y(I,s,-1,a.u+1,1);v=y(pH,m,-1,a.u+1,2);D=y(pH,m,-1,a.v+1,2);fa=0;if(0==a.u)return l;lE(a,!0);cg=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){cg=!1;break}if(a.o.t&&cg){qH(a);WE(a);rH(a,D);sH(a,v,D);var Eb,td,gf,Zb,ye,ud,vd,eb,lI,Td,w,xa,Jm,Km,Ts,nf,Oa,Lm,Mm,Ic,Nm;Eb=y(I,s,-1,a.u+1,1);td=y(I,s,-1,a.u+1,1);eb=y(tH,m,-1,a.u+1,3);var Us=a.u,Om,
sh,Vs,og,Cj,Ge,of;Cj=y(tH,m,-1,Us+2,3);Ge=y(I,s,-1,100,1);of=5;og=0;Ge[0]=3;Cj[1]=kh;Cj[2]=lh;Vs=2;if(!(3>Us))for(;of<Ge[og]*Ge[og];){sh=0;for(Om=!0;Om&&sh<=og&&of>=Ge[sh]*Ge[sh];)0==of%Ge[sh]?Om=!1:++sh;if(Om){Cj[++Vs]=zt(of);if(Vs>=Us)break;og<Ge.length-1&&(++og,Ge[og]=of)}of+=2}for(w=1;w<=a.u;++w){for(xa=Mm=1;xa<=a.v;++xa)(a.I[xa]==w||a.J[xa]==w)&&(Mm*=a.i[xa]);Lm=a.c[w];18==Lm&&(Nm=a.p[w],ud=Nm.charCodeAt(0)-65+1,vd=0,1<Nm.length&&(vd=Nm.charCodeAt(1)-97),0>ud&&(ud=0),0>vd&&(vd=0),Lm=28*ud+vd);
nf=0;-2>a.B[w]?nf=1:-2==a.B[w]?nf=2:-1==a.B[w]?nf=3:1==a.B[w]?nf=4:2==a.B[w]?nf=5:2<a.B[w]&&(nf=6);Ic=1;eb[w]=zt(Mm);Ic*=126;eb[w]=ut(eb[w],zt(a.y[w]*Ic));Ic*=7;eb[w]=ut(eb[w],zt(nf*Ic));Ic*=7;eb[w]=ut(eb[w],zt(Lm*Ic));Ic*=783;eb[w]=ut(eb[w],zt(a.A[w]*Ic))}for(ye=0;!lH(a,Eb,eb);){Ts=!1;for(w=1;w<=a.u;++w)Eb[w]!=td[w]&&(td[w]=Eb[w],Ts=!0);if(Ts){for(w=1;w<=a.u;++w){eb[w]=jh;for(xa=1;xa<=a.A[w];++xa)eb[w]=Dt(eb[w],Cj[Eb[a.H[w][xa]]])}ye=0}else if(0<ye){for(w=1;w<=a.u;++w)eb[w]=jh;w=1;a:for(;w<=a.u-
1;++w)for(xa=w+1;xa<=a.u;++xa)if(Eb[w]==Eb[xa]){eb[w]=kh;break a}}else{for(w=1;w<=a.u;++w){eb[w]=jh;for(xa=1;xa<=a.A[w];++xa)gf=a.H[w][xa],eb[w]=Dt(eb[w],zt(a.c[gf]*a.i[hH(a,w,gf)]))}ye=1}lH(a,Eb,eb);for(w=1;w<=a.u;++w)eb[w]=zt(td[w]*a.u+Eb[w])}for(w=1;w<=a.u;++w)td[w]=Eb[w];for(Oa=1;Oa<=a.u;++Oa)for(w=1;w<=a.u;++w)if(td[w]==Oa){a.c[0]=a.c[w];a.B[0]=a.B[w];a.K[0]=a.K[w];a.N[0]=a.N[w];a.A[0]=a.A[w];a.c[w]=a.c[Oa];a.B[w]=a.B[Oa];a.K[w]=a.K[Oa];a.N[w]=a.N[Oa];a.A[w]=a.A[Oa];a.c[Oa]=a.c[0];a.B[Oa]=a.B[0];
a.K[Oa]=a.K[0];a.N[Oa]=a.N[0];a.A[Oa]=a.A[0];td[w]=td[Oa];td[Oa]=Oa;a.p[0]=a.p[w];a.p[w]=a.p[Oa];a.p[Oa]=a.p[0];a.e[0]=a.e[w];a.e[w]=a.e[Oa];a.e[Oa]=a.e[0];a.d[0]=a.d[w];a.d[w]=a.d[Oa];a.d[Oa]=a.d[0];a.y[0]=a.y[w];a.y[w]=a.y[Oa];a.y[Oa]=a.y[0];break}for(w=1;w<=a.z;++w)a.r[w][0]=Eb[a.r[w][0]];for(w=1;w<=a.v;++w)a.I[w]=Eb[a.I[w]],a.J[w]=Eb[a.J[w]],a.I[w]>a.J[w]&&(Td=a.I[w],a.I[w]=a.J[w],a.J[w]=Td,1==a.C[w]?a.C[w]=3:2==a.C[w]?a.C[w]=4:3==a.C[w]?a.C[w]=1:4==a.C[w]&&(a.C[w]=2));for(w=1;w<a.v;++w){Km=Jm=
a.u;Zb=0;for(xa=w;xa<=a.v;++xa)a.I[xa]<Jm?(Jm=a.I[xa],Km=a.J[xa],Zb=xa):a.I[xa]==Jm&&a.J[xa]<Km&&(Km=a.J[xa],Zb=xa);Td=a.I[w];a.I[w]=a.I[Zb];a.I[Zb]=Td;Td=a.J[w];a.J[w]=a.J[Zb];a.J[Zb]=Td;Td=a.t[w];a.t[w]=a.t[Zb];a.t[Zb]=Td;Td=a.C[w];a.C[w]=a.C[Zb];a.C[Zb]=Td;lI=a.f[w];a.f[w]=a.f[Zb];a.f[Zb]=lI}yE(a);BE(a);rH(a,D);sH(a,v,D)}else{rH(a,D);a.i=y(I,s,-1,a.v+1,1);for(u=1;u<=a.v;++u)a.i[u]=a.t[u]}c=1;a.b=y(I,s,-1,a.u+1,1);Fc=1;a.b[1]=1;for(V=0;;){L=0;for(u=1;u<=a.A[c];++u)if(g=a.H[c][u],0<a.b[g]){if(!(a.b[g]>
a.b[c])&&g!=vb[c]){Ec=!0;for(J=1;J<=fa;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Ec=!1;break}Ec&&(++fa,r[fa]=c,q[fa]=g)}}else o[++L]=g;if(0==L){if(Fc==a.u)break;c=n[V--]}else if(1==L)vb[o[1]]=c,c=o[1],a.b[c]=++Fc;else{n[++V]=c;e=0;for(u=1;u<=L;++u)if(h=hH(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=L;++u)if(h=hH(a,o[u],c),2==a.i[h]||3==a.i[h]){e=o[u];break}0==e&&(e=o[1]);vb[e]=c;c=e;a.b[e]=++Fc}}vb=y(I,s,-1,a.u+1,1);b=y(I,s,-1,a.u+1,1);Q=y(pH,m,-1,a.u+1,2);Md=y(pH,m,-1,a.u+1,2);f=Fc=V=0;for(u=
1;u<=a.u;++u)if(1==a.b[u]){c=u;break}a:for(;;){0<f&&(vb[c]=f);b[++Fc]=c;for(a.b[c]=0;;){L=e=0;qb=a.u+1;u=1;b:for(;u<=a.A[c];++u){g=a.H[c][u];for(E=1;E<=fa;++E)if(r[E]==g&&q[E]==c||r[E]==c&&q[E]==g)continue b;0<a.b[g]&&(++L,a.b[g]<qb&&(e=g,qb=a.b[g]))}if(0==e){if(0==V)break a;Md[c]=!0;c=n[V--]}else break}f=c;c=e;1<L&&(n[++V]=f,Q[e]=!0)}Nd=y(I,s,-1,a.v+1,1);Od=y(I,s,-1,a.u+1,1);if(a.o.Pb){var nI=vb,pM=fa,Ws,oI,th,He,Xs,Ys,Na,Dj,Zs;th=y(I,s,-1,a.u+1,1);for(Na=1;Na<=a.u;++Na)th[b[Na]]=Na;Xs=y(pH,m,-1,
a.v+1,2);for(Na=1;Na<=a.u;++Na)Ws=b[Na],oI=nI[Ws],He=hH(a,Ws,oI),0!=He&&(uH(a,He,th,Nd,D),Xs[He]=!0);for(Na=1;Na<=a.v;++Na)Xs[Na]||uH(a,Na,th,Nd,D);Na=1;a:for(;Na<=a.u;++Na)if(!(2>a.A[Na]||4<a.A[Na])){Ys=Zs=0;for(Dj=1;Dj<=a.A[Na];++Dj){He=hH(a,Na,a.H[Na][Dj]);if(5==a.i[He])continue a;1==a.t[He]&&0!=vH(a,He,Na)&&++Zs;2==a.t[He]&&(Ys=a.H[Na][Dj])}if(0!=Zs)if(0<Ys){var ja=a,qI=Na,pf=th,Xc=Od,kc=void 0,Ej=void 0,Jc=void 0,Ie=void 0,Kc=void 0,Pm=void 0,Qm=void 0,Rm=void 0,Ud=void 0,Yc=void 0,Zc=void 0,
$s=void 0,Fj=void 0,Vd=void 0,Gj=void 0,Je=void 0,Hj=void 0,at=void 0,Ij=void 0,Ke=void 0,rI=void 0,qf=void 0,sI=void 0,bt=void 0,Jj=void 0,rf=void 0,Zc=1,Ej=qI,kc=y(I,s,-1,ja.u+1,1);for(kc[1]=qI;;){$s=!1;for(Yc=1;Yc<=ja.A[Ej];++Yc)if(Jc=ja.H[Ej][Yc],!(Jc==kc[1]||Jc==kc[Zc-1]))if(Ie=hH(ja,Ej,Jc),2==ja.t[Ie]&&5!=ja.i[Ie]){Ej=kc[++Zc]=Jc;$s=!0;break}if(!$s)break}if(!(0==Zc%2||2>ja.A[kc[Zc]]||3<ja.A[kc[Zc]])){rf=kc[1];Kc=kc[~~((Zc+1)/2)];Ud=kc[Zc];qf=Ke=Je=Vd=0;bt=at=!1;for(Yc=1;Yc<=ja.A[rf];++Yc)Jc=
ja.H[rf][Yc],Ie=hH(ja,rf,Jc),1!=ja.t[Ie]||5==ja.i[Ie]||(0==Vd?Vd=Jc:Je=Jc);0<pf[Je]&&pf[Vd]>pf[Je]&&(Pm=Vd,Vd=Je,Je=Pm);Fj=Vd;0==Vd&&(Fj=Je,at=!0);for(Yc=1;Yc<=ja.A[Ud];++Yc)Jc=ja.H[Ud][Yc],Ie=hH(ja,Ud,Jc),1!=ja.t[Ie]||5==ja.i[Ie]||(0==Ke?Ke=Jc:qf=Jc);0<pf[qf]&&pf[Ke]>pf[qf]&&(Pm=Ke,Ke=qf,qf=Pm);Ij=Ke;0==Ke&&(Ij=qf,bt=!0);Gj=vH(ja,hH(ja,rf,Vd),rf);Hj=vH(ja,hH(ja,rf,Je),rf);rI=vH(ja,hH(ja,Ud,Ke),Ud);sI=vH(ja,hH(ja,Ud,qf),Ud);1<(0>Gj+Hj?-(Gj+Hj):Gj+Hj)||0!=rI||0!=sI?br(ja.o,"Bad stereoinfo on allene !"):
(Qm=ja.K[kc[Zc-1]]-ja.K[Ud],Rm=ja.N[kc[Zc-1]]-ja.N[Ud],Jj=Math.sqrt(Qm*Qm+Rm*Rm),0.001>Jj&&(Jj=0.001),0<(ja.N[Ij]-ja.N[kc[Zc-1]])*(Qm/Jj)-(ja.K[Ij]-ja.K[kc[Zc-1]])*(Rm/Jj)?Xc[Kc]=1:Xc[Kc]=-1,at&&(Xc[Kc]*=-1),bt&&(Xc[Kc]*=-1),Fj==Vd&&0>Gj&&(Xc[Kc]*=-1),Fj==Je&&0>Hj&&(Xc[Kc]*=-1),pf[Fj]>pf[Ij]&&(Xc[Kc]*=-1))}}else b:{var lc=a,mc=Na,qM=nI,rM=th,sM=r,tM=q,uM=pM,Sm=Od,Tm=void 0,$c=void 0,ct=void 0,uh=void 0,Aa=void 0,vh=void 0,xd=void 0,Kj=void 0,Wd=void 0,Ob=void 0,ha=void 0,Gb=void 0,Le=void 0,Um=void 0,
ad=void 0,oa=void 0,Vm=void 0,Gb=y(I,s,-1,4,1),Um=y(I,s,-1,4,1),wh=lc,Xd=mc,tI=rM,dt=qM,uI=sM,vI=tM,vM=uM,Hb=Gb,Lj=void 0,bd=void 0,Wm=void 0,Xm=void 0,et=void 0,Mj=void 0,Mj=-1;0<dt[Xd]&&(Hb[++Mj]=dt[Xd]);for(bd=1;bd<=vM;++bd)uI[bd]==Xd&&(Hb[++Mj]=vI[bd]),vI[bd]==Xd&&(Hb[++Mj]=uI[bd]);for(bd=Mj+1;bd<wh.A[Xd];++bd){et=wh.u+1;Wm=1;c:for(;Wm<=wh.A[Xd];++Wm){Lj=wh.H[Xd][Wm];for(Xm=0;Xm<bd;++Xm)if(Lj==Hb[Xm])continue c;tI[Lj]<et&&(et=tI[Lj],Hb[bd]=Lj)}}0==dt[Xd]&&0<wh.y[Xd]?(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=
Hb[0],Hb[0]=-1):0<wh.y[Xd]&&(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=-1);for(Aa=Kj=vh=uh=Vm=xd=Ob=0;4>Aa;++Aa)0>=Gb[Aa]||(Tm=hH(lc,mc,Gb[Aa]),Um[Aa]=vH(lc,Tm,mc),0<Um[Aa]?(++Ob,Vm=Gb[Aa],vh=Gb[Aa]):0>Um[Aa]?(++xd,uh=Gb[Aa],vh=Gb[Aa]):Kj=Gb[Aa]);Wd=Ob+xd;oa=y(I,s,-1,4,1);ad=0;if(3==lc.A[mc]){if(1==Ob&&1==xd||3==Wd&&0<Ob&&0<xd){br(lc.o,"Error in C3H stereospecification !");break b}Le=Gb[0];1==Wd?Le=vh:2==Wd&&(Le=Kj);ha=fH(lc,mc,Le,Gb);oa[0]=vh;oa[1]=-1;oa[2]=ha[2];oa[3]=ha[1];0<Ob?ad=1:ad=-1}else if(4==lc.A[mc])if(1==
Wd)ha=fH(lc,mc,vh,Gb),oa[0]=ha[0],oa[1]=ha[3],oa[2]=ha[2],oa[3]=ha[1],0<Ob?ad=1:ad=-1;else{Le=Gb[0];1<Kj&&(Le=Kj);1==Ob?Le=Vm:1==xd&&(Le=uh);ha=fH(lc,mc,Le,Gb);$c=y(I,s,-1,4,1);for(Aa=0;4>Aa;++Aa)Tm=hH(lc,mc,ha[Aa]),$c[Aa]=vH(lc,Tm,mc);if(4==Wd){if(0==Ob||0==xd){br(lc.o,"Error in C4 stereospecification !");break b}if(1==Ob||1==xd)oa[0]=ha[0],oa[1]=ha[3],oa[2]=ha[2],oa[3]=ha[1],ad=$c[0];else{for(Aa=0;4>Aa;++Aa)-1==$c[Aa]&&($c[Aa]=0);Wd=2}}else if(3==Wd)if(3==Ob||3==xd)oa[0]=ha[0],oa[1]=ha[3],oa[2]=
ha[2],oa[3]=ha[1],0<Ob?ad=-1:ad=1;else{1==Ob?Ob=ct=1:xd=ct=-1;for(Aa=0;4>Aa;++Aa)$c[Aa]==ct&&($c[Aa]=0);Wd=2}if(2==Wd)if(1==Ob&&1==xd)ha[1]==uh?(ha[1]=ha[2],ha[2]=ha[3]):ha[2]==uh&&(ha[2]=ha[3]),oa[0]=Vm,oa[1]=uh,oa[2]=ha[2],oa[3]=ha[1],ad=1;else{if($c[0]==$c[1]||$c[1]==$c[2]){br(lc.o,"Error in C4 stereospecification ! 2/0r");break b}0!=$c[0]?(oa[0]=ha[0],oa[1]=ha[2],oa[2]=ha[1],oa[3]=ha[3]):(oa[0]=ha[1],oa[1]=ha[3],oa[2]=ha[2],oa[3]=ha[0]);1<Ob?ad=1:ad=-1}}var W=oa,Nj=Gb,mb=void 0;Nj[0]==W[1]?(mb=
W[0],W[0]=W[1],W[1]=mb,mb=W[2],W[2]=W[3],W[3]=mb):Nj[0]==W[2]?(mb=W[2],W[2]=W[0],W[0]=mb,mb=W[1],W[1]=W[3],W[3]=mb):Nj[0]==W[3]&&(mb=W[3],W[3]=W[0],W[0]=mb,mb=W[1],W[1]=W[2],W[2]=mb);Nj[1]==W[2]?(mb=W[1],W[1]=W[2],W[2]=mb,mb=W[2],W[2]=W[3],W[3]=mb):Nj[1]==W[3]&&(mb=W[1],W[1]=W[3],W[3]=mb,mb=W[2],W[2]=W[3],W[3]=mb);oa[2]==Gb[2]?Sm[mc]=1:oa[2]==Gb[3]?Sm[mc]=-1:br(lc.o,"Error in stereoprocessing ! - t30");Sm[mc]*=ad}}}Va=new zG;j=y(I,s,-1,a.u+1,1);for(u=1;u<=a.u;++u)j[b[u]]=u;for(u=1;u<=a.u;++u){c=b[u];
Q[c]&&(Va.b.b+=ua);0<vb[u]&&wH(a,c,vb[c],Va,Nd);var xh=v[c],Ib=void 0,Oj=void 0,yh=void 0,T=void 0,T=Sc,Ib=!1;0!=a.B[c]&&(Ib=!0);0!=Od[c]&&(Ib=!0);yh=-1;for(Oj=1;Oj<=a.z;++Oj)if(a.r[Oj][0]==c){yh=a.r[Oj][1];break}-1<yh&&(Ib=!0);a.o.Ob&&0<a.e[c]&&(Ib=!0,yh=1);switch(a.c[c]){case 2:T=Bb;break;case 3:xh?T="c":T=Fb;break;case 4:xh?(T=Df,0<a.y[c]&&(Ib=!0)):T=ic;break;case 5:xh?T="o":T=sc;break;case 7:xh?(T="p",0<a.y[c]&&(Ib=!0)):T=uc;break;case 8:xh?T=qg:T=Hc;break;case 13:xh?T=tg:T=Mc;Ib=!0;break;case 6:T=
Nc;Ib=!0;break;case 9:T=Tb;break;case 10:T=Mb;break;case 11:T=Db;break;case 12:T=ac;break;case 1:T=Xb;Ib=!0;break;case 19:T=vc;Ib=!0;break;case 20:T=wc;Ib=!0;break;case 21:T=xc;Ib=!0;break;case 22:T=yc;Ib=!0;break;case 18:Ib=!0,T=a.p[c],(G(T,wa)||G(T,ed)||G(T,xb))&&(Ib=!1)}Ib&&(T=Tc+T,1==Od[c]?T+=wb:-1==Od[c]&&(T+="@@"),1==a.y[c]?T+=Xb:1<a.y[c]&&(T+=Xb+a.y[c]),0!=a.B[c]&&(0<a.B[c]?T+=ya:T+=Ca,1<Wj(a.B[c])&&(T+=Wj(a.B[c]))),-1<yh&&(T+=nb+yh),T+=Wc);xn(Va.b,T);for(E=1;E<=fa;++E)if(r[E]==c||q[E]==c)d=
q[E],d==c&&(d=r[E]),j[c]<j[d]&&wH(a,r[E],q[E],Va,Nd),9<E&&(Va.b.b+="%"),wn(Va,l+(new S(E)).b);Md[c]&&(Va.b.b+=va)}return Va.b.b}function bF(a){a=new lD(a);yE(a);return a}
function zE(a,b){var c,d,e,f;f=0;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],c!=b&&d!=b&&(++f,a.I[f]=c,c>b&&--a.I[f],a.J[f]=d,d>b&&--a.J[f],a.t[f]=a.t[e],a.C[f]=a.C[e],a.L[f]=a.L[e],a.O[f]=a.O[e],a.f[f]=a.f[e]);a.v=f;for(e=b;e<a.u;++e){a.c[e]=a.c[e+1];a.B[e]=a.B[e+1];a.K[e]=a.K[e+1];a.N[e]=a.N[e+1];a.y[e]=a.y[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.p[e]=a.p[e+1];for(f=1;f<=a.A[e];++f)a.H[e][f]=a.H[e+1][f]}--a.u;if(0==a.u)CD(a.o);else{for(e=1;e<=a.u;++e){d=0;for(f=1;f<=a.A[e];++f)c=a.H[e][f],
c==b?++a.y[e]:(c>b&&--c,a.H[e][++d]=c);a.A[e]=d}e=1;a:for(;e<=a.z;++e)if(a.r[e][0]==b){for(f=e;f<a.z;++f)a.r[f][0]=a.r[f+1][0],a.r[f][1]=a.r[f+1][1];--a.z;break a}for(e=1;e<=a.z;++e)a.r[e][0]>b&&--a.r[e][0]}}
function AE(a,b){var c,d,e,f;c=a.I[b];d=a.J[b];for(e=b;e<a.v;++e)a.I[e]=a.I[e+1],a.J[e]=a.J[e+1],a.t[e]=a.t[e+1],a.C[e]=a.C[e+1],a.L[e]=a.L[e+1],a.O[e]=a.O[e+1],a.f[e]=a.f[e+1];--a.v;f=0;for(e=1;e<=a.A[c];++e)a.H[c][e]!=d&&(a.H[c][++f]=a.H[c][e]);a.A[c]=f;f=0;for(e=1;e<=a.A[d];++e)a.H[d][e]!=c&&(a.H[d][++f]=a.H[d][e]);a.A[d]=f;c<d&&(f=c,c=d,d=f);0==a.A[c]&&zE(a,c);0==a.A[d]&&zE(a,d)}
function qH(a){var b,c,d;if(!a.o.O){c=a.u;a:for(;1<=c;--c)if(d=a.H[c][1],1==a.c[c]&&1==a.A[c]&&0==a.B[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.z;++b)if(a.r[b][0]==c)continue a;b=hH(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&zE(a,c)}}}function nH(a){var b;b=a.c.length;a.H=zs([b,7]);a.A=y(I,s,-1,b,1);for(b=1;b<=a.u;++b)a.A[b]=0;for(b=1;b<=a.v;++b)6>a.A[a.I[b]]&&(a.H[a.I[b]][++a.A[a.I[b]]]=a.J[b]),6>a.A[a.J[b]]&&(a.H[a.J[b]][++a.A[a.J[b]]]=a.I[b])}
function sH(a,b,c){var d,e,f,g,j,h,n,o,r;a.i=y(I,s,-1,a.v+1,1);r=y(pH,m,-1,a.u+1,2);for(h=1;h<=a.u;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[hH(a,h,a.H[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.A[h]+a.y[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:r[h]=!0;break;case 18:0==a.p[h].indexOf(xb)?r[h]=!1:r[h]=!0}}if(a.n){var q;d=y(pH,m,-1,a.u+1,2);e=!1;for(h=1;h<=a.v;++h)f=a.I[h],g=a.J[h],d[f]=!0,d[g]=!0,(18==a.c[f]||18==a.c[g])&&(e=!0);if(e){h=1;a:for(;h<=a.v;++h)if(c[h]){f=
a.I[h];g=a.J[h];e=y(pH,m,-1,a.u+1,2);for(n=1;n<=a.A[f];++n)j=a.H[f][n],j!=g&&d[j]&&(e[j]=!0);for(q=!1;;){for(n=1;n<=a.u;++n){q=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.A[n];++o){j=a.H[n][o];if(j==g){for(f=1;f<=a.u;++f)e[f]&&(5==a.c[f]&&(a.c[f]=18,a.p[f]="#8"),4==a.c[f]&&(a.c[f]=18,a.p[f]="#7"),8==a.c[f]&&(a.c[f]=18,a.p[f]="#16"));continue a}!e[j]&&d[j]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:oH(a,j)?a.i[j]=2:3==a.t[j]&&(a.i[j]=3);j=1;a:for(;j<=a.v;++j)if(c[j]&&(f=a.I[j],
g=a.J[j],r[f]&&r[g])){d=y(pH,m,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&r[h]&&h!=f)for(n=1;n<=a.A[h];++n){e=a.H[h][n];if(e==g){b[f]=!0;b[g]=!0;a.i[j]=5;continue a}!d[e]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function BD(a){var b,c,d;for(d=1;d<=a.v;++d)b=a.I[d],c=a.J[d],a.L[d]=N(M(WD((a.K[b]+a.K[c])/2))),a.O[d]=N(M(WD((a.N[b]+a.N[c])/2)))}function rH(a,b){var c;for(c=1;c<=a.v;++c)cE(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
function aE(a,b){var c;c=(XC(),cD)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function oH(a,b){return 2==a.t[b]?!0:!1}function cE(a,b,c){var d,e,f,g;g=1;a.b=y(I,s,-1,a.u+1,1);for(d=1;d<=a.u;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.A[b];++d)a.H[b][d]!=c&&(a.b[a.H[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.u;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.A[d];++e)0==a.b[a.H[d][e]]&&(a.b[a.H[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
function ME(a){var b,c;a.o.S=!0;if(a.o.Ob)a.k=-1,0==a.e[a.E]?a.e[a.E]=4:a.e[a.E]=0;else{for(b=1;b<=a.z;++b)if(a.E==a.r[b][0]){if(-1==a.o.z){for(;b<a.z;++b)a.r[b][0]=a.r[b+1][0],a.r[b][1]=a.r[b+1][1];--a.z}else c=a.o.z,a.o.r&&(a.o.hb||++a.s,c=a.s),a.r[b][1]=c;return}b=a.r.length;++a.z>b-1&&(b=zs([b+5,2]),AG(a.r,b,a.r.length),a.r=b);a.r[a.z][0]=a.E;c=a.o.z;a.o.r&&(a.o.hb||++a.s,c=a.s);a.r[a.z][1]=c}}function wE(a){var b;a.z=0;a.s=0;cF(a);for(b=1;b<=a.u;++b)a.E=b,ME(a);a.E=0}
function xE(a){var b,c;b=y(yD,m,-1,4,1);zD(a,b);c=a.o.D.c;a.o.A||(c-=a.o.Z);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function sD(a,b){var c,d,e,f,g,j,h,n;c=y(yD,m,-1,4,1);zD(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.u;++g)h=a.K[g]*f+a.N[g]*j,n=-a.K[g]*j+a.N[g]*f,a.K[g]=h,a.N[g]=n;zD(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
function ZE(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.v;++d)b=a.K[a.I[d]]-a.K[a.J[d]],c=a.N[a.I[d]]-a.N[a.J[d]],f+=Math.sqrt(b*b+c*c);0<a.v?(f/=a.v,e=25*a.o.C/f):1<a.u&&(e=75*a.o.C/Math.sqrt((a.K[1]-a.K[2])*(a.K[1]-a.K[2])+(a.N[1]-a.N[2])*(a.N[1]-a.N[2])));for(d=1;d<=a.u;++d)a.K[d]*=e,a.N[d]*=e}
function CE(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Tc)&&tG(c,Wc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.p[b]=c,a.y[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(pb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(nb);e=c.indexOf(Xb);g=Vj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){j=lv(c,d+1);try{a.o.z=wC(j,10)}catch(h){if(h=Pi(h),A(h,79))a.o.z=0;else throw h;}a.E=b;ME(a);c=c.substr(0,d-0);a.E=0}if(f)a.p[b]=c,a.c[b]=18,a.y[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
g-0));a.c[b]=G(d,Fb)?3:G(d,Bb)?2:G(d,ic)?4:G(d,sc)?5:G(d,uc)?7:G(d,Hc)?8:G(d,Tb)?9:G(d,Mb)?10:G(d,Db)?11:G(d,ac)?12:G(d,Xb)?1:G(d,Mc)?13:G(d,Nc)?6:G(d,vc)?19:G(d,wc)?20:G(d,xc)?21:G(d,yc)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=sG(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=sG(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=sG(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=sG(c,g++);for(;45==e;)--d,e=sG(c,g++)}a.B[b]=d}}}
function kE(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new SC(b);try{for(;b.k=LC(b,b.b),b.k<b.j;)d=iE(wC(OC(b),10)).b,c=e=iE(wC(OC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Pi(f),A(f,79))un(f);else throw f;}}function wH(a,b,c,d,e){b=hH(a,b,c);5!=a.i[b]&&oH(a,b)?d.b.b+=sb:3==a.t[b]?d.b.b+=la:9==a.t[b]?(e=ub,a=a.f[b],null!=a&&(e=a),xn(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Vc)}
function NE(a,b){var c,d;if(1==a.t[b])if(c=a.I[b],d=a.J[b],2>a.A[c]&&2>a.A[d])a.C[b]=0,br(a.o,"Stereomarking meaningless on this bond !");else switch(a.C[b]){case 0:a.A[d]<=a.A[c]?a.C[b]=1:a.C[b]=3;break;case 1:a.C[b]=2;break;case 2:2<a.A[d]?a.C[b]=3:a.C[b]=1;break;case 3:a.C[b]=4;break;case 4:2<a.A[c]?a.C[b]=1:a.C[b]=3}else 2==a.t[b]?10==a.C[b]?a.C[b]=0:a.C[b]=10:br(a.o,"Stereomarking allowed only on single and double bonds!")}
function uH(a,b,c,d,e){var f,g,j,h,n,o,r,q,u;if(!(2!=a.t[b]||5==a.i[b])&&(10==a.C[b]||a.o.q&&!e[b]))if(e=a.I[b],f=a.J[b],!(2>a.A[e]||2>a.A[f]||3<a.A[e]||3<a.A[f])){c[e]>c[f]&&(g=e,e=f,f=g);r=o=b=0;q=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=hH(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=hH(a,e,r),0!=d[h]?b=r:1==a.t[h]&&5!=a.i[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
r=j,j=g);h=hH(a,f,r);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=r);0==o&&(h=hH(a,f,j),1==a.t[h]&&5!=a.i[h]&&(o=j));if(!(0==b||0==o))if(h=a.K[f]-a.K[e],g=a.N[f]-a.N[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,r=(a.N[b]-a.N[e])*h-(a.K[b]-a.K[e])*g,u=(a.N[o]-a.N[e])*h-(a.K[o]-a.K[e])*g,2>(0>=r?0-r:r)||2>(0>=u?0-u:u))br(a.o,"Not unique E/Z geometry !");else{j=hH(a,b,e);f=hH(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.A[b];++n)if(g=a.H[b][n],g!=e&&(h=hH(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 mH(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=hH(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(oH(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function vH(a,b,c){var d;d=a.C[b];return 1>d||4<d?0:1==d&&a.I[b]==c?1:2==d&&a.I[b]==c?-1:3==d&&a.J[b]==c?1:4==d&&a.J[b]==c?-1:0}
function BE(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=mH(c,d);if(-1==e)c.y[d]=0;else{switch(c.c[d]){case 1:2==e?c.B[d]=1:c.B[d]=0;c.y[d]=0;break;case 2:3==e||5==e?(c.y[d]=0,c.B[d]=0):3>e?c.y[d]=3-e-c.B[d]:4==e?(c.B[d]=-1,c.y[d]=0):5<e&&(c.B[d]=e-5,c.y[d]=0);break;case 3:case 6:4>e?0<c.B[d]?c.y[d]=2-e+c.B[d]:0>c.B[d]?c.y[d]=2-e-c.B[d]:c.y[d]=4-e:(c.B[d]=e-4,c.y[d]=4-e+c.B[d]);break;case 4:case 7:3>e?c.y[d]=3-e+c.B[d]:3==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:(c.B[d]=
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0}0>c.y[d]&&(c.y[d]=0)}}}function DD(a){eH(this);this.o=a;this.z=this.v=this.u=0}
function jE(a,b){var c,d,e,f,g,j,h;DD.call(this,a);f=l;j=gE(b);if(null!=j){h=new RC(b,j,!0);for(e=1;4>=e;++e)f=hE(h,j);g=iE(wC(go(f.substr(0,3)),10)).b;c=iE(wC(go(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)OE(this),f=hE(h,j),this.K[e]=(new pG(mG(go(f.substr(0,10))))).b,this.N[e]=-(new pG(mG(go(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=go(f.substr(31,d-31)),CE(this,e,d),62<=f.length&&(f=go(f.substr(60,3)),0<f.length&&(f=iE(wC(f,10)).b,0<f&&(this.E=e,a.z=f,ME(this),this.E=0)));for(e=1;e<=c;++e)VE(this),
f=hE(h,j),this.I[e]=iE(wC(go(f.substr(0,3)),10)).b,this.J[e]=iE(wC(go(f.substr(3,3)),10)).b,g=iE(wC(go(f.substr(6,3)),10)).b,1==g?this.t[e]=1:2==g?this.t[e]=2:3==g?this.t[e]=3:this.t[e]=9,d=0,11<f.length&&(d=iE(wC(go(f.substr(9,3)),10)).b),1==g&&1==d&&(this.t[e]=1,this.C[e]=1),1==g&&6==d&&(this.t[e]=1,this.C[e]=2);nH(this);ZE(this);AD(this);for(yE(this);(h.k=LC(h,h.b),h.k<h.j)&&!(null==(f=OC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new QC(f);OC(g);OC(g);j=iE(wC(OC(g),10)).b;
for(e=1;e<=j;++e)c=iE(wC(OC(g),10)).b,this.B[c]=iE(wC(OC(g),10)).b}if(0==f.indexOf("M APO")){g=new QC(f);OC(g);OC(g);j=iE(wC(OC(g),10)).b;for(e=1;e<=j;++e)c=iE(wC(OC(g),10)).b,f=iE(wC(OC(g),10)).b,this.E=c,Y(this,0),CE(this,this.u,vc+f),this.E=0}}qH(this);yE(this)}}
function fF(a,b){var c,d,e,f,g;DD.call(this,a);0==b.indexOf(da)&&(b=b.substr(1,b.length-1));tG(b,da)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new QC(b);d=iE(wC(OC(f),10)).b;e=iE(wC(OC(f),10)).b;for(c=1;c<=d;++c)g=OC(f),OE(this),CE(this,this.u,g),this.K[c]=(new pG(mG(OC(f)))).b,this.N[c]=-(new pG(mG(OC(f)))).b;for(c=1;c<=e;++c)if(VE(this),this.I[c]=iE(wC(OC(f),10)).b,this.J[c]=iE(wC(OC(f),10)).b,this.t[c]=iE(wC(OC(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
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function mE(a,b,c){var d,e,f;DD.call(this,a);f=y(I,s,-1,b.u+1,1);for(a=1;a<=b.u;++a)b.b[a]==c&&(OE(this),this.c[this.u]=b.c[a],this.K[this.u]=b.K[a],this.N[this.u]=b.N[a],this.B[this.u]=b.B[a],this.y[this.u]=b.y[a],this.e[this.u]=b.e[a],this.d[this.u]=b.d[a],this.p[this.u]=b.p[a],f[a]=this.u);for(a=1;a<=b.v;++a)if(d=b.I[a],e=b.J[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))VE(this),this.t[this.v]=b.t[a],this.C[this.v]=b.C[a],this.I[this.v]=f[d],this.J[this.v]=f[e],this.f[this.v]=b.f[a];for(a=
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function FE(a,b,c){var d,e,f,g,j;DD.call(this,a);for(a=1;a<=c;++a)this.u+=b[a].u,this.v+=b[a].v,this.z+=b[a].z;this.c=y(I,s,-1,this.u+1,1);this.B=y(I,s,-1,this.u+1,1);this.y=y(I,s,-1,this.u+1,1);this.e=y(I,s,-1,this.u+1,1);this.d=y(Ks,m,1,this.u+1,0);this.K=y(yD,m,-1,this.u+1,1);this.N=y(yD,m,-1,this.u+1,1);this.p=y(Ks,m,1,this.u+1,0);this.I=y(I,s,-1,this.v+1,1);this.J=y(I,s,-1,this.v+1,1);this.t=y(I,s,-1,this.v+1,1);this.f=y(Ks,m,1,this.v+1,0);this.C=y(I,s,-1,this.v+1,1);this.r=zs([this.z+1,2]);
f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].u;++d)++e,this.c[e]=b[a].c[d],this.K[e]=b[a].K[d],this.N[e]=b[a].N[d],this.B[e]=b[a].B[d],this.y[e]=b[a].y[d],this.e[e]=b[a].e[d],this.d[e]=b[a].d[d],this.p[e]=b[a].p[d];for(d=1;d<=b[a].v;++d)++g,this.t[g]=b[a].t[d],this.C[g]=b[a].C[d],this.I[g]=b[a].I[d]+f,this.J[g]=b[a].J[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].z;++d)++j,this.r[j][0]=b[a].r[d][0]+f,this.r[j][1]=b[a].r[d][1];f=e}yE(this);AD(this)}
function lD(a){var b;eH(this);this.o=a.o;this.u=a.u;this.v=a.v;this.z=a.z;this.c=y(I,s,-1,this.u+1,1);AG(a.c,this.c,this.u+1);this.B=y(I,s,-1,this.u+1,1);AG(a.B,this.B,this.u+1);this.y=y(I,s,-1,this.u+1,1);AG(a.y,this.y,this.u+1);this.e=y(I,s,-1,this.u+1,1);AG(a.e,this.e,this.u+1);this.d=y(Ks,m,1,this.u+1,0);AG(a.d,this.d,this.u+1);this.K=y(yD,m,-1,this.u+1,1);AG(a.K,this.K,this.u+1);this.N=y(yD,m,-1,this.u+1,1);AG(a.N,this.N,this.u+1);this.p=y(Ks,m,1,this.u+1,0);AG(a.p,this.p,this.u+1);this.I=y(I,
s,-1,this.v+1,1);AG(a.I,this.I,this.v+1);this.J=y(I,s,-1,this.v+1,1);AG(a.J,this.J,this.v+1);this.t=y(I,s,-1,this.v+1,1);AG(a.t,this.t,this.v+1);this.f=y(Ks,m,1,this.v+1,0);AG(a.f,this.f,this.v+1);this.C=y(I,s,-1,this.v+1,1);AG(a.C,this.C,this.v+1);this.r=zs([this.z+1,2]);for(b=1;b<=this.z;++b)this.r[b][0]=a.r[b][0],this.r[b][1]=a.r[b][1];this.k=a.k}
function aF(a,b,c){var d,e,f;if(0==c)return DE(K(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=N(M(WD(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new pG(a)).b;d=ho(e,io(46));0>d&&(e+=Ya,d=ho(e,io(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=bb;if(0==b)return e;e.length>b&&(e=ub);c=l;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function gE(a){var b;b=new RC(a,aa,!0);if(4<KC(b))return aa;b=new RC(a,gh,!0);return 4<KC(b)?gh:null}
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