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function kG(a,b,c,d){var e,f,g,i,h,l;e=100*d+c;g=(c-1)*(a.Y+a.S);f=(d-1)*(a.Y+a.S);1==c&&2<d&&(f-=2*a.Y);X(b,qE);a.nb?(e==a.c&&X(b,xB(qE)),XB(b,g,f,a.Y,a.Y),X(b,(jB(),oB)),lG(b,g,f,a.Y-1,a.Y-1)):e==a.c?WB(b,g+1,f+1,a.Y,a.Y,!1):WB(b,g,f,a.Y,a.Y,!0);if(!(1301==e&&!a.Ab||107==e&&!a.yb))if(201!=e||a.Jb)if(103!=e||a.ib)if(!(105==e&&!a.sb&&!a.q)&&(109!=e||a.Bb))if(c=~~(a.Y/4),3>d)switch(X(b,(jB(),pB)),e){case 101:X(b,sB);c=g+3;e=f+3;d=a.Y-6;i=a.Y-6;mG(b,!0);nG(b,oG(b,c,e,d,i));X(b,pB);c=g+3;e=f+3;d=a.Y-
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l,h+2*e,l);X(b,pB);break;case 107:X(b,rB);XB(b,g+4,f+4,a.Y-8,a.Y-8);X(b,pB);lG(b,g+4,f+4,a.Y-8,a.Y-8);pG(b,g+6,f+6,a.Y-11,a.Y-12,-35,-110);XB(b,g+9,f+9,2,4);XB(b,g+a.Y-10,f+9,2,4);break;case 108:c=~~(a.Y/4);Z(b,g+c,f+a.Y-c,g+a.Y-c,f+c);c=~~(a.Y/2)-c;e=f+~~(2*a.Y/3);g+=~~(a.Y/2);Z(b,g,e,g+c,e);a=f+~~(a.Y/3);f=g-c;Z(b,f,a,g,a);f=~~((f+g)/2);a-=~~(c/2);Z(b,f,a,f,a+c);break;case 110:qG(b,g,f,a.Y,!0);break;case 111:qG(b,g,f,a.Y,!1);break;case 109:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Z(b,g+a.Y-c,f+
~~(a.Y/2),g+a.Y-~~(3*c/2),f+~~(a.Y/2)+~~(c/2));Z(b,g+a.Y-c,f+~~(a.Y/2),g+a.Y-~~(3*c/2),f+~~(a.Y/2)-~~(c/2));break;case 102:X(b,kB);XB(b,g+3,f+5,a.Y-7,a.Y-11);X(b,pB);lG(b,g+3,f+5,a.Y-7,a.Y-11);break;case 103:X(b,qE);a.ob&&WB(b,g+1,f+1,a.Y,a.Y,!1);X(b,pB);rG(a,b,g,f,"NEW");break;case 106:X(b,qB);Z(b,g+7,f+7,g+a.Y-7,f+a.Y-7);Z(b,g+8,f+7,g+a.Y-6,f+a.Y-7);Z(b,g+7,f+a.Y-7,g+a.Y-7,f+7);Z(b,g+8,f+a.Y-7,g+a.Y-6,f+7);X(b,pB);Z(b,g+c,f+~~(a.Y/2),g+12,f+~~(a.Y/2));rG(a,b,g+6,f,uc);break;case 104:X(b,qB);Z(b,
g+7,f+7,g+a.Y-7,f+a.Y-7);Z(b,g+8,f+7,g+a.Y-6,f+a.Y-7);Z(b,g+7,f+a.Y-7,g+a.Y-7,f+7);Z(b,g+8,f+a.Y-7,g+a.Y-6,f+7);X(b,pB);break;case 105:a.Ib?(X(b,uB),Z(b,g+11,f+5,g+9,f+9),Z(b,g+9,f+9,g+4,f+9),Z(b,g+4,f+9,g+8,f+12),Z(b,g+8,f+12,g+6,f+18),Z(b,g+6,f+18,g+11,f+15),Z(b,g+12,f+5,g+14,f+9),Z(b,g+14,f+9,g+19,f+9),Z(b,g+19,f+9,g+15,f+12),Z(b,g+15,f+12,g+17,f+18),Z(b,g+17,f+18,g+12,f+15),X(b,pB)):rG(a,b,g,f,"123");break;case 113:X(b,vB);c=a.Y-8;e=g+~~((a.Y-c)/2);d=f+~~((a.Y-c)/2);XB(b,e,d,c,c);X(b,pB);sG(a,
b,g,f,kB,"i");break;case 201:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)+2);Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2)-2);Z(b,g+a.Y-c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)-2);break;case 202:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));break;case 203:Z(b,g+c,f+~~(a.Y/2)-2,g+a.Y-c,f+~~(a.Y/2)-2);Z(b,g+c,f+~~(a.Y/2)+2,g+a.Y-c,f+~~(a.Y/2)+2);break;case 204:Z(b,g+c,f+~~(a.Y/2),g+a.Y-c,f+~~(a.Y/2));Z(b,g+c,f+~~(a.Y/2)-3,g+a.Y-c,f+~~(a.Y/2)-3);Z(b,g+c,f+~~(a.Y/2)+3,g+a.Y-c,f+~~(a.Y/2)+3);break;case 205:Z(b,g+~~(c/2),f+
2*c+~~(c/3),g+3*~~(c/2),f+2*c-~~(c/3));Z(b,g+3*~~(c/2),f+2*c-~~(c/3),g+5*~~(c/2),f+2*c+~~(c/3));Z(b,g+5*~~(c/2),f+2*c+~~(c/3),g+7*~~(c/2),f+2*c-~~(c/3));break;case 206:tG(a,b,g,f+2,3);break;case 207:tG(a,b,g,f,4);break;case 208:tG(a,b,g,f,5);break;case 209:tG(a,b,g,f,1);break;case 210:tG(a,b,g,f,6);break;case 211:tG(a,b,g,f,7);break;case 212:tG(a,b,g,f,8);break;case 213:rG(a,b,g,f,"FG"),a.F=new lC(g,f)}else c=3,301==e?c=3:401==e?c=4:501==e?c=5:601==e?c=8:701==e?c=9:801==e?c=10:901==e?c=11:1001==e?
c=12:1101==e?c=7:1201==e?c=18:1301==e&&(c=19),null!=hE[c]&&sG(a,b,g,f,gE[c],hE[c])}function uG(a){var b,c,d;a.jb&&(null==a.J&&(a.J=j),d=a.I.b,c=a.C.c-a.Y,b=a.Y,X(d,qE),XB(d,0,0,c,b),a.nb?(X(d,(jB(),oB)),lG(d,-1,0,c,b-1)):(X(d,RF),Z(d,0,0,c-1-2,0),X(d,xB(qE)),Z(d,0,b-1,c-1,b-1),Z(d,c-1,0,c-1,b-1)),vG(d,a.X),X(d,(jB(),pB)),-1!=a.J.toLowerCase().indexOf(me)&&X(d,qB),wG(d,a.J,10,15),xG(a.Ob,a.I,a.Y,a.C.b-a.Y))}
function yG(a){var b,c,d,e;if(a.kb){d=a.Q.b;c=a.Y;b=a.C.b-2*a.Y-a.S;X(d,qE);XB(d,0,0,c,b);a.nb?(X(d,(jB(),oB)),Z(d,0,b-1,c,b-1),e=cE*(a.Y+a.S)+2,Z(d,0,e,c,e),Z(d,0,e,0,b),Z(d,a.Y-1,e,a.Y-1,b-a.Y)):(X(d,RF),Z(d,0,0,0,b-1),Z(d,0,cE*a.Y,b-1,cE*a.Y),X(d,xB(qE)),Z(d,c-1,0,c-1,b-1-a.Y),Z(d,0,b-1,c-1,b-1));for(b=3;b<=cE+2;++b)kG(a,d,1,b);xG(a.Ob,a.Q,0,2*a.Y+a.S)}}
function zG(a){var b,c,d,e;if(a.lb){e=a.cb.b;c=a.C.c-a.Y;b=a.C.b-3*a.Y-a.S;X(e,a.t);XB(e,0,0,c,b);d=a.db?(tC(),wC):(tC(),yC);if((tC(),uC)==(tC(),uC))d==wC?e.b=j:e.b=Bg;d=new IA(a.eb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ga);for(d=1;d<=a.tb;++d){var f=a.fb[d],g=e,i=void 0,h=void 0,l=void 0,m=void 0,o=void 0,n=l=void 0,q=void 0,w=void 0,G=w=o=m=void 0,A=n=void 0,J=m=q=o=i=void 0,O=m=i=void 0,Y=h=o=h=void 0,da=w=A=void 0,M=da=q=n=l=A=m=q=G=J=n=void 0,M=h=n=o=o=J=M=Y=i=O=O=G=Y=n=n=O=Y=void 0,w=A=1,l=
2,da=3;f.w&&(hG(f),eG(f.n,1,f.n.tb,0),f.w=!1);1!=f.n.B&&(l*=f.n.B,da*=f.n.B,i=1,0.7>f.n.B&&(i=1.2),i=I(13*f.n.B*i),f.n.k=new KB(Yb,0,i),f.n.n=new AC((Gq(),f.n.k)));f.n.A&&(X(g,(jB(),pB)),lG(g,0,0,f.n.C.c-1,f.n.C.b-1));if(0!=f.t){if(-1==f.k){m=L(K(Math.round(12*l)));for(i=1;i<=f.t;++i)0<f.e[i]&&7>f.e[i]&&(X(g,(PF(),TF)[f.e[i]]),h=g,o=I(f.J[i]-m/2),O=I(f.M[i]-m/2),Y=M=m,mG(h,!0),nG(h,oG(h,o,O,M,Y)));for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],0!=f.e[h]&&f.e[h]==f.e[m]&&(X(g,(PF(),TF)[f.e[h]]),n=f.J[m]-f.J[h],
A=f.M[m]-f.M[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=3*da*A,n=3*da*w,O=v(H,k,-1,4,1),o=v(H,k,-1,4,1),O[0]=I(f.J[h]+q),o[0]=I(f.M[h]-n),O[1]=I(f.J[m]+q),o[1]=I(f.M[m]-n),O[2]=I(f.J[m]-q),o[2]=I(f.M[m]+n),O[3]=I(f.J[h]-q),o[3]=I(f.M[h]+n),m=g,h=O,mG(m,!0),nG(m,AG(m,h,o,4,!0)))}for(i=1;i<=f.u;++i){X(g,(jB(),pB));h=f.H[i];m=f.I[i];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[m]&&X(g,(PF(),TF)[f.e[h]]);if(3==f.B[i]||4==f.B[i])o=h,h=m,m=o;Y=f.J[h];M=f.M[h];O=f.J[m];o=f.M[m];if(1!=f.s[i]||0!=f.B[i])n=O-Y,A=o-
M,w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w;switch(f.s[i]){case 2:10<=f.B[i]&&X(g,tB);q=l*A;n=l*w;Z(g,L(K(Math.round(Y+q))),L(K(Math.round(M-n))),L(K(Math.round(O+q))),L(K(Math.round(o-n))));Z(g,L(K(Math.round(Y-q))),L(K(Math.round(M+n))),L(K(Math.round(O-q))),L(K(Math.round(o+n))));X(g,pB);break;case 3:m=L(K(Math.round(Y)));h=L(K(Math.round(M)));O=L(K(Math.round(O)));o=L(K(Math.round(o)));Z(g,m,h,O,o);Y=L(K(Math.round(da*A)));M=L(K(Math.round(da*w)));Z(g,m+Y,h-M,O+Y,o-M);Z(g,m-Y,h+M,O-Y,o+M);break;
case 9:case 0:for(h=0;10>h;++h)G=Y-(Y-O)/10*h,J=M-(M-o)/10*h,Z(g,L(K(Math.round(G))),L(K(Math.round(J))),L(K(Math.round(G))),L(K(Math.round(J))));vG(g,f.n.k);m=BG(f.n.n);n=f.f[i];h=sb;null!=n&&(h=n);n=BC(f.n.n,h);Y=L(K(Math.round((Y+O)/2-n/2)));n=L(K(Math.round((M+o)/2+~~(m/2)-1)));X(g,tB);wG(g,h,Y,n);X(g,pB);break;default:if(1==f.B[i]||3==f.B[i])q=da*A,n=da*w,J=v(H,k,-1,3,1),G=v(H,k,-1,3,1),J[0]=L(K(Math.round(O+q))),G[0]=L(K(Math.round(o-n))),J[1]=L(K(Math.round(Y))),G[1]=L(K(Math.round(M))),J[2]=
L(K(Math.round(O-q))),G[2]=L(K(Math.round(o+n))),m=g,h=J,o=G,mG(m,!0),nG(m,AG(m,h,o,3,!0));else if(2==f.B[i]||4==f.B[i]){q=da*A;n=da*w;for(h=0;10>h;++h)G=Y-(Y-O)/10*h,J=M-(M-o)/10*h,m=h/10,Z(g,L(K(Math.round(G+q*m))),L(K(Math.round(J-n*m))),L(K(Math.round(G-q*m))),L(K(Math.round(J+n*m))))}else Z(g,L(K(Math.round(Y))),L(K(Math.round(M))),L(K(Math.round(O))),L(K(Math.round(o))))}}w=v(fG,r,-1,f.t+1,1);A=v(H,k,-1,f.t+1,1);for(i=1;i<=f.u;++i)h=f.H[i],m=f.I[i],l=f.J[h],o=f.J[m],++A[h],++A[m],w[h]=w[h]/
A[h]+o/A[h],w[m]=w[m]/A[m]+l/A[m];vG(g,f.n.k);m=BG(f.n.n);M=v(Lt,r,1,f.t+1,0);O=v(H,k,-1,f.t+1,1);o=v(H,k,-1,f.t+1,1);l=v(CG,r,98,f.t+1,0);for(i=1;i<=f.t;++i)h=DG(f,i),(null==h||1>h.length)&&(h=wa),3==f.c[i]&&0<f.z[i]&&0==f.A[i]?(M[i]=h,O[i]=o[i]=BC(f.n.n,h),l[i]=EG(f,i,O[i],O[i],m,!1)):(Y=w[i]<f.J[i],G=!0,1<A[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/3&&(G=!1),2<A[i]&&(G=!1),1==A[i]&&(0>=w[i]-f.J[i]?0-(w[i]-f.J[i]):w[i]-f.J[i])<25*f.n.B/10&&(Y=!0),n=h,J=j,f.n.Fb&&0<f.x[i]&&(J+=Xb,
1<f.x[i]&&(J+=f.x[i])),q=j,0!=f.A[i]&&(1<$j(f.A[i])&&(q+=$j(f.A[i])),0<f.A[i]?q+=ya:q+=Ca),Y||!G?h=h+J+q+j:h=q+J+j+h,G||(n=h),M[i]=h,n=BC(f.n.n,n),q=BC(f.n.n,h),O[i]=n,o[i]=q,q=l[i]=EG(f,i,n,q,m,Y),Y=q.d+2+1,n=q.e+m+2,X(g,f.n.t),-1==f.k&&0!=f.e[i]&&X(g,(PF(),TF)[f.e[i]]),XB(g,q.d,q.e,q.c,q.b),1==f.k?0!=f.e[i]?X(g,(PF(),TF)[f.e[i]]):X(g,(jB(),pB)):X(g,(PF(),gE)[f.c[i]]),wG(g,h,Y,n));for(h=1;h<=f.y;++h)i=f.q[h][0],n=O[i],q=o[i],Y=L(K(cF(f.J[i]-n/2))),n=L(K(cF(f.M[i]+~~(m/2)-1))),X(g,(jB(),tB)),wG(g,
ba+f.q[h][1],Y+q,n);if(0<f.D||0<f.E)if(X(g,104==f.n.c?(jB(),qB):(jB(),vB)),0<f.D&&106!=f.n.c&&(q=l[f.D],lG(g,q.d,q.e,q.c,q.b)),0<f.E&&(h=f.H[f.E],m=f.I[f.E],n=f.J[m]-f.J[h],A=f.M[m]-f.M[h],w=Math.sqrt(n*n+A*A),1>w&&(w=1),A/=w,w=n/w,q=(da+1)*A,n=(da+1)*w,J=v(H,k,-1,5,1),G=v(H,k,-1,5,1),J[0]=L(K(cF(f.J[h]+q))),J[1]=L(K(cF(f.J[m]+q))),G[0]=L(K(cF(f.M[h]-n))),G[1]=L(K(cF(f.M[m]-n))),J[3]=L(K(cF(f.J[h]-q))),J[2]=L(K(cF(f.J[m]-q))),G[3]=L(K(cF(f.M[h]+n))),G[2]=L(K(cF(f.M[m]+n))),J[4]=J[0],G[4]=G[0],106!=
f.n.c&&(da=g,i=J,A=G,da.o&&(mG(da,!1),nG(da,AG(da,i,A,5,!0)))),106==f.n.c&&FG(f,f.H[f.E],f.I[f.E]))){da=0;for(i=1;i<=f.t;++i)0<f.b[i]&&++da;if(da>~~(f.t/2))for(i=1;i<=f.t;++i)0<f.b[i]?f.b[i]=0:f.b[i]=1;X(g,(jB(),qB));for(i=1;i<=f.t;++i)0<f.b[i]&&(q=l[i],lG(g,q.d,q.e,q.c,q.b))}}}a.z||(a.nb?(X(e,(jB(),oB)),Z(e,c-1,0,c-1,b-1)):(X(e,xB(qE)),Z(e,c-1,0,c-1,b-1),X(e,qE),Z(e,c-2,0,c-2,b-1),X(e,RF),Z(e,c-3,0,c-3,b-1)));a.Bb&&(d=~~((c-48)/2),X(e,(jB(),tB)),Z(e,d,~~(b/2),d+48,~~(b/2)),Z(e,d+48,~~(b/2),d+48-
6,~~(b/2)+6),Z(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new KB(Yb,0,13),a.W=new AC(a.T),null!=a.bb&&(d=BC(a.W,a.bb),c=L(K(Math.round((c-d)/2))),b-=13,X(e,(jB(),pB)),vG(e,a.T),wG(e,a.bb,c,b)));xG(a.Ob,a.cb,a.Y,2*a.Y+a.S)}}
function tG(a,b,c,d,e){var f,g,i,h,l;f=~~(a.Y/4);g=!1;h=v(H,k,-1,9,1);l=v(H,k,-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)i=6.283185307179586/e*(f-0.5),h[f]=I(c+a*Math.sin(i)),l[f]=I(d+a*Math.cos(i));f=e+1;b.o&&(mG(b,!1),nG(b,AG(b,h,l,f,2<f)));if(g){for(f=0;f<=e;++f)i=6.283185307179586/e*(f-0.5),h[f]=I(c+(a-3)*Math.sin(i)),l[f]=I(d+(a-3)*Math.cos(i));Z(b,h[0],l[0],h[1],l[1]);Z(b,h[2],l[2],h[3],l[3]);Z(b,h[4],l[4],h[5],l[5])}}
function GG(a){var b,c,d;if(a.mb){d=a.Lb.b;b=a.C.c;c=2*a.Y+a.S;X(d,qE);XB(d,0,0,b,c);a.nb?(X(d,(jB(),oB)),c=13*(a.Y+a.S),lG(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,xB(qE)),Z(d,b-1,0,b-1,c-1),Z(d,0,c-1,b-1-2,c-1),X(d,RF),Z(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)kG(a,d,b,1),kG(a,d,b,2);a.c=c;xG(a.Ob,a.Lb,0,0)}}
function qG(a,b,c,d,e){var f,g,i,h,l,m,o,n;l=~~(d/4);m=2+~~(l/2);g=2+l;n=c+~~(10*d/24);h=n+l;o=b+d;e?(i=2+b,f=m+b,g+=b):(f=o-m,i=o-2,g=o-g);Z(a,i,n,f,h);Z(a,g,n,f,h);i=~~(l/3);Z(a,f,n+i,f,h);f=d-m-4;h=270;e?(b+=m,e=270):(b=o-f-m,h*=-1,e=-90);pG(a,b,c+m-i,f,d-4-i-1,e,h)}
function HG(a,b){var c,d,e,f,g,i,h;vE(a);if(0==b.indexOf("$RXN")){a.Bb=!0;a.ib=!0;g=IG(b);h=new FD(b,g,!0);d=j;for(c=1;5>=c;++c)d=JG(h,g);c=ZE(mD(ko(d.substr(0,3)),10)).b;f=ZE(mD(ko(d.substr(3,3)),10)).b;JG(h,g);for(d=1;d<=c+f;++d){for(e=j;!(i=JG(h,g),null==i||D(i,"$MOL"));)e+=i+g;a.fb[++a.tb]=new KG(a,e)}eG(a,1,c,1);eG(a,c+1,c+f,3)}else{a.Bb=!1;a.Z=new KG(a,b);if(!a.Z||0==a.Z.t)return a.jb=!0,a.J="ERROR - problems in reading/processing MOL input",QD(a),!1;null!=a.i&&a.Z&&kE(a.Z,a.i,!0);null!=a.j&&
a.Z&&kE(a.Z,a.j,!1);g=LG(a.Z,!1);if(1==g)a.fb[++a.tb]=a.Z;else{a.ib=!0;for(d=1;d<=g;++d)a.fb[++a.tb]=new MG(a,a.Z,d)}a.e=1;a.Z=a.fb[a.e];eG(a,1,g,0)}QD(a);return!0}
function NG(a,b){var c,d,e,f,g,i,h,l;vE(a);c=f=0;l=new FD(b,"|>",!0);e=-1<b.indexOf(rb);i=1;g=yD(l);a.tb=0;for(d=1;d<=g;++d)if(h=CD(l),ko(h),!D(h,lh))if(D(h,rb))++i,2==i?f=a.tb:3==i&&(c=a.tb+1);else{a.Z=new zE(a,h);if(0==a.Z.t)return BE(a,"ERROR - problems in reading/processing molecule !"),ZC(),!1;++a.tb;a.e=a.tb;a.fb[a.tb]=a.Z}if(2==i)return BE(a,"ERROR - strange reaction - fixing !"),ZC(),!1;if(3<i)return BE(a,"ERROR - strange reaction !"),ZC(),!1;1<a.tb&&!e&&eE(a,Gf);e&&!a.Bb&&eE(a,gg);!e&&a.Bb&&
eE(a,Kf);e?(eG(a,1,f,1),eG(a,f+1,c-1,2),eG(a,c,a.tb,3)):eG(a,1,a.tb,0);QD(a);return!0}function Tr(a,b){a.jb=!0;a.J=b}
function Xr(a,b){var c,d;if(0==b)return!1;cG(a);c=a.c;a.c=b;if(300>=b)switch(a.mb=!0,a.kb=!0,b){case 102:rE(a);d=a.$;d.b=d.c;d.c.d=null;OG(a.Db);break;case 110:a.lb=!0;a.c=c;a.$.b!=a.$.c&&a.$.b.c!=a.$.c?a.f&&(++a.tb,a.e=a.tb,a.f=!1):(a.jb=!0,a.J="No more undo");if(!(a.$.b!=a.$.c&&a.$.b.c!=a.$.c))break;PG(a,MF(a.$));a.lb=!0;break;case 111:a.c=c;if(a.$.b.d)a.f&&(++a.tb,a.e=a.tb,a.f=!1);else{a.jb=!0;a.J="No more redo";break}if(!a.$.b.d)break;d=a.$;if(!d.b.d)throw new bw("Cannot redo. Index is out of range.");
if(!d.b.d)throw new bw(ac);d.b=d.b.d;PG(a,d.b.b);a.lb=!0;break;case 152:a.c=c;d=a.Db;d.b<d.d-1?(++d.b,d=Uu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(Tr(a,fc+(a.Db.b+1)+ca+a.Db.d),d=fF(d),lE(a,d,!1),null!=a.rb&&HD(a.rb,null));break;case 151:a.c=c;d=a.Db;0<d.b?(--d.b,d=Uu(d,d.b)):d=null;null==d?(a.jb=!0,a.J=jc):(Tr(a,fc+(a.Db.b+1)+ca+a.Db.d),d=fF(d),lE(a,d,!1),null!=a.rb&&HD(a.rb,null));break;case 101:a.Gb&&GF(a.Gb);a.Gb=new QG(1,a);a.c=c;break;case 107:!a.zb?a.zb=new RG(a):a.zb.ac.d.hb?SG(a.zb.ac.d):
oE(a.zb);break;case 113:a.b&&GF(a.b);a.b=new QG(0,a);a.c=c;break;case 103:a.lb=!0;a.ob=!0;a.c=c;break;case 105:a.lb=!0;a.q&&a.gb&&(a.gb=!1,fE(a.Z),a.c=c);a.y=1;break;case 112:case 109:a.c=c;d=TG(a.Z);if(2==d){a.jb=!0;a.J="Copying the agent not possible !";break}d=v(fG,r,-1,4,1);gG(a.Z,d);a.lb=!0;a.Z=new WF(a.Z);d=I(~~((a.C.c-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;AE(a.Z);a.fb[++a.tb]=a.Z;a.e=a.tb;break;case 104:0<a.Z.D?(a.lb=!0,UG(a.Z,a.Z.D),a.Z.D=0,dG(a)):0<a.Z.E&&(a.lb=!0,VG(a.Z,a.Z.E),
a.Z.E=0,dG(a));WG(a.Z);break;case 213:a.c=c;if(!a.E){var e,f,g,i;i=new qC;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new iC(c),oC(i,g),g.d=c,DA(g.e,a);Cz(a,i);a.E=i}pC(a.E,a,a.F.b,a.F.c)}else{a.kb=!0;a.mb=!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&&(GF(a.o),a.o=null);0==a.Z.D&&(a.o=new QG(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.lb=!0,a.d!=a.Z.c[a.Z.D]&&18!=a.d&&(a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,dG(a)),18==a.d&&(d=xo((Ur(),Vr).ac.b.pb,dh),XG(a.Z,a.Z.D,d),dG(a)),WG(a.Z))}QD(a);return!0}
function qr(a){var b,c,d;d=CE(a);c=j;if(a.Bb){var e,f,g;g=At([4,a.tb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.tb;++b)TG(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(YG(g[1][0],3)+YG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+ZG(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+ZG(a.fb[g[3][b]],d)}else 1<a.tb&&(a.Z=new $G(a,a.fb,a.tb)),c=ZG(a.Z,d),1<a.tb&&(a.Z=a.fb[a.e]);return c}
function aH(a,b,c,d){var e;e=c;var f=d,g,i;(g=bH(b),i=0!=(b.f&2),g||i)?(a.Bb?pC((!a.w&&(a.w=bE(a,!0)),a.w),a,e,f):pC((!a.v&&(a.v=bE(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.jb=!1;a.Mb=c-a.Y;a.Nb=d-(2*a.Y+a.S);a.jb=!0;a.J=j;a.gb=cH(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;13>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=cE+2;++e)if(d<e*(a.Y+a.S)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Hb=!0,a.jb=!0,a.J="Next ring will be added as spiro",QD(a),
!0;if(!a.yb&&107==d||!a.Jb&&201==d||!a.ib&&103==d||!a.sb&&!a.q&&105==d||!a.Bb&&109==d)return!1;e=Xr(a,d)}else{if(d>a.C.b-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)UG(a.Z,a.Z.D),a.Z.D=0,dG(a);else{if(106==a.c)return!0;if(108==a.c)dH(a.Z,a.Z.D,0),dG(a);else if(157==a.c)dH(a.Z,a.Z.D,1),dG(a);else if(158==a.c)dH(a.Z,a.Z.D,-1),dG(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=1,$(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.j[1]=a.Z.t,a.Z.j[0]=a.Z.D,a.Z.E=0):dG(a);
else if(206<=a.c&&229>=a.c)a.O=2,eH(a.Z),dG(a);else if(230==a.c)a.O=3,dG(a);else if(233<=a.c&&262>a.c)fH(a.Z,!1),dG(a),a.O=3;else if(107==a.c){if(a.zb.c)return!0;XG(a.Z,a.Z.D,xo(a.zb.f.ac.b.pb,dh));dG(a)}else if(105==a.c)gH(a.Z);else if(300<a.c){if(a.d!=a.Z.c[a.Z.D]||18==a.d)a.Z.c[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=xo((Ur(),Vr).ac.b.pb,dh),1>d.length&&(d=Rc),XG(a.Z,a.Z.D,d)),dG(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,eH(a.Z),dG(a);else if(0<a.Z.E)if(104==a.c)VG(a.Z,
a.Z.E),a.Z.E=0,dG(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.b[d.H[c]]&&0<d.b[d.I[c]])Tr(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;UG(d,c);d.b[c]=0}a.Z.E=0;dG(a)}else if(201==a.c)hH(a.Z,a.Z.E),dG(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),dG(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,dG(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,dG(a);
else if(206<=a.c&&229>=a.c)a.O=2,eH(a.Z),dG(a);else if(107==a.c){if(!a.zb.c)return!0;d=xo(a.zb.f.ac.b.pb,dh);a.Z.s[a.Z.E]=9;a.Z.f[a.Z.E]=d;dG(a)}else 105==a.c?(a.jb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.tb||a.ob){if(201>=a.c)return!1;++a.tb;a.e=a.tb;a.fb[a.tb]=new jG(a);a.Z=a.fb[a.tb];a.ob=!1;202<=a.c&&204>=a.c||205==a.c?(iH(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,$(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.j[0]=1,a.Z.j[1]=2,a.Z.v=1)):206<=
a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,eH(a.Z)):300<a.c?(iH(a.Z),a.Z.c[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=xo((Ur(),Vr).ac.b.pb,dh),1>d.length&&(d=Rc),XG(a.Z,1,d))):230==a.c?jE(a,null):233<=a.c&&262>a.c?(iH(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,fH(a.Z,!0)):ZC();dG(a)}else e=!1;e&&(WG(a.Z),a.kb=!1,a.mb=!1,a.lb=!0,QD(a))}return e}
function jH(a,b,c,d){var e,f;if(a.z||!a.hb||bH(b))return!0;a.jb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Mb;f=d-a.Nb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,i,h,l,m,o,n;b.D=0;b.J[0]=e;b.M[0]=f;g=kH(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.j[b.v];l=b.j[b.v-1];i=b.J[g]-b.J[l];h=b.M[g]-b.M[l];g=Math.sqrt(i*i+h*h);1>g&&(g=1);h/=g;i/=g;m=g/2/Math.tan(0.5235987755982988);o=e-b.J[l];n=f-b.M[l];l=-g/2+o*i+
n*h;h=n*i-o*h;if(0>l)if(1<b.v)UG(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.j[0]]&&(m=b.G[b.j[0]][1],m==b.j[1]&&(m=b.G[b.j[0]][2]),i=b.J[b.j[0]]-b.J[m],h=b.M[b.j[0]]-b.M[m],g=Math.sqrt(i*i+h*h),1>g&&(g=1),h/=g,i/=g,o=e-b.J[m],n=f-b.M[m],e=n*i-o*h,o=b.J[b.j[1]]-b.J[m],n=b.M[b.j[1]]-b.M[m],f=n*i-
o*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.j[0],$(b,0),VG(b,e),0<kH(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;l<1.5*g&&(e=(1.5*g-l)*m/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){Tr(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;$(b,L(K(Math.round(h))));b.j[b.v]=b.t;0<kH(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;Tr(b.n,e+j)}else i=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(i*i+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(i/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(cH(b)||bH(b))bG(a.Z,e),a.O=
5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=v(fG,r,-1,4,1);gG(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.c-b.n.Y&&0<h&&h<b.n.C.b-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;cG(a);a.lb=!0;QD(a);a.Mb=c;a.Nb=d;return!0}
function lH(a,b,c,d){var e,f,g;if(!a.z&&!bH(b)){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.tb;++b){e=a.fb[b];for(var i=c,h=d,l=void 0,m=void 0,o=void 0,n=void 0,q=void 0,l=void 0,o=0,q=((PF(),UF)?350:170)+1,n=1;n<=e.u;++n)l=i-e.K[n],m=h-e.N[n],l=l*l+m*m,l<q&&(q=l,o=n);o*=-1;for(n=1;n<=e.t;++n)l=i-e.J[n],m=h-e.M[n],l=l*l+m*m,l<q&&(q=l,o=n);e=o;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;0<a.fb[b].D&&null!=a.qb&&HD(a.qb,F(bF,r,122,[new R(a.e),new R(a.Z.D)]));break a}else if(0<a.fb[b].D||0<
a.fb[b].E)a.fb[b].D=0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.tb;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;cG(a);a.lb=!0;QD(a)}0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}}
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1;++a.z[a.D];nH(a);a.s[a.u]=1;203==a.n.c&&(a.s[a.u]=2);204==a.n.c&&(a.s[a.u]=3);a.H[a.u]=a.D;a.I[a.u]=a.t;201==a.n.c&&hH(a,a.u);a.G[a.t][1]=a.D;a.G[a.D][a.z[a.D]]=a.t;a.K[a.u]=L(K(cF((a.J[a.D]+a.J[a.t])/2)));a.N[a.u]=L(K(cF((a.M[a.D]+a.M[a.t])/2)));a.L=a.J[a.t];a.O=a.M[a.t]}
function fH(a,b){var c;a.F=a.D;c=0;if(233==a.n.c||237==a.n.c||236==a.n.c||239==a.n.c||251==a.n.c||252==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.p=!1,a.D=a.t-1,$(a,0),a.D=a.t-2,$(a,0),237==a.n.c&&(a.c[a.t]=10,a.c[a.t-1]=10,a.c[a.t-2]=10),236==a.n.c&&(a.c[a.t]=9,a.c[a.t-1]=9,a.c[a.t-2]=9),239==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=5,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),252==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-2]=4,a.c[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),251==a.n.c&&(a.c[a.t]=5,a.c[a.t-1]=5,a.c[a.t-
2]=5,a.c[a.t-3]=7,a.s[a.u]=2),c=4;else if(244==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.c[a.t]=8,a.D=a.t,a.p=!0,$(a,0),a.p=!1,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-2,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=5;else if(234==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,a.n.wb&&dH(a,a.D,1),$(a,0),a.c[a.t]=5,a.s[a.u]=2,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.n.wb?(a.s[a.u]=1,dH(a,a.t,-1)):a.s[a.u]=2,c=3;else if(235==a.n.c)$(a,0),a.D=a.t,$(a,0),a.c[a.t]=5,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(240==a.n.c)$(a,0),a.D=
a.t,$(a,0),a.c[a.t]=5,a.D=a.t,$(a,0),a.D=a.t-2,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)$(a,0),a.D=a.t,$(a,0),a.c[a.t]=4,a.D=a.t-1,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.c[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)$(a,0),a.c[a.t]=5,a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.D=a.t-1,$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=4;else if(243==a.n.c)$(a,0),a.c[a.t]=4,a.D=a.t,$(a,0),a.D=a.t-1,$(a,0),c=3;else if(238==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.s[a.u]=
3,a.p=!1,c=2;else if(249==a.n.c)$(a,0),a.D=a.t,$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=2;else if(250==a.n.c)$(a,0),a.s[a.u]=2,a.c[a.t]=5,c=1;else if(245==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.D=a.t,a.s[a.u]=3,$(a,0),a.p=!1,c=3;else if(242==a.n.c)$(a,0),a.D=a.t,a.p=!0,$(a,0),a.s[a.u]=3,a.c[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)$(a,0),a.c[a.t]=9,c=1;else if(255==a.n.c)$(a,0),a.c[a.t]=10,c=1;else if(256==a.n.c)$(a,0),a.c[a.t]=11,c=1;else if(257==a.n.c)$(a,0),a.c[a.t]=12,c=1;else if(258==a.n.c)$(a,0),a.c[a.t]=4,
c=1;else if(259==a.n.c)$(a,0),a.c[a.t]=5,c=1;else if(246==a.n.c)$(a,0),a.D=a.t,$(a,0),c=2;else if(247==a.n.c)$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),c=3;else if(248==a.n.c)$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),a.D=a.t,$(a,0),c=4;else if(253==a.n.c){var d,e,f,g,i,h,l,m,o,n,q;if(a.n.Kb){c=0;m=a.n.Kb;for(l=1;l<=m.y;++l)d=m.q[l][0],1==m.q[l][1]&&(c=d);d=a.t;l=a.D;$(a,0);e=a.J[a.t];g=a.M[a.t];UG(a,a.t);e=a.J[l]-e;g=a.M[l]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=m.t;++h)iH(a),a.c[a.t]=m.c[h],a.A[a.t]=m.A[h],
a.x[a.t]=m.x[h],a.J[a.t]=m.J[h],a.M[a.t]=m.M[h];for(h=1;h<=m.u;++h)nH(a),a.H[a.u]=m.H[h]+d,a.I[a.u]=m.I[h]+d,a.s[a.u]=m.s[h];AE(a);a.D=c+d;$(a,0);m=a.J[a.t];n=a.M[a.t];UG(a,a.t);f=a.J[c+d]-m;i=a.M[c+d]-n;h=Math.sqrt(f*f+i*i);i/=h;f/=h;for(h=d+1;h<=a.t;++h)a.J[h]-=m,a.M[h]-=n,o=a.J[h]*f+a.M[h]*i,q=a.M[h]*f-a.J[h]*i,a.J[h]=o,a.M[h]=q,o=-a.J[h]*e+a.M[h]*g,q=-a.M[h]*e-a.J[h]*g,a.J[h]=o,a.M[h]=q,a.J[h]+=a.J[l],a.M[h]+=a.M[l];nH(a);a.H[a.u]=l;a.I[a.u]=c+d;AE(a);b&&(UG(a,l),hG(a))}c=4}FH(a,c);a.D=a.F;b&&
(a.D=0)}
function EH(a,b,c,d){var e,f,g,i,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];i=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+i*i);0.001>h&&(h=0.001);i/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*i)?(g=a.J[b]-a.J[e],i=a.M[b]-a.M[e],h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),i/=h,g/=h,d[0]=a.J[e]+h*g-c*i,d[1]=a.M[e]+c*g+h*i):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,i=a.M[b]-e,h=Math.sqrt(g*g+i*i),0.001>h&&(h=0.001),d[0]=a.J[b]+
c*g/h,d[1]=a.M[b]+c*i/h)}
function eH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q;l=-1;i=6;switch(a.n.c){case 206:i=3;break;case 207:i=4;break;case 208:case 221:case 223:i=5;break;case 210:case 209:i=6;break;case 211:i=7;break;case 212:i=8;break;case 229:i=9}f=6.283185307179586/i;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])GH(a,i,f,h);else if(!a.n.gb&&!a.n.Hb)l=a.D,$(a,0),a.D=a.t,GH(a,i,f,h);else{a.n.Hb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Tr(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[DH(a,a.D,a.G[a.D][d])],2<d||1!=b){Tr(a.n,"ERROR - spiro ring not possible here !");a.n.O=9;return}b=v(fG,r,-1,2,1);EH(a,a.D,h,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=i;++d)iH(a),o=f*d+1.5707963267948966,a.J[a.t]=b[0]+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=b[1]+h*(Math.cos(o)*e+Math.sin(o)*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],m=b,b=c,c=m);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];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;o=m/2;q=h*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);n=a.J[b]+o*e-q*g;q=a.M[b]+q*e+o*g;for(d=1;d<=i;++d)iH(a),o=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=n+h*(Math.sin(o)*e-Math.cos(o)*g),a.M[a.t]=q+h*(Math.cos(o)*e+Math.sin(o)*g),1==m?(d==i&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i-1&&(a.J[a.t]=
a.J[c],a.M[a.t]=a.M[c])):(d==i-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==i&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==i&&(b=0);for(d=1;d<=i;++d)iH(a),o=f*(d-b),a.J[a.t]=a.L+h*Math.sin(o),a.M[a.t]=a.O+h*Math.cos(o)}b=i;h=0;for(f=1;f<=b;++f)nH(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[DH(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[DH(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.c[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.c[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.c[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.c[a.t-2]=5);h=v(H,k,-1,a.t+1,1);for(f=1;f<=i;++f)b=a.t-i+f,c=a.u-i+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=L(K(cF((a.J[b]+a.J[e])/2))),a.N[c]=L(K(cF((a.M[b]+a.M[e])/
2)));a.G[a.t-i+1][1]=a.t;a.G[a.t][2]=a.t-i+1;for(f=a.t-i+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-i;++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-i;f=g+1;a:for(;f<=g+i;++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;nH(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]=L(K(cF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/
2)));a.N[a.u]=L(K(cF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(nH(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]=L(K(cF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(cF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(nH(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]=L(K(cF((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=L(K(cF((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-i;for(f=a.t;f>d;--f)if(0<
h[f]&&(UG(a,f),3==a.c[h[f]])){m=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])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+i;++c)a.s[c]=1}0<a.D&&FH(a,i);-1<l&&(a.D=l)}
function GH(a,b,c,d){var e,f,g,i,h,l;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;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)iH(a),i=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(i)*f-Math.cos(i)*e),a.M[a.t]=l+d*(Math.cos(i)*f+Math.sin(i)*e)}function FH(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=kH(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)}
function DH(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 HH(a,b,c){var d,e,f,g;e=nh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(mu(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)mu(c[d])&&!au(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)gu(c[d],e)&&(b[d]=g,c[d]=nh,++f);if(f==a.t)break}return g==a.t}
function hG(a){var b,c,d;b=v(fG,r,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.c&&(c=a.n.C.c-a.n.Y,d=a.n.C.b-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{gG(a,b);c=~~(c/2)-L(K(Math.round(b[0])));d=~~(d/2)-L(K(Math.round(b[1])));if(!a.n.pb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;iG(a)}}
function gG(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 dH(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=IH(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.c[b]){case 2:2<d&&Tr(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?Tr(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?Tr(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?Tr(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:Tr(a.n,"Charge change not possible on the halogen !");break;case 18:Tr(a.n,
"Use X button to change charge on the X atom !")}}
function LG(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(H,k,-1,a.t+1,1);;){for(e=1;e<=a.t;++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.u;++e)c=a.H[e],d=a.I[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=v(H,k,-1,f+1,1);for(c=1;c<=a.t;++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.t;1<=c;--c)a.b[c]!=d&&UG(a,c);hG(a);Tr(a.n,"Smaller part(s) removed !");return 1}
function kH(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 oH(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.c[b]&&3!=a.c[c]&&a.n.wb)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.A[b]=0;a.A[c]=0;++a.s[d];WG(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),WG(a));4==a.s[d]&&(a.s[d]=1)}}
function CH(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 AE(a){var b;JH(a);b=a.s.length;a.K=v(H,k,-1,b,1);a.N=v(H,k,-1,b,1);iG(a);WG(a)}
function iH(a){var b,c;++a.t;a.t>a.c.length-1&&(c=a.c.length+10,b=v(H,k,-1,c,1),lF(a.c,b,a.c.length),a.c=b,b=v(H,k,-1,c,1),lF(a.A,b,a.A.length),a.A=b,b=v(H,k,-1,c,1),lF(a.x,b,a.x.length),a.x=b,b=v(H,k,-1,c,1),lF(a.e,b,a.e.length),a.e=b,b=v(Lt,r,1,c,0),lF(a.d,b,a.d.length),a.d=b,b=v(Lt,r,1,c,0),lF(a.o,b,a.o.length),a.o=b,b=v(fG,r,-1,c,1),lF(a.J,b,a.J.length),a.J=b,b=v(fG,r,-1,c,1),lF(a.M,b,a.M.length),a.M=b,b=At([c,7]),lF(a.G,b,a.G.length),a.G=b,c=v(H,k,-1,c,1),lF(a.z,c,a.z.length),a.z=c);a.c[a.t]=
3;a.A[a.t]=0;a.e[a.t]=0;a.d[a.t]=null;a.x[a.t]=0}function EG(a,b,c,d,e,f){var g;g=L(K(cF(a.J[b]-c/2)));f||(g-=d-c);a=L(K(cF(a.M[b]-~~(e/2))));return new kA(g-1-2,a-2,d+1+4,e+4)}
function nH(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(H,k,-1,b,1),lF(a.H,c,a.H.length),a.H=c,c=v(H,k,-1,b,1),lF(a.I,c,a.I.length),a.I=c,c=v(H,k,-1,b,1),lF(a.s,c,a.s.length),a.s=c,c=v(H,k,-1,b,1),lF(a.B,c,a.B.length),a.B=c,c=v(H,k,-1,b,1),lF(a.K,c,a.K.length),a.K=c,c=v(H,k,-1,b,1),lF(a.N,c,a.N.length),a.N=c,b=v(Lt,r,1,b,0),lF(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null}
function ZG(a,b){var c,d,e,f,g,i,h;if(0==a.t)return j;i=b;79<b.length&&(i=b.substr(0,76)+"...");i+=(PF(),aa);i+="JME 2013-04-10 "+new zF+"\n \n";i+=YG(a.t,3)+YG(a.u,3);i+=" 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){i+=qH(0.055999999999999994*(a.J[e]-c),10,4)+qH(0.055999999999999994*(g-a.M[e]),10,4)+qH(0,10,4);h=DG(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
i+=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"+YG(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+=YG(f,3):h+=" 0";i+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:KH(a,e)&&(g=2),c=YG(a.H[e],3)+YG(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=YG(a.I[e],3)+YG(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=YG(a.I[e],3)+YG(a.H[e],3)),i+=c+YG(g,3)+YG(d,3)+" 0 0 0\n";
for(e=1;e<=a.t;++e)0!=a.A[e]&&(i+="M CHG 1"+YG(e,4)+YG(a.A[e],4)+aa);return i+"M END\n"}
function rH(a){var b,c,d,e,f,g,i,h,l,m,o,n,q,w,G,A,J,O,Y,da,M,pc,Hc,kg,tb,Sd,Td,Ud,Va,Ic;o=v(H,k,-1,a.t+10,1);n=v(H,k,-1,a.t+10,1);l=v(H,k,-1,a.t+1,1);m=v(H,k,-1,7,1);tb=v(H,k,-1,a.t+1,1);w=v(LH,r,-1,a.t+1,2);G=v(LH,r,-1,a.u+1,2);pc=0;if(0==a.t)return j;LG(a,!0);kg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){kg=!1;break}if(a.n.s&&kg){MH(a);oH(a);NH(a,G);OH(a,w,G);var Eb,wd,lf,cc,De,xd,yd,db,QI,Xd,t,xa,Ym,Zm,Ys,sf,Na,$m,an,Lc,bn;Eb=v(H,k,-1,a.t+1,1);wd=v(H,k,-1,a.t+1,1);db=v(PH,r,-1,a.t+1,3);var Zs=a.t,cn,
Ch,$s,wg,Lj,Je,tf;Lj=v(PH,r,-1,Zs+2,3);Je=v(H,k,-1,100,1);tf=5;wg=0;Je[0]=3;Lj[1]=ph;Lj[2]=qh;$s=2;if(!(3>Zs))for(;tf<Je[wg]*Je[wg];){Ch=0;for(cn=!0;cn&&Ch<=wg&&tf>=Je[Ch]*Je[Ch];)0==tf%Je[Ch]?cn=!1:++Ch;if(cn){Lj[++$s]=ju(tf);if($s>=Zs)break;wg<Je.length-1&&(++wg,Je[wg]=tf)}tf+=2}for(t=1;t<=a.t;++t){for(xa=an=1;xa<=a.u;++xa)(a.H[xa]==t||a.I[xa]==t)&&(an*=a.i[xa]);$m=a.c[t];18==$m&&(bn=a.o[t],xd=bn.charCodeAt(0)-65+1,yd=0,1<bn.length&&(yd=bn.charCodeAt(1)-97),0>xd&&(xd=0),0>yd&&(yd=0),$m=28*xd+yd);
sf=0;-2>a.A[t]?sf=1:-2==a.A[t]?sf=2:-1==a.A[t]?sf=3:1==a.A[t]?sf=4:2==a.A[t]?sf=5:2<a.A[t]&&(sf=6);Lc=1;db[t]=ju(an);Lc*=126;db[t]=eu(db[t],ju(a.x[t]*Lc));Lc*=7;db[t]=eu(db[t],ju(sf*Lc));Lc*=7;db[t]=eu(db[t],ju($m*Lc));Lc*=783;db[t]=eu(db[t],ju(a.z[t]*Lc))}for(De=0;!HH(a,Eb,db);){Ys=!1;for(t=1;t<=a.t;++t)Eb[t]!=wd[t]&&(wd[t]=Eb[t],Ys=!0);if(Ys){for(t=1;t<=a.t;++t){db[t]=oh;for(xa=1;xa<=a.z[t];++xa)db[t]=nu(db[t],Lj[Eb[a.G[t][xa]]])}De=0}else if(0<De){for(t=1;t<=a.t;++t)db[t]=oh;t=1;a:for(;t<=a.t-
1;++t)for(xa=t+1;xa<=a.t;++xa)if(Eb[t]==Eb[xa]){db[t]=ph;break a}}else{for(t=1;t<=a.t;++t){db[t]=oh;for(xa=1;xa<=a.z[t];++xa)lf=a.G[t][xa],db[t]=nu(db[t],ju(a.c[lf]*a.i[DH(a,t,lf)]))}De=1}HH(a,Eb,db);for(t=1;t<=a.t;++t)db[t]=ju(wd[t]*a.t+Eb[t])}for(t=1;t<=a.t;++t)wd[t]=Eb[t];for(Na=1;Na<=a.t;++Na)for(t=1;t<=a.t;++t)if(wd[t]==Na){a.c[0]=a.c[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.c[t]=a.c[Na];a.A[t]=a.A[Na];a.J[t]=a.J[Na];a.M[t]=a.M[Na];a.z[t]=a.z[Na];a.c[Na]=a.c[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];wd[t]=wd[Na];wd[Na]=Na;a.o[0]=a.o[t];a.o[t]=a.o[Na];a.o[Na]=a.o[0];a.e[0]=a.e[t];a.e[t]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[t];a.d[t]=a.d[Na];a.d[Na]=a.d[0];a.x[0]=a.x[t];a.x[t]=a.x[Na];a.x[Na]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=Eb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=Eb[a.H[t]],a.I[t]=Eb[a.I[t]],a.H[t]>a.I[t]&&(Xd=a.H[t],a.H[t]=a.I[t],a.I[t]=Xd,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){Zm=Ym=
a.t;cc=0;for(xa=t;xa<=a.u;++xa)a.H[xa]<Ym?(Ym=a.H[xa],Zm=a.I[xa],cc=xa):a.H[xa]==Ym&&a.I[xa]<Zm&&(Zm=a.I[xa],cc=xa);Xd=a.H[t];a.H[t]=a.H[cc];a.H[cc]=Xd;Xd=a.I[t];a.I[t]=a.I[cc];a.I[cc]=Xd;Xd=a.s[t];a.s[t]=a.s[cc];a.s[cc]=Xd;Xd=a.B[t];a.B[t]=a.B[cc];a.B[cc]=Xd;QI=a.f[t];a.f[t]=a.f[cc];a.f[cc]=QI}AE(a);WG(a);NH(a,G);OH(a,w,G)}else{NH(a,G);a.i=v(H,k,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(H,k,-1,a.t+1,1);Ic=1;a.b[1]=1;for(da=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]>
a.b[c])&&g!=tb[c]){Hc=!0;for(J=1;J<=pc;++J)if(o[J]==c&&n[J]==g||o[J]==g&&n[J]==c){Hc=!1;break}Hc&&(++pc,o[pc]=c,n[pc]=g)}}else m[++M]=g;if(0==M){if(Ic==a.t)break;c=l[da--]}else if(1==M)tb[m[1]]=c,c=m[1],a.b[c]=++Ic;else{l[++da]=c;e=0;for(q=1;q<=M;++q)if(h=DH(a,m[q],c),!G[h]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(h=DH(a,m[q],c),2==a.i[h]||3==a.i[h]){e=m[q];break}0==e&&(e=m[1]);tb[e]=c;c=e;a.b[e]=++Ic}}tb=v(H,k,-1,a.t+1,1);b=v(H,k,-1,a.t+1,1);O=v(LH,r,-1,a.t+1,2);Sd=v(LH,r,-1,a.t+1,2);f=Ic=da=0;
for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(tb[c]=f);b[++Ic]=c;for(a.b[c]=0;;){M=e=0;Y=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(A=1;A<=pc;++A)if(o[A]==g&&n[A]==c||o[A]==c&&n[A]==g)continue b;0<a.b[g]&&(++M,a.b[g]<Y&&(e=g,Y=a.b[g]))}if(0==e){if(0==da)break a;Sd[c]=!0;c=l[da--]}else break}f=c;c=e;1<M&&(l[++da]=f,O[e]=!0)}Td=v(H,k,-1,a.u+1,1);Ud=v(H,k,-1,a.t+1,1);if(a.n.Jb){var SI=tb,$M=pc,at,TI,Dh,Ke,bt,ct,Ma,Mj,dt;Dh=v(H,k,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)Dh[b[Ma]]=Ma;bt=v(LH,
r,-1,a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)at=b[Ma],TI=SI[at],Ke=DH(a,at,TI),0!=Ke&&(QH(a,Ke,Dh,Td,G),bt[Ke]=!0);for(Ma=1;Ma<=a.u;++Ma)bt[Ma]||QH(a,Ma,Dh,Td,G);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){ct=dt=0;for(Mj=1;Mj<=a.z[Ma];++Mj){Ke=DH(a,Ma,a.G[Ma][Mj]);if(5==a.i[Ke])continue a;1==a.s[Ke]&&0!=RH(a,Ke,Ma)&&++dt;2==a.s[Ke]&&(ct=a.G[Ma][Mj])}if(0!=dt)if(0<ct){var ia=a,VI=Ma,uf=Dh,Yc=Ud,rc=void 0,Nj=void 0,Mc=void 0,Le=void 0,Nc=void 0,dn=void 0,en=void 0,fn=void 0,Yd=void 0,Zc=void 0,$c=void 0,
et=void 0,Oj=void 0,Zd=void 0,Pj=void 0,Me=void 0,Qj=void 0,ft=void 0,Rj=void 0,Ne=void 0,WI=void 0,vf=void 0,XI=void 0,gt=void 0,Sj=void 0,wf=void 0,$c=1,Nj=VI,rc=v(H,k,-1,ia.t+1,1);for(rc[1]=VI;;){et=!1;for(Zc=1;Zc<=ia.z[Nj];++Zc)if(Mc=ia.G[Nj][Zc],!(Mc==rc[1]||Mc==rc[$c-1]))if(Le=DH(ia,Nj,Mc),2==ia.s[Le]&&5!=ia.i[Le]){Nj=rc[++$c]=Mc;et=!0;break}if(!et)break}if(!(0==$c%2||2>ia.z[rc[$c]]||3<ia.z[rc[$c]])){wf=rc[1];Nc=rc[~~(($c+1)/2)];Yd=rc[$c];vf=Ne=Me=Zd=0;gt=ft=!1;for(Zc=1;Zc<=ia.z[wf];++Zc)Mc=
ia.G[wf][Zc],Le=DH(ia,wf,Mc),1!=ia.s[Le]||5==ia.i[Le]||(0==Zd?Zd=Mc:Me=Mc);0<uf[Me]&&uf[Zd]>uf[Me]&&(dn=Zd,Zd=Me,Me=dn);Oj=Zd;0==Zd&&(Oj=Me,ft=!0);for(Zc=1;Zc<=ia.z[Yd];++Zc)Mc=ia.G[Yd][Zc],Le=DH(ia,Yd,Mc),1!=ia.s[Le]||5==ia.i[Le]||(0==Ne?Ne=Mc:vf=Mc);0<uf[vf]&&uf[Ne]>uf[vf]&&(dn=Ne,Ne=vf,vf=dn);Rj=Ne;0==Ne&&(Rj=vf,gt=!0);Pj=RH(ia,DH(ia,wf,Zd),wf);Qj=RH(ia,DH(ia,wf,Me),wf);WI=RH(ia,DH(ia,Yd,Ne),Yd);XI=RH(ia,DH(ia,Yd,vf),Yd);1<(0>Pj+Qj?-(Pj+Qj):Pj+Qj)||0!=WI||0!=XI?Tr(ia.n,"Bad stereoinfo on allene !"):
(en=ia.J[rc[$c-1]]-ia.J[Yd],fn=ia.M[rc[$c-1]]-ia.M[Yd],Sj=Math.sqrt(en*en+fn*fn),0.001>Sj&&(Sj=0.001),0<(ia.M[Rj]-ia.M[rc[$c-1]])*(en/Sj)-(ia.J[Rj]-ia.J[rc[$c-1]])*(fn/Sj)?Yc[Nc]=1:Yc[Nc]=-1,ft&&(Yc[Nc]*=-1),gt&&(Yc[Nc]*=-1),Oj==Zd&&0>Pj&&(Yc[Nc]*=-1),Oj==Me&&0>Qj&&(Yc[Nc]*=-1),uf[Oj]>uf[Rj]&&(Yc[Nc]*=-1))}}else b:{var sc=a,tc=Ma,aN=SI,bN=Dh,cN=o,dN=n,eN=$M,gn=Ud,hn=void 0,ad=void 0,ht=void 0,Eh=void 0,Ba=void 0,Fh=void 0,Ad=void 0,Tj=void 0,$d=void 0,Pb=void 0,ea=void 0,Gb=void 0,Oe=void 0,jn=void 0,
bd=void 0,ma=void 0,kn=void 0,Gb=v(H,k,-1,4,1),jn=v(H,k,-1,4,1),Gh=sc,ae=tc,YI=bN,it=aN,ZI=cN,$I=dN,fN=eN,Hb=Gb,Uj=void 0,cd=void 0,ln=void 0,mn=void 0,jt=void 0,Vj=void 0,Vj=-1;0<it[ae]&&(Hb[++Vj]=it[ae]);for(cd=1;cd<=fN;++cd)ZI[cd]==ae&&(Hb[++Vj]=$I[cd]),$I[cd]==ae&&(Hb[++Vj]=ZI[cd]);for(cd=Vj+1;cd<Gh.z[ae];++cd){jt=Gh.t+1;ln=1;c:for(;ln<=Gh.z[ae];++ln){Uj=Gh.G[ae][ln];for(mn=0;mn<cd;++mn)if(Uj==Hb[mn])continue c;YI[Uj]<jt&&(jt=YI[Uj],Hb[cd]=Uj)}}0==it[ae]&&0<Gh.x[ae]?(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=
Hb[0],Hb[0]=-1):0<Gh.x[ae]&&(Hb[3]=Hb[2],Hb[2]=Hb[1],Hb[1]=-1);for(Ba=Tj=Fh=Eh=kn=Ad=Pb=0;4>Ba;++Ba)0>=Gb[Ba]||(hn=DH(sc,tc,Gb[Ba]),jn[Ba]=RH(sc,hn,tc),0<jn[Ba]?(++Pb,kn=Gb[Ba],Fh=Gb[Ba]):0>jn[Ba]?(++Ad,Eh=Gb[Ba],Fh=Gb[Ba]):Tj=Gb[Ba]);$d=Pb+Ad;ma=v(H,k,-1,4,1);bd=0;if(3==sc.z[tc]){if(1==Pb&&1==Ad||3==$d&&0<Pb&&0<Ad){Tr(sc.n,"Error in C3H stereospecification !");break b}Oe=Gb[0];1==$d?Oe=Fh:2==$d&&(Oe=Tj);ea=BH(sc,tc,Oe,Gb);ma[0]=Fh;ma[1]=-1;ma[2]=ea[2];ma[3]=ea[1];0<Pb?bd=1:bd=-1}else if(4==sc.z[tc])if(1==
$d)ea=BH(sc,tc,Fh,Gb),ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],0<Pb?bd=1:bd=-1;else{Oe=Gb[0];1<Tj&&(Oe=Tj);1==Pb?Oe=kn:1==Ad&&(Oe=Eh);ea=BH(sc,tc,Oe,Gb);ad=v(H,k,-1,4,1);for(Ba=0;4>Ba;++Ba)hn=DH(sc,tc,ea[Ba]),ad[Ba]=RH(sc,hn,tc);if(4==$d){if(0==Pb||0==Ad){Tr(sc.n,"Error in C4 stereospecification !");break b}if(1==Pb||1==Ad)ma[0]=ea[0],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[1],bd=ad[0];else{for(Ba=0;4>Ba;++Ba)-1==ad[Ba]&&(ad[Ba]=0);$d=2}}else if(3==$d)if(3==Pb||3==Ad)ma[0]=ea[0],ma[1]=ea[3],ma[2]=
ea[2],ma[3]=ea[1],0<Pb?bd=-1:bd=1;else{1==Pb?Pb=ht=1:Ad=ht=-1;for(Ba=0;4>Ba;++Ba)ad[Ba]==ht&&(ad[Ba]=0);$d=2}if(2==$d)if(1==Pb&&1==Ad)ea[1]==Eh?(ea[1]=ea[2],ea[2]=ea[3]):ea[2]==Eh&&(ea[2]=ea[3]),ma[0]=kn,ma[1]=Eh,ma[2]=ea[2],ma[3]=ea[1],bd=1;else{if(ad[0]==ad[1]||ad[1]==ad[2]){Tr(sc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=ad[0]?(ma[0]=ea[0],ma[1]=ea[2],ma[2]=ea[1],ma[3]=ea[3]):(ma[0]=ea[1],ma[1]=ea[3],ma[2]=ea[2],ma[3]=ea[0]);1<Pb?bd=1:bd=-1}}var W=ma,Wj=Gb,kb=void 0;Wj[0]==W[1]?(kb=
W[0],W[0]=W[1],W[1]=kb,kb=W[2],W[2]=W[3],W[3]=kb):Wj[0]==W[2]?(kb=W[2],W[2]=W[0],W[0]=kb,kb=W[1],W[1]=W[3],W[3]=kb):Wj[0]==W[3]&&(kb=W[3],W[3]=W[0],W[0]=kb,kb=W[1],W[1]=W[2],W[2]=kb);Wj[1]==W[2]?(kb=W[1],W[1]=W[2],W[2]=kb,kb=W[2],W[2]=W[3],W[3]=kb):Wj[1]==W[3]&&(kb=W[1],W[1]=W[3],W[3]=kb,kb=W[2],W[2]=W[3],W[3]=kb);ma[2]==Gb[2]?gn[tc]=1:ma[2]==Gb[3]?gn[tc]=-1:Tr(sc.n,"Error in stereoprocessing ! - t30");gn[tc]*=bd}}}Va=new kF;i=v(H,k,-1,a.t+1,1);for(q=1;q<=a.t;++q)i[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];
O[c]&&(Va.b.b+=ua);0<tb[q]&&SH(a,c,tb[c],Va,Td);var Hh=w[c],Ib=void 0,Xj=void 0,Ih=void 0,T=void 0,T=Rc,Ib=!1;0!=a.A[c]&&(Ib=!0);0!=Ud[c]&&(Ib=!0);Ih=-1;for(Xj=1;Xj<=a.y;++Xj)if(a.q[Xj][0]==c){Ih=a.q[Xj][1];break}-1<Ih&&(Ib=!0);a.n.Ib&&0<a.e[c]&&(Ib=!0,Ih=1);switch(a.c[c]){case 2:T=Ab;break;case 3:Hh?T="c":T=Fb;break;case 4:Hh?(T=Hf,0<a.x[c]&&(Ib=!0)):T=gc;break;case 5:Hh?T="o":T=nc;break;case 7:Hh?(T="p",0<a.x[c]&&(Ib=!0)):T=qc;break;case 8:Hh?T=sg:T=Ec;break;case 13:Hh?T=xg:T=Gc;Ib=!0;break;case 6:T=
Jc;Ib=!0;break;case 9:T=Tb;break;case 10:T=Mb;break;case 11:T=Db;break;case 12:T=Zb;break;case 1:T=Xb;Ib=!0;break;case 19:T=uc;Ib=!0;break;case 20:T=vc;Ib=!0;break;case 21:T=wc;Ib=!0;break;case 22:T=xc;Ib=!0;break;case 18:Ib=!0,T=a.o[c],(D(T,wa)||D(T,Wc)||D(T,wb))&&(Ib=!1)}Ib&&(T=Sc+T,1==Ud[c]?T+=ub:-1==Ud[c]&&(T+=vb),1==a.x[c]?T+=Xb:1<a.x[c]&&(T+=Xb+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=ya:T+=Ca,1<$j(a.A[c])&&(T+=$j(a.A[c]))),-1<Ih&&(T+=mb+Ih),T+=Uc);zn(Va.b,T);for(A=1;A<=pc;++A)if(o[A]==c||n[A]==c)d=
n[A],d==c&&(d=o[A]),i[c]<i[d]&&SH(a,o[A],n[A],Va,Td),9<A&&(Va.b.b+="%"),yn(Va,j+(new R(A)).b);Sd[c]&&(Va.b.b+=va)}return Va.b.b}
function UG(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.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.c[e]=a.c[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.e[e]=a.e[e+1];a.d[e]=a.d[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)rE(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 VG(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.f[e]=a.f[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]&&UG(a,c);0==a.z[d]&&UG(a,d)}
function MH(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.c[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=DH(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Jb)&&UG(a,c)}}}function JH(a){var b;b=a.c.length;a.G=At([b,7]);a.z=v(H,k,-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 OH(a,b,c){var d,e,f,g,i,h,l,m,o;a.i=v(H,k,-1,a.u+1,1);o=v(LH,r,-1,a.t+1,2);for(h=1;h<=a.t;++h){o[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[DH(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:o[h]=!0;break;case 18:o[h]=!0}}for(i=1;i<=a.u;++i)1==a.s[i]?a.i[i]=1:KH(a,i)?a.i[i]=2:3==a.s[i]&&(a.i[i]=3);i=1;a:for(;i<=a.u;++i)if(c[i]&&(f=a.H[i],g=a.I[i],o[f]&&o[g])){d=v(LH,r,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h],
e!=g&&o[e]&&(d[e]=!0);for(m=!1;;){for(h=1;h<=a.t;++h){m=!1;if(d[h]&&o[h]&&h!=f)for(l=1;l<=a.z[h];++l){e=a.G[h][l];if(e==g){b[f]=!0;b[g]=!0;a.i[i]=5;continue a}!d[e]&&o[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function iG(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=L(K(cF((a.J[b]+a.J[c])/2))),a.N[d]=L(K(cF((a.M[b]+a.M[c])/2)))}function NH(a,b){var c;for(c=1;c<=a.u;++c)FG(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function DG(a,b){var c;c=(PF(),hE)[a.c[b]];18==a.c[b]&&(c=a.o[b]);return c}
function KH(a,b){return 2==a.s[b]?!0:!1}function FG(a,b,c){var d,e,f,g;g=1;a.b=v(H,k,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
function gH(a){var b,c;a.n.R=!0;if(a.n.Ib)a.k=-1,0==a.e[a.D]?a.e[a.D]=4:a.e[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=At([b+5,2]),lF(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 fE(a){var b;a.y=0;a.r=0;rH(a);for(b=1;b<=a.t;++b)a.D=b,gH(a);a.D=0}
function TG(a){var b,c;b=v(fG,r,-1,4,1);gG(a,b);c=a.n.C.c;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function bG(a,b){var c,d,e,f,g,i,h,l;c=v(fG,r,-1,4,1);gG(a,c);d=c[0];e=c[1];i=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]*i,l=-a.J[g]*i+a.M[g]*f,a.J[g]=h,a.M[g]=l;gG(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]}
function pH(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 XG(a,b,c){var d,e,f,g,i;if(0==c.indexOf(Sc)&&eF(c,Uc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Xb);g=Zj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){i=so(c,d+1);try{a.n.y=mD(i,10)}catch(h){if(h=Ti(h),y(h,119))a.n.y=0;else throw h;}a.D=b;gH(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.c[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.c[b]=D(d,Fb)?3:D(d,Ab)?2:D(d,gc)?4:D(d,nc)?5:D(d,qc)?7:D(d,Ec)?8:D(d,Tb)?9:D(d,Mb)?10:D(d,Db)?11:D(d,Zb)?12:D(d,Xb)?1:D(d,Gc)?13:D(d,Jc)?6:D(d,uc)?19:D(d,vc)?20:D(d,wc)?21:D(d,xc)?22:18;18==a.c[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=dF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.x[b]=d);d=0;if(0<g&&(e=dF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=dF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=dF(c,g++);for(;45==e;)--d,e=dF(c,g++)}a.A[b]=d}}}
function kE(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new GD(b);try{for(;b.k=zD(b,b.b),b.k<b.j;)d=ZE(mD(CD(b),10)).b,c=e=ZE(mD(CD(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Ti(f),y(f,119))wn(f);else throw f;}}function SH(a,b,c,d,e){b=DH(a,b,c);5!=a.i[b]&&KH(a,b)?d.b.b+=qb:3==a.s[b]?d.b.b+=la:9==a.s[b]?(e=sb,a=a.f[b],null!=a&&(e=a),zn(d.b,e)):1==e[b]?d.b.b+=Ya:-1==e[b]&&(d.b.b+=Tc)}
function hH(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,Tr(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:Tr(a.n,"Stereomarking allowed only on single and double bonds!")}
function QH(a,b,c,d,e){var f,g,i,h,l,m,o,n,q;if(!(2!=a.s[b]||5==a.i[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);o=m=b=0;n=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:o=g);0<o&&c[m]>c[o]&&(g=m,m=o,o=g);h=DH(a,e,m);0!=d[h]?b=m:1==a.s[h]&&5!=a.i[h]&&(b=m);0==b&&(h=DH(a,e,o),0!=d[h]?b=o:1==a.s[h]&&5!=a.i[h]&&(b=o));c[b]>c[e]&&(n=!0);i=o=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==o?o=g:i=g);0<i&&c[o]<c[i]&&(g=o,
o=i,i=g);h=DH(a,f,o);1==a.s[h]&&5!=a.i[h]&&0==d[h]&&(m=o);0==m&&(h=DH(a,f,i),1==a.s[h]&&5!=a.i[h]&&(m=i));if(!(0==b||0==m))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(h*h+g*g),0.001>l&&(l=0.001),g/=l,h/=l,o=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*h-(a.J[m]-a.J[e])*g,2>(0>=o?0-o:o)||2>(0>=q?0-q:q))Tr(a.n,"Not unique E/Z geometry !");else{i=DH(a,b,e);f=DH(a,m,f);m=1;if(0==d[i]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(h=DH(a,b,g),0!=d[h])){c[g]>c[b]?m=-d[h]:m=d[h];break}d[i]=m}0==
d[f]&&(0<o&&0<q||0>o&&0>q?d[f]=-d[i]:d[f]=d[i],n&&(d[f]=-d[f]))}}}function IH(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=DH(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(KH(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function RH(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 WG(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=IH(c,d);if(-1==e)c.x[d]=0;else{switch(c.c[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]=
4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==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);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==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]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]=
0}0>c.x[d]&&(c.x[d]=0)}}}function jG(a){AH(this);this.n=a;this.y=this.u=this.t=0}
function KG(a,b){var c,d,e,f,g,i,h;jG.call(this,a);f=j;i=IG(b);if(null!=i){h=new FD(b,i,!0);for(e=1;4>=e;++e)f=JG(h,i);g=ZE(mD(ko(f.substr(0,3)),10)).b;c=ZE(mD(ko(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)iH(this),f=JG(h,i),this.J[e]=(new YE(VE(ko(f.substr(0,10))))).b,this.M[e]=-(new YE(VE(ko(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=ko(f.substr(31,d-31)),XG(this,e,d),62<=f.length&&(f=ko(f.substr(60,3)),0<f.length&&(f=ZE(mD(f,10)).b,0<f&&(this.D=e,a.y=f,gH(this),this.D=0)));for(e=1;e<=c;++e)nH(this),
f=JG(h,i),this.H[e]=ZE(mD(ko(f.substr(0,3)),10)).b,this.I[e]=ZE(mD(ko(f.substr(3,3)),10)).b,g=ZE(mD(ko(f.substr(6,3)),10)).b,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=ZE(mD(ko(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);JH(this);pH(this);hG(this);for(AE(this);(h.k=zD(h,h.b),h.k<h.j)&&!(null==(f=CD(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new ED(f);CD(g);CD(g);i=ZE(mD(CD(g),10)).b;
for(e=1;e<=i;++e)c=ZE(mD(CD(g),10)).b,this.A[c]=ZE(mD(CD(g),10)).b}if(0==f.indexOf("M APO")){g=new ED(f);CD(g);CD(g);i=ZE(mD(CD(g),10)).b;for(e=1;e<=i;++e)c=ZE(mD(CD(g),10)).b,f=ZE(mD(CD(g),10)).b,this.D=c,$(this,0),XG(this,this.t,uc+f),this.D=0}}MH(this);AE(this)}}
function zE(a,b){var c,d,e,f,g;jG.call(this,a);0==b.indexOf(fa)&&(b=b.substr(1,b.length-1));eF(b,fa)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new ED(b);d=ZE(mD(CD(f),10)).b;e=ZE(mD(CD(f),10)).b;for(c=1;c<=d;++c)g=CD(f),iH(this),XG(this,this.t,g),this.J[c]=(new YE(VE(CD(f)))).b,this.M[c]=-(new YE(VE(CD(f)))).b;for(c=1;c<=e;++c)if(nH(this),this.H[c]=ZE(mD(CD(f),10)).b,this.I[c]=ZE(mD(CD(f),10)).b,this.s[c]=ZE(mD(CD(f),10)).b,-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;JH(this);pH(this);hG(this)}catch(i){i=Ti(i);if(y(i,119)){i.Bc();this.t=0;return}throw i;}MH(this);AE(this)}}
function MG(a,b,c){var d,e,f;jG.call(this,a);f=v(H,k,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.b[a]==c&&(iH(this),this.c[this.t]=b.c[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.e[this.t]=b.e[a],this.d[this.t]=b.d[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.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))nH(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.f[this.u]=b.f[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.k=b.k;AE(this);hG(this)}
function $G(a,b,c){var d,e,f,g,i;jG.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.c=v(H,k,-1,this.t+1,1);this.A=v(H,k,-1,this.t+1,1);this.x=v(H,k,-1,this.t+1,1);this.e=v(H,k,-1,this.t+1,1);this.d=v(Lt,r,1,this.t+1,0);this.J=v(fG,r,-1,this.t+1,1);this.M=v(fG,r,-1,this.t+1,1);this.o=v(Lt,r,1,this.t+1,0);this.H=v(H,k,-1,this.u+1,1);this.I=v(H,k,-1,this.u+1,1);this.s=v(H,k,-1,this.u+1,1);this.f=v(Lt,r,1,this.u+1,0);this.B=v(H,k,-1,this.u+1,1);this.q=At([this.y+1,2]);
f=i=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].t;++d)++e,this.c[e]=b[a].c[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.e[e]=b[a].e[d],this.d[e]=b[a].d[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.f[g]=b[a].f[d];for(d=1;d<=b[a].y;++d)++i,this.q[i][0]=b[a].q[d][0]+f,this.q[i][1]=b[a].q[d][1];f=e}AE(this);hG(this)}
function WF(a){var b;AH(this);this.n=a.n;this.t=a.t;this.u=a.u;this.y=a.y;this.c=v(H,k,-1,this.t+1,1);lF(a.c,this.c,this.t+1);this.A=v(H,k,-1,this.t+1,1);lF(a.A,this.A,this.t+1);this.x=v(H,k,-1,this.t+1,1);lF(a.x,this.x,this.t+1);this.e=v(H,k,-1,this.t+1,1);lF(a.e,this.e,this.t+1);this.d=v(Lt,r,1,this.t+1,0);lF(a.d,this.d,this.t+1);this.J=v(fG,r,-1,this.t+1,1);lF(a.J,this.J,this.t+1);this.M=v(fG,r,-1,this.t+1,1);lF(a.M,this.M,this.t+1);this.o=v(Lt,r,1,this.t+1,0);lF(a.o,this.o,this.t+1);this.H=v(H,
k,-1,this.u+1,1);lF(a.H,this.H,this.u+1);this.I=v(H,k,-1,this.u+1,1);lF(a.I,this.I,this.u+1);this.s=v(H,k,-1,this.u+1,1);lF(a.s,this.s,this.u+1);this.f=v(Lt,r,1,this.u+1,0);lF(a.f,this.f,this.u+1);this.B=v(H,k,-1,this.u+1,1);lF(a.B,this.B,this.u+1);this.q=At([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.k=a.k}
function qH(a,b,c){var d,e,f;if(0==c)return YG(I(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=L(K(cF(a*Math.pow(10,c))))/Math.pow(10,c);e=j+(new YE(a)).b;d=lo(e,mo(46));0>d&&(e+=Xa,d=lo(e,mo(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=ab;if(0==b)return e;e.length>b&&(e=sb);c=j;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function IG(a){var b;b=new FD(a,aa,!0);if(4<yD(b))return aa;b=new FD(a,lh,!0);return 4<yD(b)?lh:null}
function YG(a,b){var c,d,e;d=j+(new R(a)).b;d.length>b&&(d=sb);e=j;for(c=1;c<=b-d.length;++c)e+=ba;return e+d}function JG(a,b){for(var c,d;a.k=zD(a,a.b),a.k<a.j;){d=CD(a);if(D(d,b))return ba;for(CD(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}s(547,1,{135:1},jG,KG,zE,MG,$G,WF);_.b=null;_.i=null;_.k=0;_.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 Ur(){Ur=u;Vr=new FC(Xb)}
function QG(a,b){var c;Ur();var d;KF.call(this);this.d=new dB("Help");new dB("Home");this.e=b;N(this,(PF(),qE));this.ac&&UB(this.ac.d,!1);RB(this,!1);d=Iz(b);if(1==a)this.f||(this.f=new mC(d),IF(this.f,-30,0)),this.k=this.f,c=uE(b),this.ac&&TB(this.ac.d.I.c,Fc),oA(this,new ZA(2)),this.i=new FC(c+" "),P(this,this.i,Lb),d=new sA,P(d,this.j,null),this.e.Cb&&(c=new dB("Submit"),P(d,c,null)),P(this,d,Kc),EC(this.i,ko(xo(this.i.ac.b.pb,dh))),this.ac&&UB(this.ac.d,!0),RB(this,!0);else if(2==a)this.c||
(this.c=new mC(d),IF(this.c,-50,13*b.Y-80)),this.k=this.c,this.ac&&TB(this.ac.d.I.c,"Nonstandard atom"),oA(this,new ZA(2)),c=new sA,P(c,new fC("atomic SMILES",1),null),P(this,c,lc),c=Xb,Vr&&(c=xo(Vr.ac.b.pb,dh)),Vr=new GC(c,8),P(this,Vr,Lb),c=new sA,P(c,this.j,null),P(this,c,Kc);else{this.b||(this.b=new mC(d),IF(this.b,5*b.Y,0));var e,f;d="About "+(PF(),aE);this.ac&&TB(this.ac.d.I.c,d);oA(this,new bC(0));N(this,qE);P(this,new fC(aE+" Molecular Editor v2013-05-01",1),null);P(this,new fC("Peter Ertl and Bruno Bienfait",
1),null);for(c=QF,d=0,f=c.length;d<f;++d)e=c[d],e=new fC(e,1),Vz(e,this.e.x),P(this,e,null);c=new sA;P(c,this.d,null);P(c,this.j,null);P(this,c,null);this.k=this.b}QB(this);c=this.k;JF(this.ac.d,c.b,c.c);!Hz(this)&&lA(this);Wz(this)}s(548,539,si,QG);_.Gf=function(a){var b,c;if(a.i===this.d){try{b=new gD(this.e.H),c=fD(b),$wnd.open(c,"_blank",j)}catch(d){if(d=Ti(d),y(d,110))a=this.e,b=d.i,a.jb=!0,a.J="ERROR - "+b,QD(a);else throw d;}return!0}return!1};_.b=null;_.c=null;_.e=null;_.f=null;_.i=null;var Vr;
function TH(a,b){Gz(b)==a.b?N(b,(jB(),rB)):N(b,a.b)}
function UH(a){var b,c,d,e;e=j;d=!1;Gz(VH)!=a.b?(e=wa,d=!0):Gz(WH)!=a.b?(e="!#6",d=!0):Gz(XH)!=a.b?(N(YH,(jB(),rB)),N(ZH,rB),N($H,rB),N(aI,rB),e="F,Cl,Br,I"):(b=Gz(bI)!=a.b,c=Gz(cI)!=a.b,Gz(dI)!=a.b&&(b?e+="c,":c?e+="C,":e+="#6,"),Gz(eI)!=a.b&&(b?e+="n,":c?e+="N,":e+="#7,"),Gz(fI)!=a.b&&(b?e+="o,":c?e+="O,":e+="#8,"),Gz(gI)!=a.b&&(b?e+="s,":c?e+="S,":e+="#16,"),Gz(hI)!=a.b&&(b?e+="p,":c?e+="P,":e+="#15,"),Gz(YH)!=a.b&&(e+="F,"),Gz(ZH)!=a.b&&(e+="Cl,"),Gz($H)!=a.b&&(e+="Br,"),Gz(aI)!=a.b&&(e+="I,"),
eF(e,za)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.c&&(b?e=Wc:c?e=wb:(N(VH,(jB(),rB)),e=wa)));b=j;d&&Gz(bI)!=a.b&&(b+=";a");d&&Gz(cI)!=a.b&&(b+=";A");Gz(iI)!=a.b&&(b+=";R");Gz(jI)!=a.b&&(b+=";!R");Gz(VH)!=a.b&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=kI.ac.b.pb.selectedIndex;0<d&&(--d,e+=";H"+d);d=lI.ac.b.pb.selectedIndex;0<d&&(--d,e+=";D"+d);Gz(mI)!=a.b&&(e="~");Gz(nI)!=a.b&&(e=mb);Gz(oI)!=a.b&&(e=ub);Gz(pI)!=a.b&&(e="!@");EC(a.f,e)}
function qI(a){rI(a);sI(a);var b=kI.ac.b;ly(b,0);b.pb.options[0].selected=!0;b=lI.ac.b;ly(b,0);b.pb.options[0].selected=!0;N(bI,a.b);N(cI,a.b);N(iI,a.b);N(jI,a.b);N(kI,a.b);N(lI,a.b);tI(a)}function rI(a){N(dI,a.b);N(eI,a.b);N(fI,a.b);N(gI,a.b);N(hI,a.b);N(YH,a.b);N(ZH,a.b);N($H,a.b);N(aI,a.b)}function sI(a){N(VH,a.b);N(WH,a.b);N(XH,a.b)}function tI(a){N(mI,a.b);N(nI,a.b);N(oI,a.b);N(pI,a.b);a.c=!1}
function RG(a){SB.call(this,"Atom/Bond Query");this.j=new dB(this.Ff());DA(this.r,new LF(this));this.b=(PF(),qE);this.d=a;this.e||(a=Iz(a),this.e=new mC(a),IF(this.e,-150,10));this.k=this.e;oA(this,new aC);N(this,this.b);a=new sA;oA(a,new GB(0,3,1));P(a,new eC("Atom type :"),null);VH=new dB(yb);WH=new dB("Any except C");XH=new dB("Halogen");P(a,VH,null);P(a,WH,null);P(a,XH,null);P(this,a,null);a=new sA;oA(a,new GB(0,3,1));P(a,new fC("Or select one or more from the list :",0),null);P(this,a,null);
a=new sA;oA(a,new GB(0,3,1));dI=new dB(Fb);eI=new dB(gc);fI=new dB(nc);gI=new dB(Ec);hI=new dB(qc);YH=new dB(Tb);ZH=new dB(Mb);$H=new dB(Db);aI=new dB(Zb);P(a,dI,null);P(a,eI,null);P(a,fI,null);P(a,gI,null);P(a,hI,null);P(a,YH,null);P(a,ZH,null);P(a,$H,null);P(a,aI,null);P(this,a,null);a=new sA;oA(a,new GB(0,3,1));kI=new hB;gB(kI,yb);gB(kI,ab);gB(kI,cb);gB(kI,jb);gB(kI,lb);P(a,new eC("Number of hydrogens : "),null);P(a,kI,null);P(this,a,null);a=new sA;oA(a,new GB(0,3,1));lI=new hB;gB(lI,yb);gB(lI,
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