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a.pb&&IA(b,h+1,g+1,a.Y,a.Y,!1);X(b,$z);pD(a,b,h,g,"NEW");break;case 106:X(b,aA);Y(b,h+7,g+7,h+a.Y-7,g+a.Y-7);Y(b,h+8,g+7,h+a.Y-6,g+a.Y-7);Y(b,h+7,g+a.Y-7,h+a.Y-7,g+7);Y(b,h+8,g+a.Y-7,h+a.Y-6,g+7);X(b,$z);Y(b,h+c,g+~~(a.Y/2),h+12,g+~~(a.Y/2));pD(a,b,h+6,g,rc);break;case 104:X(b,aA);Y(b,h+7,g+7,h+a.Y-7,g+a.Y-7);Y(b,h+8,g+7,h+a.Y-6,g+a.Y-7);Y(b,h+7,g+a.Y-7,h+a.Y-7,g+7);Y(b,h+8,g+a.Y-7,h+a.Y-6,g+7);X(b,$z);break;case 105:a.Nb?(X(b,eA),Y(b,h+11,g+5,h+9,g+9),Y(b,h+9,g+9,h+4,g+9),Y(b,h+4,g+9,h+8,g+12),Y(b,
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break;case 203:Y(b,h+c,g+~~(a.Y/2)-2,h+a.Y-c,g+~~(a.Y/2)-2);Y(b,h+c,g+~~(a.Y/2)+2,h+a.Y-c,g+~~(a.Y/2)+2);break;case 204:Y(b,h+c,g+~~(a.Y/2),h+a.Y-c,g+~~(a.Y/2));Y(b,h+c,g+~~(a.Y/2)-3,h+a.Y-c,g+~~(a.Y/2)-3);Y(b,h+c,g+~~(a.Y/2)+3,h+a.Y-c,g+~~(a.Y/2)+3);break;case 205:Y(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));Y(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));Y(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:rD(a,b,h,g+2,3);break;case 207:rD(a,b,h,g,4);break;
case 208:rD(a,b,h,g,5);break;case 209:rD(a,b,h,g,1);break;case 210:rD(a,b,h,g,6);break;case 211:rD(a,b,h,g,7);break;case 212:rD(a,b,h,g,8);break;case 213:pD(a,b,h,g,"FG"),a.F=new YA(h,g)}else d=3,301==f?d=3:401==f?d=4:501==f?d=5:601==f?d=8:701==f?d=9:801==f?d=10:901==f?d=11:1001==f?d=12:1101==f?d=7:1201==f?d=18:1301==f&&(d=19),(a.Rb||1201!=f)&&null!=GC[d]&&qD(a,b,h,g,EC[d],GC[d])}
function sD(a){var b,c,d;a.kb&&(null==a.J&&(a.J=l),d=a.I.a,c=a.C.b-a.Y,b=a.Y,X(d,CC),JA(d,0,0,c,b),a.ob?(X(d,(Tz(),Yz)),jD(d,-1,0,c,b-1)):(X(d,DC),Y(d,0,0,c-1-2,0),X(d,iA(CC)),Y(d,0,b-1,c-1,b-1),Y(d,c-1,0,c-1,b-1)),tD(d,a.X),X(d,(Tz(),$z)),-1!=a.J.toLowerCase().indexOf(he)&&X(d,aA),uD(d,a.J,10,15),vD(a.Ub,a.I,a.Y,a.C.a-a.Y))}
function wD(a){var b,c,d,e;if(a.lb){d=a.Q.a;c=a.Y;b=a.C.a-2*a.Y-a.S;X(d,CC);JA(d,0,0,c,b);a.ob?(X(d,(Tz(),Yz)),Y(d,0,b-1,c,b-1),e=xD*(a.Y+a.S)+2,Y(d,0,e,c,e),Y(d,0,e,0,b),Y(d,a.Y-1,e,a.Y-1,b-a.Y)):(X(d,DC),Y(d,0,0,0,b-1),Y(d,0,xD*a.Y,b-1,xD*a.Y),X(d,iA(CC)),Y(d,c-1,0,c-1,b-1-a.Y),Y(d,0,b-1,c-1,b-1));for(b=3;b<=xD+2;++b)iD(a,d,1,b);vD(a.Ub,a.Q,0,2*a.Y+a.S)}}
function yD(a){var b,c,d,e;if(a.mb){e=a.cb.a;c=a.C.b-a.Y;b=a.C.a-3*a.Y-a.S;X(e,a.t);JA(e,0,0,c,b);d=a.db?(fB(),iB):(fB(),kB);if((fB(),gB)==(fB(),gB))d==iB?e.a=mb:e.a=lb;d=new rz(a.eb);(e.n=d)&&d&&(e.b=' strokeweight="'+d.e+'px" ');for(d=1;d<=a.ub;++d){var f=a.fb[d],g=e,j=void 0,h=void 0,n=void 0,o=void 0,r=void 0,q=n=void 0,u=void 0,v=void 0,D=void 0,G=D=r=o=void 0,J=void 0,Q=void 0,tb=o=v=r=j=void 0,V=o=j=void 0,L=h=r=h=void 0,da=D=Q=void 0,J=h=q=r=r=G=u=L=j=V=V=v=L=J=q=V=L=u=da=q=J=n=Q=o=v=v=G=
J=void 0,D=Q=1,n=2,da=3;f.w&&(dD(f),aD(f.n,1,f.n.ub,0),f.w=!1);n*=f.n.B;da*=f.n.B;j=1;0.7>f.n.B&&(j=1.2);j=N(M(zD(13*f.n.B*j)));AD(f.n,j);f.n.A&&(X(g,(Tz(),$z)),jD(g,0,0,f.n.C.b-1,f.n.C.a-1));if(0!=f.t){if(-1==f.j){o=N(M(Math.round(12*n)));for(j=1;j<=f.t;++j)0<f.d[j]&&7>f.d[j]&&(X(g,(AC(),HC)[f.d[j]]),h=g,r=K(f.J[j]-o/2),V=K(f.M[j]-o/2),L=u=o,kD(h,!0),lD(h,mD(h,r,V,u,L)));for(j=1;j<=f.u;++j)h=f.H[j],o=f.I[j],0!=f.d[h]&&f.d[h]==f.d[o]&&(X(g,(AC(),HC)[f.d[h]]),J=f.J[o]-f.J[h],Q=f.M[o]-f.M[h],D=Math.sqrt(J*
J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=3*da*Q,J=3*da*D,V=y(I,s,-1,4,1),r=y(I,s,-1,4,1),V[0]=K(f.J[h]+q),r[0]=K(f.M[h]-J),V[1]=K(f.J[o]+q),r[1]=K(f.M[o]-J),V[2]=K(f.J[o]-q),r[2]=K(f.M[o]+J),V[3]=K(f.J[h]-q),r[3]=K(f.M[h]+J),o=g,h=V,kD(o,!0),lD(o,BD(o,h,r,4,!0)))}for(j=1;j<=f.u;++j){X(g,(Tz(),$z));h=f.H[j];o=f.I[j];1==f.j&&0!=f.d[h]&&f.d[h]==f.d[o]&&X(g,(AC(),HC)[f.d[h]]);if(3==f.B[j]||4==f.B[j])r=h,h=o,o=r;L=f.J[h];u=f.M[h];V=f.J[o];r=f.M[o];if(1!=f.s[j]||0!=f.B[j])J=V-L,Q=r-u,D=Math.sqrt(J*J+Q*Q),1>D&&(D=
1),Q/=D,D=J/D;switch(f.s[j]){case 2:10<=f.B[j]&&X(g,dA);q=n*Q;J=n*D;Y(g,N(M(Math.round(L+q))),N(M(Math.round(u-J))),N(M(Math.round(V+q))),N(M(Math.round(r-J))));Y(g,N(M(Math.round(L-q))),N(M(Math.round(u+J))),N(M(Math.round(V-q))),N(M(Math.round(r+J))));X(g,$z);break;case 3:o=N(M(Math.round(L)));h=N(M(Math.round(u)));V=N(M(Math.round(V)));r=N(M(Math.round(r)));Y(g,o,h,V,r);L=N(M(Math.round(da*Q)));u=N(M(Math.round(da*D)));Y(g,o+L,h-u,V+L,r-u);Y(g,o-L,h+u,V-L,r+u);break;case 9:case 0:for(h=0;10>h;++h)v=
L-(L-V)/10*h,G=u-(u-r)/10*h,Y(g,N(M(Math.round(v))),N(M(Math.round(G))),N(M(Math.round(v))),N(M(Math.round(G))));tD(g,f.n.k);o=CD(f.n.n);J=f.e[j];h=rb;null!=J&&(h=J);J=nB(f.n.n,h);L=N(M(Math.round((L+V)/2-J/2)));q=N(M(Math.round((u+r)/2+~~(o/2)-1)));X(g,dA);uD(g,h,L,q);X(g,$z);break;default:if(1==f.B[j]||3==f.B[j])q=da*Q,J=da*D,G=y(I,s,-1,3,1),v=y(I,s,-1,3,1),G[0]=N(M(Math.round(V+q))),v[0]=N(M(Math.round(r-J))),G[1]=N(M(Math.round(L))),v[1]=N(M(Math.round(u))),G[2]=N(M(Math.round(V-q))),v[2]=N(M(Math.round(r+
J))),o=g,h=G,r=v,kD(o,!0),lD(o,BD(o,h,r,3,!0));else if(2==f.B[j]||4==f.B[j]){q=da*Q;J=da*D;for(h=0;10>h;++h)v=L-(L-V)/10*h,G=u-(u-r)/10*h,o=h/10,Y(g,N(M(Math.round(v+q*o))),N(M(Math.round(G-J*o))),N(M(Math.round(v-q*o))),N(M(Math.round(G+J*o))))}else Y(g,N(M(Math.round(L))),N(M(Math.round(u))),N(M(Math.round(V))),N(M(Math.round(r))))}}D=y(bD,m,-1,f.t+1,1);Q=y(I,s,-1,f.t+1,1);for(j=1;j<=f.u;++j)h=f.H[j],o=f.I[j],n=f.J[h],r=f.J[o],++Q[h],++Q[o],D[h]=D[h]/Q[h]+r/Q[h],D[o]=D[o]/Q[o]+n/Q[o];tD(g,f.n.k);
o=CD(f.n.n);J=y(Gs,m,1,f.t+1,0);V=y(I,s,-1,f.t+1,1);r=y(I,s,-1,f.t+1,1);n=y(DD,m,54,f.t+1,0);u=2;1!=f.n.B&&(u=N(M(zD(2*f.n.B))));for(j=1;j<=f.t;++j)h=ED(f,j),(null==h||1>h.length)&&(h=ta),3==f.b[j]&&0<f.z[j]&&0==f.A[j]?(J[j]=h,V[j]=r[j]=nB(f.n.n,h),n[j]=FD(f,u,j,V[j],V[j],o,!1)):(L=D[j]<f.J[j],G=!0,1<Q[j]&&(0>=D[j]-f.J[j]?0-(D[j]-f.J[j]):D[j]-f.J[j])<25*f.n.B/3&&(G=!1),2<Q[j]&&(G=!1),1==Q[j]&&(0>=D[j]-f.J[j]?0-(D[j]-f.J[j]):D[j]-f.J[j])<25*f.n.B/10&&(L=!0),q=h,tb=l,f.n.Kb&&0<f.x[j]&&(tb+=Ub,1<f.x[j]&&
(tb+=f.x[j])),v=l,0!=f.A[j]&&(1<$j(f.A[j])&&(v+=$j(f.A[j])),0<f.A[j]?v+=ua:v+=xa),L||!G?h=h+tb+v+l:h=v+tb+l+h,G||(q=h),J[j]=h,q=nB(f.n.n,q),v=nB(f.n.n,h),V[j]=q,r[j]=v,v=n[j]=FD(f,u,j,q,v,o,L),L=v.c+u+1,q=v.d+o+u,X(g,f.n.t),-1==f.j&&0!=f.d[j]&&X(g,(AC(),HC)[f.d[j]]),JA(g,v.c,v.d,v.b,v.a),1==f.j?0!=f.d[j]?X(g,(AC(),HC)[f.d[j]]):X(g,(Tz(),$z)):X(g,(AC(),EC)[f.b[j]]),uD(g,h,L,q));for(h=1;h<=f.y;++h)j=f.q[h][0],q=V[j],v=r[j],L=N(M(zD(f.J[j]-q/2))),q=N(M(zD(f.M[j]+~~(o/2)-1))),X(g,(Tz(),dA)),uD(g,ba+f.q[h][1],
L+v,q);if(0<f.D||0<f.E)if(X(g,104==f.n.c?(Tz(),aA):(Tz(),gA)),0<f.D&&106!=f.n.c&&(v=n[f.D],jD(g,v.c,v.d,v.b,v.a)),0<f.E&&(h=f.H[f.E],o=f.I[f.E],J=f.J[o]-f.J[h],Q=f.M[o]-f.M[h],D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=(da+1)*Q,J=(da+1)*D,G=y(I,s,-1,5,1),v=y(I,s,-1,5,1),G[0]=N(M(zD(f.J[h]+q))),G[1]=N(M(zD(f.J[o]+q))),v[0]=N(M(zD(f.M[h]-J))),v[1]=N(M(zD(f.M[o]-J))),G[3]=N(M(zD(f.J[h]-q))),G[2]=N(M(zD(f.J[o]-q))),v[3]=N(M(zD(f.M[h]+J))),v[2]=N(M(zD(f.M[o]+J))),G[4]=G[0],v[4]=v[0],106!=f.n.c&&(da=
g,j=G,Q=v,da.n&&(kD(da,!1),lD(da,BD(da,j,Q,5,!0)))),106==f.n.c&&GD(f,f.H[f.E],f.I[f.E]))){da=0;for(j=1;j<=f.t;++j)0<f.a[j]&&++da;if(da>~~(f.t/2))for(j=1;j<=f.t;++j)0<f.a[j]?f.a[j]=0:f.a[j]=1;X(g,(Tz(),aA));for(j=1;j<=f.t;++j)0<f.a[j]&&(v=n[j],jD(g,v.c,v.d,v.b,v.a))}}}a.z||(a.ob?(X(e,(Tz(),Yz)),Y(e,c-1,0,c-1,b-1)):(X(e,iA(CC)),Y(e,c-1,0,c-1,b-1),X(e,CC),Y(e,c-2,0,c-2,b-1),X(e,DC),Y(e,c-3,0,c-3,b-1)));a.Fb&&(d=~~((c-48)/2),X(e,(Tz(),dA)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),
Y(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.z&&(a.T=new vA(Vb,0,13),a.W=new mB(a.T),null!=a.bb&&(d=nB(a.W,a.bb),c=N(M(Math.round((c-d)/2))),b-=13,X(e,(Tz(),$z)),tD(e,a.T),uD(e,a.bb,c,b)));vD(a.Ub,a.cb,a.Y,2*a.Y+a.S)}}
function rD(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Y/4);g=!1;h=y(I,s,-1,9,1);n=y(I,s,-1,9,1);c+=~~(a.Y/2);d+=~~(a.Y/2);a=~~(a.Y/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+a*Math.sin(j)),n[f]=K(d+a*Math.cos(j));f=e+1;b.n&&(kD(b,!1),lD(b,BD(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=K(c+(a-3)*Math.sin(j)),n[f]=K(d+(a-3)*Math.cos(j));Y(b,h[0],n[0],h[1],n[1]);Y(b,h[2],n[2],h[3],n[3]);Y(b,h[4],n[4],h[5],n[5])}}
function HD(a){var b,c,d;if(a.nb){d=a.Qb.a;b=a.C.b;c=2*a.Y+a.S;X(d,CC);JA(d,0,0,b,c);a.ob?(X(d,(Tz(),Yz)),c=14*(a.Y+a.S),jD(d,c,0,b-c-1,2*a.Y+a.S-1)):(X(d,iA(CC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,DC),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;14>=b;++b)iD(a,d,b,1),iD(a,d,b,2);a.c=c;vD(a.Ub,a.Qb,0,0)}}
function oD(a,b,c,d,e){var f,g,j,h,n,o,r,q;n=~~(d/4);o=2+~~(n/2);g=2+n;q=c+~~(10*d/24);h=q+n;r=b+d;e?(j=2+b,f=o+b,g+=b):(f=r-o,j=r-2,g=r-g);Y(a,j,q,f,h);Y(a,g,q,f,h);j=~~(n/3);Y(a,f,q+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=r-f-o,h*=-1,e=-90);nD(a,b,c+o-j,f,d-4-j-1,e,h)}
function ID(a,b,c){var d,e,f,g,j,h;JD(a,c);if(0==b.indexOf("$RXN")){a.Fb=!0;a.jb=!0;j=KD(b);b=new uC(b,j,!0);e=l;for(d=1;5>=d;++d)e=LD(b,j);d=MD($B(co(e.substr(0,3)),10)).a;g=MD($B(co(e.substr(3,3)),10)).a;LD(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=LD(b,j),null==h||F(h,"$MOL"));)f+=h+j;a.fb[++a.ub]=new ND(a,f)}aD(a,1,d,1);aD(a,d+1,d+g,3)}else{a.Fb=!1;a.Z=new ND(a,b);if(!a.Z||0==a.Z.t)return a.kb=!0,a.J="ERROR - problems in reading/processing MOL input",YC(a),!1;null!=a.i&&a.Z&&OD(a.Z,a.i,!0);null!=a.j&&
a.Z&&OD(a.Z,a.j,!1);j=PD(a.Z,!1);if(1==j)a.fb[++a.ub]=a.Z;else{a.jb=!0;for(e=1;e<=j;++e)a.fb[++a.ub]=new QD(a,a.Z,e)}a.e=1;a.Z=a.fb[a.e];aD(a,1,j,0)}c&&YC(a);return!0}function Kq(a,b){a.kb=!0;a.J=b}function AD(a,b){100>b&&(!JC[b]&&(JC[b]=new vA(Vb,0,b)),!LC[b]&&os(LC,b,new mB(JC[b])),a.k=JC[b],a.n=LC[b])}
function Oq(a,b){var c,d;if(0==b)return!1;XC(a);c=a.c;a.c=b;if(300>=b)switch(a.nb=!0,a.lb=!0,b){case 102:fD(a);break;case 110:a.mb=!0;a.c=c;a.$.a!=a.$.b&&a.$.a.b!=a.$.b?a.f&&(++a.ub,a.e=a.ub,a.f=!1):(a.kb=!0,a.J="No more undo");if(!(a.$.a!=a.$.b&&a.$.a.b!=a.$.b))break;RD(a,SD(a.$));a.mb=!0;break;case 111:a.c=c;if(a.$.a.c)a.f&&(++a.ub,a.e=a.ub,a.f=!1);else{a.kb=!0;a.J="No more redo";break}if(!a.$.a.c)break;d=a.$;if(!d.a.c)throw new $u("Cannot redo. Index is out of range.");if(!d.a.c)throw new $u(Yb);
d.a=d.a.c;RD(a,d.a.a);a.mb=!0;break;case 152:a.c=c;d=a.Hb;d.a<d.c-1?(++d.a,d=Vt(d,d.a)):d=null;null==d?(a.kb=!0,a.J=hc):(Kq(a,dc+(a.Hb.a+1)+ca+a.Hb.c),d=TD(d),UD(a,d,!1,!0),null!=a.sb&&wC(a.sb,null));break;case 151:a.c=c;d=a.Hb;0<d.a?(--d.a,d=Vt(d,d.a)):d=null;null==d?(a.kb=!0,a.J=hc):(Kq(a,dc+(a.Hb.a+1)+ca+a.Hb.c),d=TD(d),UD(a,d,!1,!0),null!=a.sb&&wC(a.sb,null));break;case 101:a.Lb&&VD(a.Lb);a.Lb=new WD(1,a);a.c=c;break;case 107:!a.Db?a.Db=new XD(a):a.Db.gc.c.$?YD(a.Db.gc.c):ZD(a.Db);break;case 114:a.b&&
VD(a.b);a.b=new WD(0,a);a.c=c;break;case 103:a.mb=!0;a.pb=!0;a.c=c;break;case 105:a.mb=!0;a.q&&a.gb&&(a.gb=!1,$D(a.Z),a.c=c);a.y=1;break;case 109:a.c=c;d=aE(a.Z);if(2==d){a.kb=!0;a.J="Copying the agent not possible !";break}d=y(bD,m,-1,4,1);cD(a.Z,d);a.mb=!0;a.Z=new PC(a.Z);d=K(~~((a.C.b-a.Y)/2)-d[0]);for(c=1;c<=a.Z.t;++c)a.Z.J[c]+=2*d;bE(a.Z);a.fb[++a.ub]=a.Z;a.e=a.ub;break;case 104:0<a.Z.D?(a.mb=!0,cE(a.Z,a.Z.D),a.Z.D=0,ZC(a)):0<a.Z.E&&(a.mb=!0,dE(a.Z,a.Z.E),a.Z.E=0,ZC(a));eE(a.Z);break;case 213:a.c=
c;if(!a.E){var e,f,g,j;j=new cB;for(d=a.G,e=0,f=d.length;e<f;++e)c=d[e],g=new VA(c),aB(j,g),g.c=c,mz(g.d,a);ky(a,j);a.E=j}bB(a.E,a,a.F.a,a.F.b)}else{a.lb=!0;a.nb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&(VD(a.o),a.o=null);0==a.Z.D&&(a.o=new WD(2,a));a.d=18;break;case 1301:a.d=19;break;case 1302:a.d=
20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Z.D&&(a.mb=!0,a.d!=a.Z.b[a.Z.D]&&18!=a.d&&(a.Z.b[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,ZC(a)),18==a.d&&(d=jo((Lq(),Mq).gc.a.gb,bh),fE(a.Z,a.Z.D,d),ZC(a)),eE(a.Z))}YC(a);return!0}
function Hq(a){var b,c,d;d=TC(a);c=l;if(a.Fb){var e,f,g;g=is([4,a.ub+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.ub;++b)aE(a.fb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(gE(g[1][0],3)+gE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ja+hE(a.fb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ja+hE(a.fb[g[3][b]],d)}else 1<a.ub&&(a.Z=new iE(a,a.fb,a.ub)),c=hE(a.Z,d),1<a.ub&&(a.Z=a.fb[a.e]);return c}
function jE(a,b,c,d){var e;e=c;var f=d,g,j;(g=kE(b),j=0!=(b.e&2),g||j)?(a.Fb?bB((!a.w&&(a.w=hD(a,!0)),a.w),a,e,f):bB((!a.v&&(a.v=hD(a,!1)),a.v),a,e,f),e=!0):e=!1;if(e)return!0;if(a.z)return!1;e=!0;a.kb=!1;a.Sb=c-a.Y;a.Tb=d-(2*a.Y+a.S);a.kb=!0;a.J=l;a.gb=lE(b);a.hb=!1;if(c<a.Y||d<2*a.Y+a.S){b=0;for(e=1;14>=e;++e)if(c<e*(a.Y+a.S)){b=e;break}c=0;for(e=1;e<=xD+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.Mb=!0,a.kb=!0,a.J="Next ring will be added as spiro",YC(a),
!0;if(113==d)if(a.Ib)a.kb=!0,a.J="Move one atom",YC(a);else return!0;if(!a.Rb&&1201==d||!a.Cb&&107==d||!a.Ob&&201==d||!a.jb&&103==d||!a.tb&&!a.q&&105==d||!a.Fb&&109==d||214==d)return!1;e=Oq(a,d)}else{if(d>a.C.a-a.Y-1)return!1;a.hb=!0;c-=a.Y;d-=2*a.Y+a.S;if(0<a.Z.D)if(104==a.c)cE(a.Z,a.Z.D),a.Z.D=0,ZC(a);else{if(106==a.c)return!0;if(108==a.c)mE(a.Z,a.Z.D,0),ZC(a);else if(157==a.c)mE(a.Z,a.Z.D,1),ZC(a);else if(158==a.c)mE(a.Z,a.Z.D,-1),ZC(a);else if(202==a.c||203==a.c||204==a.c||201==a.c||205==a.c)a.O=
1,Z(a.Z,0),a.Z.F=a.Z.D,205==a.c?(a.Z.v=1,a.Z.i[1]=a.Z.t,a.Z.i[0]=a.Z.D,a.Z.E=0):ZC(a);else if(206<=a.c&&229>=a.c)a.O=2,nE(a.Z),ZC(a);else if(230==a.c)a.O=3,ZC(a);else if(233<=a.c&&262>a.c)oE(a.Z,!1),ZC(a),a.O=3;else if(107==a.c){if(a.Db.b)return!0;fE(a.Z,a.Z.D,jo(a.Db.e.gc.a.gb,bh));a.Z.k=!0;ZC(a)}else if(105==a.c)pE(a.Z),ZC(a);else if(113!=a.c)if(300<a.c){if(a.d!=a.Z.b[a.Z.D]||18==a.d)a.Z.b[a.Z.D]=a.d,a.Z.A[a.Z.D]=0,a.Z.x[a.Z.D]=0,18==a.d&&(d=jo((Lq(),Mq).gc.a.gb,bh),1>d.length&&(d=Qc),fE(a.Z,a.Z.D,
d)),ZC(a)}else e=!1}else if(0<a.Z.D&&206<=a.c&&229>=a.c)a.O=2,nE(a.Z),ZC(a);else if(0<a.Z.E)if(104==a.c)dE(a.Z,a.Z.E),a.Z.E=0,ZC(a);else if(106==a.c){d=a.Z;c=a.Z.E;if(0<d.a[d.H[c]]&&0<d.a[d.I[c]])Kq(d.n,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.t;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;cE(d,c);d.a[c]=0}a.Z.E=0;ZC(a)}else if(201==a.c)qE(a.Z,a.Z.E),ZC(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),ZC(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,ZC(a);else if(204==a.c)a.Z.s[a.Z.E]=3,a.Z.B[a.Z.E]=0,ZC(a);else if(206<=a.c&&229>=a.c)a.O=2,nE(a.Z),ZC(a);else if(107==a.c){if(!a.Db.b)return!0;d=jo(a.Db.e.gc.a.gb,bh);a.Z.s[a.Z.E]=9;a.Z.e[a.Z.E]=d;ZC(a)}else 105==a.c?(a.kb=!0,a.J="Only atoms may be marked !"):e=!1;else if(0==a.ub||a.pb){if(201>=a.c)return!1;++a.ub;a.e=a.ub;a.fb[a.ub]=new gD(a);a.Z=a.fb[a.ub];a.pb=!1;202<=a.c&&204>=a.c||205==a.c?(rE(a.Z),a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=
1,a.Z.F=1,a.O=1,Z(a.Z,0),205==a.c&&(a.Z.J[2]=c+21.65,a.Z.M[2]=d-12.5,a.Z.i[0]=1,a.Z.i[1]=2,a.Z.v=1)):206<=a.c&&229>=a.c?(a.Z.L=c,a.Z.O=d,a.O=2,nE(a.Z)):300<a.c?(rE(a.Z),a.Z.b[1]=a.d,a.Z.u=0,a.Z.z[1]=0,a.Z.J[1]=c,a.Z.M[1]=d,a.Z.D=1,18==a.d&&(d=jo((Lq(),Mq).gc.a.gb,bh),1>d.length&&(d=Qc),fE(a.Z,1,d))):230==a.c?sE(a,null,!0):233<=a.c&&262>a.c?(rE(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,oE(a.Z,!0)):MB();ZC(a)}else e=!1;e&&(eE(a.Z),a.lb=!1,a.nb=!1,a.mb=!0,YC(a))}return e}
function tE(a,b,c,d){var e,f;if(a.z||!a.hb||kE(b))return!0;a.kb=!1;c-=a.Y;d-=2*a.Y;e=c-a.Sb;f=d-a.Tb;if(2==a.O||3==a.O||9==a.O)return!0;if(1==a.O){a:{b=a.Z;e=c;f=d;var g,j,h,n,o,r,q;b.D=0;b.J[0]=e;b.M[0]=f;g=uE(b,0);if(0<g&&205!=b.n.c)b.D=g,g!=b.F?(b.J[b.t]=b.J[g],b.M[b.t]=b.M[g]):(b.J[b.t]=b.L,b.M[b.t]=b.O);else if(205==b.n.c){b.E=0;g=b.i[b.v];n=b.i[b.v-1];j=b.J[g]-b.J[n];h=b.M[g]-b.M[n];g=Math.sqrt(j*j+h*h);1>g&&(g=1);h/=g;j/=g;o=g/2/Math.tan(0.5235987755982988);r=e-b.J[n];q=f-b.M[n];n=-g/2+r*j+
q*h;h=q*j-r*h;if(0>n)if(1<b.v)cE(b,b.t),--b.v,b.C=!1;else if(2==b.t)0>b.M[2]-b.M[1]&&0<f-b.M[1]?b.M[2]=b.M[1]+g/2:0<b.M[2]-b.M[1]&&0>f-b.M[1]&&(b.M[2]=b.M[1]-g/2),0>b.J[2]-b.J[1]&&0<e-b.J[1]?b.J[2]=b.J[1]+0.866*g:0<b.J[2]-b.J[1]&&0>e-b.J[1]&&(b.J[2]=b.J[1]-0.866*g);else{if(2==b.z[b.i[0]]&&(o=b.G[b.i[0]][1],o==b.i[1]&&(o=b.G[b.i[0]][2]),j=b.J[b.i[0]]-b.J[o],h=b.M[b.i[0]]-b.M[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,r=e-b.J[o],q=f-b.M[o],e=q*j-r*h,r=b.J[b.i[1]]-b.J[o],q=b.M[b.i[1]]-b.M[o],f=q*j-
r*h,0<e&&0>f||0>e&&0<f))e=b.u,b.D=b.i[0],Z(b,0),dE(b,e),0<uE(b,b.t)&&(b.C=!0)}else{if(b.C)break a;e=-1;n<1.5*g&&(e=(1.5*g-n)*o/(1.5*g));if((0>=h?0-h:h)>e){++b.v;if(100<b.v){Kq(b.n,"You are too focused on chains, enough of it for now !");--b.v;break a}b.D=b.t;Z(b,N(M(Math.round(h))));b.i[b.v]=b.t;0<uE(b,b.t)&&(b.C=!0)}}b.D=0;e=b.v;Kq(b.n,e+l)}else j=e-b.J[b.F],h=f-b.M[b.F],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.J[b.t]=b.J[b.F]+25*(j/g),b.M[b.t]=b.M[b.F]+25*(h/g)}a.r=!0}else if(113==a.c&&0<a.Z.D)a.ib||(a.ib=
!0),b=a.Z,0<b.D&&(e=b.D,b.J[e]=c,b.M[e]=d);else if(lE(b)||kE(b))WC(a.Z,e),a.O=5;else if(0==a.Z.D&&0==a.Z.E){5!=a.O&&(e=f=0);b=a.Z;for(g=1;g<=b.t;++g)b.J[g]+=e,b.M[g]+=f;h=y(bD,m,-1,4,1);cD(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.n.C.b-b.n.Y&&0<h&&h<b.n.C.a-3*b.n.Y))for(g=1;g<=b.t;++g)b.J[g]-=e,b.M[g]-=f;a.O=5}a.D=!1;XC(a);a.mb=!0;YC(a);a.Sb=c;a.Tb=d;return!0}
function vE(a,b,c,d){var e,f,g;if(!(a.z&&null==a.rb||kE(b))){c-=a.Y;d-=2*a.Y;g=!1;f=0;b=1;a:for(;b<=a.ub;++b){e=a.fb[b];for(var j=c,h=d,n=void 0,o=void 0,r=void 0,q=void 0,u=void 0,n=void 0,r=0,u=((AC(),IC)?350:170)+1,q=1;q<=e.u;++q)n=j-e.K[q],o=h-e.N[q],n=n*n+o*o,n<u&&(u=n,r=q);r*=-1;for(q=1;q<=e.t;++q)n=j-e.J[q],o=h-e.M[q],n=n*n+o*o,n<u&&(u=n,r=q);e=r;if(0!=e){a.fb[b].D=0<e?e:0;a.fb[b].E=0>e?-e:0;f=b;g=!0;wE(a,a.fb[b].D);113==a.c&&0>e&&(g=!1,a.fb[b].E=0);break a}else if(wE(a,0),0<a.fb[b].D||0<a.fb[b].E)a.fb[b].D=
0,a.fb[b].E=0,g=!0}if(g){for(b=a.e+1;b<=a.ub;++b)a.fb[b].D=0,a.fb[b].E=0;a.D=!1;XC(a);a.mb=!0;YC(a)}!a.z&&0!=f&&f!=a.e&&(a.e=f,a.Z=a.fb[a.e])}}
function xE(a){if(a.z)return!0;a.ib&&(a.ib=!1,ZC(a));a.kb=!1;a.P=nh;if(1==a.O){if(205==a.c){var b=a.Z,c,d;b.C&&(c=uE(b,b.t),6>b.z[c]&&(yE(b),d=b.i[b.v-1],b.H[b.u]=c,b.I[b.u]=d,b.G[c][++b.z[c]]=d,b.G[d][++b.z[d]]=c),cE(b,b.t));b.C=!1;ZC(a)}else a:{var b=a.Z,e,f;c=uE(b,b.t);if(0!=c){--b.t;for(f=1;f<b.u;++f)if(d=b.H[f],e=b.I[f],d==c&&e==b.F||d==b.F&&e==c){--b.u;--b.z[b.F];3>b.s[f]?(++b.s[f],b.B[f]=0):Kq(b.n,"Maximum allowed bond order is 3 !");break a}6==b.z[c]?(--b.u,--b.z[b.F],Kq(b.n,"Not possible connection !")):
(b.I[b.u]=c,b.G[c][++b.z[c]]=b.F,b.G[b.F][b.z[b.F]]=c,b.K[b.u]=N(M(zD((b.J[b.F]+b.J[c])/2))),b.N[b.u]=N(M(zD((b.M[b.F]+b.M[c])/2))))}}eD(a.Z);a.r&&(b=a.$,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,SD(b),b.a.c=c),ZC(a),a.r=!1)}else 5==a.O&&(eD(a.Z),ZC(a));0<a.O&&(a.D=!1,XC(a),a.mb=!0,eE(a.Z),zE(a.Z),YC(a),a.O=0,a.f=!1);if(IC&&(0!=a.Z.E||0!=a.Z.D))a.Z.E=0,a.Z.D=0,XC(a),a.mb=!0,YC(a);return!0}function XC(a){a.lb=!1;a.nb=!1;a.mb=!1}
function wE(a,b){if(null!=a.rb&&!(0>=b&&0==a.Bb||b==a.Bb&&a.e==a.Ab))0>=b&&0<a.Bb&&(b=0),a.Bb=b,a.Ab=a.e,wC(a.rb,H(AE,m,81,[new S(a.e),new S(b)]))}
function BE(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Eb=!1:-1<b.indexOf("rbutton")&&(a.Eb=!0);-1<b.indexOf("nohydrogens")?a.Kb=!1:-1<b.indexOf("hydrogens")&&(a.Kb=!0);-1<b.indexOf("keephs")&&(a.N=!0);-1<b.indexOf("removehs")&&(a.N=!1);-1<b.indexOf("noquery")?a.Cb=!1:-1<b.indexOf("query")&&(a.Cb=!0);-1<b.indexOf(Cf)?a.Fb=!1:-1<b.indexOf(ig)&&(a.Fb=!0);-1<b.indexOf("noautoez")?a.p=!1:-1<b.indexOf("autoez")&&(a.p=!0);-1<b.indexOf("nostereo")?a.Ob=!1:-1<b.indexOf("stereo")&&(a.Ob=!0);
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a.t,Z(a,0),a.b[a.t]=5,a.D=a.t,Z(a,0),a.D=a.t-2,Z(a,0),a.b[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.b[a.t]=4,a.D=a.t-1,Z(a,0),a.b[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)Z(a,0),a.b[a.t]=4,a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.b[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)Z(a,0),a.b[a.t]=5,a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.D=a.t-1,Z(a,0),a.s[a.u]=2,a.b[a.t]=5,c=4;else if(243==a.n.c)Z(a,0),a.b[a.t]=4,a.D=a.t,Z(a,0),a.D=a.t-1,Z(a,0),c=3;else if(238==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.s[a.u]=
3,a.p=!1,c=2;else if(249==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.s[a.u]=2,a.b[a.t]=5,c=2;else if(250==a.n.c)Z(a,0),a.s[a.u]=2,a.b[a.t]=5,c=1;else if(245==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.D=a.t,a.s[a.u]=3,Z(a,0),a.p=!1,c=3;else if(242==a.n.c)Z(a,0),a.D=a.t,a.p=!0,Z(a,0),a.s[a.u]=3,a.b[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)Z(a,0),a.b[a.t]=9,c=1;else if(255==a.n.c)Z(a,0),a.b[a.t]=10,c=1;else if(256==a.n.c)Z(a,0),a.b[a.t]=11,c=1;else if(257==a.n.c)Z(a,0),a.b[a.t]=12,c=1;else if(258==a.n.c)Z(a,0),a.b[a.t]=4,
c=1;else if(259==a.n.c)Z(a,0),a.b[a.t]=5,c=1;else if(246==a.n.c)Z(a,0),a.D=a.t,Z(a,0),c=2;else if(247==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),c=3;else if(248==a.n.c)Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),a.D=a.t,Z(a,0),c=4;else if(253==a.n.c){var d,e,f,g,j,h,n,o,r,q,u;if(a.n.Pb){c=0;o=a.n.Pb;for(n=1;n<=o.y;++n)d=o.q[n][0],1==o.q[n][1]&&(c=d);d=a.t;n=a.D;Z(a,0);e=a.J[a.t];g=a.M[a.t];cE(a,a.t);e=a.J[n]-e;g=a.M[n]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=o.t;++h)rE(a),a.b[a.t]=o.b[h],a.A[a.t]=o.A[h],
a.x[a.t]=o.x[h],a.J[a.t]=o.J[h],a.M[a.t]=o.M[h];for(h=1;h<=o.u;++h)yE(a),a.H[a.u]=o.H[h]+d,a.I[a.u]=o.I[h]+d,a.s[a.u]=o.s[h];bE(a);a.D=c+d;Z(a,0);o=a.J[a.t];q=a.M[a.t];cE(a,a.t);f=a.J[c+d]-o;j=a.M[c+d]-q;h=Math.sqrt(f*f+j*j);j/=h;f/=h;for(h=d+1;h<=a.t;++h)a.J[h]-=o,a.M[h]-=q,r=a.J[h]*f+a.M[h]*j,u=a.M[h]*f-a.J[h]*j,a.J[h]=r,a.M[h]=u,r=-a.J[h]*e+a.M[h]*g,u=-a.M[h]*e-a.J[h]*g,a.J[h]=r,a.M[h]=u,a.J[h]+=a.J[n],a.M[h]+=a.M[n];yE(a);a.H[a.u]=n;a.I[a.u]=c+d;bE(a);b&&(cE(a,n),dD(a))}c=4}OG(a,c);a.D=a.F;b&&
(a.D=0)}
function NG(a,b,c,d){var e,f,g,j,h;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];j=-(a.M[f]-a.M[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*j?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*j):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*j)?(g=a.J[b]-a.J[e],j=a.M[b]-a.M[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.J[e]+h*g-c*j,d[1]=a.M[e]+c*g+h*j):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,j=a.M[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.J[b]+
c*g/h,d[1]=a.M[b]+c*j/h)}
function nE(a){var b,c,d,e,f,g,j,h,n,o,r,q,u;n=-1;j=6;switch(a.n.c){case 206:j=3;break;case 207:j=4;break;case 208:case 221:case 223:j=5;break;case 210:case 209:j=6;break;case 211:j=7;break;case 212:j=8;break;case 229:j=9}f=6.283185307179586/j;h=625*a.n.B*a.n.B/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.D)if(2>a.z[a.D])PG(a,j,f,h);else if(!a.n.gb&&!a.n.Mb)n=a.D,Z(a,0),a.D=a.t,PG(a,j,f,h);else{a.n.Mb=!1;if(209==a.n.c||221==a.n.c||223==a.n.c){Kq(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[MG(a,a.D,a.G[a.D][d])],2<d||1!=b){Kq(a.n,"ERROR - spiro ring not possible here !");a.n.O=9;return}b=y(bD,m,-1,2,1);NG(a,a.D,h,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;for(d=1;d<=j;++d)rE(a),r=f*d+1.5707963267948966,a.J[a.t]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.M[a.t]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*g)}else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!=
b?d=a.G[c][1]:d=a.G[c][2],o=b,b=c,c=o);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;r=o/2;u=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(u=-u,o=0);q=a.J[b]+r*e-u*g;u=a.M[b]+u*e+r*g;for(d=1;d<=j;++d)rE(a),r=f*(d+0.5)+3.141592653589793*o,a.J[a.t]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.M[a.t]=u+h*(Math.cos(r)*e+Math.sin(r)*g),1==o?(d==j&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==j-1&&(a.J[a.t]=
a.J[c],a.M[a.t]=a.M[c])):(d==j-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==j&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)rE(a),r=f*(d-b),a.J[a.t]=a.L+h*Math.sin(r),a.M[a.t]=a.O+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)yE(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[MG(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[MG(a,a.I[a.E],h)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.b[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.b[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.b[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.b[a.t-2]=5);h=y(I,s,-1,a.t+1,1);for(f=1;f<=j;++f)b=a.t-j+f,c=a.u-j+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=N(M(zD((a.J[b]+a.J[e])/2))),a.N[c]=N(M(zD((a.M[b]+a.M[e])/
2)));a.G[a.t-j+1][1]=a.t;a.G[a.t][2]=a.t-j+1;for(f=a.t-j+1;f<=a.t;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.t-j;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(h[f]=c)}g=a.u-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.H[f],e=a.I[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.H[c]==h[b]&&a.I[c]==h[e]||a.I[c]==h[b]&&a.H[c]==h[e])continue a;yE(a);a.s[a.u]=a.s[f];a.H[a.u]=h[b];a.G[h[b]][++a.z[h[b]]]=h[e];a.I[a.u]=h[e];a.G[h[e]][++a.z[h[e]]]=h[b];a.K[a.u]=N(M(zD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/
2)));a.N[a.u]=N(M(zD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<h[b]?(yE(a),a.s[a.u]=a.s[f],a.H[a.u]=h[b],a.G[h[b]][++a.z[h[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=h[b],a.K[a.u]=N(M(zD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=N(M(zD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<h[e]&&(yE(a),a.s[a.u]=a.s[f],a.H[a.u]=h[e],a.G[h[e]][++a.z[h[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=h[e],a.K[a.u]=N(M(zD((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=N(M(zD((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-j;for(f=a.t;f>d;--f)if(0<
h[f]&&(cE(a,f),3==a.b[h[f]])){o=0;for(b=1;b<=a.z[h[f]];++b){e=a.G[h[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==h[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==h[f])&&(o+=a.s[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.s[c]=1}0<a.D&&OG(a,j);-1<n&&(a.D=n)}
function PG(a,b,c,d){var e,f,g,j,h,n;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.J[a.D]+d*f;n=a.M[a.D]+d*e;for(g=1;g<=b;++g)rE(a),j=c*g-1.5707963267948966,a.J[a.t]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.M[a.t]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function OG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=uE(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)}
function MG(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 QG(a,b,c){var d,e,f,g;e=nh;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(lt(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)lt(c[d])&&!$s(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)ft(c[d],e)&&(b[d]=g,c[d]=nh,++f);if(f==a.t)break}return g==a.t}
function dD(a){var b,c,d;b=y(bD,m,-1,4,1);d=c=0;a.n&&a.n.C&&0<a.n.C.b&&(c=a.n.C.b-a.n.Y,d=a.n.C.a-3*a.n.Y);if(0>=c||0>=d)a.w=!0;else{cD(a,b);c=~~(c/2)-N(M(Math.round(b[0])));d=~~(d/2)-N(M(Math.round(b[1])));if(!a.n.qb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;eD(a)}}
function cD(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 mE(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=RG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.b[b]){case 2:2<d&&Kq(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?Kq(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?Kq(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?Kq(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:Kq(a.n,"Charge change not possible on the halogen !");break;case 18:Kq(a.n,
"Use X button to change charge on the X atom !")}}
function PD(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=y(I,s,-1,a.t+1,1);;){for(e=1;e<=a.t;++e)if(0==a.a[e]){a.a[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],0<a.a[c]&&0==a.a[d]?(a.a[d]=f,g=!0):0<a.a[d]&&0==a.a[c]&&(a.a[c]=f,g=!0)}}if(2>f||!b)return f;g=y(I,s,-1,f+1,1);for(c=1;c<=a.t;++c)++g[a.a[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.t;1<=c;--c)a.a[c]!=d&&cE(a,c);dD(a);Kq(a.n,"Smaller part(s) removed !");return 1}
function uE(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 zE(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.n.yb)continue;if(1==a.b[b]||1==a.b[c])continue;if(2==a.b[b]||2==a.b[c])continue;if(9==a.b[b]||10==a.b[b]||11==a.b[b]||12==a.b[b]||9==a.b[c]||10==a.b[c]||11==a.b[c]||12==a.b[c])continue;a.A[b]=0;a.A[c]=0;++a.s[d];eE(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),eE(a));4==a.s[d]&&(a.s[d]=1)}}
function LG(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 bE(a){var b;SG(a);b=a.s.length;a.K=y(I,s,-1,b,1);a.N=y(I,s,-1,b,1);eD(a);eE(a)}
function rE(a){var b,c;++a.t;a.t>a.b.length-1&&(c=a.b.length+10,b=y(I,s,-1,c,1),eG(a.b,b,a.b.length),a.b=b,b=y(I,s,-1,c,1),eG(a.A,b,a.A.length),a.A=b,b=y(I,s,-1,c,1),eG(a.x,b,a.x.length),a.x=b,b=y(I,s,-1,c,1),eG(a.d,b,a.d.length),a.d=b,b=y(Gs,m,1,c,0),eG(a.c,b,a.c.length),a.c=b,b=y(Gs,m,1,c,0),eG(a.o,b,a.o.length),a.o=b,b=y(bD,m,-1,c,1),eG(a.J,b,a.J.length),a.J=b,b=y(bD,m,-1,c,1),eG(a.M,b,a.M.length),a.M=b,b=is([c,7]),eG(a.G,b,a.G.length),a.G=b,c=y(I,s,-1,c,1),eG(a.z,c,a.z.length),a.z=c);a.b[a.t]=
3;a.A[a.t]=0;a.d[a.t]=0;a.c[a.t]=null;a.x[a.t]=0}function FD(a,b,c,d,e,f,g){var j;j=N(M(zD(a.J[c]-d/2)));g||(j-=e-d);a=N(M(zD(a.M[c]-~~(f/2))));return new Uy(j-1-b,a-b,e+1+2*b,f+2*b)}
function yE(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=y(I,s,-1,b,1),eG(a.H,c,a.H.length),a.H=c,c=y(I,s,-1,b,1),eG(a.I,c,a.I.length),a.I=c,c=y(I,s,-1,b,1),eG(a.s,c,a.s.length),a.s=c,c=y(I,s,-1,b,1),eG(a.B,c,a.B.length),a.B=c,c=y(I,s,-1,b,1),eG(a.K,c,a.K.length),a.K=c,c=y(I,s,-1,b,1),eG(a.N,c,a.N.length),a.N=c,b=y(Gs,m,1,b,0),eG(a.e,b,a.e.length),a.e=b);a.s[a.u]=1;a.B[a.u]=0;a.e[a.u]=null}
function hE(a,b){var c,d,e,f,g,j,h;if(0==a.t)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(AC(),aa);j+="JME 2013-10-12 "+new sG+"\n \n";j+=gE(a.t,3)+gE(a.u,3);j+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){j+=EE(0.055999999999999994*(a.J[e]-c),10,4)+EE(0.055999999999999994*(g-a.M[e]),10,4)+EE(0,10,4);h=ED(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
j+=ba+h;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);h=" 0"+gE(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+=gE(f,3):h+=" 0";j+=h+" 0 0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:TG(a,e)&&(g=2),c=gE(a.H[e],3)+gE(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=gE(a.I[e],3)+gE(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=gE(a.I[e],3)+gE(a.H[e],3)),j+=c+gE(g,3)+gE(d,3)+" 0 0 0\n";
for(e=1;e<=a.t;++e)0!=a.A[e]&&(j+="M CHG 1"+gE(e,4)+gE(a.A[e],4)+aa);return j+"M END\n"}
function GE(a){var b,c,d,e,f,g,j,h,n,o,r,q,u,v,D,G,J,Q,tb,V,L,da,Dc,dg,Ab,Md,Nd,Od,nb,Ec;r=y(I,s,-1,a.t+10,1);q=y(I,s,-1,a.t+10,1);n=y(I,s,-1,a.t+1,1);o=y(I,s,-1,7,1);Ab=y(I,s,-1,a.t+1,1);v=y(UG,m,-1,a.t+1,2);D=y(UG,m,-1,a.u+1,2);da=0;if(0==a.t)return l;PD(a,!0);dg=!0;for(h=1;h<=a.u;++h)if(9==a.s[h]){dg=!1;break}if(a.n.s&&dg){VG(a);zE(a);WG(a,D);XG(a,v,D);var Gb,sd,ff,ac,we,td,ud,fb,UH,Sd,w,ya,Em,Fm,ss,nf,Pa,Gm,Hm,Hc,Im;Gb=y(I,s,-1,a.t+1,1);sd=y(I,s,-1,a.t+1,1);fb=y(YG,m,-1,a.t+1,3);var ts=a.t,Jm,
ph,us,pg,Dj,Ee,of;Dj=y(YG,m,-1,ts+2,3);Ee=y(I,s,-1,100,1);of=5;pg=0;Ee[0]=3;Dj[1]=wh;Dj[2]=xh;us=2;if(!(3>ts))for(;of<Ee[pg]*Ee[pg];){ph=0;for(Jm=!0;Jm&&ph<=pg&&of>=Ee[ph]*Ee[ph];)0==of%Ee[ph]?Jm=!1:++ph;if(Jm){Dj[++us]=it(of);if(us>=ts)break;pg<Ee.length-1&&(++pg,Ee[pg]=of)}of+=2}for(w=1;w<=a.t;++w){for(ya=Hm=1;ya<=a.u;++ya)(a.H[ya]==w||a.I[ya]==w)&&(Hm*=a.f[ya]);Gm=a.b[w];18==Gm&&(Im=a.o[w],td=Im.charCodeAt(0)-65+1,ud=0,1<Im.length&&(ud=Im.charCodeAt(1)-97),0>td&&(td=0),0>ud&&(ud=0),Gm=28*td+ud);
nf=0;-2>a.A[w]?nf=1:-2==a.A[w]?nf=2:-1==a.A[w]?nf=3:1==a.A[w]?nf=4:2==a.A[w]?nf=5:2<a.A[w]&&(nf=6);Hc=1;fb[w]=it(Hm);Hc*=126;fb[w]=dt(fb[w],it(a.x[w]*Hc));Hc*=7;fb[w]=dt(fb[w],it(nf*Hc));Hc*=7;fb[w]=dt(fb[w],it(Gm*Hc));Hc*=783;fb[w]=dt(fb[w],it(a.z[w]*Hc))}for(we=0;!QG(a,Gb,fb);){ss=!1;for(w=1;w<=a.t;++w)Gb[w]!=sd[w]&&(sd[w]=Gb[w],ss=!0);if(ss){for(w=1;w<=a.t;++w){fb[w]=oh;for(ya=1;ya<=a.z[w];++ya)fb[w]=mt(fb[w],Dj[Gb[a.G[w][ya]]])}we=0}else if(0<we){for(w=1;w<=a.t;++w)fb[w]=oh;w=1;a:for(;w<=a.t-
1;++w)for(ya=w+1;ya<=a.t;++ya)if(Gb[w]==Gb[ya]){fb[w]=wh;break a}}else{for(w=1;w<=a.t;++w){fb[w]=oh;for(ya=1;ya<=a.z[w];++ya)ff=a.G[w][ya],fb[w]=mt(fb[w],it(a.b[ff]*a.f[MG(a,w,ff)]))}we=1}QG(a,Gb,fb);for(w=1;w<=a.t;++w)fb[w]=it(sd[w]*a.t+Gb[w])}for(w=1;w<=a.t;++w)sd[w]=Gb[w];for(Pa=1;Pa<=a.t;++Pa)for(w=1;w<=a.t;++w)if(sd[w]==Pa){a.b[0]=a.b[w];a.A[0]=a.A[w];a.J[0]=a.J[w];a.M[0]=a.M[w];a.z[0]=a.z[w];a.b[w]=a.b[Pa];a.A[w]=a.A[Pa];a.J[w]=a.J[Pa];a.M[w]=a.M[Pa];a.z[w]=a.z[Pa];a.b[Pa]=a.b[0];a.A[Pa]=a.A[0];
a.J[Pa]=a.J[0];a.M[Pa]=a.M[0];a.z[Pa]=a.z[0];sd[w]=sd[Pa];sd[Pa]=Pa;a.o[0]=a.o[w];a.o[w]=a.o[Pa];a.o[Pa]=a.o[0];a.d[0]=a.d[w];a.d[w]=a.d[Pa];a.d[Pa]=a.d[0];a.c[0]=a.c[w];a.c[w]=a.c[Pa];a.c[Pa]=a.c[0];a.x[0]=a.x[w];a.x[w]=a.x[Pa];a.x[Pa]=a.x[0];break}for(w=1;w<=a.y;++w)a.q[w][0]=Gb[a.q[w][0]];for(w=1;w<=a.u;++w)a.H[w]=Gb[a.H[w]],a.I[w]=Gb[a.I[w]],a.H[w]>a.I[w]&&(Sd=a.H[w],a.H[w]=a.I[w],a.I[w]=Sd,1==a.B[w]?a.B[w]=3:2==a.B[w]?a.B[w]=4:3==a.B[w]?a.B[w]=1:4==a.B[w]&&(a.B[w]=2));for(w=1;w<a.u;++w){Fm=Em=
a.t;ac=0;for(ya=w;ya<=a.u;++ya)a.H[ya]<Em?(Em=a.H[ya],Fm=a.I[ya],ac=ya):a.H[ya]==Em&&a.I[ya]<Fm&&(Fm=a.I[ya],ac=ya);Sd=a.H[w];a.H[w]=a.H[ac];a.H[ac]=Sd;Sd=a.I[w];a.I[w]=a.I[ac];a.I[ac]=Sd;Sd=a.s[w];a.s[w]=a.s[ac];a.s[ac]=Sd;Sd=a.B[w];a.B[w]=a.B[ac];a.B[ac]=Sd;UH=a.e[w];a.e[w]=a.e[ac];a.e[ac]=UH}bE(a);eE(a);WG(a,D);XG(a,v,D)}else{WG(a,D);a.f=y(I,s,-1,a.u+1,1);for(u=1;u<=a.u;++u)a.f[u]=a.s[u]}c=1;a.a=y(I,s,-1,a.t+1,1);Ec=1;a.a[1]=1;for(V=0;;){L=0;for(u=1;u<=a.z[c];++u)if(g=a.G[c][u],0<a.a[g]){if(!(a.a[g]>
a.a[c])&&g!=Ab[c]){Dc=!0;for(J=1;J<=da;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Dc=!1;break}Dc&&(++da,r[da]=c,q[da]=g)}}else o[++L]=g;if(0==L){if(Ec==a.t)break;c=n[V--]}else if(1==L)Ab[o[1]]=c,c=o[1],a.a[c]=++Ec;else{n[++V]=c;e=0;for(u=1;u<=L;++u)if(h=MG(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=L;++u)if(h=MG(a,o[u],c),2==a.f[h]||3==a.f[h]){e=o[u];break}0==e&&(e=o[1]);Ab[e]=c;c=e;a.a[e]=++Ec}}Ab=y(I,s,-1,a.t+1,1);b=y(I,s,-1,a.t+1,1);Q=y(UG,m,-1,a.t+1,2);Md=y(UG,m,-1,a.t+1,2);f=Ec=V=0;for(u=
1;u<=a.t;++u)if(1==a.a[u]){c=u;break}a:for(;;){0<f&&(Ab[c]=f);b[++Ec]=c;for(a.a[c]=0;;){L=e=0;tb=a.t+1;u=1;b:for(;u<=a.z[c];++u){g=a.G[c][u];for(G=1;G<=da;++G)if(r[G]==g&&q[G]==c||r[G]==c&&q[G]==g)continue b;0<a.a[g]&&(++L,a.a[g]<tb&&(e=g,tb=a.a[g]))}if(0==e){if(0==V)break a;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.u+1,1);Od=y(I,s,-1,a.t+1,1);if(a.n.Ob){var WH=Ab,ZL=da,vs,XH,qh,Fe,ws,xs,Ma,Ej,ys;qh=y(I,s,-1,a.t+1,1);for(Ma=1;Ma<=a.t;++Ma)qh[b[Ma]]=Ma;ws=y(UG,m,-1,
a.u+1,2);for(Ma=1;Ma<=a.t;++Ma)vs=b[Ma],XH=WH[vs],Fe=MG(a,vs,XH),0!=Fe&&(ZG(a,Fe,qh,Nd,D),ws[Fe]=!0);for(Ma=1;Ma<=a.u;++Ma)ws[Ma]||ZG(a,Ma,qh,Nd,D);Ma=1;a:for(;Ma<=a.t;++Ma)if(!(2>a.z[Ma]||4<a.z[Ma])){xs=ys=0;for(Ej=1;Ej<=a.z[Ma];++Ej){Fe=MG(a,Ma,a.G[Ma][Ej]);if(5==a.f[Fe])continue a;1==a.s[Fe]&&0!=$G(a,Fe,Ma)&&++ys;2==a.s[Fe]&&(xs=a.G[Ma][Ej])}if(0!=ys)if(0<xs){var ia=a,ZH=Ma,pf=qh,Wc=Od,kc=void 0,Fj=void 0,Ic=void 0,Ge=void 0,Jc=void 0,Km=void 0,Lm=void 0,Mm=void 0,Td=void 0,Xc=void 0,Yc=void 0,
zs=void 0,Gj=void 0,Ud=void 0,Hj=void 0,He=void 0,Ij=void 0,As=void 0,Jj=void 0,Ie=void 0,$H=void 0,qf=void 0,aI=void 0,Bs=void 0,Kj=void 0,rf=void 0,Yc=1,Fj=ZH,kc=y(I,s,-1,ia.t+1,1);for(kc[1]=ZH;;){zs=!1;for(Xc=1;Xc<=ia.z[Fj];++Xc)if(Ic=ia.G[Fj][Xc],!(Ic==kc[1]||Ic==kc[Yc-1]))if(Ge=MG(ia,Fj,Ic),2==ia.s[Ge]&&5!=ia.f[Ge]){Fj=kc[++Yc]=Ic;zs=!0;break}if(!zs)break}if(!(0==Yc%2||2>ia.z[kc[Yc]]||3<ia.z[kc[Yc]])){rf=kc[1];Jc=kc[~~((Yc+1)/2)];Td=kc[Yc];qf=Ie=He=Ud=0;Bs=As=!1;for(Xc=1;Xc<=ia.z[rf];++Xc)Ic=
ia.G[rf][Xc],Ge=MG(ia,rf,Ic),1!=ia.s[Ge]||5==ia.f[Ge]||(0==Ud?Ud=Ic:He=Ic);0<pf[He]&&pf[Ud]>pf[He]&&(Km=Ud,Ud=He,He=Km);Gj=Ud;0==Ud&&(Gj=He,As=!0);for(Xc=1;Xc<=ia.z[Td];++Xc)Ic=ia.G[Td][Xc],Ge=MG(ia,Td,Ic),1!=ia.s[Ge]||5==ia.f[Ge]||(0==Ie?Ie=Ic:qf=Ic);0<pf[qf]&&pf[Ie]>pf[qf]&&(Km=Ie,Ie=qf,qf=Km);Jj=Ie;0==Ie&&(Jj=qf,Bs=!0);Hj=$G(ia,MG(ia,rf,Ud),rf);Ij=$G(ia,MG(ia,rf,He),rf);$H=$G(ia,MG(ia,Td,Ie),Td);aI=$G(ia,MG(ia,Td,qf),Td);1<(0>Hj+Ij?-(Hj+Ij):Hj+Ij)||0!=$H||0!=aI?Kq(ia.n,"Bad stereoinfo on allene !"):
(Lm=ia.J[kc[Yc-1]]-ia.J[Td],Mm=ia.M[kc[Yc-1]]-ia.M[Td],Kj=Math.sqrt(Lm*Lm+Mm*Mm),0.001>Kj&&(Kj=0.001),0<(ia.M[Jj]-ia.M[kc[Yc-1]])*(Lm/Kj)-(ia.J[Jj]-ia.J[kc[Yc-1]])*(Mm/Kj)?Wc[Jc]=1:Wc[Jc]=-1,As&&(Wc[Jc]*=-1),Bs&&(Wc[Jc]*=-1),Gj==Ud&&0>Hj&&(Wc[Jc]*=-1),Gj==He&&0>Ij&&(Wc[Jc]*=-1),pf[Gj]>pf[Jj]&&(Wc[Jc]*=-1))}}else b:{var lc=a,mc=Ma,$L=WH,aM=qh,bM=r,cM=q,dM=ZL,Nm=Od,Om=void 0,Zc=void 0,Cs=void 0,rh=void 0,Ba=void 0,sh=void 0,wd=void 0,Lj=void 0,Vd=void 0,Sb=void 0,ga=void 0,Ib=void 0,Je=void 0,Pm=void 0,
$c=void 0,oa=void 0,Qm=void 0,Ib=y(I,s,-1,4,1),Pm=y(I,s,-1,4,1),th=lc,Wd=mc,bI=aM,Ds=$L,cI=bM,dI=cM,eM=dM,Jb=Ib,Mj=void 0,ad=void 0,Rm=void 0,Sm=void 0,Es=void 0,Nj=void 0,Nj=-1;0<Ds[Wd]&&(Jb[++Nj]=Ds[Wd]);for(ad=1;ad<=eM;++ad)cI[ad]==Wd&&(Jb[++Nj]=dI[ad]),dI[ad]==Wd&&(Jb[++Nj]=cI[ad]);for(ad=Nj+1;ad<th.z[Wd];++ad){Es=th.t+1;Rm=1;c:for(;Rm<=th.z[Wd];++Rm){Mj=th.G[Wd][Rm];for(Sm=0;Sm<ad;++Sm)if(Mj==Jb[Sm])continue c;bI[Mj]<Es&&(Es=bI[Mj],Jb[ad]=Mj)}}0==Ds[Wd]&&0<th.x[Wd]?(Jb[3]=Jb[2],Jb[2]=Jb[1],Jb[1]=
Jb[0],Jb[0]=-1):0<th.x[Wd]&&(Jb[3]=Jb[2],Jb[2]=Jb[1],Jb[1]=-1);for(Ba=Lj=sh=rh=Qm=wd=Sb=0;4>Ba;++Ba)0>=Ib[Ba]||(Om=MG(lc,mc,Ib[Ba]),Pm[Ba]=$G(lc,Om,mc),0<Pm[Ba]?(++Sb,Qm=Ib[Ba],sh=Ib[Ba]):0>Pm[Ba]?(++wd,rh=Ib[Ba],sh=Ib[Ba]):Lj=Ib[Ba]);Vd=Sb+wd;oa=y(I,s,-1,4,1);$c=0;if(3==lc.z[mc]){if(1==Sb&&1==wd||3==Vd&&0<Sb&&0<wd){Kq(lc.n,"Error in C3H stereospecification !");break b}Je=Ib[0];1==Vd?Je=sh:2==Vd&&(Je=Lj);ga=KG(lc,mc,Je,Ib);oa[0]=sh;oa[1]=-1;oa[2]=ga[2];oa[3]=ga[1];0<Sb?$c=1:$c=-1}else if(4==lc.z[mc])if(1==
Vd)ga=KG(lc,mc,sh,Ib),oa[0]=ga[0],oa[1]=ga[3],oa[2]=ga[2],oa[3]=ga[1],0<Sb?$c=1:$c=-1;else{Je=Ib[0];1<Lj&&(Je=Lj);1==Sb?Je=Qm:1==wd&&(Je=rh);ga=KG(lc,mc,Je,Ib);Zc=y(I,s,-1,4,1);for(Ba=0;4>Ba;++Ba)Om=MG(lc,mc,ga[Ba]),Zc[Ba]=$G(lc,Om,mc);if(4==Vd){if(0==Sb||0==wd){Kq(lc.n,"Error in C4 stereospecification !");break b}if(1==Sb||1==wd)oa[0]=ga[0],oa[1]=ga[3],oa[2]=ga[2],oa[3]=ga[1],$c=Zc[0];else{for(Ba=0;4>Ba;++Ba)-1==Zc[Ba]&&(Zc[Ba]=0);Vd=2}}else if(3==Vd)if(3==Sb||3==wd)oa[0]=ga[0],oa[1]=ga[3],oa[2]=
ga[2],oa[3]=ga[1],0<Sb?$c=-1:$c=1;else{1==Sb?Sb=Cs=1:wd=Cs=-1;for(Ba=0;4>Ba;++Ba)Zc[Ba]==Cs&&(Zc[Ba]=0);Vd=2}if(2==Vd)if(1==Sb&&1==wd)ga[1]==rh?(ga[1]=ga[2],ga[2]=ga[3]):ga[2]==rh&&(ga[2]=ga[3]),oa[0]=Qm,oa[1]=rh,oa[2]=ga[2],oa[3]=ga[1],$c=1;else{if(Zc[0]==Zc[1]||Zc[1]==Zc[2]){Kq(lc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Zc[0]?(oa[0]=ga[0],oa[1]=ga[2],oa[2]=ga[1],oa[3]=ga[3]):(oa[0]=ga[1],oa[1]=ga[3],oa[2]=ga[2],oa[3]=ga[0]);1<Sb?$c=1:$c=-1}}var W=oa,Oj=Ib,pb=void 0;Oj[0]==W[1]?(pb=
W[0],W[0]=W[1],W[1]=pb,pb=W[2],W[2]=W[3],W[3]=pb):Oj[0]==W[2]?(pb=W[2],W[2]=W[0],W[0]=pb,pb=W[1],W[1]=W[3],W[3]=pb):Oj[0]==W[3]&&(pb=W[3],W[3]=W[0],W[0]=pb,pb=W[1],W[1]=W[2],W[2]=pb);Oj[1]==W[2]?(pb=W[1],W[1]=W[2],W[2]=pb,pb=W[2],W[2]=W[3],W[3]=pb):Oj[1]==W[3]&&(pb=W[1],W[1]=W[3],W[3]=pb,pb=W[2],W[2]=W[3],W[3]=pb);oa[2]==Ib[2]?Nm[mc]=1:oa[2]==Ib[3]?Nm[mc]=-1:Kq(lc.n,"Error in stereoprocessing ! - t30");Nm[mc]*=$c}}}nb=new dG;j=y(I,s,-1,a.t+1,1);for(u=1;u<=a.t;++u)j[b[u]]=u;for(u=1;u<=a.t;++u){c=b[u];
Q[c]&&sn(nb.a,ra);0<Ab[u]&&aH(a,c,Ab[c],nb,Nd);var uh=v[c],Kb=void 0,Pj=void 0,vh=void 0,T=void 0,T=Qc,Kb=!1;0!=a.A[c]&&(Kb=!0);0!=Od[c]&&(Kb=!0);vh=-1;for(Pj=1;Pj<=a.y;++Pj)if(a.q[Pj][0]==c){vh=a.q[Pj][1];break}-1<vh&&(Kb=!0);a.n.Nb&&0<a.d[c]&&(Kb=!0,vh=1);switch(a.b[c]){case 2:T=yb;break;case 3:uh?T="c":T=Cb;break;case 4:uh?(T=yf,0<a.x[c]&&(Kb=!0)):T=ec;break;case 5:uh?T="o":T=oc;break;case 7:uh?(T="p",0<a.x[c]&&(Kb=!0)):T=qc;break;case 8:uh?T=tg:T=Bc;break;case 13:uh?T=wg:T=Fc;Kb=!0;break;case 6:T=
Gc;Kb=!0;break;case 9:T=Pb;break;case 10:T=Hb;break;case 11:T=Bb;break;case 12:T=Wb;break;case 1:T=Ub;Kb=!0;break;case 19:T=rc;Kb=!0;break;case 20:T=sc;Kb=!0;break;case 21:T=tc;Kb=!0;break;case 22:T=uc;Kb=!0;break;case 18:Kb=!0,T=a.o[c],(F(T,ta)||F(T,dd)||F(T,ub))&&(Kb=!1)}Kb&&(T=Rc+T,1==Od[c]?T+=sb:-1==Od[c]&&(T+="@@"),1==a.x[c]?T+=Ub:1<a.x[c]&&(T+=Ub+a.x[c]),0!=a.A[c]&&(0<a.A[c]?T+=ua:T+=xa,1<$j(a.A[c])&&(T+=$j(a.A[c]))),-1<vh&&(T+=hb+vh),T+=Uc);sn(nb.a,T);for(G=1;G<=da;++G)if(r[G]==c||q[G]==c)d=
q[G],d==c&&(d=r[G]),j[c]<j[d]&&aH(a,r[G],q[G],nb,Nd),9<G&&sn(nb.a,"%"),tn(nb,l+(new S(G)).a);Md[c]&&sn(nb.a,sa)}return ho(nb.a)}function FE(a){a=new PC(a);bE(a);return a}
function cE(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.e[f]=a.e[e]);a.u=f;for(e=b;e<a.t;++e){a.b[e]=a.b[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)fD(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 dE(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.e[e]=a.e[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&cE(a,c);0==a.z[d]&&cE(a,d)}
function VG(a){var b,c,d;if(!a.n.N){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.b[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.b[d]&&18>a.b[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=MG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Ob)&&cE(a,c)}}}function SG(a){var b;b=a.b.length;a.G=is([b,7]);a.z=y(I,s,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])}
function XG(a,b,c){var d,e,f,g,j,h,n,o,r;a.f=y(I,s,-1,a.u+1,1);r=y(UG,m,-1,a.t+1,2);for(h=1;h<=a.t;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.z[h];++d)if(c[MG(a,h,a.G[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[h]+a.x[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:r[h]=!0;break;case 18:0==a.o[h].indexOf(ub)?r[h]=!1:r[h]=!0}}if(a.k){var q;d=y(UG,m,-1,a.t+1,2);e=!1;for(h=1;h<=a.u;++h)f=a.H[h],g=a.I[h],d[f]=!0,d[g]=!0,(18==a.b[f]||18==a.b[g])&&(e=!0);if(e){h=1;a:for(;h<=a.u;++h)if(c[h]){f=
a.H[h];g=a.I[h];e=y(UG,m,-1,a.t+1,2);for(n=1;n<=a.z[f];++n)j=a.G[f][n],j!=g&&d[j]&&(e[j]=!0);for(q=!1;;){for(n=1;n<=a.t;++n){q=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.z[n];++o){j=a.G[n][o];if(j==g){for(f=1;f<=a.t;++f)e[f]&&(5==a.b[f]&&(a.b[f]=18,a.o[f]="#8"),4==a.b[f]&&(a.b[f]=18,a.o[f]="#7"),8==a.b[f]&&(a.b[f]=18,a.o[f]="#16"));continue a}!e[j]&&d[j]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.u;++j)1==a.s[j]?a.f[j]=1:TG(a,j)?a.f[j]=2:3==a.s[j]&&(a.f[j]=3);j=1;a:for(;j<=a.u;++j)if(c[j]&&(f=a.H[j],
g=a.I[j],r[f]&&r[g])){d=y(UG,m,-1,a.t+1,2);for(h=1;h<=a.z[f];++h)e=a.G[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.t;++h){o=!1;if(d[h]&&r[h]&&h!=f)for(n=1;n<=a.z[h];++n){e=a.G[h][n];if(e==g){b[f]=!0;b[g]=!0;a.f[j]=5;continue a}!d[e]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function eD(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=N(M(zD((a.J[b]+a.J[c])/2))),a.N[d]=N(M(zD((a.M[b]+a.M[c])/2)))}function WG(a,b){var c;for(c=1;c<=a.u;++c)GD(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}
function ED(a,b){var c;c=(AC(),GC)[a.b[b]];18==a.b[b]&&(c=a.o[b]);return c}function TG(a,b){return 2==a.s[b]?!0:!1}function GD(a,b,c){var d,e,f,g;g=1;a.a=y(I,s,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.a[d]=0;for(d=a.a[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.a[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.a[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.a[a.G[d][e]]&&(a.a[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.a[c]}
function pE(a){var b,c;a.n.R=!0;if(a.n.Nb)a.j=-1,0==a.d[a.D]?a.d[a.D]=4:a.d[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.y){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.y,a.n.q&&(a.n.gb||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=is([b+5,2]),eG(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 $D(a){var b;a.y=0;a.r=0;GE(a);for(b=1;b<=a.t;++b)a.D=b,pE(a);a.D=0}
function aE(a){var b,c;b=y(bD,m,-1,4,1);cD(a,b);c=a.n.C.b;a.n.z||(c-=a.n.Y);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function WC(a,b){var c,d,e,f,g,j,h,n;c=y(bD,m,-1,4,1);cD(a,c);d=c[0];e=c[1];j=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.t;++g)h=a.J[g]*f+a.M[g]*j,n=-a.J[g]*j+a.M[g]*f,a.J[g]=h,a.M[g]=n;cD(a,c);for(g=1;g<=a.t;++g)a.J[g]+=d-c[0],a.M[g]+=e-c[1]}
function CE(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25*a.n.B/f):1<a.t&&(e=75*a.n.B/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e}
function fE(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Rc)&&YF(c,Uc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(va)&&(f=!0);-1<c.indexOf(jb)&&(f=!0);-1<c.indexOf(ha)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(hb);e=c.indexOf(Ub);g=Zj(c.indexOf(ua),c.indexOf(xa));if(-1<d){j=Vu(c,d+1);try{a.n.y=$B(j,10)}catch(h){if(h=Si(h),A(h,78))a.n.y=0;else throw h;}a.D=b;pE(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.b[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
g-0));a.b[b]=F(d,Cb)?3:F(d,yb)?2:F(d,ec)?4:F(d,oc)?5:F(d,qc)?7:F(d,Bc)?8:F(d,Pb)?9:F(d,Hb)?10:F(d,Bb)?11:F(d,Wb)?12:F(d,Ub)?1:F(d,Fc)?13:F(d,Gc)?6:F(d,rc)?19:F(d,sc)?20:F(d,tc)?21:F(d,uc)?22:18;18==a.b[b]&&(a.o[b]=d);c+=ba;d=0;0<e&&(d=1,e=XF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.x[b]=d);d=0;if(0<g&&(e=XF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=XF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=XF(c,g++);for(;45==e;)--d,e=XF(c,g++)}a.A[b]=d}}}
function OD(a,b,c){var d,e;a.j=1;c&&(a.j=-1);b=new vC(b);try{for(;b.j=oC(b,b.a),b.j<b.i;)d=MD($B(rC(b),10)).a,c=e=MD($B(rC(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Si(f),A(f,78))qn(f);else throw f;}}function aH(a,b,c,d,e){b=MG(a,b,c);5!=a.f[b]&&TG(a,b)?sn(d.a,ob):3==a.s[b]?sn(d.a,ha):9==a.s[b]?(e=rb,a=a.e[b],null!=a&&(e=a),sn(d.a,e)):1==e[b]?sn(d.a,Va):-1==e[b]&&sn(d.a,Tc)}
function qE(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,Kq(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:Kq(a.n,"Stereomarking allowed only on single and double bonds!")}
function ZG(a,b,c,d,e){var f,g,j,h,n,o,r,q,u;if(!(2!=a.s[b]||5==a.f[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);r=o=b=0;q=!1;for(n=1;n<=a.z[e];++n)g=a.G[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=MG(a,e,o);0!=d[h]?b=o:1==a.s[h]&&5!=a.f[h]&&(b=o);0==b&&(h=MG(a,e,r),0!=d[h]?b=r:1==a.s[h]&&5!=a.f[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.z[f];++n)g=a.G[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
r=j,j=g);h=MG(a,f,r);1==a.s[h]&&5!=a.f[h]&&0==d[h]&&(o=r);0==o&&(h=MG(a,f,j),1==a.s[h]&&5!=a.f[h]&&(o=j));if(!(0==b||0==o))if(h=a.J[f]-a.J[e],g=a.M[f]-a.M[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,r=(a.M[b]-a.M[e])*h-(a.J[b]-a.J[e])*g,u=(a.M[o]-a.M[e])*h-(a.J[o]-a.J[e])*g,2>(0>=r?0-r:r)||2>(0>=u?0-u:u))Kq(a.n,"Not unique E/Z geometry !");else{j=MG(a,b,e);f=MG(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.z[b];++n)if(g=a.G[b][n],g!=e&&(h=MG(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 RG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=MG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(TG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function $G(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0}
function eE(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=RG(c,d);if(-1==e)c.x[d]=0;else{switch(c.b[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]=
4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]=
0}0>c.x[d]&&(c.x[d]=0)}}}function gD(a){JG(this);this.n=a;this.y=this.u=this.t=0}
function ND(a,b){var c,d,e,f,g,j,h;gD.call(this,a);f=l;j=KD(b);if(null!=j){h=new uC(b,j,!0);for(e=1;4>=e;++e)f=LD(h,j);g=MD($B(co(f.substr(0,3)),10)).a;c=MD($B(co(f.substr(3,3)),10)).a;for(e=1;e<=g;++e)rE(this),f=LD(h,j),this.J[e]=(new UF(RF(co(f.substr(0,10))))).a,this.M[e]=-(new UF(RF(co(f.substr(10,10))))).a,d=34,34>f.length&&(d=f.length),d=co(f.substr(31,d-31)),fE(this,e,d),62<=f.length&&(f=co(f.substr(60,3)),0<f.length&&(f=MD($B(f,10)).a,0<f&&(this.D=e,a.y=f,pE(this),this.D=0)));for(e=1;e<=c;++e)yE(this),
f=LD(h,j),this.H[e]=MD($B(co(f.substr(0,3)),10)).a,this.I[e]=MD($B(co(f.substr(3,3)),10)).a,g=MD($B(co(f.substr(6,3)),10)).a,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=MD($B(co(f.substr(9,3)),10)).a),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);SG(this);CE(this);dD(this);for(bE(this);(h.j=oC(h,h.a),h.j<h.i)&&!(null==(f=rC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new tC(f);rC(g);rC(g);j=MD($B(rC(g),10)).a;
for(e=1;e<=j;++e)c=MD($B(rC(g),10)).a,this.A[c]=MD($B(rC(g),10)).a}if(0==f.indexOf("M APO")){g=new tC(f);rC(g);rC(g);j=MD($B(rC(g),10)).a;for(e=1;e<=j;++e)c=MD($B(rC(g),10)).a,f=MD($B(rC(g),10)).a,this.D=c,Z(this,0),fE(this,this.t,rc+f),this.D=0}}VG(this);bE(this)}}
function JE(a,b){var c,d,e,f,g;gD.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));YF(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new tC(b);d=MD($B(rC(f),10)).a;e=MD($B(rC(f),10)).a;for(c=1;c<=d;++c)g=rC(f),rE(this),fE(this,this.t,g),this.J[c]=(new UF(RF(rC(f)))).a,this.M[c]=-(new UF(RF(rC(f)))).a;for(c=1;c<=e;++c)if(yE(this),this.H[c]=MD($B(rC(f),10)).a,this.I[c]=MD($B(rC(f),10)).a,this.s[c]=MD($B(rC(f),10)).a,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]=
1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else if(11==this.s[c]||12==this.s[c]||13==this.s[c]||14==this.s[c])this.B[c]=this.s[c],this.s[c]=9;SG(this);CE(this);dD(this)}catch(j){j=Si(j);if(A(j,78)){j.Dc();this.t=0;return}throw j;}VG(this);bE(this)}}
function QD(a,b,c){var d,e,f;gD.call(this,a);f=y(I,s,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.a[a]==c&&(rE(this),this.b[this.t]=b.b[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.d[this.t]=b.d[a],this.c[this.t]=b.c[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.a[d]!=c&&b.a[e]!=c)&&!(b.a[d]!=c||b.a[e]!=c))yE(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.e[this.u]=b.e[a];for(a=
1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.j=b.j;bE(this);dD(this)}
function iE(a,b,c){var d,e,f,g,j;gD.call(this,a);for(a=1;a<=c;++a)this.t+=b[a].t,this.u+=b[a].u,this.y+=b[a].y;this.b=y(I,s,-1,this.t+1,1);this.A=y(I,s,-1,this.t+1,1);this.x=y(I,s,-1,this.t+1,1);this.d=y(I,s,-1,this.t+1,1);this.c=y(Gs,m,1,this.t+1,0);this.J=y(bD,m,-1,this.t+1,1);this.M=y(bD,m,-1,this.t+1,1);this.o=y(Gs,m,1,this.t+1,0);this.H=y(I,s,-1,this.u+1,1);this.I=y(I,s,-1,this.u+1,1);this.s=y(I,s,-1,this.u+1,1);this.e=y(Gs,m,1,this.u+1,0);this.B=y(I,s,-1,this.u+1,1);this.q=is([this.y+1,2]);
f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].t;++d)++e,this.b[e]=b[a].b[d],this.J[e]=b[a].J[d],this.M[e]=b[a].M[d],this.A[e]=b[a].A[d],this.x[e]=b[a].x[d],this.d[e]=b[a].d[d],this.c[e]=b[a].c[d],this.o[e]=b[a].o[d];for(d=1;d<=b[a].u;++d)++g,this.s[g]=b[a].s[d],this.B[g]=b[a].B[d],this.H[g]=b[a].H[d]+f,this.I[g]=b[a].I[d]+f,this.e[g]=b[a].e[d];for(d=1;d<=b[a].y;++d)++j,this.q[j][0]=b[a].q[d][0]+f,this.q[j][1]=b[a].q[d][1];f=e}bE(this);dD(this)}
function PC(a){var b;JG(this);this.n=a.n;this.t=a.t;this.u=a.u;this.y=a.y;this.b=y(I,s,-1,this.t+1,1);eG(a.b,this.b,this.t+1);this.A=y(I,s,-1,this.t+1,1);eG(a.A,this.A,this.t+1);this.x=y(I,s,-1,this.t+1,1);eG(a.x,this.x,this.t+1);this.d=y(I,s,-1,this.t+1,1);eG(a.d,this.d,this.t+1);this.c=y(Gs,m,1,this.t+1,0);eG(a.c,this.c,this.t+1);this.J=y(bD,m,-1,this.t+1,1);eG(a.J,this.J,this.t+1);this.M=y(bD,m,-1,this.t+1,1);eG(a.M,this.M,this.t+1);this.o=y(Gs,m,1,this.t+1,0);eG(a.o,this.o,this.t+1);this.H=y(I,
s,-1,this.u+1,1);eG(a.H,this.H,this.u+1);this.I=y(I,s,-1,this.u+1,1);eG(a.I,this.I,this.u+1);this.s=y(I,s,-1,this.u+1,1);eG(a.s,this.s,this.u+1);this.e=y(Gs,m,1,this.u+1,0);eG(a.e,this.e,this.u+1);this.B=y(I,s,-1,this.u+1,1);eG(a.B,this.B,this.u+1);this.q=is([this.y+1,2]);for(b=1;b<=this.y;++b)this.q[b][0]=a.q[b][0],this.q[b][1]=a.q[b][1];this.j=a.j}
function EE(a,b,c){var d,e,f;if(0==c)return gE(K(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=N(M(zD(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new UF(a)).a;d=eo(e,fo(46));0>d&&(e+=Ta,d=eo(e,fo(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=Ya;if(0==b)return e;e.length>b&&(e=rb);c=l;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function KD(a){var b;b=new uC(a,aa,!0);if(4<nC(b))return aa;b=new uC(a,lh,!0);return 4<nC(b)?lh:null}
function gE(a,b){var c,d,e;d=l+(new S(a)).a;d.length>b&&(d=rb);e=l;for(c=1;c<=b-d.length;++c)e+=ba;return e+d}function LD(a,b){for(var c,d;a.j=oC(a,a.a),a.j<a.i;){d=rC(a);if(F(d,b))return ba;for(rC(a);;)if(c=d.charCodeAt(d.length-1),124==c||10==c||13==c){if(d=d.substr(0,d.length-1-0),0==d.length)return ba}else break;return d}return null}t(518,1,{94:1},gD,ND,JE,QD,iE,PC);_.a=null;_.f=null;_.j=0;_.k=!1;_.n=null;_.p=!1;_.r=0;_.t=0;_.u=0;_.v=0;_.w=!1;_.y=0;_.C=!1;_.D=0;_.E=0;_.F=0;_.L=0;_.O=0;
function Lq(){Lq=x;Mq=new rB(Ub)}
function WD(a,b){var c;Lq();var d;CG.call(this);this.c=new Nz("Help");new Nz("Home");this.d=b;O(this,(AC(),CC));this.gc&&GA(this.gc.c,!1);DA(this,!1);d=ry(b);if(1==a)this.e||(this.e=new ZA(d),AG(this.e,-30,0)),this.j=this.e,c=NC(b),this.gc&&FA(this.gc,Cc),Yy(this,new Iz(2)),this.f=new rB(c+" "),P(this,this.f,Fb),d=new bz,P(d,this.i,null),this.d.Gb&&(c=new Nz("Submit"),P(d,c,null)),P(this,d,Kc),qB(this.f,co(jo(this.f.gc.a.gb,bh))),this.gc&&GA(this.gc.c,!0),DA(this,!0);else if(2==a)this.b||(this.b=
new ZA(d),AG(this.b,-50,13*b.Y-80)),this.j=this.b,this.gc&&FA(this.gc,"Nonstandard atom"),Yy(this,new Iz(2)),c=new bz,P(c,new SA("atomic SMILES",1),null),P(this,c,jc),c=Ub,Mq&&(c=jo(Mq.gc.a.gb,bh)),Mq=new sB(c,8),P(this,Mq,Fb),c=new bz,P(c,this.i,null),P(this,c,Kc);else{this.a||(this.a=new ZA(d),AG(this.a,5*b.Y,0));var e,f;d="About "+(AC(),OE);this.gc&&FA(this.gc,d);Yy(this,new OA(0));O(this,CC);P(this,new SA(OE+" Molecular Editor v2013-10-13",1),null);P(this,new SA("Peter Ertl and Bruno Bienfait",
1),null);for(c=BC,d=0,f=c.length;d<f;++d)e=c[d],e=new SA(e,1),Ey(e,this.d.x),P(this,e,null);c=new bz;P(c,this.c,null);P(c,this.i,null);P(this,c,null);this.j=this.a}CA(this);c=this.j;BG(this.gc.c,c.a,c.b);!qy(this)&&Vy(this);Fy(this)}t(519,511,li,WD);_.Jf=function(a){var b,c;if(a.f===this.c){try{b=new UB(this.d.H),c=TB(b),$wnd.open(c,"_blank",l)}catch(d){if(d=Si(d),A(d,66))a=this.d,b=d.f,a.kb=!0,a.J="ERROR - "+b,YC(a);else throw d;}return!0}return!1};_.a=null;_.b=null;_.d=null;_.e=null;_.f=null;var Mq;
function bH(a,b){py(b)==a.a?O(b,(Tz(),bA)):O(b,a.a)}
function cH(a){var b,c,d,e;e=l;d=!1;py(dH)!=a.a?(e=ta,d=!0):py(eH)!=a.a?(e="!#6",d=!0):py(fH)!=a.a?(O(gH,(Tz(),bA)),O(hH,bA),O(iH,bA),O(jH,bA),e="F,Cl,Br,I"):(b=py(kH)!=a.a,c=py(lH)!=a.a,py(mH)!=a.a&&(b?e+="c,":c?e+="C,":e+="#6,"),py(nH)!=a.a&&(b?e+="n,":c?e+="N,":e+="#7,"),py(oH)!=a.a&&(b?e+="o,":c?e+="O,":e+="#8,"),py(pH)!=a.a&&(b?e+="s,":c?e+="S,":e+="#16,"),py(qH)!=a.a&&(b?e+="p,":c?e+="P,":e+="#15,"),py(gH)!=a.a&&(e+="F,"),py(hH)!=a.a&&(e+="Cl,"),py(iH)!=a.a&&(e+="Br,"),py(jH)!=a.a&&(e+="I,"),
YF(e,va)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.b&&(b?e=dd:c?e=ub:(O(dH,(Tz(),bA)),e=ta)));b=l;d&&py(kH)!=a.a&&(b+=";a");d&&py(lH)!=a.a&&(b+=";A");py(rH)!=a.a&&(b+=";R");py(sH)!=a.a&&(b+=";!R");py(dH)!=a.a&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=tH.gc.a.gb.selectedIndex;0<d&&(--d,e+=";H"+d);d=uH.gc.a.gb.selectedIndex;0<d&&(--d,e+=";D"+d);py(vH)!=a.a&&(e="~");py(wH)!=a.a&&(e=hb);py(xH)!=a.a&&(e=sb);py(yH)!=a.a&&(e="!@");qB(a.e,e)}
function zH(a){AH(a);BH(a);var b=tH.gc.a;bx(b,0);b.gb.options[0].selected=!0;b=uH.gc.a;bx(b,0);b.gb.options[0].selected=!0;O(kH,a.a);O(lH,a.a);O(rH,a.a);O(sH,a.a);O(tH,a.a);O(uH,a.a);CH(a)}function AH(a){O(mH,a.a);O(nH,a.a);O(oH,a.a);O(pH,a.a);O(qH,a.a);O(gH,a.a);O(hH,a.a);O(iH,a.a);O(jH,a.a)}function BH(a){O(dH,a.a);O(eH,a.a);O(fH,a.a)}function CH(a){O(vH,a.a);O(wH,a.a);O(xH,a.a);O(yH,a.a);a.b=!1}
function XD(a){EA.call(this,"Atom/Bond Query");this.i=new Nz(this.If());mz(this.q,new DG(this));this.a=(AC(),CC);this.c=a;this.d||(a=ry(a),this.d=new ZA(a),AG(this.d,-150,10));this.j=this.d;Yy(this,new NA);O(this,this.a);a=new bz;Yy(a,new rA(0,3,1));P(a,new RA("Atom type :"),null);dH=new Nz(wb);eH=new Nz("Any except C");fH=new Nz("Halogen");P(a,dH,null);P(a,eH,null);P(a,fH,null);P(this,a,null);a=new bz;Yy(a,new rA(0,3,1));P(a,new SA("Or select one or more from the list :",0),null);P(this,a,null);
a=new bz;Yy(a,new rA(0,3,1));mH=new Nz(Cb);nH=new Nz(ec);oH=new Nz(oc);pH=new Nz(Bc);qH=new Nz(qc);gH=new Nz(Pb);hH=new Nz(Hb);iH=new Nz(Bb);jH=new Nz(Wb);P(a,mH,null);P(a,nH,null);P(a,oH,null);P(a,pH,null);P(a,qH,null);P(a,gH,null);P(a,hH,null);P(a,iH,null);P(a,jH,null);P(this,a,null);a=new bz;Yy(a,new rA(0,3,1));tH=new Rz;Qz(tH,wb);Qz(tH,Ya);Qz(tH,$a);Qz(tH,eb);Qz(tH,gb);P(a,new RA("Number of hydrogens : "),null);P(a,tH,null);P(this,a,null);a=new bz;Yy(a,new rA(0,3,1));uH=new Rz;Qz(uH,wb);Qz(uH,
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