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b,c,d,e;if(a.ub){d=UA(a.Y,1);c=a.eb;b=a.K.a-2*a.eb-a.$;Q(d,Yz);LA(d.a,K(J(R(0*(MA(),S)))),K(J(R(0*S))),K(J(R(c*S))),K(J(R(b*S))));a.xb?(Q(d,(Ix(),Nx)),T(d.a,K(J(R(0*S))),K(J(R((b-1)*S))),K(J(R(c*S))),K(J(R((b-1)*S)))),e=ZA*(a.eb+a.$)+2,T(d.a,K(J(R(0*S))),K(J(R(e*S))),K(J(R(c*S))),K(J(R(e*S)))),T(d.a,K(J(R(0*S))),K(J(R(e*S))),K(J(R(0*S))),K(J(R(b*S)))),NA(d,a.eb-1,e,a.eb-1,b-a.eb)):(Q(d,Zz),T(d.a,K(J(R(0*S))),K(J(R(0*S))),K(J(R(0*S))),K(J(R((b-1)*S)))),NA(d,0,ZA*a.eb,b-1,ZA*a.eb),\nQ(d,Yx(Yz)),NA(d,c-1,0,c-1,b-1-a.eb),T(d.a,K(J(R(0*S))),K(J(R((b-1)*S))),K(J(R((c-1)*S))),K(J(R((b-1)*S)))));for(b=3;b<=ZA+2;++b)CA(a,d,1,b);d=2*I(a.eb)+a.$;XA(a.dc,a.Y.a,0,d)}}\nfunction $A(a){var b,c,d,e;if(a.vb){e=UA(a.kb,a.J);c=a.K.b-a.eb;b=a.K.a-3*a.eb-a.$;Q(e,a.A);c/=a.J;b/=a.J;LA(e.a,K(J(R(0*(MA(),S)))),K(J(R(0*S))),K(J(R(c*S))),K(J(R(b*S))));d=a.lb?(Ey(),Hy):(Ey(),Jy);var f=(Ey(),Fy),g=e.a;if(f==(Ey(),Fy))d==Hy?g.b=mb:g.b=lb;d=new Fx(a.mb);e.b=new Fx(S*d.e);aB(e.a,e.b);for(d=1;d<=a.Db;++d){var f=a.nb[d],g=e,j=void 0,h=void 0,n=void 0,o=void 0,v=void 0,u=n=void 0,w=void 0,A=void 0,E=A=n=void 0,C=u=void 0,M=o=w=v=void 0,sa=j=void 0,P=h=void 0,la=h=o=w=u=C=o=w=M=E=u=\nC=A=C=void 0,h=P=v=P=M=v=u=n=la=E=n=u=u=void 0,A=C=1;f.z&&(vA(f),rA(f.r,1,f.r.Db,0),f.z=!1);bB(f.r,f.r.t);f.r.I&&(Q(g,(Ix(),Px)),EA(g,0,0,f.r.K.b-1,f.r.K.a-1));if(0!=f.w){if(-1==f.o){for(j=1;j<=f.w;++j)0<f.d[j]&&7>f.d[j]&&(Q(g,(Wz(),cA)[f.d[j]]),GA(g,f.M[j]-12,f.O[j]-12,24,24));for(j=1;j<=f.x;++j)h=f.K[j],o=f.L[j],0!=f.d[h]&&f.d[h]==f.d[o]&&(Q(g,(Wz(),cA)[f.d[h]]),u=f.M[o]-f.M[h],C=f.O[o]-f.O[h],A=Math.sqrt(u*u+C*C),1>A&&(A=1),C/=A,A=u/A,w=9*C,u=9*A,n=V(4),v=V(4),n[0]=f.M[h]+w,v[0]=f.O[h]-u,n[1]=\nf.M[o]+w,v[1]=f.O[o]-u,n[2]=f.M[o]-w,v[2]=f.O[o]+u,n[3]=f.M[h]-w,v[3]=f.O[h]+u,cB(g,n,v,4))}for(j=1;j<=f.x;++j){Q(g,(Ix(),Px));h=f.K[j];o=f.L[j];1==f.o&&0!=f.d[h]&&f.d[h]==f.d[o]&&Q(g,(Wz(),cA)[f.d[h]]);if(3==f.E[j]||4==f.E[j])n=h,h=o,o=n;n=f.M[h];v=f.O[h];la=f.M[o];P=f.O[o];if(1!=f.i[j]||0!=f.E[j])u=la-n,C=P-v,A=Math.sqrt(u*u+C*C),1>A&&(A=1),C/=A,A=u/A;switch(f.i[j]){case 2:10<=f.E[j]&&Q(g,Tx);w=2*C;u=2*A;T(g.a,K(J(R((n+w)*(MA(),S)))),K(J(R((v-u)*S))),K(J(R((la+w)*S))),K(J(R((P-u)*S))));T(g.a,K(J(R((n-\nw)*S))),K(J(R((v+u)*S))),K(J(R((la-w)*S))),K(J(R((P+u)*S))));Q(g,Px);break;case 3:T(g.a,K(J(R(n*(MA(),S)))),K(J(R(v*S))),K(J(R(la*S))),K(J(R(P*S))));h=3*C;o=3*A;T(g.a,K(J(R((n+h)*S))),K(J(R((v-o)*S))),K(J(R((la+h)*S))),K(J(R((P-o)*S))));T(g.a,K(J(R((n-h)*S))),K(J(R((v+o)*S))),K(J(R((la-h)*S))),K(J(R((P+o)*S))));break;case 9:case 0:for(h=0;10>h;++h)E=n-(n-la)/10*h,M=v-(v-P)/10*h,T(g.a,K(J(R(E*(MA(),S)))),K(J(R(M*S))),K(J(R(E*S))),K(J(R(M*S))));VA(g,f.r.r);o=dB(f.r.s);u=f.j[j];h=rb;null!=u&&(h=u);u=\nMy(f.r.s,h);u=(n+la)/2-u/2;P=(v+P)/2+~~(o/2)-1;Q(g,Tx);eB(g.a,h,K(J(R(u*(MA(),S)))),K(J(R(P*S))));Q(g,Px);break;default:if(1==f.E[j]||3==f.E[j])w=3*C,u=3*A,E=V(3),M=V(3),E[0]=la+w,M[0]=P-u,E[1]=n,M[1]=v,E[2]=la-w,M[2]=P+u,cB(g,E,M,3);else if(2==f.E[j]||4==f.E[j]){w=3*C;u=3*A;for(h=0;10>h;++h)E=n-(n-la)/10*h,M=v-(v-P)/10*h,o=h/10,T(g.a,K(J(R((E+w*o)*(MA(),S)))),K(J(R((M-u*o)*S))),K(J(R((E-w*o)*S))),K(J(R((M+u*o)*S))))}else T(g.a,K(J(R(n*(MA(),S)))),K(J(R(v*S))),K(J(R(la*S))),K(J(R(P*S))))}}A=V(f.w+\n1);C=V(f.w+1);for(j=1;j<=f.x;++j)h=f.K[j],o=f.L[j],n=f.M[h],v=f.M[o],++C[h],++C[o],A[h]=A[h]/C[h]+v/C[h],A[o]=A[o]/C[o]+n/C[o];VA(g,f.r.r);o=dB(f.r.s);la=V(f.w+1);v=V(f.w+1);n=t(fB,q,95,f.w+1,0);for(j=1;j<=f.w;++j)h=gB(f,j),(null==h||1>h.length)&&(h=ua),3==f.b[j]&&0<f.C[j]&&0==f.D[j]&&0==f.q[j]?(la[j]=v[j]=My(f.r.s,h),n[j]=hB(f,j,la[j],la[j],o,!1)):(P=A[j]<f.M[j],E=!0,1<C[j]&&(0>=A[j]-f.M[j]?0-(A[j]-f.M[j]):A[j]-f.M[j])<(f.r?25*f.r.J:25)/3&&(E=!1),2<C[j]&&(E=!1),1==C[j]&&(0>=A[j]-f.M[j]?0-(A[j]-f.M[j]):\nA[j]-f.M[j])<(f.r?25*f.r.J:25)/10&&(P=!0),u=h,M=l,f.r.Ub&&0<f.A[j]&&(M+=Hb,1<f.A[j]&&(M+=f.A[j])),sa=l,0!=f.q[j]&&(sa=lc+f.q[j]+pc),w=l,0!=f.D[j]&&(1<iB(f.D[j])&&(w+=iB(f.D[j])),0<f.D[j]?w+=va:w+=ya),P||!E?h=sa+h+M+w+l:h=w+M+l+sa+h,E||(u=h),u=My(f.r.s,u),w=My(f.r.s,h),la[j]=u,v[j]=w,w=n[j]=hB(f,j,u,w,o,P),u=w.c+2+1,P=w.d+o+2,Q(g,f.r.A),-1==f.o&&0!=f.d[j]&&Q(g,(Wz(),cA)[f.d[j]]),DA(g,w.c,w.d,w.b,w.a),1==f.o?0!=f.d[j]?Q(g,(Wz(),cA)[f.d[j]]):Q(g,(Ix(),Px)):Q(g,(Wz(),$z)[f.b[j]]),eB(g.a,h,K(J(R(u*(MA(),\nS)))),K(J(R(P*S)))));for(h=1;h<=f.B;++h)j=f.u[h][0],u=la[j],w=v[j],u=f.M[j]-u/2,P=f.O[j]+~~(o/2)-1,Q(g,(Ix(),Tx)),WA(g,m+f.u[h][1],u+w,P);if(0<f.G||0<f.H)if(Q(g,104==f.r.i?(Ix(),Qx):(Ix(),Wx)),0<f.G&&106!=f.r.i&&(w=n[f.G],EA(g,w.c,w.d,w.b,w.a)),0<f.H&&(h=f.K[f.H],o=f.L[f.H],u=f.M[o]-f.M[h],C=f.O[o]-f.O[h],A=Math.sqrt(u*u+C*C),1>A&&(A=1),C/=A,A=u/A,w=4*C,u=4*A,E=V(5),M=V(5),E[0]=f.M[h]+w,E[1]=f.M[o]+w,M[0]=f.O[h]-u,M[1]=f.O[o]-u,E[3]=f.M[h]-w,E[2]=f.M[o]-w,M[3]=f.O[h]+u,M[2]=f.O[o]+u,E[4]=E[0],M[4]=\nM[0],106!=f.r.i&&jB(g,E,M,5),106==f.r.i&&kB(f,f.K[f.H],f.L[f.H]))){C=0;for(j=1;j<=f.w;++j)0<f.a[j]&&++C;if(C>~~(f.w/2))for(j=1;j<=f.w;++j)0<f.a[j]?f.a[j]=0:f.a[j]=1;Q(g,(Ix(),Qx));for(j=1;j<=f.w;++j)0<f.a[j]&&(w=n[j],EA(g,w.c,w.d,w.b,w.a))}}}a.G||(a.xb?(Q(e,(Ix(),Nx)),T(e.a,K(J(R((c-1)*S))),K(J(R(0*S))),K(J(R((c-1)*S))),K(J(R((b-1)*S))))):(Q(e,Yx(Yz)),T(e.a,K(J(R((c-1)*S))),K(J(R(0*S))),K(J(R((c-1)*S))),K(J(R((b-1)*S)))),Q(e,Yz),T(e.a,K(J(R((c-2)*S))),K(J(R(0*S))),K(J(R((c-2)*S))),K(J(R((b-1)*S)))),\nQ(e,Zz),T(e.a,K(J(R((c-3)*S))),K(J(R(0*S))),K(J(R((c-3)*S))),K(J(R((b-1)*S))))));a.Ob&&(d=(c-48)/2,Q(e,(Ix(),Tx)),T(e.a,K(J(R(d*S))),K(J(R(b/2*S))),K(J(R((d+48)*S))),K(J(R(b/2*S)))),T(e.a,K(J(R((d+48)*S))),K(J(R(b/2*S))),K(J(R((d+48-6)*S))),K(J(R((b/2+6)*S)))),T(e.a,K(J(R((d+48)*S))),K(J(R(b/2*S))),K(J(R((d+48-6)*S))),K(J(R((b/2-6)*S)))));a.G&&(a._=new oy(Ib,0,13),a.cb=new Ly(a._),null!=a.jb&&(d=My(a.cb,a.jb),c=(c-d)/2,b-=13,Q(e,(Ix(),Px)),VA(e,a._),WA(e,a.jb,c,b)));e=I(a.eb);b=2*I(a.eb)+a.$;XA(a.dc,\na.kb.a,e,b)}}function SA(a,b,c,d,e){var f,g,j,h,n;f=a.eb/4;g=!1;h=t(sA,Yh,-1,9,1);n=t(sA,Yh,-1,9,1);c+=a.eb/2;d+=a.eb/2;f=a.eb/2-f/2;1==e&&(e=6,g=!0);for(a=0;a<=e;++a)j=6.283185307179586/e*(a-0.5),h[a]=c+f*Math.sin(j),n[a]=d+f*Math.cos(j);jB(b,h,n,e+1);if(g){for(a=0;a<=e;++a)j=6.283185307179586/e*(a-0.5),h[a]=c+(f-3)*Math.sin(j),n[a]=d+(f-3)*Math.cos(j);NA(b,h[0],n[0],h[1],n[1]);NA(b,h[2],n[2],h[3],n[3]);NA(b,h[4],n[4],h[5],n[5])}}\nfunction lB(a){var b,c,d;if(a.wb){d=UA(a._b,1);b=a.K.b;c=2*a.eb+a.$;Q(d,Yz);LA(d.a,K(J(R(0*(MA(),S)))),K(J(R(0*S))),K(J(R(b*S))),K(J(R(c*S))));a.xb?(Q(d,(Ix(),Nx)),c=14*(a.eb+a.$),EA(d,c,0,b-c-1,2*a.eb+a.$-1)):(Q(d,Yx(Yz)),T(d.a,K(J(R((b-1)*S))),K(J(R(0*S))),K(J(R((b-1)*S))),K(J(R((c-1)*S)))),T(d.a,K(J(R(0*S))),K(J(R((c-1)*S))),K(J(R((b-1-2)*S))),K(J(R((c-1)*S)))),Q(d,Zz),T(d.a,K(J(R(0*S))),K(J(R(0*S))),K(J(R((b-1)*S))),K(J(R(0*S)))));c=a.i;233<=a.i&&262>=a.i&&(a.i=213);for(b=1;14>=b;++b)CA(a,d,b,\n1),CA(a,d,b,2);a.i=c;XA(a.dc,a._b.a,0,0)}}\nfunction PA(a,b,c,d,e){var f,g,j,h,n,o,v,u;n=d/4;o=2+n/2;g=2+n;u=c+10*d/24;h=u+n;v=b+d;e?(j=2+b,f=o+b,g+=b):(f=v-o,j=v-2,g=v-g);T(a.a,K(J(R(j*(MA(),S)))),K(J(R(u*S))),K(J(R(f*S))),K(J(R(h*S))));T(a.a,K(J(R(g*S))),K(J(R(u*S))),K(J(R(f*S))),K(J(R(h*S))));j=n/3-0.5;T(a.a,K(J(R(f*S))),K(J(R((u+j)*S))),K(J(R(f*S))),K(J(R(h*S))));f=d-o-4;c=c+o-j;d=d-4-j-1;h=270;e?(b+=o,e=270):(b=v-f-o,h*=-1,e=-90);mB(a.a,K(J(R(b*S))),K(J(R(c*S))),K(J(R(f*S))),K(J(R(d*S))),K(J(Math.round(e))),K(J(Math.round(h))))}\nfunction uA(a){var b,c;c=b=0;a.K&&(b=a.K.b,c=a.K.a,a.G?c-=16:(b=I(b-a.eb),c=I(c-3*a.eb)));a=new nB;a.b=b;a.a=c;return a}\nfunction oB(a,b,c){var d,e,f,g,j,h;if(0==b.indexOf("$RXN")){a.Db=0;a.Ob=!0;a.sb=!0;d=pB(b);j=new Jz(b,d,!0);b=l;for(e=1;5>=e;++e)b=qB(j,d);e=rB(sB(Et(b.substr(0,3)),10)).a;g=rB(sB(Et(b.substr(3,3)),10)).a;qB(j,d);for(b=1;b<=e+g;++b){for(f=l;!(h=qB(j,d),null==h||G(h,"$MOL"));)f+=h+d;a.nb[++a.Db]=new tB(a,f)}rA(a,1,e,1);rA(a,e+1,e+g,3);a.o&&am(a.o,"readRXNFile")}else{a.fb=new tB(a,b);if(!a.fb||0==a.fb.w)return a.tb=!0,a.R="ERROR - problems in reading/processing MOL input",a.se(a.dc.d),!1;d=a.Ob||a.sb;\nnull!=a.p&&a.fb&&uB(a.fb,a.p,!0);null!=a.q&&a.fb&&uB(a.fb,a.q,!1);j=vB(a.fb,!1);if(1==j)d||(a.Db=0),a.nb[++a.Db]=a.fb;else{a.sb=!0;d=!1;for(b=1;b<=j;++b)a.nb[++a.Db]=new wB(a,a.fb,b)}d?a.k=a.Db:a.k=1;a.fb=a.nb[a.k];rA(a,1,j,0);a.o&&am(a.o,"readMolFile")}null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);c&&a.se(a.dc.d);return!0}function Mp(a,b){a.tb=!0;a.R=b}function bB(a,b){var c;c=Math.round(b);100>c&&(!eA[c]&&(eA[c]=new oy(Ib,0,c)),!gA[c]&&sm(gA,c,new Ly(eA[c])),a.r=eA[c],a.s=gA[c])}\nfunction Qp(a,b){var c,d;if(0==b)return!1;oA(a);c=a.i;a.i=b;if(300>=b)switch(a.wb=!0,a.ub=!0,b){case 102:xA(a);a.o&&am(a.o,jd);null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);break;case 110:a.vb=!0;a.i=c;a.gb.a!=a.gb.b&&a.gb.a.b!=a.gb.b?a.n&&(++a.Db,a.k=a.Db,a.n=!1):(a.tb=!0,a.R="No more undo");if(!(a.gb.a!=a.gb.b&&a.gb.a.b!=a.gb.b))break;xB(a,yB(a.gb));a.o&&am(a.o,"undo");null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);a.vb=!0;break;case 111:a.i=c;if(a.gb.a.c)a.n&&(++a.Db,a.k=a.Db,a.n=!1);else{a.tb=!0;a.R="No more redo";\nbreak}if(!a.gb.a.c)break;d=a.gb;if(!d.a.c)throw new Nt("Cannot redo. Index is out of range.");if(!d.a.c)throw new Nt(Kb);d.a=d.a.c;xB(a,d.a.a);a.o&&am(a.o,"redo");null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);a.vb=!0;break;case 152:a.i=c;d=a.Rb;d.a<d.c-1?(++d.a,d=Gs(d,d.a)):d=null;null==d?(a.tb=!0,a.R=Ub):(Mp(a,Rb+(a.Rb.a+1)+ca+a.Rb.c),d=zB(d),AB(a,d,!1,!0),a.o&&am(a.o,bc),null!=a.Bb&&Nz(a.Bb,null),a.o&&a.$e(a.o));break;case 151:a.i=c;d=a.Rb;0<d.a?(--d.a,d=Gs(d,d.a)):d=null;null==d?(a.tb=!0,a.R=Ub):(Mp(a,\nRb+(a.Rb.a+1)+ca+a.Rb.c),d=zB(d),AB(a,d,!1,!0),null!=a.Bb&&Nz(a.Bb,null),a.o&&a.$e(a.o),a.o&&am(a.o,bc),null!=a.Bb&&Nz(a.Bb,null),a.o&&a.$e(a.o));break;case 101:wm(3,new BB(a));a.i=c;break;case 107:wm(1,new CB(a));break;case 114:wm(2,new DB(a));a.i=c;break;case 103:a.vb=!0;a.yb=!0;a.i=c;a.o&&am(a.o,jd);null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);break;case 105:a.vb=!0;a.x&&a.pb&&(a.pb=!1,EB(a.fb),a.i=c);a.F=1;a.o&&am(a.o,"mark");null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);break;case 109:a.i=c;d=FB(a.fb);\nif(2==d){a.tb=!0;a.R="Copying the agent not possible !";break}d=tA(a.fb);a.vb=!0;a.fb=new kA(a.fb);d=I((a.K.b-a.eb)/2-d.a);for(c=1;c<=a.fb.w;++c)a.fb.M[c]+=2*d;GB(a.fb);a.nb[++a.Db]=a.fb;a.k=a.Db;a.o&&am(a.o,"reactionCopy");null!=a.Bb&&Nz(a.Bb,null);a.o&&a.$e(a.o);break;case 104:0<a.fb.G?(a.vb=!0,HB(a.fb,a.fb.G),IB(a,Bd,a.fb.G),a.fb.G=0,pA(a)):0<a.fb.H&&(a.vb=!0,JB(a.fb,a.fb.H),IB(a,Cd,a.fb.G),a.fb.H=0,pA(a));KB(a.fb);break;case 213:a.i=c;if(!a.M){var e,f,g,j;j=new By;for(d=a.O,e=0,f=d.length;e<f;++e)c=\nd[e],g=new uy(c),zy(j,g),g.c=c,Bx(g.d,a);Hw(a,j);a.M=j}LB(a.M.a,a,a.N.a,a.N.b)}else{a.ub=!0;a.wb=!0;switch(b){case 301:a.j=3;break;case 401:a.j=4;break;case 501:a.j=5;break;case 701:a.j=9;break;case 801:a.j=10;break;case 901:a.j=11;break;case 1001:a.j=12;break;case 601:a.j=8;break;case 1101:a.j=7;break;case 1300:a.j=1;break;case 1201:wm(4,new MB(a)),a.j=18}1301<=b&&1310>=b&&(a.j=19+(b-1301));0<a.fb.G&&(a.vb=!0,a.j!=a.fb.b[a.fb.G]&&18!=a.j&&(a.fb.b[a.fb.G]=a.j,a.fb.D[a.fb.G]=0,a.fb.q[a.fb.G]=0,a.fb.A[a.fb.G]=\n0,pA(a),IB(a,jg+a.j,a.fb.G)),18==a.j&&(d=Zm((Np(),Op).rc.a.pb,Sg),NB(a.fb,a.fb.G,d),pA(a),IB(a,jg+a.j,a.fb.G)),KB(a.fb))}a.se(a.dc.d);return!0}\nfunction Jp(a,b){var c,d,e;e=mA(a);d=l;if(a.Ob){var f,g,j;j=fr([OB,gm],[q,Vh],[71,-1],[4,a.Db+1],0,2,1);for(g=1;3>=g;++g){f=0;for(c=1;c<=a.Db;++c)FB(a.nb[c])==g&&(j[g][++f]=c);j[g][0]=f}d=d+"$RXN\\n\\n\\nJME Molecular Editor\\n"+(PB(j[1][0],3)+PB(j[3][0],3)+aa);for(c=1;c<=j[1][0];++c)d+=ha+QB(a.nb[j[1][c]],e);for(c=1;c<=j[3][0];++c)d+=ha+QB(a.nb[j[3][c]],e)}else{1<a.Db&&(a.fb=new RB(a,a.nb,a.Db));if(b){d=a.fb;var h,n,o;g=0;for(c=1;c<=d.x;++c)if(0!=d.E[c]){g=1;break}f=e;79<e.length&&(f=e.substr(0,76)+\nVa);f+=(Wz(),aa);f+=Lb+new SB+ba;f=f+"  0  0  0  0  0  0  0  0  0  0999 V3000\\nM  V30 BEGIN CTAB\\n"+("M  V30 COUNTS "+d.w+m+d.x+" 0 0 "+g+aa);f+="M  V30 BEGIN ATOM\\n";g=-1.7976931348623157E308;e=1.7976931348623157E308;for(c=1;c<=d.w;++c)d.O[c]>g&&(g=d.O[c]),d.M[c]<e&&(e=d.M[c]);for(c=1;c<=d.w;++c){f+=Pb;h=gB(d,c);f+=c+m+h;o=0;n=-1;for(h=1;h<=d.B;++h)if(d.u[h][0]==c){n=d.u[h][1];break}-1<n&&(o=n);f+=m+TB(0.055999999999999994*(d.M[c]-e),0,4)+m+TB(0.055999999999999994*(g-d.O[c]),0,4)+m+TB(0,0,4)+m+o;\n0!=d.D[c]&&(f+=" CHG="+d.D[c]);f+=aa}f+="M  V30 END ATOM\\nM  V30 BEGIN BOND\\n";for(c=1;c<=d.x;++c)f+=Pb+c,g=d.i[c],1==d.i[c]?g=1:UB(d,c)&&(g=2),e=d.K[c]+m+d.L[c],h=0,1==d.i[c]&&1==d.E[c]?h=1:1==d.i[c]&&2==d.E[c]&&(h=3),1==d.i[c]&&3==d.E[c]&&(h=1,e=d.L[c]+m+d.K[c]),1==d.i[c]&&4==d.E[c]&&(h=3,e=d.L[c]+m+d.K[c]),f+=m+g+m+e,0!=h&&(f+=" CFG="+h),f+=aa;f+="M  V30 END BOND\\n";e=new Ji;o=new Ji;g=new Ji;for(c=0;10>c;++c)sm(o.b,o.c++,null),sm(g.b,g.c++,null);for(c=1;c<=d.w;++c)null==d.c[c]||0==d.c[c].length||\n(G(d.c[c],"abs")?Di(e,new N(c)):0==d.c[c].indexOf("mix")?(h=sB(Ft(d.c[c],3),10),n=null,g.c>h&&(n=(fy(h,g.c),g.b[h])),null==n?j=new Ji:j=n,Di(j,new N(c)),ky(g,h,j)):0==d.c[c].indexOf("or")&&(h=sB(Ft(d.c[c],2),10),n=null,o.c>h&&(n=(fy(h,o.c),o.b[h])),null==n?j=new Ji:j=n,Di(j,new N(c)),ky(o,h,j)));f+=VB("MDLV30/STEABS",e);if(0<o.c)for(c=1;c<o.c;++c)f+=VB("MDLV30/STEREL"+c,(fy(c,o.c),o.b[c]));if(0<g.c)for(c=1;c<g.c;++c)f+=VB("MDLV30/STERAC"+c,(fy(c,g.c),g.b[c]));d=f=f+"M  V30 END CTAB\\n"+Ob}else d=QB(a.fb,\ne);1<a.Db&&(a.fb=a.nb[a.k])}return d}\nfunction WB(a,b,c,d){var e;a.ob=!1;e=c;var f=d,g,j;(g=XB(b),j=0!=(b.e&2),g||j)?(g=a.Ob?(!a.D&&(a.D=zA(a,!0)),a.D):(!a.C&&(a.C=zA(a,!1)),a.C),LB(g.a,a,e,f),e=!0):e=!1;if(e)return a.ob=!0;if(a.G&&!a.H)return!1;e=!0;a.tb=!1;a.bc=c-I(a.eb);a.cc=d-(2*I(a.eb)+a.$);a.tb=!0;a.R=l;a.pb=YB(b);a.qb=!1;if(c<a.eb||d<2*a.eb+a.$){b=0;for(e=1;14>=e;++e)if(c<e*(a.eb+a.$)){b=e;break}c=0;for(e=1;e<=ZA+2;++e)if(d<e*(a.eb+a.$)){c=e;break}if(0==b||0==c)return!1;e=100*c+b;if(112==e)return a.Wb=!0,a.tb=!0,a.R="Next ring will be added as spiro",\nZB(a),a.ob=!0;if(113==e)if(a.Sb)a.tb=!0,a.R="Move one atom",ZB(a);else return a.ob=!0;if(!a.ac&&1201==e||!a.Lb&&107==e||!a.Yb&&201==e||!a.sb&&103==e||!a.Cb&&!a.x&&105==e||!a.Ob&&109==e||214==e)return!1;e=Qp(a,e)}else{if(d>a.K.a-a.eb-1)return!1;a.qb=!0;c=I(c-a.eb);d=I(d-(2*a.eb+a.$));if(0<a.fb.G)if(104==a.i)HB(a.fb,a.fb.G),IB(a,Bd,a.fb.G),a.fb.G=0,pA(a);else{if(106==a.i)return!0;if(108==a.i)$B(a.fb,a.fb.G,0),IB(a,"chargeAtom0",a.fb.G),pA(a);else if(157==a.i)$B(a.fb,a.fb.G,1),IB(a,"chargeAtom+",a.fb.G),\npA(a);else if(158==a.i)$B(a.fb,a.fb.G,-1),IB(a,"chargeAtom-",a.fb.G),pA(a);else if(202==a.i||203==a.i||204==a.i||201==a.i||205==a.i)a.W=1,d=a.fb,W(d,d.G,0),a.fb.I=a.fb.G,205==a.i?(a.fb.y=1,a.fb.n[1]=a.fb.w,a.fb.n[0]=a.fb.G,a.fb.H=0,a.o&&aC(am(a.o,uc),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o)):(a.o&&aC(am(a.o,uc),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a));else if(206<=a.i&&229>=a.i)a.W=2,cC(a.fb),IB(a,zc,a.fb.G),pA(a);else if(230==a.i)a.W=3,IB(a,Ac,a.fb.G),\npA(a);else if(233<=a.i&&262>a.i)dC(a.fb,!1),IB(a,yc,a.fb.G),pA(a),a.W=3;else if(107==a.i){if(a.Mb.b)return!0;NB(a.fb,a.fb.G,a.Mb.tg());a.fb.p=!0;IB(a,"addAtomQuery",a.fb.G);pA(a)}else if(105==a.i)(d=eC(a.fb,!1))?IB(a,"markAtom",a.fb.G):IB(a,"unMarkAtom",a.fb.G),pA(a);else if(113!=a.i)if(300<a.i){if(a.j!=a.fb.b[a.fb.G]||18==a.j)a.fb.b[a.fb.G]=a.j,a.fb.D[a.fb.G]=0,a.fb.q[a.fb.G]=0,a.fb.A[a.fb.G]=0,18==a.j&&(d=Zm((Np(),Op).rc.a.pb,Sg),1>d.length&&(d=kc),NB(a.fb,a.fb.G,d)),IB(a,jg+a.j,a.fb.G),pA(a)}else e=\n!1}else if(0<a.fb.H)if(104==a.i)JB(a.fb,a.fb.H),a.o&&aC(am(a.o,Cd),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),a.fb.H=0,pA(a);else if(106==a.i){d=a.fb;c=a.fb.H;if(0<d.a[d.K[c]]&&0<d.a[d.L[c]])Mp(d.r,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.w;1<=b;--b)0<d.a[b]&&b>c&&(c=b);if(0==c)break;HB(d,c);d.a[c]=0}a.o&&aC(am(a.o,"delBondGroup"),a.fb.G,a.fb.H,a.k);null!=a.Bb&&Nz(a.Bb,null);a.o&&bC(a,a.o);a.fb.H=0;pA(a)}else if(201==a.i)fC(a.fb,a.fb.H),a.o&&aC(am(a.o,"setBondStereo"),\na.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a);else if(202==a.i||205==a.i)1==a.fb.i[a.fb.H]&&0==a.fb.E[a.fb.H]?(a.fb.i[a.fb.H]=2,a.o&&aC(am(a.o,kg),a.fb.G,a.fb.H,a.k)):(a.fb.i[a.fb.H]=1,a.fb.E[a.fb.H]=0,a.o&&aC(am(a.o,"setBondSingle"),a.fb.G,a.fb.H,a.k)),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a),a.fb.E[a.fb.H]=0;else if(203==a.i)a.fb.i[a.fb.H]=2,a.fb.E[a.fb.H]=0,a.o&&aC(am(a.o,kg),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a);else if(204==a.i)a.fb.i[a.fb.H]=\n3,a.fb.E[a.fb.H]=0,a.o&&aC(am(a.o,"setBondTriple"),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a);else if(206<=a.i&&229>=a.i)a.W=2,cC(a.fb),a.o&&aC(am(a.o,"addRingBond"),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a);else if(107==a.i){if(!a.Mb.b)return!0;d=a.Mb.tg();a.fb.i[a.fb.H]=9;a.fb.j[a.fb.H]=d;a.o&&aC(am(a.o,"setQueryBond"),a.fb.G,a.fb.H,a.k);null!=a.Bb&&Nz(a.Bb,null);a.o&&bC(a,a.o);pA(a)}else 105==a.i?(d=a.fb,b=a.fb.H,d.r.Z=!0,d.r.Xb?(d.o=-1,c=d.K[b],b=\nd.L[b],f=d.d[c],g=d.d[b],j=4,f==g&&0<f&&(j=0),d.d[c]=j,d.d[b]=j,d=0<j):d=!1,d?(!!a.o&&aC(am(a.o,"markBond"),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),!!a.o&&bC(a,a.o)):(!!a.o&&aC(am(a.o,"unMarkBond"),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),!!a.o&&bC(a,a.o)),pA(a)):e=!1;else if(0==a.Db||a.yb){if(201>=a.i)return!1;++a.Db;a.k=a.Db;a.nb[a.Db]=new yA(a);a.fb=a.nb[a.Db];a.yb=!1;202<=a.i&&204>=a.i||205==a.i?(gC(a.fb),a.fb.x=0,a.fb.C[1]=0,a.fb.M[1]=c,a.fb.O[1]=d,a.fb.G=1,a.fb.I=1,a.W=1,b=a.fb,W(b,\nb.G,0),205==a.i?(a.fb.M[2]=c+21.65,a.fb.O[2]=d-12.5,a.fb.n[0]=1,a.fb.n[1]=2,a.fb.y=1,a.o&&aC(am(a.o,"addChain"),a.fb.G,a.fb.H,a.k)):a.o&&aC(am(a.o,uc),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o)):206<=a.i&&229>=a.i?(a.fb.N=c,a.fb.P=d,a.W=2,cC(a.fb),a.o&&am(a.o,zc),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o)):300<a.i?(gC(a.fb),a.fb.b[1]=a.j,a.fb.x=0,a.fb.C[1]=0,a.fb.M[1]=c,a.fb.O[1]=d,a.fb.G=1,18==a.j&&(d=Zm((Np(),Op).rc.a.pb,Sg),1>d.length&&(d=kc),NB(a.fb,1,d)),IB(a,"addAtom",a.fb.G)):\n230==a.i?(hC(a,null,!0),a.o&&am(a.o,Ac),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o)):233<=a.i&&262>a.i?(gC(a.fb),a.fb.x=0,a.fb.C[1]=0,a.fb.M[1]=c,a.fb.O[1]=d,a.fb.G=1,dC(a.fb,!0),a.o&&am(a.o,yc),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o)):lz();pA(a)}else e=!1;e&&(KB(a.fb),a.ub=!1,a.wb=!1,a.vb=!0,ZB(a))}return a.ob=e}\nfunction iC(a,b,c,d){var e,f;if(a.G&&!a.H||!a.qb||XB(b))return!0;a.tb=!1;c=I(c-a.eb);d=I(d-2*a.eb);e=c-a.bc;f=d-a.cc;if(2==a.W||3==a.W||9==a.W)return!0;if(1==a.W){a:{b=a.fb;e=c;f=d;var g,j,h,n,o,v,u;b.G=0;b.M[0]=e;b.O[0]=f;g=jC(b,0,1,b.w);if(0<g&&205!=b.r.i)b.G=g,g!=b.I?(b.M[b.w]=b.M[g],b.O[b.w]=b.O[g]):(b.M[b.w]=b.N,b.O[b.w]=b.P);else if(205==b.r.i){b.H=0;g=b.n[b.y];n=b.n[b.y-1];j=b.M[g]-b.M[n];h=b.O[g]-b.O[n];g=Math.sqrt(j*j+h*h);1>g&&(g=1);h/=g;j/=g;o=g/2/Math.tan(0.5235987755982988);v=e-b.M[n];\nu=f-b.O[n];n=-g/2+v*j+u*h;h=u*j-v*h;if(0>n)if(1<b.y)HB(b,b.w),IB(b.r,"deleteAtom",b.w),--b.y,b.F=!1;else if(2==b.w)0>b.O[2]-b.O[1]&&0<f-b.O[1]?b.O[2]=b.O[1]+g/2:0<b.O[2]-b.O[1]&&0>f-b.O[1]&&(b.O[2]=b.O[1]-g/2),0>b.M[2]-b.M[1]&&0<e-b.M[1]?b.M[2]=b.M[1]+0.866*g:0<b.M[2]-b.M[1]&&0>e-b.M[1]&&(b.M[2]=b.M[1]-0.866*g);else{if(2==b.C[b.n[0]]&&(o=b.J[b.n[0]][1],o==b.n[1]&&(o=b.J[b.n[0]][2]),j=b.M[b.n[0]]-b.M[o],h=b.O[b.n[0]]-b.O[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,v=e-b.M[o],u=f-b.O[o],e=u*j-v*h,\nv=b.M[b.n[1]]-b.M[o],u=b.O[b.n[1]]-b.O[o],f=u*j-v*h,0<e&&0>f||0>e&&0<f))e=b.x,b.G=b.n[0],W(b,b.G,0),JB(b,e),0<jC(b,b.w,1,b.w)&&(b.F=!0)}else{if(b.F)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.y;if(100<b.y){Mp(b.r,"You are too focused on chains, enough of it for now !");--b.y;break a}b.G=b.w;e=K(J(Math.round(h)));W(b,b.G,e);e=b.r;e.o&&aC(am(e.o,uc),e.fb.G,e.fb.H,e.k);null!=e.Bb&&Nz(e.Bb,null);e.o&&e.$e(e.o);b.n[b.y]=b.w;0<jC(b,b.w,1,b.w)&&(b.F=!0)}}b.G=0;e=b.y;Mp(b.r,e+l)}else 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c,d;b.F&&(c=jC(b,b.w,1,b.w),6>b.C[c]&&(qC(b),d=b.n[b.y-1],b.K[b.x]=c,b.L[b.x]=d,b.J[c][++b.C[c]]=d,b.J[d][++b.C[d]]=c),HB(b,b.w));b.F=!1;pA(a)}else a:{b=a.fb;var e,f;c=jC(b,b.w,1,b.w);if(0!=c){--b.w;for(f=1;f<b.x;++f)if(d=b.K[f],e=b.L[f],d==c&&e==b.I||d==b.I&&e==c){--b.x;--b.C[b.I];3>b.i[f]?(++b.i[f],b.E[f]=\n0):Mp(b.r,"Maximum allowed bond order is 3 !");break a}6==b.C[c]?(--b.x,--b.C[b.I],Mp(b.r,"Not possible connection !")):(b.L[b.x]=c,b.J[c][++b.C[c]]=b.I,b.J[b.I][b.C[b.I]]=c,b.e[b.x]=K(J(R((b.M[b.I]+b.M[c])/2))),b.f[b.x]=K(J(R((b.O[b.I]+b.O[c])/2))))}}wA(a.fb);a.y&&(b=a.gb,b.a!=b.b&&b.a.b!=b.b&&(c=b.a.c,yB(b),b.a.c=c),a.o&&aC(am(a.o,uc),a.fb.G,a.fb.H,a.k),null!=a.Bb&&Nz(a.Bb,null),a.o&&bC(a,a.o),pA(a),a.y=!1);b=!0}else 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wC(a,b){var c,d,e;e=l;for(d=1;d<=a.Db;++d){if(0<b&&(c=FB(a.nb[d]),c!=b))continue;c=a.nb[d];for(var f=void 0,g=void 0,j=void 0,h=void 0,n=g=f=void 0,o=void 0,j=void 0,o=l+c.w+m+c.x,h=1;h<=c.w;++h){j=l;0!=c.q[h]&&(j+=c.q[h]);j+=gB(c,h);c.r.U&&0<c.A[h]&&(j+=Hb,1<c.A[h]&&(j+=c.A[h]));0!=c.D[h]&&(0<c.D[h]?j+=va:j+=ya,1<iB(c.D[h])&&(j+=iB(c.D[h])));g=-1;for(f=1;f<=c.B;++f)if(c.u[f][0]==h){g=c.u[f][1];break}c.r.Xb&&0<c.d[h]&&(g=1);-1<g&&(j+=hb+g);o+=m+j+m+TB(0.055999999999999994*c.M[h],0,2)+m+TB(0.055999999999999994*\n-c.O[h],0,2)}for(h=1;h<=c.x;++h)f=c.K[h],g=c.L[h],n=c.i[h],1==c.E[h]?n=-1:2==c.E[h]?n=-2:3==c.E[h]?(n=-1,j=f,f=g,g=j):4==c.E[h]?(n=-2,j=f,f=g,g=j):10==c.E[h]&&(n=-5),9==c.i[h]&&(n=c.E[h]),o+=m+f+m+g+m+n;c=o;0<c.length&&(0<e.length&&(e+=ah),e+=c)}return e}function jA(a,b){var c,d,e;e=l;for(c=1;c<=a.Db;++c){if(0<b&&(d=FB(a.nb[c]),d!=b))continue;d=void 0;d=xC(a.nb[c]);d=yC(d);0<d.length&&(0<e.length&&(e+=Ua),e+=d)}return e}\nfunction pA(a){var b,c,d,e;e=new zC;e.a=a.k;e.f=a.Db;c=!1;for(b=1;99>b;++b)if(d=a.nb[b])0<d.w&&(c=!0),e.d[b]=xC(d);else break;e.i=a.Ob;e.e=a.sb;e.b=a.J;e.c=a.W;if(b=c?e:null)a=a.gb,b=new AC(b),c=a.a.c,a.a.c=b,b.b=a.a,c&&(b.c=c,c.b=b),a.a=b}function AB(a,b,c,d){try{oB(a,b,d)?c&&pA(a):a.se(a.dc.d)}catch(e){if(e=Cm(e),D(e,79))a.se(a.dc.d);else throw e;}}\nfunction hC(a,b,c){try{var d;a:{var e,f,g,j,h,n,o,v;BC(a,c);e=j=0;v=new Jz(b,"|>",!0);g=-1<b.indexOf(qb);n=1;h=Cz(v);a.Db=0;for(f=1;f<=h;++f)if(o=Gz(v),Et(o),!G(o,ah))if(G(o,qb))++n,2==n?j=a.Db:3==n&&(e=a.Db+1);else{a.fb=new CC(a,o);if(0==a.fb.w){DC(a,"ERROR - problems in reading/processing molecule !");lz();d=!1;break a}++a.Db;a.k=a.Db;a.nb[a.Db]=a.fb}2==n?(DC(a,"ERROR - strange reaction - fixing !"),lz(),d=!1):3<n?(DC(a,"ERROR - strange reaction 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c;a.I=a.G;c=0;if(233==a.r.i||237==a.r.i||236==a.r.i||239==a.r.i||251==a.r.i||252==a.r.i)W(a,a.G,0),a.G=a.w,a.t=!0,W(a,a.G,0),a.t=!1,a.G=a.w-1,W(a,a.G,0),a.G=a.w-2,W(a,a.G,0),237==a.r.i&&(a.b[a.w]=10,a.b[a.w-1]=10,a.b[a.w-2]=10),236==a.r.i&&(a.b[a.w]=9,a.b[a.w-1]=9,a.b[a.w-2]=9),239==a.r.i&&(a.b[a.w]=5,a.b[a.w-1]=5,a.b[a.w-2]=5,a.b[a.w-3]=8,a.i[a.x]=2,a.i[a.x-1]=2),252==a.r.i&&(a.b[a.w]=5,a.b[a.w-1]=5,a.b[a.w-2]=4,a.b[a.w-3]=8,a.i[a.x]=2,a.i[a.x-1]=2),251==a.r.i&&(a.b[a.w]=5,a.b[a.w-\n1]=5,a.b[a.w-2]=5,a.b[a.w-3]=7,a.i[a.x]=2),c=4;else if(244==a.r.i)W(a,a.G,0),a.b[a.w]=4,a.G=a.w,W(a,a.G,0),a.b[a.w]=8,a.G=a.w,a.t=!0,W(a,a.G,0),a.t=!1,a.G=a.w-1,W(a,a.G,0),a.b[a.w]=5,a.i[a.x]=2,a.G=a.w-2,W(a,a.G,0),a.b[a.w]=5,a.i[a.x]=2,c=5;else if(234==a.r.i)W(a,a.G,0),a.b[a.w]=4,a.G=a.w,a.r.Hb&&$B(a,a.G,1),W(a,a.G,0),a.b[a.w]=5,a.i[a.x]=2,a.G=a.w-1,W(a,a.G,0),a.b[a.w]=5,a.r.Hb?(a.i[a.x]=1,$B(a,a.w,-1)):a.i[a.x]=2,c=3;else if(235==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.b[a.w]=5,a.G=a.w-1,W(a,a.G,\n0),a.b[a.w]=5,a.i[a.x]=2,c=3;else if(240==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.b[a.w]=5,a.G=a.w,W(a,a.G,0),a.G=a.w-2,W(a,a.G,0),a.b[a.w]=5,a.i[a.x]=2,c=4;else if(260==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.b[a.w]=4,a.G=a.w-1,W(a,a.G,0),a.b[a.w]=5,a.i[a.x]=2,c=3;else if(261==a.r.i)W(a,a.G,0),a.b[a.w]=4,a.G=a.w,W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.b[a.w]=5,a.i[a.x]=2,c=3;else if(241==a.r.i)W(a,a.G,0),a.b[a.w]=5,a.G=a.w,W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.G=a.w-1,W(a,a.G,0),a.i[a.x]=2,a.b[a.w]=5,c=4;else if(243==\na.r.i)W(a,a.G,0),a.b[a.w]=4,a.G=a.w,W(a,a.G,0),a.G=a.w-1,W(a,a.G,0),c=3;else if(238==a.r.i)W(a,a.G,0),a.G=a.w,a.t=!0,W(a,a.G,0),a.i[a.x]=3,a.t=!1,c=2;else if(249==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.i[a.x]=2,a.b[a.w]=5,c=2;else if(250==a.r.i)W(a,a.G,0),a.i[a.x]=2,a.b[a.w]=5,c=1;else if(245==a.r.i)W(a,a.G,0),a.G=a.w,a.t=!0,W(a,a.G,0),a.G=a.w,a.i[a.x]=3,W(a,a.G,0),a.t=!1,c=3;else if(242==a.r.i)W(a,a.G,0),a.G=a.w,a.t=!0,W(a,a.G,0),a.i[a.x]=3,a.b[a.w]=4,a.t=!1,c=2;else if(254==a.r.i)W(a,a.G,0),a.b[a.w]=\n9,c=1;else if(255==a.r.i)W(a,a.G,0),a.b[a.w]=10,c=1;else if(256==a.r.i)W(a,a.G,0),a.b[a.w]=11,c=1;else if(257==a.r.i)W(a,a.G,0),a.b[a.w]=12,c=1;else if(258==a.r.i)W(a,a.G,0),a.b[a.w]=4,c=1;else if(259==a.r.i)W(a,a.G,0),a.b[a.w]=5,c=1;else if(246==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),c=2;else if(247==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.G=a.w,W(a,a.G,0),c=3;else if(248==a.r.i)W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.G=a.w,W(a,a.G,0),a.G=a.w,W(a,a.G,0),c=4;else if(253==a.r.i){var d,e,f,g,j,h,n,o;if(!a.r.Zb||\n0==a.r.Zb.w)c=0;else{c=0;o=a.r.Zb;for(g=1;g<=o.B;++g)e=o.u[g][0],1==o.u[g][1]&&(c=e);g=a.w;j=a.G;e=new XE;f=YE(e,a,j,1);d=null;f&&(d=new XE,YE(d,a,j,-1));n=new XE;YE(n,o,c,0);var v;v=a.w;for(h=1;h<=o.w;++h)gC(a),a.b[a.w]=o.b[h],a.D[a.w]=o.D[h],a.q[a.w]=o.q[h],a.A[a.w]=o.A[h],a.M[a.w]=o.M[h],a.O[a.w]=o.O[h];for(h=1;h<=o.x;++h)qC(a),a.K[a.x]=o.K[h]+v,a.L[a.x]=o.L[h]+v,a.i[a.x]=o.i[h],a.E[a.x]=o.E[h];GB(a);ZE(n,a,g+1,a.w,j,e);if(f&&(f=$E(a,g+1,a.w),0<f)){for(h=1;h<=o.w;++h)a.M[g+h]=o.M[h],a.O[g+h]=o.O[h];\nZE(n,a,g+1,a.w,j,d);d=$E(a,g+1,a.w);if(!(d<=f)){for(h=1;h<=o.w;++h)a.M[g+h]=o.M[h],a.O[g+h]=o.O[h];ZE(n,a,g+1,a.w,j,e)}}qC(a);a.K[a.x]=j;a.L[a.x]=c+g;GB(a);b&&(HB(a,j),vA(a));c=o.w}}aF(a,c);a.G=a.I;b&&(a.G=0)}\nfunction WE(a,b,c,d){var e,f,g,j,h;e=a.J[b][1];f=a.J[b][2];g=a.M[f]-a.M[e];j=-(a.O[f]-a.O[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.O[b]-a.O[e])*g+(a.M[b]-a.M[e])*j?0-((a.O[b]-a.O[e])*g+(a.M[b]-a.M[e])*j):(a.O[b]-a.O[e])*g+(a.M[b]-a.M[e])*j)?(g=a.M[b]-a.M[e],j=a.O[b]-a.O[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.M[e]+h*g-c*j,d[1]=a.O[e]+c*g+h*j):(g=(a.M[e]+a.M[f])/2,e=(a.O[e]+a.O[f])/2,g=a.M[b]-g,j=a.O[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.M[b]+\nc*g/h,d[1]=a.O[b]+c*j/h)}\nfunction cC(a){var b,c,d,e,f,g,j,h,n,o,v,u,w;n=-1;j=6;switch(a.r.i){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=(a.r?25*a.r.J:25)*(a.r?25*a.r.J:25)/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.G)if(2>a.C[a.G])bF(a,j,f,h);else if(!a.r.pb&&!a.r.Wb)n=a.G,W(a,a.G,0),a.G=a.w,bF(a,j,f,h);else{a.r.Wb=!1;if(209==a.r.i||221==a.r.i||223==a.r.i){Mp(a.r,"ERROR - cannot add aromatic spiro ring !");a.r.W=\n9;return}for(d=1;d<=a.C[a.G];++d)if(b=a.i[VE(a,a.G,a.J[a.G][d])],2<d||1!=b){Mp(a.r,"ERROR - spiro ring not possible here !");a.r.W=9;return}b=V(2);WE(a,a.G,h,b);e=a.M[a.G]-b[0];g=a.O[a.G]-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)gC(a),v=f*d+1.5707963267948966,a.M[a.w]=b[0]+h*(Math.sin(v)*e-Math.cos(v)*g),a.O[a.w]=b[1]+h*(Math.cos(v)*e+Math.sin(v)*g)}else if(0<a.H){b=a.K[a.H];c=a.L[a.H];d=0;2==a.C[b]?a.J[b][1]!=c?d=a.J[b][1]:d=a.J[b][2]:2==a.C[c]&&(a.J[c][1]!=b?d=a.J[c][1]:\nd=a.J[c][2],o=b,b=c,c=o);0==d&&(a.J[b][1]!=c?d=a.J[b][1]:d=a.J[b][2]);e=a.M[c]-a.M[b];g=a.O[c]-a.O[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;v=o/2;w=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.O[d]-a.O[b])*e-(a.M[d]-a.M[b])*g&&(w=-w,o=0);u=a.M[b]+v*e-w*g;w=a.O[b]+w*e+v*g;for(d=1;d<=j;++d)gC(a),v=f*(d+0.5)+3.141592653589793*o,a.M[a.w]=u+h*(Math.sin(v)*e-Math.cos(v)*g),a.O[a.w]=w+h*(Math.cos(v)*e+Math.sin(v)*g),1==o?(d==j&&(a.M[a.w]=a.M[b],a.O[a.w]=a.O[b]),d==j-1&&(a.M[a.w]=a.M[c],a.O[a.w]=\na.O[c])):(d==j-1&&(a.M[a.w]=a.M[b],a.O[a.w]=a.O[b]),d==j&&(a.M[a.w]=a.M[c],a.O[a.w]=a.O[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)gC(a),v=f*(d-b),a.M[a.w]=a.N+h*Math.sin(v),a.O[a.w]=a.P+h*Math.cos(v)}b=j;h=0;for(f=1;f<=b;++f)qC(a),a.i[a.x]=1,h=a.w-b+f,a.C[h]=2,a.K[a.x]=h,a.L[a.x]=h+1;a.L[a.x]=a.w-b+1;if(209==a.r.i){if(a.i[a.x-4]=2,a.i[a.x-2]=2,a.i[a.x]=2,0<a.H)if(1==a.i[a.H]){if(b=0,1<a.C[a.K[a.H]]&&(b=a.J[a.K[a.H]][1],h=a.K[a.H],b==a.L[a.H]&&(b=a.J[a.K[a.H]][2])),0==b&&1<a.C[a.L[a.H]]&&(b=a.J[a.L[a.H]][1],\nh=a.L[a.H],b==a.L[a.H]&&(b=a.J[a.L[a.H]][2])),0<b)for(f=1;f<=a.x;++f)if(a.K[f]==b&&a.L[f]==h||a.K[f]==h&&a.L[f]==b){1!=a.i[f]&&(a.i[a.x-4]=1,a.i[a.x-2]=1,a.i[a.x]=1,a.i[a.x-5]=2,a.i[a.x-3]=2,a.i[a.x-1]=3);break}}else a.i[a.x-4]=1,a.i[a.x-2]=1,a.i[a.x]=1,a.i[a.x-5]=2,a.i[a.x-3]=2,a.i[a.x-1]=2}else if(221==a.r.i||223==a.r.i)if(0<a.H){if(1==a.i[a.H]){b=!1;for(f=1;f<=a.C[a.K[a.H]];++f)if(h=a.J[a.K[a.H]][f],1<a.i[VE(a,a.K[a.H],h)]){b=!0;break}for(f=1;f<=a.C[a.L[a.H]];++f)if(h=a.J[a.L[a.H]][f],1<a.i[VE(a,\na.L[a.H],h)]){b=!0;break}b||(a.i[a.H]=2)}a.i[a.x-4]=2;a.b[a.w-2]=5}else 0<a.G?221==a.r.i?(a.i[a.x-4]=1,a.i[a.x-2]=1,a.i[a.x-1]=1,a.i[a.x-3]=2,a.i[a.x]=2,a.b[a.w-1]=5):(a.i[a.x-3]=1,a.i[a.x-2]=1,a.i[a.x]=1,a.i[a.x-4]=2,a.i[a.x-1]=2,a.b[a.w-2]=5):(a.i[a.x-3]=1,a.i[a.x-2]=1,a.i[a.x]=1,a.i[a.x-4]=2,a.i[a.x-1]=2,a.b[a.w-2]=5);h=V(a.w+1);for(f=1;f<=j;++f)b=a.w-j+f,c=a.x-j+f,a.J[b][1]=b-1,a.J[b][2]=b+1,b=a.K[c],e=a.L[c],a.e[c]=K(J(R((a.M[b]+a.M[e])/2))),a.f[c]=K(J(R((a.O[b]+a.O[e])/2)));a.J[a.w-j+1][1]=\na.w;a.J[a.w][2]=a.w-j+1;for(f=a.w-j+1;f<=a.w;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.w-j;++b)e=a.M[f]-a.M[b],d=a.O[f]-a.O[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.G||c==a.G)&&(h[f]=c)}g=a.x-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.K[f],e=a.L[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.K[c]==h[b]&&a.L[c]==h[e]||a.L[c]==h[b]&&a.K[c]==h[e])continue a;qC(a);a.i[a.x]=a.i[f];a.K[a.x]=h[b];a.J[h[b]][++a.C[h[b]]]=h[e];a.L[a.x]=h[e];a.J[h[e]][++a.C[h[e]]]=h[b];a.e[a.x]=K(J(R((a.M[a.K[a.x]]+a.M[a.L[a.x]])/2)));a.f[a.x]=\nK(J(R((a.O[a.K[a.x]]+a.O[a.L[a.x]])/2)))}else 0<h[b]?(qC(a),a.i[a.x]=a.i[f],a.K[a.x]=h[b],a.J[h[b]][++a.C[h[b]]]=e,a.L[a.x]=e,a.J[e][++a.C[e]]=h[b],a.e[a.x]=K(J(R((a.M[a.K[a.x]]+a.M[a.L[a.x]])/2))),a.f[a.x]=K(J(R((a.O[a.K[a.x]]+a.O[a.L[a.x]])/2)))):0<h[e]&&(qC(a),a.i[a.x]=a.i[f],a.K[a.x]=h[e],a.J[h[e]][++a.C[h[e]]]=b,a.L[a.x]=b,a.J[b][++a.C[b]]=h[e],a.e[a.x]=K(J(R((a.M[a.K[a.x]]+a.M[a.L[a.x]])/2))),a.f[a.x]=K(J(R((a.O[a.K[a.x]]+a.O[a.L[a.x]])/2))));d=a.w-j;for(f=a.w;f>d;--f)if(0<h[f]&&(HB(a,f),3==\na.b[h[f]])){o=0;for(b=1;b<=a.C[h[f]];++b){e=a.J[h[f]][b];for(c=1;c<=a.x;++c)(a.K[c]==h[f]&&a.L[c]==e||a.K[c]==e&&a.L[c]==h[f])&&(o+=a.i[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.i[c]=1}0<a.G&&aF(a,j);-1<n&&(a.G=n)}\nfunction bF(a,b,c,d){var e,f,g,j,h,n;0==a.C[a.G]?(e=0,f=1):(e=a.J[a.G][1],f=a.M[a.G]-a.M[e],e=a.O[a.G]-a.O[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.M[a.G]+d*f;n=a.O[a.G]+d*e;for(g=1;g<=b;++g)gC(a),j=c*g-1.5707963267948966,a.M[a.w]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.O[a.w]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function aF(a,b){var c,d;0==b&&(b=a.w);for(c=a.w;c>a.w-b;--c)d=jC(a,c,1,a.w),0!=d&&(a.M[c]+=6,a.O[c]+=6)}\nfunction VE(a,b,c){var d;for(d=1;d<=a.x;++d)if(a.K[d]==b&&a.L[d]==c||a.K[d]==c&&a.L[d]==b)return d;return 0}function cF(a,b,c){var d,e,f,g;e=ch;for(f=g=0;;){++g;for(d=1;d<=a.w;++d)if(Sr(c[d])){e=c[d];break}for(d=1;d<=a.w;++d)Sr(c[d])&&!Ir(c[d],e)&&(e=c[d]);for(d=1;d<=a.w;++d)Mr(c[d],e)&&(b[d]=g,c[d]=ch,++f);if(f==a.w)break}return g==a.w}\nfunction vA(a){var b,c,d;d=c=0;a.r&&(c=a.r,b=uA(c),b.b/=c.J,b.a/=c.J,c=b.b,d=b.a);if(0>=c||0>=d)a.z=!0;else{b=tA(a);c=c/2-b.a;d=d/2-b.b;if(!a.r.zb)for(b=1;b<=a.w;++b)a.M[b]+=c,a.O[b]+=d;wA(a)}}\nfunction $B(a,b,c){var d;if(1==c)++a.D[b];else if(-1==c)--a.D[b];else switch(d=dF(a,b),-1==d&&0==c&&(0==a.D[b]?a.D[b]=1:1==a.D[b]?a.D[b]=-1:-1==a.D[b]&&(a.D[b]=0)),a.b[b]){case 2:2<d&&Mp(a.r,"Charge change not possible on this boron !");0==a.D[b]?a.D[b]=1:1==a.D[b]&&(a.D[b]=0);break;case 3:3<d?Mp(a.r,"Charge change not possible on this carbon !"):4>d&&(0==a.D[b]?a.D[b]=-1:-1==a.D[b]?a.D[b]=1:1==a.D[b]&&(a.D[b]=0));break;case 4:case 7:3<d?Mp(a.r,"Charge change not possible on multibonded N or P !"):\n3==d&&0==a.D[b]?a.D[b]=1:3==d&&1==a.D[b]?a.D[b]=0:3>d&&0==a.D[b]?a.D[b]=1:3>d&&1==a.D[b]?a.D[b]=-1:3>d&&-1==a.D[b]&&(a.D[b]=0);break;case 5:case 8:case 13:2<d?Mp(a.r,"Charge change not possible on multibonded O or S !"):2==d&&0==a.D[b]?a.D[b]=1:2==d&&1==a.D[b]?a.D[b]=0:2>d&&0==a.D[b]?a.D[b]=-1:2>d&&-1==a.D[b]?a.D[b]=1:2>d&&1==a.D[b]&&(a.D[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.D[b]?a.D[b]=-1:0==d&&-1==a.D[b]?a.D[b]=0:Mp(a.r,"Charge change not possible on the halogen !");break;case 18:Mp(a.r,\n"Use X button to change charge on the X atom !")}}function vB(a,b){var c,d,e,f,g;f=0;g=!1;for(a.a=V(a.w+1);;){for(e=1;e<=a.w;++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.x;++e)c=a.K[e],d=a.L[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=V(f+1);for(c=1;c<=a.w;++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.w;1<=c;--c)a.a[c]!=d&&HB(a,c);vA(a);Mp(a.r,"Smaller part(s) removed !");return 1}\nfunction jC(a,b,c,d){var e,f,g,j;g=51;for(j=0;c<d;++c)b!=c&&(e=a.M[b]-a.M[c],f=a.O[b]-a.O[c],e=e*e+f*f,50>e&&e<g&&(g=e,j=c));return j}\nfunction rC(a){var b,c,d;for(d=1;d<=a.x;++d){b=a.K[d];c=a.L[d];if(1==a.D[b]&&-1==a.D[c]||-1==a.D[b]&&1==a.D[c])if(1==a.i[d]||2==a.i[d]){if(3!=a.b[b]&&3!=a.b[c]&&a.r.Hb)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.D[b]=0;a.D[c]=0;++a.i[d];KB(a)}1==a.D[b]&&1==a.D[c]&&(2==a.i[d]?a.i[d]=1:3==a.i[d]&&(a.i[d]=2),KB(a));4==a.i[d]&&(a.i[d]=1)}}\nfunction UE(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 GB(a){var b;eF(a);b=a.i.length;a.e=V(b);a.f=V(b);wA(a);KB(a)}\nfunction tA(a){var b,c,d,e,f,g;b=new OE;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.w;++c)a.M[c]<f&&(f=a.M[c]),a.M[c]>d&&(d=a.M[c]),a.O[c]<g&&(g=a.O[c]),a.O[c]>e&&(e=a.O[c]);b.a=f+(d-f)/2;b.b=g+(e-g)/2;b.c=d-f;b.d=e-g;25>b.c&&(b.c=25);25>b.d&&(b.d=25);return b}function $E(a,b,c){var d,e;e=0;for(d=1;d<a.w;++d)d>=b&&d<=c||0!=jC(a,d,b,c)&&++e;return e}function gC(a){++a.w;a.J[a.w]=V(7);a.b[a.w]=3;a.D[a.w]=0;a.d[a.w]=0;a.c[a.w]=null;a.A[a.w]=0;a.q[a.w]=0}\nfunction hB(a,b,c,d,e,f){var g;g=a.M[b]-c/2;f||(g-=d-c);a=a.O[b]-~~(e/2);return new fF(g-1-2,a-2,d+1+4,e+4)}function qC(a){++a.x;a.i[a.x]=1;a.E[a.x]=0;a.j[a.x]=null}\nfunction QB(a,b){var c,d,e,f,g,j,h;if(0==a.w)return l;h=b;79<b.length&&(h=b.substr(0,76)+Va);h+=(Wz(),aa);h+=Lb+new SB+ba;h+=PB(a.w,3)+PB(a.x,3);h+="  0  0  0  0  0  0  0  0999 V2000\\n";j=-1.7976931348623157E308;c=1.7976931348623157E308;for(g=1;g<=a.w;++g)a.O[g]>j&&(j=a.O[g]),a.M[g]<c&&(c=a.M[g]);for(g=1;g<=a.w;++g){h+=TB(0.055999999999999994*(a.M[g]-c),10,4)+TB(0.055999999999999994*(j-a.O[g]),10,4)+TB(0,10,4);f=gB(a,g);1==f.length?f+="  ":2==f.length?f+=m:3<f.length&&(f="Q  ");h+=m+f;d=0;0<a.D[g]&&\n4>a.D[g]?d=4-a.D[g]:0>a.D[g]&&-4<a.D[g]&&(d=4-a.D[g]);f=0;0!=a.q[g]&&(e=KE(gB(a,g),a.q[g]),-3<=e&&4>=e&&(f=e));f=PB(f,2)+PB(d,3)+"  0  0  0  0  0  0  0";e=-1;for(d=1;d<=a.B;++d)if(a.u[d][0]==g){e=a.u[d][1];break}-1==e&&a.r.Xb&&0<a.d[g]&&(e=1);-1<e?f+=PB(e,3):f+="  0";h+=f+"  0  0\\n"}for(g=1;g<=a.x;++g)j=a.i[g],1==a.i[g]?j=1:UB(a,g)&&(j=2),c=PB(a.K[g],3)+PB(a.L[g],3),d=0,1==a.i[g]&&1==a.E[g]?d=1:1==a.i[g]&&2==a.E[g]&&(d=6),1==a.i[g]&&3==a.E[g]&&(d=1,c=PB(a.L[g],3)+PB(a.K[g],3)),1==a.i[g]&&4==a.E[g]&&\n(d=6,c=PB(a.L[g],3)+PB(a.K[g],3)),h+=c+PB(j,3)+PB(d,3)+"  0  0  0\\n";for(g=1;g<=a.w;++g)0!=a.D[g]&&(h+="M  CHG  1"+PB(g,4)+PB(a.D[g],4)+aa),0!=a.q[g]&&(h+="M  ISO  1"+PB(g,4)+PB(a.q[g],4)+aa);return h+=Ob}\nfunction yC(a){var b,c,d,e,f,g,j,h,n,o,v,u,w,A,E,C,M,sa,P,la,oa,vc,Jc,Ig,Fb,Ud,Vd,Gf,ob,Kc;v=V(a.w+10);u=V(a.w+10);n=V(a.w+1);o=V(7);Fb=V(a.w+1);A=[];E=[];vc=0;if(0==a.w)return l;vB(a,!0);Ig=!0;for(h=1;h<=a.x;++h)if(9==a.i[h]){Ig=!1;break}if(a.r.z&&Ig){gF(a);rC(a);hF(a,E);iF(a,A,E);var Qb,xd,Hf,jc,Le,yd,zd,Lc,ad,Jg,DI,Wd,y,Ba,pn,qn,Zs,If,Ma,rn,sn,Mc,tn;Qb=V(a.w+1);xd=V(a.w+1);Lc=V(a.w+1);var $s=a.w,un,Oh,at,Kg,lk,Me,Jf;lk=V($s+2);Me=V(100);Jf=5;Kg=0;Me[0]=3;lk[1]=eh;lk[2]=fh;at=2;if(!(3>$s))for(;Jf<\nMe[Kg]*Me[Kg];){Oh=0;for(un=!0;un&&Oh<=Kg&&Jf>=Me[Oh]*Me[Oh];)0==Jf%Me[Oh]?un=!1:++Oh;if(un){lk[++at]=Pr(Jf);if(at>=$s)break;Kg<Me.length-1&&(++Kg,Me[Kg]=Jf)}Jf+=2}for(y=1;y<=a.w;++y){for(Ba=sn=1;Ba<=a.x;++Ba)(a.K[Ba]==y||a.L[Ba]==y)&&(sn*=a.k[Ba]);rn=a.b[y];18==rn&&(tn=a.s[y],yd=tn.charCodeAt(0)-65+1,zd=0,1<tn.length&&(zd=tn.charCodeAt(1)-97),0>yd&&(yd=0),0>zd&&(zd=0),rn=28*yd+zd);If=0;0!=a.D[y]&&(-2>a.D[y]?If=1:-2==a.D[y]?If=2:-1==a.D[y]?If=3:1==a.D[y]?If=4:2==a.D[y]?If=5:2<a.D[y]&&(If=6));Jg=0;\n0!=a.q[y]&&(Jg=KE(gB(a,y),a.q[y]),0>Jg&&(Jg=10-Jg));Mc=126;ad=sn;ad+=126*a.A[y];Mc*=7;ad+=If*Mc;Mc*=7;0!=Jg&&(ad+=Jg*Mc);Mc*=7;ad+=rn*Mc;Mc*=783;ad+=a.C[y]*Mc;Lc[y]=Pr(ad)}for(Le=0;!cF(a,Qb,Lc);){Zs=!1;for(y=1;y<=a.w;++y)Qb[y]!=xd[y]&&(xd[y]=Qb[y],Zs=!0);if(Zs){for(y=1;y<=a.w;++y){Lc[y]=dh;for(Ba=1;Ba<=a.C[y];++Ba)Lc[y]=Tr(Lc[y],lk[Qb[a.J[y][Ba]]])}Le=0}else if(0<Le){for(y=1;y<=a.w;++y)Lc[y]=dh;y=1;a:for(;y<=a.w-1;++y)for(Ba=y+1;Ba<=a.w;++Ba)if(Qb[y]==Qb[Ba]){Lc[y]=eh;break a}}else{for(y=1;y<=a.w;++y){Lc[y]=\ndh;for(Ba=1;Ba<=a.C[y];++Ba)Hf=a.J[y][Ba],Lc[y]=Tr(Lc[y],Pr(a.b[Hf]*a.k[VE(a,y,Hf)]))}Le=1}cF(a,Qb,Lc);for(y=1;y<=a.w;++y)Lc[y]=Pr(xd[y]*a.w+Qb[y])}for(y=1;y<=a.w;++y)xd[y]=Qb[y];for(Ma=1;Ma<=a.w;++Ma)for(y=1;y<=a.w;++y)if(xd[y]==Ma){a.b[0]=a.b[y];a.D[0]=a.D[y];a.q[0]=a.q[y];a.M[0]=a.M[y];a.O[0]=a.O[y];a.C[0]=a.C[y];a.b[y]=a.b[Ma];a.D[y]=a.D[Ma];a.q[y]=a.q[Ma];a.M[y]=a.M[Ma];a.O[y]=a.O[Ma];a.C[y]=a.C[Ma];a.b[Ma]=a.b[0];a.D[Ma]=a.D[0];a.q[Ma]=a.q[0];a.M[Ma]=a.M[0];a.O[Ma]=a.O[0];a.C[Ma]=a.C[0];xd[y]=\nxd[Ma];xd[Ma]=Ma;a.s[0]=a.s[y];a.s[y]=a.s[Ma];a.s[Ma]=a.s[0];a.d[0]=a.d[y];a.d[y]=a.d[Ma];a.d[Ma]=a.d[0];a.c[0]=a.c[y];a.c[y]=a.c[Ma];a.c[Ma]=a.c[0];a.A[0]=a.A[y];a.A[y]=a.A[Ma];a.A[Ma]=a.A[0];break}for(y=1;y<=a.B;++y)a.u[y][0]=Qb[a.u[y][0]];for(y=1;y<=a.x;++y)a.K[y]=Qb[a.K[y]],a.L[y]=Qb[a.L[y]],a.K[y]>a.L[y]&&(Wd=a.K[y],a.K[y]=a.L[y],a.L[y]=Wd,1==a.E[y]?a.E[y]=3:2==a.E[y]?a.E[y]=4:3==a.E[y]?a.E[y]=1:4==a.E[y]&&(a.E[y]=2));for(y=1;y<a.x;++y){qn=pn=a.w;jc=0;for(Ba=y;Ba<=a.x;++Ba)a.K[Ba]<pn?(pn=a.K[Ba],\nqn=a.L[Ba],jc=Ba):a.K[Ba]==pn&&a.L[Ba]<qn&&(qn=a.L[Ba],jc=Ba);Wd=a.K[y];a.K[y]=a.K[jc];a.K[jc]=Wd;Wd=a.L[y];a.L[y]=a.L[jc];a.L[jc]=Wd;Wd=a.i[y];a.i[y]=a.i[jc];a.i[jc]=Wd;Wd=a.E[y];a.E[y]=a.E[jc];a.E[jc]=Wd;DI=a.j[y];a.j[y]=a.j[jc];a.j[jc]=DI}GB(a);KB(a);hF(a,E);iF(a,A,E)}else{hF(a,E);a.k=V(a.x+1);for(w=1;w<=a.x;++w)a.k[w]=a.i[w]}c=1;a.a=V(a.w+1);Kc=1;a.a[1]=1;for(la=0;;){oa=0;for(w=1;w<=a.C[c];++w)if(g=a.J[c][w],0<a.a[g]){if(!(a.a[g]>a.a[c])&&g!=Fb[c]){Jc=!0;for(M=1;M<=vc;++M)if(v[M]==c&&u[M]==g||\nv[M]==g&&u[M]==c){Jc=!1;break}Jc&&(++vc,v[vc]=c,u[vc]=g)}}else o[++oa]=g;if(0==oa){if(Kc==a.w)break;c=n[la--]}else if(1==oa)Fb[o[1]]=c,c=o[1],a.a[c]=++Kc;else{n[++la]=c;e=0;for(w=1;w<=oa;++w)if(h=VE(a,o[w],c),!E[h]){e=o[w];break}if(0==e)for(w=1;w<=oa;++w)if(h=VE(a,o[w],c),2==a.k[h]||3==a.k[h]){e=o[w];break}0==e&&(e=o[1]);Fb[e]=c;c=e;a.a[e]=++Kc}}Fb=V(a.w+1);b=V(a.w+1);sa=[];Ud=[];f=Kc=la=0;for(w=1;w<=a.w;++w)if(1==a.a[w]){c=w;break}a:for(;;){0<f&&(Fb[c]=f);b[++Kc]=c;for(a.a[c]=0;;){oa=e=0;P=a.w+1;\nw=1;b:for(;w<=a.C[c];++w){g=a.J[c][w];for(C=1;C<=vc;++C)if(v[C]==g&&u[C]==c||v[C]==c&&u[C]==g)continue b;0<a.a[g]&&(++oa,a.a[g]<P&&(e=g,P=a.a[g]))}if(0==e){if(0==la)break a;Ud[c]=!0;c=n[la--]}else break}f=c;c=e;1<oa&&(n[++la]=f,sa[e]=!0)}Vd=V(a.x+1);Gf=V(a.w+1);if(a.r.Yb){var EI=Fb,FP=vc,bt,FI,Ph,Ne,ct,dt,Na,mk,et;Ph=V(a.w+1);for(Na=1;Na<=a.w;++Na)Ph[b[Na]]=Na;ct=[];for(Na=1;Na<=a.w;++Na)bt=b[Na],FI=EI[bt],Ne=VE(a,bt,FI),0!=Ne&&(jF(a,Ne,Ph,Vd,E),ct[Ne]=!0);for(Na=1;Na<=a.x;++Na)ct[Na]||jF(a,Na,Ph,\nVd,E);Na=1;a:for(;Na<=a.w;++Na)if(!(2>a.C[Na]||4<a.C[Na])){dt=et=0;for(mk=1;mk<=a.C[Na];++mk){Ne=VE(a,Na,a.J[Na][mk]);if(5==a.k[Ne])continue a;1==a.i[Ne]&&0!=kF(a,Ne,Na)&&++et;2==a.i[Ne]&&(dt=a.J[Na][mk])}if(0!=et)if(0<dt){var ja=a,Kf=Ph,bd=Gf,wc=void 0,nk=void 0,Nc=void 0,Oe=void 0,Oc=void 0,vn=void 0,wn=void 0,xn=void 0,Xd=void 0,cd=void 0,dd=void 0,ft=void 0,ok=void 0,Yd=void 0,pk=void 0,Pe=void 0,qk=void 0,gt=void 0,rk=void 0,Qe=void 0,HI=void 0,Lf=void 0,II=void 0,ht=void 0,sk=void 0,Mf=void 0,\ndd=1,nk=Na,wc=V(ja.w+1);for(wc[1]=Na;;){ft=!1;for(cd=1;cd<=ja.C[nk];++cd)if(Nc=ja.J[nk][cd],!(Nc==wc[1]||Nc==wc[dd-1]))if(Oe=VE(ja,nk,Nc),2==ja.i[Oe]&&5!=ja.k[Oe]){nk=wc[++dd]=Nc;ft=!0;break}if(!ft)break}if(!(0==dd%2||2>ja.C[wc[dd]]||3<ja.C[wc[dd]])){Mf=wc[1];Oc=wc[~~((dd+1)/2)];Xd=wc[dd];Lf=Qe=Pe=Yd=0;ht=gt=!1;for(cd=1;cd<=ja.C[Mf];++cd)Nc=ja.J[Mf][cd],Oe=VE(ja,Mf,Nc),1!=ja.i[Oe]||5==ja.k[Oe]||(0==Yd?Yd=Nc:Pe=Nc);0<Kf[Pe]&&Kf[Yd]>Kf[Pe]&&(vn=Yd,Yd=Pe,Pe=vn);ok=Yd;0==Yd&&(ok=Pe,gt=!0);for(cd=1;cd<=\nja.C[Xd];++cd)Nc=ja.J[Xd][cd],Oe=VE(ja,Xd,Nc),1!=ja.i[Oe]||5==ja.k[Oe]||(0==Qe?Qe=Nc:Lf=Nc);0<Kf[Lf]&&Kf[Qe]>Kf[Lf]&&(vn=Qe,Qe=Lf,Lf=vn);rk=Qe;0==Qe&&(rk=Lf,ht=!0);pk=kF(ja,VE(ja,Mf,Yd),Mf);qk=kF(ja,VE(ja,Mf,Pe),Mf);HI=kF(ja,VE(ja,Xd,Qe),Xd);II=kF(ja,VE(ja,Xd,Lf),Xd);1<(0>pk+qk?-(pk+qk):pk+qk)||0!=HI||0!=II?Mp(ja.r,"Bad stereoinfo on allene !"):(wn=ja.M[wc[dd-1]]-ja.M[Xd],xn=ja.O[wc[dd-1]]-ja.O[Xd],sk=Math.sqrt(wn*wn+xn*xn),0.001>sk&&(sk=0.001),0<(ja.O[rk]-ja.O[wc[dd-1]])*(wn/sk)-(ja.M[rk]-ja.M[wc[dd-\n1]])*(xn/sk)?bd[Oc]=1:bd[Oc]=-1,gt&&(bd[Oc]*=-1),ht&&(bd[Oc]*=-1),ok==Yd&&0>pk&&(bd[Oc]*=-1),ok==Pe&&0>qk&&(bd[Oc]*=-1),Kf[ok]>Kf[rk]&&(bd[Oc]*=-1))}}else b:{var zb=a,db=Na,it=EI,JI=Ph,KI=v,LI=u,GP=FP,yn=Gf,zn=void 0,ed=void 0,jt=void 0,Qh=void 0,Ga=void 0,Rh=void 0,Ad=void 0,tk=void 0,Zd=void 0,Zb=void 0,ia=void 0,ea=void 0,Re=void 0,An=void 0,fd=void 0,H=void 0,Bn=void 0,ea=V(4),An=V(4),uk=void 0,gd=void 0,Cn=void 0,Dn=void 0,kt=void 0,vk=void 0,vk=-1;0<it[db]&&(ea[++vk]=it[db]);for(gd=1;gd<=GP;++gd)KI[gd]==\ndb&&(ea[++vk]=LI[gd]),LI[gd]==db&&(ea[++vk]=KI[gd]);for(gd=vk+1;gd<zb.C[db];++gd){kt=zb.w+1;Cn=1;c:for(;Cn<=zb.C[db];++Cn){uk=zb.J[db][Cn];for(Dn=0;Dn<gd;++Dn)if(uk==ea[Dn])continue c;JI[uk]<kt&&(kt=JI[uk],ea[gd]=uk)}}0==it[db]&&0<zb.A[db]?(ea[3]=ea[2],ea[2]=ea[1],ea[1]=ea[0],ea[0]=-1):0<zb.A[db]&&(ea[3]=ea[2],ea[2]=ea[1],ea[1]=-1);for(Ga=tk=Rh=Qh=Bn=Ad=Zb=0;4>Ga;++Ga)0>=ea[Ga]||(zn=VE(zb,db,ea[Ga]),An[Ga]=kF(zb,zn,db),0<An[Ga]?(++Zb,Bn=ea[Ga],Rh=ea[Ga]):0>An[Ga]?(++Ad,Qh=ea[Ga],Rh=ea[Ga]):tk=ea[Ga]);\nZd=Zb+Ad;H=V(4);fd=0;if(3==zb.C[db]){if(1==Zb&&1==Ad||3==Zd&&0<Zb&&0<Ad){Mp(zb.r,"Error in C3H stereospecification !");break b}Re=ea[0];1==Zd?Re=Rh:2==Zd&&(Re=tk);ia=TE(zb,db,Re,ea);H[0]=Rh;H[1]=-1;H[2]=ia[2];H[3]=ia[1];0<Zb?fd=1:fd=-1}else if(4==zb.C[db])if(1==Zd)ia=TE(zb,db,Rh,ea),H[0]=ia[0],H[1]=ia[3],H[2]=ia[2],H[3]=ia[1],0<Zb?fd=1:fd=-1;else{Re=ea[0];1<tk&&(Re=tk);1==Zb?Re=Bn:1==Ad&&(Re=Qh);ia=TE(zb,db,Re,ea);ed=V(4);for(Ga=0;4>Ga;++Ga)zn=VE(zb,db,ia[Ga]),ed[Ga]=kF(zb,zn,db);if(4==Zd){if(0==\nZb||0==Ad){Mp(zb.r,"Error in C4 stereospecification !");break b}if(1==Zb||1==Ad)H[0]=ia[0],H[1]=ia[3],H[2]=ia[2],H[3]=ia[1],fd=ed[0];else{for(Ga=0;4>Ga;++Ga)-1==ed[Ga]&&(ed[Ga]=0);Zd=2}}else if(3==Zd)if(3==Zb||3==Ad)H[0]=ia[0],H[1]=ia[3],H[2]=ia[2],H[3]=ia[1],0<Zb?fd=-1:fd=1;else{1==Zb?Zb=jt=1:Ad=jt=-1;for(Ga=0;4>Ga;++Ga)ed[Ga]==jt&&(ed[Ga]=0);Zd=2}if(2==Zd)if(1==Zb&&1==Ad)ia[1]==Qh?(ia[1]=ia[2],ia[2]=ia[3]):ia[2]==Qh&&(ia[2]=ia[3]),H[0]=Bn,H[1]=Qh,H[2]=ia[2],H[3]=ia[1],fd=1;else{if(ed[0]==ed[1]||\ned[1]==ed[2]){Mp(zb.r,"Error in C4 stereospecification ! 2/0r");break b}0!=ed[0]?(H[0]=ia[0],H[1]=ia[2],H[2]=ia[1],H[3]=ia[3]):(H[0]=ia[1],H[1]=ia[3],H[2]=ia[2],H[3]=ia[0]);1<Zb?fd=1:fd=-1}}var pb=void 0;ea[0]==H[1]?(pb=H[0],H[0]=H[1],H[1]=pb,pb=H[2],H[2]=H[3],H[3]=pb):ea[0]==H[2]?(pb=H[2],H[2]=H[0],H[0]=pb,pb=H[1],H[1]=H[3],H[3]=pb):ea[0]==H[3]&&(pb=H[3],H[3]=H[0],H[0]=pb,pb=H[1],H[1]=H[2],H[2]=pb);ea[1]==H[2]?(pb=H[1],H[1]=H[2],H[2]=pb,pb=H[2],H[2]=H[3],H[3]=pb):ea[1]==H[3]&&(pb=H[1],H[1]=H[3],\nH[3]=pb,pb=H[2],H[2]=H[3],H[3]=pb);H[2]==ea[2]?yn[db]=1:H[2]==ea[3]?yn[db]=-1:Mp(zb.r,"Error in stereoprocessing ! - t30");yn[db]*=fd}}}ob=new kE;j=V(a.w+1);for(w=1;w<=a.w;++w)j[b[w]]=w;for(w=1;w<=a.w;++w){c=b[w];sa[c]&&Hl(ob.a,ra);0<Fb[w]&&lF(a,c,Fb[c],ob,Vd);var eb=a,fb=c,HP=ob,Sh=A[c],lt=Gf,xc=void 0,wk=void 0,Mg=void 0,U=void 0,U=kc,xc=!1;(0!=eb.D[fb]||0!=eb.q[fb])&&(xc=!0);0!=lt[fb]&&(xc=!0);Mg=-999999999;for(wk=1;wk<=eb.B;++wk)if(eb.u[wk][0]==fb){Mg=eb.u[wk][1];break}-999999999!=Mg&&(xc=!0);\neb.r.Xb&&0<eb.d[fb]&&(xc=!0,Mg=1);switch(eb.b[fb]){case 2:U=ub;break;case 3:Sh?U="c":U=wb;break;case 4:Sh?(U=$e,0<eb.A[fb]&&(xc=!0)):U=Sb;break;case 5:Sh?U="o":U=Wb;break;case 7:Sh?(U="p",0<eb.A[fb]&&(xc=!0)):U=Xb;break;case 8:Sh?U=bg:U=ac;break;case 13:Sh?U=fg:U=dc;xc=!0;break;case 6:U=ec;xc=!0;break;case 9:U=Eb;break;case 10:U=Ab;break;case 11:U=vb;break;case 12:U=Jb;break;case 1:U=Hb;xc=!0;break;case 18:xc=!0,U=eb.s[fb],-999999999==Mg&&(G(U,ua)||G(U,sc)||G(U,tb))&&(xc=!1)}19<=eb.b[fb]&&28>=eb.b[fb]&&\n(xc=!0,U=(Wz(),bA)[eb.b[fb]]);xc&&(0!=eb.q[fb]?U=lc+eb.q[fb]+U:U=lc+U,1==lt[fb]?U+=sb:-1==lt[fb]&&(U+="@@"),1==eb.A[fb]?U+=Hb:1<eb.A[fb]&&(U+=Hb+eb.A[fb]),0!=eb.D[fb]&&(0<eb.D[fb]?U+=va:U+=ya,1<iB(eb.D[fb])&&(U+=iB(eb.D[fb]))),-999999999!=Mg&&(U+=hb+Mg),U+=pc);Hl(HP.a,U);for(C=1;C<=vc;++C)if(v[C]==c||u[C]==c)d=u[C],d==c&&(d=v[C]),j[c]<j[d]&&lF(a,v[C],u[C],ob,Vd),9<C&&Hl(ob.a,"%"),Il(ob,l+(new N(C)).a);Ud[c]&&Hl(ob.a,ta)}return Xm(ob.a)}function xC(a){a=new kA(a);GB(a);return a}\nfunction HB(a,b){var c,d,e,f;f=0;for(e=1;e<=a.x;++e)c=a.K[e],d=a.L[e],c!=b&&d!=b&&(++f,a.K[f]=c,c>b&&--a.K[f],a.L[f]=d,d>b&&--a.L[f],a.i[f]=a.i[e],a.E[f]=a.E[e],a.e[f]=a.e[e],a.f[f]=a.f[e],a.j[f]=a.j[e]);a.x=f;for(e=b;e<a.w;++e){a.b[e]=a.b[e+1];a.D[e]=a.D[e+1];a.q[e]=a.q[e+1];a.M[e]=a.M[e+1];a.O[e]=a.O[e+1];a.A[e]=a.A[e+1];a.d[e]=a.d[e+1];a.c[e]=a.c[e+1];a.C[e]=a.C[e+1];a.s[e]=a.s[e+1];for(f=1;f<=a.C[e];++f)a.J[e][f]=a.J[e+1][f]}--a.w;if(0==a.w)xA(a.r);else{for(e=1;e<=a.w;++e){d=0;for(f=1;f<=a.C[e];++f)c=\na.J[e][f],c==b?++a.A[e]:(c>b&&--c,a.J[e][++d]=c);a.C[e]=d}e=1;a:for(;e<=a.B;++e)if(a.u[e][0]==b){for(f=e;f<a.B;++f)a.u[f][0]=a.u[f+1][0],a.u[f][1]=a.u[f+1][1];--a.B;break a}for(e=1;e<=a.B;++e)a.u[e][0]>b&&--a.u[e][0]}}\nfunction JB(a,b){var c,d,e,f;c=a.K[b];d=a.L[b];for(e=b;e<a.x;++e)a.K[e]=a.K[e+1],a.L[e]=a.L[e+1],a.i[e]=a.i[e+1],a.E[e]=a.E[e+1],a.e[e]=a.e[e+1],a.f[e]=a.f[e+1],a.j[e]=a.j[e+1];--a.x;f=0;for(e=1;e<=a.C[c];++e)a.J[c][e]!=d&&(a.J[c][++f]=a.J[c][e]);a.C[c]=f;f=0;for(e=1;e<=a.C[d];++e)a.J[d][e]!=c&&(a.J[d][++f]=a.J[d][e]);a.C[d]=f;c<d&&(f=c,c=d,d=f);0==a.C[c]&&HB(a,c);0==a.C[d]&&HB(a,d)}\nfunction gF(a){var b,c,d;if(!a.r||!a.r.V){c=a.w;a:for(;1<=c;--c)if(d=a.J[c][1],!(a.r&&a.r.Pb&&3!=a.b[d])&&1==a.b[c]&&1==a.C[c]&&0==a.D[c]&&1!=a.b[d]&&18>a.b[d]&&0==a.q[c]){for(b=1;b<=a.B;++b)if(a.u[b][0]==c)continue a;b=VE(a,c,d);1==a.i[b]&&(0==a.E[b]||!a.r.Yb)&&HB(a,c)}}}function eF(a){var b;b=a.b.length;a.J=JE(b,7);a.C=V(b);for(b=1;b<=a.w;++b)a.C[b]=0;for(b=1;b<=a.x;++b)6>a.C[a.K[b]]&&(a.J[a.K[b]][++a.C[a.K[b]]]=a.L[b]),6>a.C[a.L[b]]&&(a.J[a.L[b]][++a.C[a.L[b]]]=a.K[b])}\nfunction iF(a,b,c){var d,e,f,g,j,h,n,o,v;a.k=V(a.x+1);v=[];for(h=1;h<=a.w;++h){v[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.C[h];++d)if(c[VE(a,h,a.J[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.C[h]+a.A[h]))switch(a.b[h]){case 3:case 4:case 7:case 5:case 8:case 13:v[h]=!0;break;case 18:0==a.s[h].indexOf(tb)?v[h]=!1:v[h]=!0}}if(a.p){var u;d=[];e=!1;for(h=1;h<=a.x;++h)f=a.K[h],g=a.L[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.x;++h)if(c[h]){f=a.K[h];g=a.L[h];e=[];for(n=1;n<=a.C[f];++n)j=\na.J[f][n],j!=g&&d[j]&&(e[j]=!0);for(u=!1;;){for(n=1;n<=a.w;++n){u=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.C[n];++o){j=a.J[n][o];if(j==g){for(f=1;f<=a.w;++f)e[f]&&(5==a.b[f]&&(a.b[f]=18,a.s[f]="#8"),4==a.b[f]&&(a.b[f]=18,a.s[f]="#7"),8==a.b[f]&&(a.b[f]=18,a.s[f]="#16"));continue a}!e[j]&&d[j]&&(u=e[j]=!0)}if(u)break}if(!u)break}}}}for(j=1;j<=a.x;++j)1==a.i[j]?a.k[j]=1:UB(a,j)?a.k[j]=2:3==a.i[j]&&(a.k[j]=3);j=1;a:for(;j<=a.x;++j)if(c[j]&&(f=a.K[j],g=a.L[j],v[f]&&v[g])){d=[];for(h=1;h<=a.C[f];++h)e=a.J[f][h],\ne!=g&&v[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.w;++h){o=!1;if(d[h]&&v[h]&&h!=f)for(n=1;n<=a.C[h];++n){e=a.J[h][n];if(e==g){b[f]=!0;b[g]=!0;a.k[j]=5;continue a}!d[e]&&v[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function wA(a){var b,c,d;for(b=1;b<=a.x;++b)c=a.K[b],d=a.L[b],a.e[b]=K(J(R((a.M[c]+a.M[d])/2))),a.f[b]=K(J(R((a.O[c]+a.O[d])/2)))}function hF(a,b){var c;for(c=1;c<=a.x;++c)kB(a,a.K[c],a.L[c])?b[c]=!1:b[c]=!0}function gB(a,b){var c;c=(Wz(),bA)[a.b[b]];18==a.b[b]&&(c=a.s[b]);return c}\nfunction UB(a,b){return 2==a.i[b]?!0:!1}function kB(a,b,c){var d,e,f,g,j,h,n;f=a.J;j=a.C;n=1;a.a=V(a.w+1);for(e=a.a[b]=1;e<=j[b];++e)d=f[b][e],d!=c&&(a.a[d]=++n);for(h=!1;;){for(d=1;d<=a.w;++d){h=!1;if(0<a.a[d]&&d!=b)for(g=1;g<=j[d];++g)e=f[d][g],0==a.a[e]&&(a.a[e]=++n,h=!0);if(h)break}if(!h)break}return 0==a.a[c]}\nfunction eC(a,b){var c,d;a.r.Z=!0;if(a.r.Xb){a.o=-1;if(0==a.d[a.G])return a.d[a.G]=4,!0;a.d[a.G]=0;return!1}for(c=1;c<=a.B;++c)if(a.G==a.u[c][0]){if(-1==a.r.F){for(;c<a.B;++c)a.u[c][0]=a.u[c+1][0],a.u[c][1]=a.u[c+1][1];--a.B}else d=a.r.F,!b&&a.r.x&&(a.r.pb||++a.v,d=a.v),a.u[c][1]=d;return!0}++a.B;a.B>a.u.length-1&&a.u.push([0,0]);a.u[a.B][0]=a.G;d=a.r.F;!b&&a.r.x&&(a.r.pb||++a.v,d=a.v);a.u[a.B][1]=d;return!0}function EB(a){var b;a.B=0;a.v=0;yC(a);for(b=1;b<=a.w;++b)a.G=b,eC(a,!1);a.G=0}\nfunction FB(a){var b,c;b=tA(a);c=a.r.K.b;a.r.G||(c=I(c-a.r.eb));return b.a<~~(c/2)-24?1:b.a>~~(c/2)+24?3:2}function nA(a,b){var c,d,e,f,g,j,h;c=tA(a);d=c.a;e=c.b;g=Math.sin(3.141592653589793*b/180);c=Math.cos(3.141592653589793*b/180);for(f=1;f<=a.w;++f)j=a.M[f]*c+a.O[f]*g,h=-a.M[f]*g+a.O[f]*c,a.M[f]=j,a.O[f]=h;c=tA(a);for(f=1;f<=a.w;++f)a.M[f]+=d-c.a,a.O[f]+=e-c.b}\nfunction vC(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.x;++d)b=a.M[a.K[d]]-a.M[a.L[d]],c=a.O[a.K[d]]-a.O[a.L[d]],f+=Math.sqrt(b*b+c*c);0<a.x?(f/=a.x,e=(a.r?25*a.r.J:25)/f):1<a.w&&(e=3*(a.r?25*a.r.J:25)/Math.sqrt((a.M[1]-a.M[2])*(a.M[1]-a.M[2])+(a.O[1]-a.O[2])*(a.O[1]-a.O[2])));for(d=1;d<=a.w;++d)a.M[d]*=e,a.O[d]*=e}\nfunction NB(a,b,c){var d,e,f,g,j;if(0==c.indexOf(lc)&&eE(c,pc))c=c.substr(1,c.length-1-1),a.b[b]=18,a.s[b]=c,a.A[b]=0;else{a.q[b]=0;e=RE.a.exec(c);g=new Lz;g.a=e;if(g.a){d=sB(g.a[1],10);e=g.a[2];a:{j=Wq((!ME&&NE(),ME),e);if(null!=j)for(f=0;f<j.length;++f)if(d==j[f]){f=!0;break a}f=!1}f&&(a.q[b]=d,c=e+g.a[3])}f=!1;-1<c.indexOf(wa)&&(f=!0);-1<c.indexOf(jb)&&(f=!0);-1<c.indexOf(ga)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(hb);e=c.indexOf(Hb);g=Xi(c.indexOf(va),c.indexOf(ya));if(-1<d){j=Ft(c,d+1);\ntry{a.r.F=sB(j,10)}catch(h){if(h=Cm(h),D(h,79))a.r.F=0;else throw h;}0<a.r.F&&(a.G=b,eC(a,!0),a.G=0);c=c.substr(0,d-0)}if(f)a.s[b]=c,a.b[b]=18,a.A[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,g-0));a.b[b]=G(d,wb)?3:G(d,ub)?2:G(d,Sb)?4:G(d,Wb)?5:G(d,Xb)?7:G(d,ac)?8:G(d,Eb)?9:G(d,Ab)?10:G(d,vb)?11:G(d,Jb)?12:G(d,Hb)?1:G(d,dc)?13:G(d,ec)?6:G(d,Yb)?19:18;18==a.b[b]&&(a.s[b]=d);c+=m;d=0;0<e&&(d=1,e=dE(c,++e),48<=e&&57>=e&&(d=e-48));18==a.b[b]&&(a.A[b]=d);d=0;if(0<g&&(e=dE(c,g++),43==e?d=1:45==\ne&&(d=-1),0!=d&&(e=dE(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=dE(c,g++);for(;45==e;)--d,e=dE(c,g++)}a.D[b]=d}}}function uB(a,b,c){var d,e;a.o=1;c&&(a.o=-1);b=new Kz(b);try{for(;b.j=Dz(b,b.a),b.j<b.i;)d=rB(sB(Gz(b),10)).a,c=e=rB(sB(Gz(b),10)).a,(0>c||6<c)&&(c=0),a.d[d]=c}catch(f){if(f=Cm(f),D(f,79))Fl(f);else throw f;}}\nfunction lF(a,b,c,d,e){b=VE(a,b,c);5!=a.k[b]&&UB(a,b)?Hl(d.a,nb):3==a.i[b]?Hl(d.a,ga):9==a.i[b]?(e=rb,a=a.j[b],null!=a&&(e=a),Hl(d.a,e)):1==e[b]?Hl(d.a,Xa):-1==e[b]&&Hl(d.a,nc)}function lC(a,b,c,d){a=c-a;b=d-b;return a*a+b*b}\nfunction fC(a,b){var c,d;if(1==a.i[b])if(c=a.K[b],d=a.L[b],2>a.C[c]&&2>a.C[d])a.E[b]=0,Mp(a.r,"Stereomarking meaningless on this bond !");else switch(a.E[b]){case 0:a.C[d]<=a.C[c]?a.E[b]=1:a.E[b]=3;break;case 1:a.E[b]=2;break;case 2:2<a.C[d]?a.E[b]=3:a.E[b]=1;break;case 3:a.E[b]=4;break;case 4:2<a.C[c]?a.E[b]=1:a.E[b]=3}else 2==a.i[b]?10==a.E[b]?a.E[b]=0:a.E[b]=10:Mp(a.r,"Stereomarking allowed only on single and double bonds!")}\nfunction jF(a,b,c,d,e){var f,g,j,h,n,o,v,u,w;if(!(2!=a.i[b]||5==a.k[b])&&(10==a.E[b]||a.r.w&&!e[b]))if(e=a.K[b],f=a.L[b],!(2>a.C[e]||2>a.C[f]||3<a.C[e]||3<a.C[f])){c[e]>c[f]&&(g=e,e=f,f=g);v=o=b=0;u=!1;for(n=1;n<=a.C[e];++n)g=a.J[e][n],g!=f&&(0==o?o=g:v=g);0<v&&c[o]>c[v]&&(g=o,o=v,v=g);h=VE(a,e,o);0!=d[h]?b=o:1==a.i[h]&&5!=a.k[h]&&(b=o);0==b&&(h=VE(a,e,v),0!=d[h]?b=v:1==a.i[h]&&5!=a.k[h]&&(b=v));c[b]>c[e]&&(u=!0);j=v=o=0;for(n=1;n<=a.C[f];++n)g=a.J[f][n],g!=e&&(0==v?v=g:j=g);0<j&&c[v]<c[j]&&(g=v,\nv=j,j=g);h=VE(a,f,v);1==a.i[h]&&5!=a.k[h]&&0==d[h]&&(o=v);0==o&&(h=VE(a,f,j),1==a.i[h]&&5!=a.k[h]&&(o=j));if(!(0==b||0==o))if(h=a.M[f]-a.M[e],g=a.O[f]-a.O[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,v=(a.O[b]-a.O[e])*h-(a.M[b]-a.M[e])*g,w=(a.O[o]-a.O[e])*h-(a.M[o]-a.M[e])*g,2>(0>=v?0-v:v)||2>(0>=w?0-w:w))Mp(a.r,"Not unique E/Z geometry !");else{j=VE(a,b,e);f=VE(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.C[b];++n)if(g=a.J[b][n],g!=e&&(h=VE(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==\nd[f]&&(0<v&&0<w||0>v&&0>w?d[f]=-d[j]:d[f]=d[j],u&&(d[f]=-d[f]))}}}function dF(a,b){var c,d,e;e=0;for(d=1;d<=a.C[b];++d)if(c=VE(a,b,a.J[b][d]),1==a.i[c])e+=1;else if(UB(a,c))e+=2;else if(3==a.i[c])e+=3;else if(9==a.i[c])return-1;return e}function kF(a,b,c){var d;d=a.E[b];return 1>d||4<d?0:1==d&&a.K[b]==c?1:2==d&&a.K[b]==c?-1:3==d&&a.L[b]==c?1:4==d&&a.L[b]==c?-1:0}\nfunction KB(a){var b;for(b=1;b<=a.w;++b){var c=a,d=b,e=void 0,e=dF(c,d);if(-1==e)c.A[d]=0;else{switch(c.b[d]){case 1:2==e?c.D[d]=1:c.D[d]=0;c.A[d]=0;break;case 2:3==e||5==e?(c.A[d]=0,c.D[d]=0):3>e?c.A[d]=3-e-c.D[d]:4==e?(c.D[d]=-1,c.A[d]=0):5<e&&(c.D[d]=e-5,c.A[d]=0);break;case 3:case 6:4>e?0<c.D[d]?c.A[d]=2-e+c.D[d]:0>c.D[d]?c.A[d]=2-e-c.D[d]:c.A[d]=4-e:(c.D[d]=e-4,c.A[d]=4-e+c.D[d]);break;case 4:case 7:3>e?c.A[d]=3-e+c.D[d]:3==e?0>c.D[d]?(c.D[d]=0,c.A[d]=0):0<c.D[d]?c.A[d]=c.D[d]:c.A[d]=0:(c.D[d]=\n4==e?1:6==e?-1:e-5,c.A[d]=0);break;case 5:2==e&&(0>c.D[d]?(c.D[d]=0,c.A[d]=0):0<c.D[d]?c.A[d]=c.D[d]:c.A[d]=0);2<e&&(c.D[d]=e-2);c.A[d]=2-e+c.D[d];break;case 8:case 13:2>e?c.A[d]=2-e+c.D[d]:2==e?0>c.D[d]?(c.D[d]=0,c.A[d]=0):0<c.D[d]?c.A[d]=c.D[d]:c.A[d]=0:3==e?2==c.C[d]?(c.D[d]=0,c.A[d]=1):(c.D[d]=1,c.A[d]=0):4==e?(c.D[d]=0,c.A[d]=0):5==e?(c.D[d]=0,c.A[d]=1):(c.D[d]=e-6,c.A[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.D[d]=e-1);c.A[d]=1-e+c.D[d];2<e&&(c.D[d]=0,c.A[d]=0);break;case 19:case 18:c.A[d]=\n0}0>c.A[d]&&(c.A[d]=0)}}}function yA(a){QE();SE(this);this.r=a;this.B=this.x=this.w=0}\nfunction tB(a,b){QE();var c,d,e,f,g,j,h,n;yA.call(this,a);d=l;h=pB(b);if(null!=h){n=new Jz(b,h,!0);for(g=1;4>=g;++g)d=qB(n,h);j=rB(sB(Et(d.substr(0,3)),10)).a;c=rB(sB(Et(d.substr(3,3)),10)).a;for(g=1;g<=j;++g){gC(this);d=qB(n,h);this.M[g]=(new YD(VD(Et(d.substr(0,10))))).a;this.O[g]=-(new YD(VD(Et(d.substr(10,10))))).a;f=34;34>d.length&&(f=d.length);f=Et(d.substr(31,f-31));NB(this,g,f);62<=d.length&&(e=Et(d.substr(60,3)),0<e.length&&(e=rB(sB(e,10)).a,0<e&&(this.G=g,a.F=e,eC(this,!0),this.G=0)));if(36<=\nd.length&&(e=Et(d.substr(34,2)),0<e.length&&(e=rB(sB(e,10)).a,0!=e&&-3<=e&&4>=e))){var o=void 0,o=LE(f);f=0<o?o+e:-1;0>f&&(f=0);this.q[g]=f}if(39<=d.length&&(e=Et(d.substr(37,2)),0<e.length&&(e=rB(sB(e,10)).a,0<e&&7>=e))){d=0;switch(e){case 1:d=3;break;case 2:d=2;break;case 3:d=1;break;case 4:d=0;break;case 5:d=-1;break;case 6:d=-2;break;case 7:d=-3}this.D[g]=d}}for(g=1;g<=c;++g)qC(this),d=qB(n,h),this.K[g]=rB(sB(Et(d.substr(0,3)),10)).a,this.L[g]=rB(sB(Et(d.substr(3,3)),10)).a,j=rB(sB(Et(d.substr(6,\n3)),10)).a,1==j?this.i[g]=1:2==j?this.i[g]=2:3==j?this.i[g]=3:this.i[g]=9,f=0,11<d.length&&(f=rB(sB(Et(d.substr(9,3)),10)).a),1==j&&1==f&&(this.i[g]=1,this.E[g]=1),1==j&&6==f&&(this.i[g]=1,this.E[g]=2);eF(this);vC(this);vA(this);for(GB(this);(n.j=Dz(n,n.a),n.j<n.i)&&!(null==(d=Gz(n)));){if(0==d.indexOf("M  END"))break;if(0==d.indexOf("M  CHG")){j=new Iz(d);Gz(j);Gz(j);h=rB(sB(Gz(j),10)).a;for(g=1;g<=h;++g)c=rB(sB(Gz(j),10)).a,this.D[c]=rB(sB(Gz(j),10)).a}if(0==d.indexOf("M  ISO")){j=new Iz(d);Gz(j);\nGz(j);h=rB(sB(Gz(j),10)).a;for(g=1;g<=h;++g)c=rB(sB(Gz(j),10)).a,this.q[c]=rB(sB(Gz(j),10)).a}if(0==d.indexOf("M  APO")){j=new Iz(d);Gz(j);Gz(j);h=rB(sB(Gz(j),10)).a;for(g=1;g<=h;++g)c=rB(sB(Gz(j),10)).a,d=rB(sB(Gz(j),10)).a,this.G=c,W(this,this.G,0),NB(this,this.w,Yb+d),this.G=0}}gF(this);GB(this)}}\nfunction CC(a,b){QE();var c,d,e,f,g;yA.call(this,a);0==b.indexOf(da)&&(b=b.substr(1,b.length-1));eE(b,da)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.w=0;else{try{f=new Iz(b);d=rB(sB(Gz(f),10)).a;e=rB(sB(Gz(f),10)).a;for(c=1;c<=d;++c)g=Gz(f),gC(this),NB(this,this.w,g),this.M[c]=(new YD(VD(Gz(f)))).a,this.O[c]=-(new YD(VD(Gz(f)))).a;for(c=1;c<=e;++c)if(qC(this),this.K[c]=rB(sB(Gz(f),10)).a,this.L[c]=rB(sB(Gz(f),10)).a,this.i[c]=rB(sB(Gz(f),10)).a,-1==this.i[c])this.i[c]=1,this.E[c]=1;else if(-2==\nthis.i[c])this.i[c]=1,this.E[c]=2;else if(-5==this.i[c])this.i[c]=2,this.E[c]=10;else if(11==this.i[c]||12==this.i[c]||13==this.i[c]||14==this.i[c])this.E[c]=this.i[c],this.i[c]=9;eF(this);vC(this);vA(this)}catch(j){j=Cm(j);if(D(j,79)){j.Rc();this.w=0;return}throw j;}gF(this);GB(this)}}\nfunction wB(a,b,c){QE();var d,e,f;yA.call(this,a);f=V(b.w+1);for(a=1;a<=b.w;++a)b.a[a]==c&&(gC(this),this.b[this.w]=b.b[a],this.M[this.w]=b.M[a],this.O[this.w]=b.O[a],this.D[this.w]=b.D[a],this.A[this.w]=b.A[a],this.q[this.w]=b.q[a],this.d[this.w]=b.d[a],this.c[this.w]=b.c[a],this.s[this.w]=b.s[a],f[a]=this.w);for(a=1;a<=b.x;++a)if(d=b.K[a],e=b.L[a],!(b.a[d]!=c&&b.a[e]!=c)&&!(b.a[d]!=c||b.a[e]!=c))qC(this),this.i[this.x]=b.i[a],this.E[this.x]=b.E[a],this.K[this.x]=f[d],this.L[this.x]=f[e],this.j[this.x]=\nb.j[a];for(a=1;a<=b.B;++a)d=b.u[a][0],d==c&&(++this.B,this.u[this.B][0]=f[d],this.u[this.B][1]=b.u[a][1]);this.o=b.o;GB(this);vA(this)}\nfunction RB(a,b,c){QE();var d,e,f,g,j;yA.call(this,a);for(a=1;a<=c;++a)this.w+=b[a].w,this.x+=b[a].x,this.B+=b[a].B;this.b=V(this.w+1);this.D=V(this.w+1);this.q=V(this.w+1);this.A=V(this.w+1);this.d=V(this.w+1);this.c=[];this.M=V(this.w+1);this.O=V(this.w+1);this.s=[];this.K=V(this.x+1);this.L=V(this.x+1);this.i=V(this.x+1);this.j=[];this.E=V(this.x+1);this.u=JE(this.B+1,2);f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].w;++d)++e,this.b[e]=b[a].b[d],this.M[e]=b[a].M[d],this.O[e]=b[a].O[d],this.D[e]=\nb[a].D[d],this.q[e]=b[a].q[d],this.A[e]=b[a].A[d],this.d[e]=b[a].d[d],this.c[e]=b[a].c[d],this.s[e]=b[a].s[d];for(d=1;d<=b[a].x;++d)++g,this.i[g]=b[a].i[d],this.E[g]=b[a].E[d],this.K[g]=b[a].K[d]+f,this.L[g]=b[a].L[d]+f,this.j[g]=b[a].j[d];for(d=1;d<=b[a].B;++d)++j,this.u[j][0]=b[a].u[d][0]+f,this.u[j][1]=b[a].u[d][1];f=e}GB(this);vA(this)}\nfunction kA(a){QE();var 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