RubyGems - lazar-gui - Versions diffs - 1.0.2 → 1.1.3 - Mend

lazar-gui 1.0.2 → 1.1.3

Files changed (185) hide show

data/public/jsme/20865588BA1E58170CC8C13CEAD50C3C.cache.html DELETED

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-M-(M-W)/10*h,E=u-(u-r)/10*h,Y(g,O(N(Math.round(v))),O(N(Math.round(E))),O(N(Math.round(v))),O(N(Math.round(E))));XC(g,f.o.n);o=fD(f.o.o);J=f.f[j];h=tb;null!=J&&(h=J);J=RA(f.o.o,h);M=O(N(Math.round((M+W)/2-J/2)));q=O(N(Math.round((u+r)/2+~~(o/2)-1)));X(g,Jz);YC(g,h,M,q);X(g,Fz);break;default:if(1==f.C[j]||3==f.C[j])q=ca*R,J=ca*D,E=y(I,s,-1,3,1),v=y(I,s,-1,3,1),E[0]=O(N(Math.round(W+q))),v[0]=O(N(Math.round(r-J))),E[1]=O(N(Math.round(M))),v[1]=O(N(Math.round(u))),E[2]=O(N(Math.round(W-q))),v[2]=O(N(Math.round(r+
-J))),o=g,h=E,r=v,OC(o,!0),PC(o,eD(o,h,r,3,!0));else if(2==f.C[j]||4==f.C[j]){q=ca*R;J=ca*D;for(h=0;10>h;++h)v=M-(M-W)/10*h,E=u-(u-r)/10*h,o=h/10,Y(g,O(N(Math.round(v+q*o))),O(N(Math.round(E-J*o))),O(N(Math.round(v-q*o))),O(N(Math.round(E+J*o))))}else Y(g,O(N(Math.round(M))),O(N(Math.round(u))),O(N(Math.round(W))),O(N(Math.round(r))))}}D=y(FC,m,-1,f.u+1,1);R=y(I,s,-1,f.u+1,1);for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],n=f.K[h],r=f.K[o],++R[h],++R[o],D[h]=D[h]/R[h]+r/R[h],D[o]=D[o]/R[o]+n/R[o];XC(g,f.o.n);
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-(sb+=f.y[j])),v=l,0!=f.B[j]&&(1<Lj(f.B[j])&&(v+=Lj(f.B[j])),0<f.B[j]?v+=ya:v+=Ca),M||!E?h=h+sb+v+l:h=v+sb+l+h,E||(q=h),J[j]=h,q=RA(f.o.o,q),v=RA(f.o.o,h),W[j]=q,r[j]=v,v=n[j]=iD(f,u,j,q,v,o,M),M=v.d+u+1,q=v.e+o+u,X(g,f.o.u),-1==f.k&&0!=f.e[j]&&X(g,(dC(),kC)[f.e[j]]),nA(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?X(g,(dC(),kC)[f.e[j]]):X(g,(yz(),Fz)):X(g,(dC(),hC)[f.c[j]]),YC(g,h,M,q));for(h=1;h<=f.z;++h)j=f.r[h][0],q=W[j],v=r[j],M=O(N(cD(f.K[j]-q/2))),q=O(N(cD(f.N[j]+~~(o/2)-1))),X(g,(yz(),Jz)),YC(g,ba+f.r[h][1],
-M+v,q);if(0<f.E||0<f.F)if(X(g,104==f.o.d?(yz(),Gz):(yz(),Mz)),0<f.E&&106!=f.o.d&&(v=n[f.E],NC(g,v.d,v.e,v.c,v.b)),0<f.F&&(h=f.I[f.F],o=f.J[f.F],J=f.K[o]-f.K[h],R=f.N[o]-f.N[h],D=Math.sqrt(J*J+R*R),1>D&&(D=1),R/=D,D=J/D,q=(ca+1)*R,J=(ca+1)*D,E=y(I,s,-1,5,1),v=y(I,s,-1,5,1),E[0]=O(N(cD(f.K[h]+q))),E[1]=O(N(cD(f.K[o]+q))),v[0]=O(N(cD(f.N[h]-J))),v[1]=O(N(cD(f.N[o]-J))),E[3]=O(N(cD(f.K[h]-q))),E[2]=O(N(cD(f.K[o]-q))),v[3]=O(N(cD(f.N[h]+J))),v[2]=O(N(cD(f.N[o]+J))),E[4]=E[0],v[4]=v[0],106!=f.o.d&&(ca=
-g,j=E,R=v,ca.o&&(OC(ca,!1),PC(ca,eD(ca,j,R,5,!0)))),106==f.o.d&&jD(f,f.I[f.F],f.J[f.F]))){ca=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++ca;if(ca>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;X(g,(yz(),Gz));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],NC(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(X(e,(yz(),Dz)),Y(e,c-1,0,c-1,b-1)):(X(e,Oz(fC)),Y(e,c-1,0,c-1,b-1),X(e,fC),Y(e,c-2,0,c-2,b-1),X(e,gC),Y(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),X(e,(yz(),Jz)),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.A&&(a.U=new aA(Vb,0,13),a.X=new QA(a.U),null!=a.cb&&(d=RA(a.X,a.cb),c=O(N(Math.round((c-d)/2))),b-=13,X(e,(yz(),Fz)),XC(e,a.U),YC(e,a.cb,c,b)));ZC(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
-function VC(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(I,s,-1,9,1);n=y(I,s,-1,9,1);c+=~~(a.Z/2);d+=~~(a.Z/2);a=~~(a.Z/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=L(c+a*Math.sin(j)),n[f]=L(d+a*Math.cos(j));f=e+1;b.o&&(OC(b,!1),PC(b,eD(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=L(c+(a-3)*Math.sin(j)),n[f]=L(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 kD(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;X(d,fC);nA(d,0,0,b,c);a.pb?(X(d,(yz(),Dz)),c=14*(a.Z+a.T),NC(d,c,0,b-c-1,2*a.Z+a.T-1)):(X(d,Oz(fC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,gC),Y(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)MC(a,d,b,1),MC(a,d,b,2);a.d=c;ZC(a.Vb,a.Rb,0,0)}}
-function SC(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);RC(a,b,c+o-j,f,d-4-j-1,e,h)}
-function lD(a,b,c){var d,e,f,g,j,h;mD(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=nD(b);b=new YB(b,j,!0);e=l;for(d=1;5>=d;++d)e=oD(b,j);d=pD(DB(Rn(e.substr(0,3)),10)).b;g=pD(DB(Rn(e.substr(3,3)),10)).b;oD(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=oD(b,j),null==h||G(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new qD(a,f)}EC(a,1,d,1);EC(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new qD(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",BC(a),!1;null!=a.j&&a.$&&rD(a.$,a.j,!0);null!=a.k&&
-a.$&&rD(a.$,a.k,!1);j=sD(a.$,!1);if(1==j)a.gb[++a.vb]=a.$;else{a.kb=!0;for(e=1;e<=j;++e)a.gb[++a.vb]=new tD(a,a.$,e)}a.f=1;a.$=a.gb[a.f];EC(a,1,j,0)}c&&BC(a);return!0}function sq(a,b){a.lb=!0;a.K=b}function dD(a,b){100>b&&(!mC[b]&&(mC[b]=new aA(Vb,0,b)),!oC[b]&&Wr(oC,b,new QA(mC[b])),a.n=mC[b],a.o=oC[b])}
-function wq(a,b){var c,d;if(0==b)return!1;AC(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:JC(a);break;case 110:a.nb=!0;a.d=c;a._.b!=a._.c&&a._.b.c!=a._.c?a.i&&(++a.vb,a.f=a.vb,a.i=!1):(a.lb=!0,a.K="No more undo");if(!(a._.b!=a._.c&&a._.b.c!=a._.c))break;uD(a,vD(a._));a.nb=!0;break;case 111:a.d=c;if(a._.b.d)a.i&&(++a.vb,a.f=a.vb,a.i=!1);else{a.lb=!0;a.K="No more redo";break}if(!a._.b.d)break;d=a._;if(!d.b.d)throw new Gu("Cannot redo. Index is out of range.");if(!d.b.d)throw new Gu(Yb);
-d.b=d.b.d;uD(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=At(d,d.b)):d=null;null==d?(a.lb=!0,a.K=hc):(sq(a,dc+(a.Ib.b+1)+da+a.Ib.d),d=wD(d),xD(a,d,!1,!0),null!=a.tb&&$B(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=At(d,d.b)):d=null;null==d?(a.lb=!0,a.K=hc):(sq(a,dc+(a.Ib.b+1)+da+a.Ib.d),d=wD(d),xD(a,d,!1,!0),null!=a.tb&&$B(a.tb,null));break;case 101:a.Mb&&yD(a.Mb);a.Mb=new zD(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new AD(a):a.Eb.hc.d._?BD(a.Eb.hc.d):CD(a.Eb);break;case 114:a.c&&
-yD(a.c);a.c=new zD(0,a);a.d=c;break;case 103:a.nb=!0;a.qb=!0;a.d=c;break;case 105:a.nb=!0;a.r&&a.hb&&(a.hb=!1,DD(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=ED(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(FC,m,-1,4,1);GC(a.$,d);a.nb=!0;a.$=new sC(a.$);d=L(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;FD(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,GD(a.$,a.$.E),a.$.E=0,CC(a)):0<a.$.F&&(a.nb=!0,HD(a.$,a.$.F),a.$.F=0,CC(a));ID(a.$);break;case 213:a.d=
-c;if(!a.F){var e,f,g,j;j=new GA;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new zA(c),FA(j,g),g.d=c,Sy(g.e,a);Qx(a,j);a.F=j}JD(a.F.b,a,a.G.b,a.G.c)}else{a.mb=!0;a.ob=!0;switch(b){case 301:a.e=3;break;case 401:a.e=4;break;case 501:a.e=5;break;case 701:a.e=9;break;case 801:a.e=10;break;case 901:a.e=11;break;case 1001:a.e=12;break;case 601:a.e=8;break;case 1101:a.e=7;break;case 1300:a.e=1;break;case 1201:a.p&&(yD(a.p),a.p=null);0==a.$.E&&(a.p=new zD(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
-20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.E&&(a.nb=!0,a.e!=a.$.c[a.$.E]&&18!=a.e&&(a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,CC(a)),18==a.e&&(d=Vn((tq(),uq).hc.b.hb,Sg),KD(a.$,a.$.E,d),CC(a)),ID(a.$))}BC(a);return!0}
-function pq(a){var b,c,d;d=wC(a);c=l;if(a.Gb){var e,f,g;g=Qr([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)ED(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(LD(g[1][0],3)+LD(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+MD(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+MD(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new ND(a,a.gb,a.vb)),c=MD(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
-function OD(a,b,c,d){var e;e=c;var f=d,g,j;(g=PD(b),j=0!=(b.f&2),g||j)?(g=a.Gb?(!a.x&&(a.x=LC(a,!0)),a.x):(!a.w&&(a.w=LC(a,!1)),a.w),JD(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=QD(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){e=0;for(b=1;14>=b;++b)if(c<b*(a.Z+a.T)){e=b;break}c=0;for(b=1;b<=aD+2;++b)if(d<b*(a.Z+a.T)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",BC(a),!0;
-if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",BC(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=wq(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)GD(a.$,a.$.E),a.$.E=0,CC(a);else{if(106==a.d)return!0;if(108==a.d)RD(a.$,a.$.E,0),CC(a);else if(157==a.d)RD(a.$,a.$.E,1),CC(a);else if(158==a.d)RD(a.$,a.$.E,-1),CC(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
-1,Z(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):CC(a);else if(206<=a.d&&229>=a.d)a.P=2,SD(a.$),CC(a);else if(230==a.d)a.P=3,CC(a);else if(233<=a.d&&262>a.d)TD(a.$,!1),CC(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;KD(a.$,a.$.E,Vn(a.Eb.f.hc.b.hb,Sg));a.$.n=!0;CC(a)}else if(105==a.d)UD(a.$),CC(a);else if(113!=a.d)if(300<a.d){if(a.e!=a.$.c[a.$.E]||18==a.e)a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,18==a.e&&(d=Vn((tq(),uq).hc.b.hb,Sg),1>d.length&&(d=Oc),KD(a.$,a.$.E,
-d)),CC(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,SD(a.$),CC(a);else if(0<a.$.F)if(104==a.d)HD(a.$,a.$.F),a.$.F=0,CC(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])sq(d.o,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.u;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;GD(d,c);d.b[c]=0}a.$.F=0;CC(a)}else if(201==a.d)VD(a.$,a.$.F),CC(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),CC(a),a.$.C[a.$.F]=
-0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,CC(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,CC(a);else if(206<=a.d&&229>=a.d)a.P=2,SD(a.$),CC(a);else if(107==a.d){if(!a.Eb.c)return!0;d=Vn(a.Eb.f.hc.b.hb,Sg);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;CC(a)}else 105==a.d?(a.lb=!0,a.K="Only atoms may be marked !"):e=!1;else if(0==a.vb||a.qb){if(201>=a.d)return!1;++a.vb;a.f=a.vb;a.gb[a.vb]=new KC(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(WD(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
-1,a.$.G=1,a.P=1,Z(a.$,0),205==a.d&&(a.$.K[2]=c+21.65,a.$.N[2]=d-12.5,a.$.j[0]=1,a.$.j[1]=2,a.$.w=1)):206<=a.d&&229>=a.d?(a.$.M=c,a.$.P=d,a.P=2,SD(a.$)):300<a.d?(WD(a.$),a.$.c[1]=a.e,a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,18==a.e&&(d=Vn((tq(),uq).hc.b.hb,Sg),1>d.length&&(d=Oc),KD(a.$,1,d))):230==a.d?XD(a,null,!0):233<=a.d&&262>a.d?(WD(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,TD(a.$,!0)):pB();CC(a)}else e=!1;e&&(ID(a.$),a.mb=!1,a.ob=!1,a.nb=!0,BC(a))}return e}
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-q*h;h=q*j-r*h;if(0>n)if(1<b.w)GD(b,b.u),--b.w,b.D=!1;else if(2==b.u)0>b.N[2]-b.N[1]&&0<f-b.N[1]?b.N[2]=b.N[1]+g/2:0<b.N[2]-b.N[1]&&0>f-b.N[1]&&(b.N[2]=b.N[1]-g/2),0>b.K[2]-b.K[1]&&0<e-b.K[1]?b.K[2]=b.K[1]+0.866*g:0<b.K[2]-b.K[1]&&0>e-b.K[1]&&(b.K[2]=b.K[1]-0.866*g);else{if(2==b.A[b.j[0]]&&(o=b.H[b.j[0]][1],o==b.j[1]&&(o=b.H[b.j[0]][2]),j=b.K[b.j[0]]-b.K[o],h=b.N[b.j[0]]-b.N[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,r=e-b.K[o],q=f-b.N[o],e=q*j-r*h,r=b.K[b.j[1]]-b.K[o],q=b.N[b.j[1]]-b.N[o],f=q*j-
-r*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],Z(b,0),HD(b,e),0<ZD(b,b.u)&&(b.D=!0)}else{if(b.D)break a;e=-1;n<1.5*g&&(e=(1.5*g-n)*o/(1.5*g));if((0>=h?0-h:h)>e){++b.w;if(100<b.w){sq(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;Z(b,O(N(Math.round(h))));b.j[b.w]=b.u;0<ZD(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;sq(b.o,e+l)}else j=e-b.K[b.G],h=f-b.N[b.G],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.K[b.u]=b.K[b.G]+25*(j/g),b.N[b.u]=b.N[b.G]+25*(h/g)}a.s=!0}else if(113==a.d&&0<a.$.E)a.jb||(a.jb=
-!0),b=a.$,0<b.E&&(e=b.E,b.K[e]=c,b.N[e]=d);else if(QD(b)||PD(b))zC(a.$,e),a.P=5;else if(0==a.$.E&&0==a.$.F){5!=a.P&&(e=f=0);b=a.$;for(g=1;g<=b.u;++g)b.K[g]+=e,b.N[g]+=f;h=y(FC,m,-1,4,1);GC(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.o.D.c-b.o.Z&&0<h&&h<b.o.D.b-3*b.o.Z))for(g=1;g<=b.u;++g)b.K[g]-=e,b.N[g]-=f;a.P=5}a.E=!1;AC(a);a.nb=!0;BC(a);a.Tb=c;a.Ub=d;return!0}
-function $D(a,b,c,d){var e,f,g;if(!(a.A&&null==a.sb||PD(b))){c-=a.Z;d-=2*a.Z;g=!1;f=0;b=1;a:for(;b<=a.vb;++b){e=a.gb[b];for(var j=c,h=d,n=void 0,o=void 0,r=void 0,q=void 0,u=void 0,n=void 0,r=0,u=((dC(),lC)?350:170)+1,q=1;q<=e.v;++q)n=j-e.L[q],o=h-e.O[q],n=n*n+o*o,n<u&&(u=n,r=q);r*=-1;for(q=1;q<=e.u;++q)n=j-e.K[q],o=h-e.N[q],n=n*n+o*o,n<u&&(u=n,r=q);e=r;if(0!=e){a.gb[b].E=0<e?e:0;a.gb[b].F=0>e?-e:0;f=b;g=!0;aE(a,a.gb[b].E);113==a.d&&0>e&&(g=!1,a.gb[b].F=0);break a}else if(aE(a,0),0<a.gb[b].E||0<a.gb[b].F)a.gb[b].E=
-0,a.gb[b].F=0,g=!0}if(g){for(b=a.f+1;b<=a.vb;++b)a.gb[b].E=0,a.gb[b].F=0;a.E=!1;AC(a);a.nb=!0;BC(a)}!a.A&&0!=f&&f!=a.f&&(a.f=f,a.$=a.gb[a.f])}}
-function bE(a){if(a.A)return!0;a.jb&&(a.jb=!1,CC(a));a.lb=!1;a.Q=bh;if(1==a.P){if(205==a.d){var b=a.$,c,d;b.D&&(c=ZD(b,b.u),6>b.A[c]&&(cE(b),d=b.j[b.w-1],b.I[b.v]=c,b.J[b.v]=d,b.H[c][++b.A[c]]=d,b.H[d][++b.A[d]]=c),GD(b,b.u));b.D=!1;CC(a)}else a:{var b=a.$,e,f;c=ZD(b,b.u);if(0!=c){--b.u;for(f=1;f<b.v;++f)if(d=b.I[f],e=b.J[f],d==c&&e==b.G||d==b.G&&e==c){--b.v;--b.A[b.G];3>b.t[f]?(++b.t[f],b.C[f]=0):sq(b.o,"Maximum allowed bond order is 3 !");break a}6==b.A[c]?(--b.v,--b.A[b.G],sq(b.o,"Not possible connection !")):
-(b.J[b.v]=c,b.H[c][++b.A[c]]=b.G,b.H[b.G][b.A[b.G]]=c,b.L[b.v]=O(N(cD((b.K[b.G]+b.K[c])/2))),b.O[b.v]=O(N(cD((b.N[b.G]+b.N[c])/2))))}}IC(a.$);a.s&&(b=a._,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,vD(b),b.b.d=c),CC(a),a.s=!1)}else 5==a.P&&(IC(a.$),CC(a));0<a.P&&(a.E=!1,AC(a),a.nb=!0,ID(a.$),dE(a.$),BC(a),a.P=0,a.i=!1);if(lC&&(0!=a.$.F||0!=a.$.E))a.$.F=0,a.$.E=0,AC(a),a.nb=!0,BC(a);return!0}function AC(a){a.mb=!1;a.ob=!1;a.nb=!1}
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--1<b.indexOf("nocanonize")?a.t=!1:-1<b.indexOf("canonize")&&(a.t=!0);-1<b.indexOf("nomultipart")?a.kb=!1:-1<b.indexOf(wf)&&(a.kb=!0);-1<b.indexOf("nonumber")?(a.ub=!1,a.r=!1):-1<b.indexOf(Ff)&&(a.ub=!0,a.r=!1);-1<b.indexOf("newlook")?(a.pb=!0,a.T=1):-1<b.indexOf("oldlook")&&(a.pb=!1,a.T=0);-1<b.indexOf("autonumber")&&(a.r=!0,a.ub=!0);-1<b.indexOf("star")&&(a.Ob=!0,a.ub=!0);-1<b.indexOf("nostar")&&(a.Ob=!1,a.ub=!1);-1<b.indexOf("polarnitro")&&(a.zb=!0);-1<b.indexOf("nopolarnitro")&&(a.zb=!1);-1<b.indexOf("depict")&&
-(a.A=!0,a.Z=0,a.db=null,EC(a,1,a.vb,0));if(-1<b.indexOf("nodepict")){a.A=!1;for(d=1;d<=a.vb;++d)gE(a.gb[d]),HC(a.gb[d]);a.C=1;a.Z=24;a.$&&(a.$.x=!0)}-1<b.indexOf("xbutton")&&(a.Sb=!0);-1<b.indexOf("noxbutton")&&(a.Sb=!1);d=a.wb;-1<b.indexOf("nopaste")?a.wb=!1:-1<b.indexOf(Pf)&&(a.wb=!0);d!=a.wb&&(a.w=null,a.x=null);-1<b.indexOf(nd)&&(a.B=!0);-1<b.indexOf("noborder")&&(a.B=!1);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.rb=!0);-1<b.indexOf("jmeh")&&
-(a.N=!0);-1<b.indexOf("showan")&&(a.Kb=!0);-1<b.indexOf("atommovebutton")&&(a.Jb=!0);-1<b.indexOf("noatommovebutton")&&(a.Jb=!1);a.Gb&&(a.r=!0,a.kb=!0);a.A||(a.B=!1);a.Fb&&++aD;c&&BC(a)}
-function BC(a){var b,c,d,e;b=Ny(a);!a.D||b.c!=a.D.c||b.b!=a.D.b||!a.db||!a.J?(e=!1,a.D&&(e=b.c!=a.D.c||b.b!=a.D.b),a.D=b,d=b.c-a.Z,c=b.b-3*a.Z-a.T,1>d&&(d=1),1>c&&(c=1),a.db=a.Fe(a.db,d,c),a.A&&e&&EC(a,1,a.vb,0),bD(a),a.A||(a.Rb=a.Fe(a.Rb,b.c,2*a.Z+a.T),kD(a),c=b.b-2*a.Z+a.T,1>c&&(c=1),a.R=a.Fe(a.R,a.Z,c),$C(a),a.J=a.Fe(a.J,d,a.Z),WC(a))):(bD(a),a.A||(WC(a),a.E&&(kD(a),$C(a)),a.E=!0));a.mb=!0;a.ob=!0;a.nb=!0;a.lb=!0}
-function hE(a,b){var c,d,e;e=l;for(d=1;d<=a.vb;++d){if(0<b&&(c=ED(a.gb[d]),c!=b))continue;c=a.gb[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.u+ba+c.v,h=1;h<=c.u;++h){j=hD(c,h);c.o.N&&0<c.y[h]&&(j+=Ub,1<c.y[h]&&(j+=c.y[h]));0!=c.B[h]&&(0<c.B[h]?j+=ya:j+=Ca,1<Lj(c.B[h])&&(j+=Lj(c.B[h])));g=-1;for(f=1;f<=c.z;++f)if(c.r[f][0]==h){g=c.r[f][1];break}c.o.Ob&&0<c.e[h]&&(g=1);-1<g&&(j+=lb+g);o+=ba+j+ba+iE(0.055999999999999994*c.K[h],0,2)+ba+iE(0.055999999999999994*-c.N[h],
-0,2)}for(h=1;h<=c.v;++h)f=c.I[h],g=c.J[h],n=c.t[h],1==c.C[h]?n=-1:2==c.C[h]?n=-2:3==c.C[h]?(n=-1,j=f,f=g,g=j):4==c.C[h]?(n=-2,j=f,f=g,g=j):10==c.C[h]&&(n=-5),9==c.t[h]&&(n=c.C[h]),o+=ba+f+ba+g+ba+n;c=o;0<c.length&&(0<e.length&&(e+=$g),e+=c)}return e}function rC(a,b){var c,d,e;e=l;for(c=1;c<=a.vb;++c){if(0<b&&(d=ED(a.gb[c]),d!=b))continue;d=void 0;d=jE(a.gb[c]);d=kE(d);0<d.length&&(0<e.length&&(e+=Xa),e+=d)}return e}
-function CC(a){var b;switch(a.P){case 5:case 7:case 9:break;default:null!=a.tb&&$B(a.tb,null)}var c,d,e;e=new lE;e.b=a.f;e.i=a.vb;c=!1;for(b=1;99>b;++b)if(d=a.gb[b])0<d.u&&(c=!0),e.e[b]=jE(d);else break;e.j=a.Gb;e.f=a.kb;e.c=a.C;e.d=a.P;if(b=c?e:null)a=a._,b=new mE(b),c=a.b.d,a.b.d=b,b.c=a.b,c&&(b.d=c,c.c=b),a.b=b}function xD(a,b,c,d){try{lD(a,b,d)?c&&CC(a):BC(a)}catch(e){if(e=Fi(e),A(e,78))BC(a);else throw e;}}
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-$f,!0),!g&&a.Gb&&fE(a,Bf,!0),g?(EC(a,1,j,1),EC(a,j+1,e-1,2),EC(a,e,a.vb,3)):EC(a,1,a.vb,0),c&&BC(a),d=!0)}d?CC(a):BC(a)}catch(q){if(q=Fi(q),A(q,78))BC(a);else throw q;}}function pE(a){AC(a);a.nb=!0;BC(a)}function mD(a,b){a.d=202;a.qb=!1;a.vb=0;a.f=0;a.$=new KC(a);a.$.s=0;a.cb=null;a.C=1;a.nb=!0;b&&BC(a);null!=a.tb&&$B(a.tb,null)}
-function uD(a,b){var c,d;a.f=b.b;a.vb=b.i;for(c=1;99>c;++c)(d=b.e[c])?a.gb[c]=jE(d):a.gb[c]=null;a.$=a.gb[a.f];a.Gb=b.j;a.kb=b.f;a.C=b.c;switch(b.d){case 5:case 7:case 9:break;default:null!=a.tb&&$B(a.tb,null)}}function qE(a,b){a.lb=!0;a.K=l;return 1>b||b>a.vb?(a.lb=!0,a.K="ERROR - invalid mol index: "+b,BC(a),null):a.gb[b]}
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-function SD(a){var b,c,d,e,f,g,j,h,n,o,r,q,u;n=-1;j=6;switch(a.o.d){case 206:j=3;break;case 207:j=4;break;case 208:case 221:case 223:j=5;break;case 210:case 209:j=6;break;case 211:j=7;break;case 212:j=8;break;case 229:j=9}f=6.283185307179586/j;h=625*a.o.C*a.o.C/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.E)if(2>a.A[a.E])tG(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,Z(a,0),a.E=a.u,tG(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){sq(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
-return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[qG(a,a.E,a.H[a.E][d])],2<d||1!=b){sq(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(FC,m,-1,2,1);rG(a,a.E,h,b);e=a.K[a.E]-b[0];g=a.N[a.E]-b[1];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;for(d=1;d<=j;++d)WD(a),r=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*g)}else if(0<a.F){b=a.I[a.F];c=a.J[a.F];d=0;2==a.A[b]?a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]:2==a.A[c]&&(a.H[c][1]!=
-b?d=a.H[c][1]:d=a.H[c][2],o=b,b=c,c=o);0==d&&(a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]);e=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;r=o/2;u=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.N[d]-a.N[b])*e-(a.K[d]-a.K[b])*g&&(u=-u,o=0);q=a.K[b]+r*e-u*g;u=a.N[b]+u*e+r*g;for(d=1;d<=j;++d)WD(a),r=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=u+h*(Math.cos(r)*e+Math.sin(r)*g),1==o?(d==j&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j-1&&(a.K[a.u]=
-a.K[c],a.N[a.u]=a.N[c])):(d==j-1&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j&&(a.K[a.u]=a.K[c],a.N[a.u]=a.N[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)WD(a),r=f*(d-b),a.K[a.u]=a.M+h*Math.sin(r),a.N[a.u]=a.P+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)cE(a),a.t[a.v]=1,h=a.u-b+f,a.A[h]=2,a.I[a.v]=h,a.J[a.v]=h+1;a.J[a.v]=a.u-b+1;if(209==a.o.d){if(a.t[a.v-4]=2,a.t[a.v-2]=2,a.t[a.v]=2,0<a.F)if(1==a.t[a.F]){if(b=0,1<a.A[a.I[a.F]]&&(b=a.H[a.I[a.F]][1],h=a.I[a.F],b==a.J[a.F]&&(b=a.H[a.I[a.F]][2])),0==b&&1<a.A[a.J[a.F]]&&
-(b=a.H[a.J[a.F]][1],h=a.J[a.F],b==a.J[a.F]&&(b=a.H[a.J[a.F]][2])),0<b)for(f=1;f<=a.v;++f)if(a.I[f]==b&&a.J[f]==h||a.I[f]==h&&a.J[f]==b){1!=a.t[f]&&(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=3);break}}else a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=2}else if(221==a.o.d||223==a.o.d)if(0<a.F){if(1==a.t[a.F]){b=!1;for(f=1;f<=a.A[a.I[a.F]];++f)if(h=a.H[a.I[a.F]][f],1<a.t[qG(a,a.I[a.F],h)]){b=!0;break}for(f=1;f<=a.A[a.J[a.F]];++f)if(h=a.H[a.J[a.F]][f],
-1<a.t[qG(a,a.J[a.F],h)]){b=!0;break}b||(a.t[a.F]=2)}a.t[a.v-4]=2;a.c[a.u-2]=5}else 0<a.E?221==a.o.d?(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v-1]=1,a.t[a.v-3]=2,a.t[a.v]=2,a.c[a.u-1]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5);h=y(I,s,-1,a.u+1,1);for(f=1;f<=j;++f)b=a.u-j+f,c=a.v-j+f,a.H[b][1]=b-1,a.H[b][2]=b+1,b=a.I[c],e=a.J[c],a.L[c]=O(N(cD((a.K[b]+a.K[e])/2))),a.O[c]=O(N(cD((a.N[b]+a.N[e])/
-2)));a.H[a.u-j+1][1]=a.u;a.H[a.u][2]=a.u-j+1;for(f=a.u-j+1;f<=a.u;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.u-j;++b)e=a.K[f]-a.K[b],d=a.N[f]-a.N[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.E||c==a.E)&&(h[f]=c)}g=a.v-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.I[f],e=a.J[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.I[c]==h[b]&&a.J[c]==h[e]||a.J[c]==h[b]&&a.I[c]==h[e])continue a;cE(a);a.t[a.v]=a.t[f];a.I[a.v]=h[b];a.H[h[b]][++a.A[h[b]]]=h[e];a.J[a.v]=h[e];a.H[h[e]][++a.A[h[e]]]=h[b];a.L[a.v]=O(N(cD((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
-2)));a.O[a.v]=O(N(cD((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(cE(a),a.t[a.v]=a.t[f],a.I[a.v]=h[b],a.H[h[b]][++a.A[h[b]]]=e,a.J[a.v]=e,a.H[e][++a.A[e]]=h[b],a.L[a.v]=O(N(cD((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(cD((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(cE(a),a.t[a.v]=a.t[f],a.I[a.v]=h[e],a.H[h[e]][++a.A[h[e]]]=b,a.J[a.v]=b,a.H[b][++a.A[b]]=h[e],a.L[a.v]=O(N(cD((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(cD((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2))));d=a.u-j;for(f=a.u;f>d;--f)if(0<
-h[f]&&(GD(a,f),3==a.c[h[f]])){o=0;for(b=1;b<=a.A[h[f]];++b){e=a.H[h[f]][b];for(c=1;c<=a.v;++c)(a.I[c]==h[f]&&a.J[c]==e||a.I[c]==e&&a.J[c]==h[f])&&(o+=a.t[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.t[c]=1}0<a.E&&sG(a,j);-1<n&&(a.E=n)}
-function tG(a,b,c,d){var e,f,g,j,h,n;0==a.A[a.E]?(e=0,f=1):(e=a.H[a.E][1],f=a.K[a.E]-a.K[e],e=a.N[a.E]-a.N[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.K[a.E]+d*f;n=a.N[a.E]+d*e;for(g=1;g<=b;++g)WD(a),j=c*g-1.5707963267948966,a.K[a.u]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.N[a.u]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function sG(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=ZD(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
-function qG(a,b,c){var d;for(d=1;d<=a.v;++d)if(a.I[d]==b&&a.J[d]==c||a.I[d]==c&&a.J[d]==b)return d;return 0}function uG(a,b,c){var d,e,f,g;e=bh;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(Ts(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)Ts(c[d])&&!us(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)Ns(c[d],e)&&(b[d]=g,c[d]=bh,++f);if(f==a.u)break}return g==a.u}
-function HC(a){var b,c,d;b=y(FC,m,-1,4,1);d=c=0;a.o&&a.o.D&&0<a.o.D.c&&(c=a.o.D.c-a.o.Z,d=a.o.D.b-3*a.o.Z);if(0>=c||0>=d)a.x=!0;else{GC(a,b);c=~~(c/2)-O(N(Math.round(b[0])));d=~~(d/2)-O(N(Math.round(b[1])));if(!a.o.rb)for(b=1;b<=a.u;++b)a.K[b]+=c,a.N[b]+=d;IC(a)}}
-function GC(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.u;++c)a.K[c]<f&&(f=a.K[c]),a.K[c]>d&&(d=a.K[c]),a.N[c]<g&&(g=a.N[c]),a.N[c]>e&&(e=a.N[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
-function RD(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=vG(a,b),-1==d&&0==c&&(0==a.B[b]?a.B[b]=1:1==a.B[b]?a.B[b]=-1:-1==a.B[b]&&(a.B[b]=0)),a.c[b]){case 2:2<d&&sq(a.o,"Charge change not possible on this boron !");0==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0);break;case 3:3<d?sq(a.o,"Charge change not possible on this carbon !"):4>d&&(0==a.B[b]?a.B[b]=-1:-1==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0));break;case 4:case 7:3<d?sq(a.o,"Charge change not possible on multibonded N or P !"):
-3==d&&0==a.B[b]?a.B[b]=1:3==d&&1==a.B[b]?a.B[b]=0:3>d&&0==a.B[b]?a.B[b]=1:3>d&&1==a.B[b]?a.B[b]=-1:3>d&&-1==a.B[b]&&(a.B[b]=0);break;case 5:case 8:case 13:2<d?sq(a.o,"Charge change not possible on multibonded O or S !"):2==d&&0==a.B[b]?a.B[b]=1:2==d&&1==a.B[b]?a.B[b]=0:2>d&&0==a.B[b]?a.B[b]=-1:2>d&&-1==a.B[b]?a.B[b]=1:2>d&&1==a.B[b]&&(a.B[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.B[b]?a.B[b]=-1:0==d&&-1==a.B[b]?a.B[b]=0:sq(a.o,"Charge change not possible on the halogen !");break;case 18:sq(a.o,
-"Use X button to change charge on the X atom !")}}
-function sD(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(I,s,-1,a.u+1,1);;){for(e=1;e<=a.u;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=y(I,s,-1,f+1,1);for(c=1;c<=a.u;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.u;1<=c;--c)a.b[c]!=d&&GD(a,c);HC(a);sq(a.o,"Smaller part(s) removed !");return 1}
-function ZD(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.u;++e)b!=e&&(c=a.K[b]-a.K[e],d=a.N[b]-a.N[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
-function dE(a){var b,c,d;for(d=1;d<=a.v;++d){b=a.I[d];c=a.J[d];if(1==a.B[b]&&-1==a.B[c]||-1==a.B[b]&&1==a.B[c])if(1==a.t[d]||2==a.t[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.o.zb)continue;if(1==a.c[b]||1==a.c[c])continue;if(2==a.c[b]||2==a.c[c])continue;if(9==a.c[b]||10==a.c[b]||11==a.c[b]||12==a.c[b]||9==a.c[c]||10==a.c[c]||11==a.c[c]||12==a.c[c])continue;a.B[b]=0;a.B[c]=0;++a.t[d];ID(a)}1==a.B[b]&&1==a.B[c]&&(2==a.t[d]?a.t[d]=1:3==a.t[d]&&(a.t[d]=2),ID(a));4==a.t[d]&&(a.t[d]=1)}}
-function pG(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 FD(a){var b;wG(a);b=a.t.length;a.L=y(I,s,-1,b,1);a.O=y(I,s,-1,b,1);IC(a);ID(a)}
-function WD(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(I,s,-1,c,1),JF(a.c,b,a.c.length),a.c=b,b=y(I,s,-1,c,1),JF(a.B,b,a.B.length),a.B=b,b=y(I,s,-1,c,1),JF(a.y,b,a.y.length),a.y=b,b=y(I,s,-1,c,1),JF(a.e,b,a.e.length),a.e=b,b=y(as,m,1,c,0),JF(a.d,b,a.d.length),a.d=b,b=y(as,m,1,c,0),JF(a.p,b,a.p.length),a.p=b,b=y(FC,m,-1,c,1),JF(a.K,b,a.K.length),a.K=b,b=y(FC,m,-1,c,1),JF(a.N,b,a.N.length),a.N=b,b=Qr([c,7]),JF(a.H,b,a.H.length),a.H=b,c=y(I,s,-1,c,1),JF(a.A,c,a.A.length),a.A=c);a.c[a.u]=
-3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function iD(a,b,c,d,e,f,g){var j;j=O(N(cD(a.K[c]-d/2)));g||(j-=e-d);a=O(N(cD(a.N[c]-~~(f/2))));return new zy(j-1-b,a-b,e+1+2*b,f+2*b)}
-function cE(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(I,s,-1,b,1),JF(a.I,c,a.I.length),a.I=c,c=y(I,s,-1,b,1),JF(a.J,c,a.J.length),a.J=c,c=y(I,s,-1,b,1),JF(a.t,c,a.t.length),a.t=c,c=y(I,s,-1,b,1),JF(a.C,c,a.C.length),a.C=c,c=y(I,s,-1,b,1),JF(a.L,c,a.L.length),a.L=c,c=y(I,s,-1,b,1),JF(a.O,c,a.O.length),a.O=c,b=y(as,m,1,b,0),JF(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
-function MD(a,b){var c,d,e,f,g,j,h;if(0==a.u)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(dC(),aa);j+="JME 2013-10-12 "+new XF+"\n \n";j+=LD(a.u,3)+LD(a.v,3);j+="  0  0  0  0  0  0  0  0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.u;++e)a.N[e]>g&&(g=a.N[e]),a.K[e]<c&&(c=a.K[e]);for(e=1;e<=a.u;++e){j+=iE(0.055999999999999994*(a.K[e]-c),10,4)+iE(0.055999999999999994*(g-a.N[e]),10,4)+iE(0,10,4);h=hD(a,e);1==h.length?h+="  ":2==h.length?h+=ba:3<h.length&&(h="Q  ");
-j+=ba+h;d=0;0<a.B[e]&&4>a.B[e]?d=4-a.B[e]:0>a.B[e]&&-4<a.B[e]&&(d=4-a.B[e]);h=" 0"+LD(d,3)+"  0  0  0  0  0  0  0";f=-1;for(d=1;d<=a.z;++d)if(a.r[d][0]==e){f=a.r[d][1];break}-1<f?h+=LD(f,3):h+="  0";j+=h+"  0  0\n"}for(e=1;e<=a.v;++e)g=a.t[e],1==a.t[e]?g=1:xG(a,e)&&(g=2),c=LD(a.I[e],3)+LD(a.J[e],3),d=0,1==a.t[e]&&1==a.C[e]?d=1:1==a.t[e]&&2==a.C[e]&&(d=6),1==a.t[e]&&3==a.C[e]&&(d=1,c=LD(a.J[e],3)+LD(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=LD(a.J[e],3)+LD(a.I[e],3)),j+=c+LD(g,3)+LD(d,3)+"  0  0  0\n";
-for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M  CHG  1"+LD(e,4)+LD(a.B[e],4)+aa);return j+"M  END\n"}
-function kE(a){var b,c,d,e,f,g,j,h,n,o,r,q,u,v,D,E,J,R,sb,W,M,ca,Bc,Xf,yb,Kd,Ld,Md,Va,Cc;r=y(I,s,-1,a.u+10,1);q=y(I,s,-1,a.u+10,1);n=y(I,s,-1,a.u+1,1);o=y(I,s,-1,7,1);yb=y(I,s,-1,a.u+1,1);v=y(yG,m,-1,a.u+1,2);D=y(yG,m,-1,a.v+1,2);ca=0;if(0==a.u)return l;sD(a,!0);Xf=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){Xf=!1;break}if(a.o.t&&Xf){zG(a);dE(a);AG(a,D);BG(a,v,D);var Fb,od,cf,Zb,te,pd,qd,gb,zH,Rd,w,xa,pm,qm,ws,jf,Na,rm,sm,Fc,tm;Fb=y(I,s,-1,a.u+1,1);od=y(I,s,-1,a.u+1,1);gb=y(CG,m,-1,a.u+1,3);var xs=a.u,um,
-kh,ys,ig,rj,Be,kf;rj=y(CG,m,-1,xs+2,3);Be=y(I,s,-1,100,1);kf=5;ig=0;Be[0]=3;rj[1]=dh;rj[2]=eh;ys=2;if(!(3>xs))for(;kf<Be[ig]*Be[ig];){kh=0;for(um=!0;um&&kh<=ig&&kf>=Be[kh]*Be[kh];)0==kf%Be[kh]?um=!1:++kh;if(um){rj[++ys]=Qs(kf);if(ys>=xs)break;ig<Be.length-1&&(++ig,Be[ig]=kf)}kf+=2}for(w=1;w<=a.u;++w){for(xa=sm=1;xa<=a.v;++xa)(a.I[xa]==w||a.J[xa]==w)&&(sm*=a.i[xa]);rm=a.c[w];18==rm&&(tm=a.p[w],pd=tm.charCodeAt(0)-65+1,qd=0,1<tm.length&&(qd=tm.charCodeAt(1)-97),0>pd&&(pd=0),0>qd&&(qd=0),rm=28*pd+qd);
-jf=0;-2>a.B[w]?jf=1:-2==a.B[w]?jf=2:-1==a.B[w]?jf=3:1==a.B[w]?jf=4:2==a.B[w]?jf=5:2<a.B[w]&&(jf=6);Fc=1;gb[w]=Qs(sm);Fc*=126;gb[w]=Ls(gb[w],Qs(a.y[w]*Fc));Fc*=7;gb[w]=Ls(gb[w],Qs(jf*Fc));Fc*=7;gb[w]=Ls(gb[w],Qs(rm*Fc));Fc*=783;gb[w]=Ls(gb[w],Qs(a.A[w]*Fc))}for(te=0;!uG(a,Fb,gb);){ws=!1;for(w=1;w<=a.u;++w)Fb[w]!=od[w]&&(od[w]=Fb[w],ws=!0);if(ws){for(w=1;w<=a.u;++w){gb[w]=ch;for(xa=1;xa<=a.A[w];++xa)gb[w]=Us(gb[w],rj[Fb[a.H[w][xa]]])}te=0}else if(0<te){for(w=1;w<=a.u;++w)gb[w]=ch;w=1;a:for(;w<=a.u-
-1;++w)for(xa=w+1;xa<=a.u;++xa)if(Fb[w]==Fb[xa]){gb[w]=dh;break a}}else{for(w=1;w<=a.u;++w){gb[w]=ch;for(xa=1;xa<=a.A[w];++xa)cf=a.H[w][xa],gb[w]=Us(gb[w],Qs(a.c[cf]*a.i[qG(a,w,cf)]))}te=1}uG(a,Fb,gb);for(w=1;w<=a.u;++w)gb[w]=Qs(od[w]*a.u+Fb[w])}for(w=1;w<=a.u;++w)od[w]=Fb[w];for(Na=1;Na<=a.u;++Na)for(w=1;w<=a.u;++w)if(od[w]==Na){a.c[0]=a.c[w];a.B[0]=a.B[w];a.K[0]=a.K[w];a.N[0]=a.N[w];a.A[0]=a.A[w];a.c[w]=a.c[Na];a.B[w]=a.B[Na];a.K[w]=a.K[Na];a.N[w]=a.N[Na];a.A[w]=a.A[Na];a.c[Na]=a.c[0];a.B[Na]=a.B[0];
-a.K[Na]=a.K[0];a.N[Na]=a.N[0];a.A[Na]=a.A[0];od[w]=od[Na];od[Na]=Na;a.p[0]=a.p[w];a.p[w]=a.p[Na];a.p[Na]=a.p[0];a.e[0]=a.e[w];a.e[w]=a.e[Na];a.e[Na]=a.e[0];a.d[0]=a.d[w];a.d[w]=a.d[Na];a.d[Na]=a.d[0];a.y[0]=a.y[w];a.y[w]=a.y[Na];a.y[Na]=a.y[0];break}for(w=1;w<=a.z;++w)a.r[w][0]=Fb[a.r[w][0]];for(w=1;w<=a.v;++w)a.I[w]=Fb[a.I[w]],a.J[w]=Fb[a.J[w]],a.I[w]>a.J[w]&&(Rd=a.I[w],a.I[w]=a.J[w],a.J[w]=Rd,1==a.C[w]?a.C[w]=3:2==a.C[w]?a.C[w]=4:3==a.C[w]?a.C[w]=1:4==a.C[w]&&(a.C[w]=2));for(w=1;w<a.v;++w){qm=pm=
-a.u;Zb=0;for(xa=w;xa<=a.v;++xa)a.I[xa]<pm?(pm=a.I[xa],qm=a.J[xa],Zb=xa):a.I[xa]==pm&&a.J[xa]<qm&&(qm=a.J[xa],Zb=xa);Rd=a.I[w];a.I[w]=a.I[Zb];a.I[Zb]=Rd;Rd=a.J[w];a.J[w]=a.J[Zb];a.J[Zb]=Rd;Rd=a.t[w];a.t[w]=a.t[Zb];a.t[Zb]=Rd;Rd=a.C[w];a.C[w]=a.C[Zb];a.C[Zb]=Rd;zH=a.f[w];a.f[w]=a.f[Zb];a.f[Zb]=zH}FD(a);ID(a);AG(a,D);BG(a,v,D)}else{AG(a,D);a.i=y(I,s,-1,a.v+1,1);for(u=1;u<=a.v;++u)a.i[u]=a.t[u]}c=1;a.b=y(I,s,-1,a.u+1,1);Cc=1;a.b[1]=1;for(W=0;;){M=0;for(u=1;u<=a.A[c];++u)if(g=a.H[c][u],0<a.b[g]){if(!(a.b[g]>
-a.b[c])&&g!=yb[c]){Bc=!0;for(J=1;J<=ca;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Bc=!1;break}Bc&&(++ca,r[ca]=c,q[ca]=g)}}else o[++M]=g;if(0==M){if(Cc==a.u)break;c=n[W--]}else if(1==M)yb[o[1]]=c,c=o[1],a.b[c]=++Cc;else{n[++W]=c;e=0;for(u=1;u<=M;++u)if(h=qG(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=M;++u)if(h=qG(a,o[u],c),2==a.i[h]||3==a.i[h]){e=o[u];break}0==e&&(e=o[1]);yb[e]=c;c=e;a.b[e]=++Cc}}yb=y(I,s,-1,a.u+1,1);b=y(I,s,-1,a.u+1,1);R=y(yG,m,-1,a.u+1,2);Kd=y(yG,m,-1,a.u+1,2);f=Cc=W=0;for(u=
-1;u<=a.u;++u)if(1==a.b[u]){c=u;break}a:for(;;){0<f&&(yb[c]=f);b[++Cc]=c;for(a.b[c]=0;;){M=e=0;sb=a.u+1;u=1;b:for(;u<=a.A[c];++u){g=a.H[c][u];for(E=1;E<=ca;++E)if(r[E]==g&&q[E]==c||r[E]==c&&q[E]==g)continue b;0<a.b[g]&&(++M,a.b[g]<sb&&(e=g,sb=a.b[g]))}if(0==e){if(0==W)break a;Kd[c]=!0;c=n[W--]}else break}f=c;c=e;1<M&&(n[++W]=f,R[e]=!0)}Ld=y(I,s,-1,a.v+1,1);Md=y(I,s,-1,a.u+1,1);if(a.o.Pb){var BH=yb,zL=ca,zs,CH,lh,Ce,As,Bs,La,sj,Cs;lh=y(I,s,-1,a.u+1,1);for(La=1;La<=a.u;++La)lh[b[La]]=La;As=y(yG,m,-1,
-a.v+1,2);for(La=1;La<=a.u;++La)zs=b[La],CH=BH[zs],Ce=qG(a,zs,CH),0!=Ce&&(DG(a,Ce,lh,Ld,D),As[Ce]=!0);for(La=1;La<=a.v;++La)As[La]||DG(a,La,lh,Ld,D);La=1;a:for(;La<=a.u;++La)if(!(2>a.A[La]||4<a.A[La])){Bs=Cs=0;for(sj=1;sj<=a.A[La];++sj){Ce=qG(a,La,a.H[La][sj]);if(5==a.i[Ce])continue a;1==a.t[Ce]&&0!=EG(a,Ce,La)&&++Cs;2==a.t[Ce]&&(Bs=a.H[La][sj])}if(0!=Cs)if(0<Bs){var ia=a,EH=La,lf=lh,Tc=Md,lc=void 0,tj=void 0,Gc=void 0,De=void 0,Hc=void 0,vm=void 0,wm=void 0,xm=void 0,Sd=void 0,Uc=void 0,Vc=void 0,
-Ds=void 0,uj=void 0,Td=void 0,vj=void 0,Ee=void 0,wj=void 0,Es=void 0,xj=void 0,Fe=void 0,FH=void 0,mf=void 0,GH=void 0,Fs=void 0,yj=void 0,nf=void 0,Vc=1,tj=EH,lc=y(I,s,-1,ia.u+1,1);for(lc[1]=EH;;){Ds=!1;for(Uc=1;Uc<=ia.A[tj];++Uc)if(Gc=ia.H[tj][Uc],!(Gc==lc[1]||Gc==lc[Vc-1]))if(De=qG(ia,tj,Gc),2==ia.t[De]&&5!=ia.i[De]){tj=lc[++Vc]=Gc;Ds=!0;break}if(!Ds)break}if(!(0==Vc%2||2>ia.A[lc[Vc]]||3<ia.A[lc[Vc]])){nf=lc[1];Hc=lc[~~((Vc+1)/2)];Sd=lc[Vc];mf=Fe=Ee=Td=0;Fs=Es=!1;for(Uc=1;Uc<=ia.A[nf];++Uc)Gc=
-ia.H[nf][Uc],De=qG(ia,nf,Gc),1!=ia.t[De]||5==ia.i[De]||(0==Td?Td=Gc:Ee=Gc);0<lf[Ee]&&lf[Td]>lf[Ee]&&(vm=Td,Td=Ee,Ee=vm);uj=Td;0==Td&&(uj=Ee,Es=!0);for(Uc=1;Uc<=ia.A[Sd];++Uc)Gc=ia.H[Sd][Uc],De=qG(ia,Sd,Gc),1!=ia.t[De]||5==ia.i[De]||(0==Fe?Fe=Gc:mf=Gc);0<lf[mf]&&lf[Fe]>lf[mf]&&(vm=Fe,Fe=mf,mf=vm);xj=Fe;0==Fe&&(xj=mf,Fs=!0);vj=EG(ia,qG(ia,nf,Td),nf);wj=EG(ia,qG(ia,nf,Ee),nf);FH=EG(ia,qG(ia,Sd,Fe),Sd);GH=EG(ia,qG(ia,Sd,mf),Sd);1<(0>vj+wj?-(vj+wj):vj+wj)||0!=FH||0!=GH?sq(ia.o,"Bad stereoinfo on allene !"):
-(wm=ia.K[lc[Vc-1]]-ia.K[Sd],xm=ia.N[lc[Vc-1]]-ia.N[Sd],yj=Math.sqrt(wm*wm+xm*xm),0.001>yj&&(yj=0.001),0<(ia.N[xj]-ia.N[lc[Vc-1]])*(wm/yj)-(ia.K[xj]-ia.K[lc[Vc-1]])*(xm/yj)?Tc[Hc]=1:Tc[Hc]=-1,Es&&(Tc[Hc]*=-1),Fs&&(Tc[Hc]*=-1),uj==Td&&0>vj&&(Tc[Hc]*=-1),uj==Ee&&0>wj&&(Tc[Hc]*=-1),lf[uj]>lf[xj]&&(Tc[Hc]*=-1))}}else b:{var ub=a,Ya=La,Gs=BH,HH=lh,IH=r,JH=q,AL=zL,ym=Md,zm=void 0,Wc=void 0,Hs=void 0,mh=void 0,Aa=void 0,nh=void 0,sd=void 0,zj=void 0,Ud=void 0,Ob=void 0,ga=void 0,fa=void 0,Ge=void 0,Am=void 0,
-Xc=void 0,K=void 0,Bm=void 0,fa=y(I,s,-1,4,1),Am=y(I,s,-1,4,1),Aj=void 0,Yc=void 0,Cm=void 0,Dm=void 0,Is=void 0,Bj=void 0,Bj=-1;0<Gs[Ya]&&(fa[++Bj]=Gs[Ya]);for(Yc=1;Yc<=AL;++Yc)IH[Yc]==Ya&&(fa[++Bj]=JH[Yc]),JH[Yc]==Ya&&(fa[++Bj]=IH[Yc]);for(Yc=Bj+1;Yc<ub.A[Ya];++Yc){Is=ub.u+1;Cm=1;c:for(;Cm<=ub.A[Ya];++Cm){Aj=ub.H[Ya][Cm];for(Dm=0;Dm<Yc;++Dm)if(Aj==fa[Dm])continue c;HH[Aj]<Is&&(Is=HH[Aj],fa[Yc]=Aj)}}0==Gs[Ya]&&0<ub.y[Ya]?(fa[3]=fa[2],fa[2]=fa[1],fa[1]=fa[0],fa[0]=-1):0<ub.y[Ya]&&(fa[3]=fa[2],fa[2]=
-fa[1],fa[1]=-1);for(Aa=zj=nh=mh=Bm=sd=Ob=0;4>Aa;++Aa)0>=fa[Aa]||(zm=qG(ub,Ya,fa[Aa]),Am[Aa]=EG(ub,zm,Ya),0<Am[Aa]?(++Ob,Bm=fa[Aa],nh=fa[Aa]):0>Am[Aa]?(++sd,mh=fa[Aa],nh=fa[Aa]):zj=fa[Aa]);Ud=Ob+sd;K=y(I,s,-1,4,1);Xc=0;if(3==ub.A[Ya]){if(1==Ob&&1==sd||3==Ud&&0<Ob&&0<sd){sq(ub.o,"Error in C3H stereospecification !");break b}Ge=fa[0];1==Ud?Ge=nh:2==Ud&&(Ge=zj);ga=oG(ub,Ya,Ge,fa);K[0]=nh;K[1]=-1;K[2]=ga[2];K[3]=ga[1];0<Ob?Xc=1:Xc=-1}else if(4==ub.A[Ya])if(1==Ud)ga=oG(ub,Ya,nh,fa),K[0]=ga[0],K[1]=ga[3],
-K[2]=ga[2],K[3]=ga[1],0<Ob?Xc=1:Xc=-1;else{Ge=fa[0];1<zj&&(Ge=zj);1==Ob?Ge=Bm:1==sd&&(Ge=mh);ga=oG(ub,Ya,Ge,fa);Wc=y(I,s,-1,4,1);for(Aa=0;4>Aa;++Aa)zm=qG(ub,Ya,ga[Aa]),Wc[Aa]=EG(ub,zm,Ya);if(4==Ud){if(0==Ob||0==sd){sq(ub.o,"Error in C4 stereospecification !");break b}if(1==Ob||1==sd)K[0]=ga[0],K[1]=ga[3],K[2]=ga[2],K[3]=ga[1],Xc=Wc[0];else{for(Aa=0;4>Aa;++Aa)-1==Wc[Aa]&&(Wc[Aa]=0);Ud=2}}else if(3==Ud)if(3==Ob||3==sd)K[0]=ga[0],K[1]=ga[3],K[2]=ga[2],K[3]=ga[1],0<Ob?Xc=-1:Xc=1;else{1==Ob?Ob=Hs=1:sd=
-Hs=-1;for(Aa=0;4>Aa;++Aa)Wc[Aa]==Hs&&(Wc[Aa]=0);Ud=2}if(2==Ud)if(1==Ob&&1==sd)ga[1]==mh?(ga[1]=ga[2],ga[2]=ga[3]):ga[2]==mh&&(ga[2]=ga[3]),K[0]=Bm,K[1]=mh,K[2]=ga[2],K[3]=ga[1],Xc=1;else{if(Wc[0]==Wc[1]||Wc[1]==Wc[2]){sq(ub.o,"Error in C4 stereospecification ! 2/0r");break b}0!=Wc[0]?(K[0]=ga[0],K[1]=ga[2],K[2]=ga[1],K[3]=ga[3]):(K[0]=ga[1],K[1]=ga[3],K[2]=ga[2],K[3]=ga[0]);1<Ob?Xc=1:Xc=-1}}var pb=void 0;fa[0]==K[1]?(pb=K[0],K[0]=K[1],K[1]=pb,pb=K[2],K[2]=K[3],K[3]=pb):fa[0]==K[2]?(pb=K[2],K[2]=K[0],
-K[0]=pb,pb=K[1],K[1]=K[3],K[3]=pb):fa[0]==K[3]&&(pb=K[3],K[3]=K[0],K[0]=pb,pb=K[1],K[1]=K[2],K[2]=pb);fa[1]==K[2]?(pb=K[1],K[1]=K[2],K[2]=pb,pb=K[2],K[2]=K[3],K[3]=pb):fa[1]==K[3]&&(pb=K[1],K[1]=K[3],K[3]=pb,pb=K[2],K[2]=K[3],K[3]=pb);K[2]==fa[2]?ym[Ya]=1:K[2]==fa[3]?ym[Ya]=-1:sq(ub.o,"Error in stereoprocessing ! - t30");ym[Ya]*=Xc}}}Va=new IF;j=y(I,s,-1,a.u+1,1);for(u=1;u<=a.u;++u)j[b[u]]=u;for(u=1;u<=a.u;++u){c=b[u];R[c]&&(Va.b.b+=ua);0<yb[u]&&FG(a,c,yb[c],Va,Ld);var oh=v[c],Hb=void 0,Cj=void 0,
-ph=void 0,U=void 0,U=Oc,Hb=!1;0!=a.B[c]&&(Hb=!0);0!=Md[c]&&(Hb=!0);ph=-1;for(Cj=1;Cj<=a.z;++Cj)if(a.r[Cj][0]==c){ph=a.r[Cj][1];break}-1<ph&&(Hb=!0);a.o.Ob&&0<a.e[c]&&(Hb=!0,ph=1);switch(a.c[c]){case 2:U=Bb;break;case 3:oh?U="c":U=Eb;break;case 4:oh?(U=xf,0<a.y[c]&&(Hb=!0)):U=ec;break;case 5:oh?U="o":U=mc;break;case 7:oh?(U="p",0<a.y[c]&&(Hb=!0)):U=oc;break;case 8:oh?U=jg:U=zc;break;case 13:oh?U=mg:U=Dc;Hb=!0;break;case 6:U=Ec;Hb=!0;break;case 9:U=Qb;break;case 10:U=Kb;break;case 11:U=Db;break;case 12:U=
-Wb;break;case 1:U=Ub;Hb=!0;break;case 19:U=pc;Hb=!0;break;case 20:U=qc;Hb=!0;break;case 21:U=rc;Hb=!0;break;case 22:U=sc;Hb=!0;break;case 18:Hb=!0,U=a.p[c],(G(U,wa)||G(U,ad)||G(U,wb))&&(Hb=!1)}Hb&&(U=Pc+U,1==Md[c]?U+=vb:-1==Md[c]&&(U+="@@"),1==a.y[c]?U+=Ub:1<a.y[c]&&(U+=Ub+a.y[c]),0!=a.B[c]&&(0<a.B[c]?U+=ya:U+=Ca,1<Lj(a.B[c])&&(U+=Lj(a.B[c]))),-1<ph&&(U+=lb+ph),U+=Sc);hn(Va.b,U);for(E=1;E<=ca;++E)if(r[E]==c||q[E]==c)d=q[E],d==c&&(d=r[E]),j[c]<j[d]&&FG(a,r[E],q[E],Va,Ld),9<E&&(Va.b.b+="%"),gn(Va,l+
-(new T(E)).b);Kd[c]&&(Va.b.b+=va)}return Va.b.b}function jE(a){a=new sC(a);FD(a);return a}
-function GD(a,b){var c,d,e,f;f=0;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],c!=b&&d!=b&&(++f,a.I[f]=c,c>b&&--a.I[f],a.J[f]=d,d>b&&--a.J[f],a.t[f]=a.t[e],a.C[f]=a.C[e],a.L[f]=a.L[e],a.O[f]=a.O[e],a.f[f]=a.f[e]);a.v=f;for(e=b;e<a.u;++e){a.c[e]=a.c[e+1];a.B[e]=a.B[e+1];a.K[e]=a.K[e+1];a.N[e]=a.N[e+1];a.y[e]=a.y[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.p[e]=a.p[e+1];for(f=1;f<=a.A[e];++f)a.H[e][f]=a.H[e+1][f]}--a.u;if(0==a.u)JC(a.o);else{for(e=1;e<=a.u;++e){d=0;for(f=1;f<=a.A[e];++f)c=a.H[e][f],
-c==b?++a.y[e]:(c>b&&--c,a.H[e][++d]=c);a.A[e]=d}e=1;a:for(;e<=a.z;++e)if(a.r[e][0]==b){for(f=e;f<a.z;++f)a.r[f][0]=a.r[f+1][0],a.r[f][1]=a.r[f+1][1];--a.z;break a}for(e=1;e<=a.z;++e)a.r[e][0]>b&&--a.r[e][0]}}
-function HD(a,b){var c,d,e,f;c=a.I[b];d=a.J[b];for(e=b;e<a.v;++e)a.I[e]=a.I[e+1],a.J[e]=a.J[e+1],a.t[e]=a.t[e+1],a.C[e]=a.C[e+1],a.L[e]=a.L[e+1],a.O[e]=a.O[e+1],a.f[e]=a.f[e+1];--a.v;f=0;for(e=1;e<=a.A[c];++e)a.H[c][e]!=d&&(a.H[c][++f]=a.H[c][e]);a.A[c]=f;f=0;for(e=1;e<=a.A[d];++e)a.H[d][e]!=c&&(a.H[d][++f]=a.H[d][e]);a.A[d]=f;c<d&&(f=c,c=d,d=f);0==a.A[c]&&GD(a,c);0==a.A[d]&&GD(a,d)}
-function zG(a){var b,c,d;if(!a.o.O){c=a.u;a:for(;1<=c;--c)if(d=a.H[c][1],1==a.c[c]&&1==a.A[c]&&0==a.B[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.z;++b)if(a.r[b][0]==c)continue a;b=qG(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&GD(a,c)}}}function wG(a){var b;b=a.c.length;a.H=Qr([b,7]);a.A=y(I,s,-1,b,1);for(b=1;b<=a.u;++b)a.A[b]=0;for(b=1;b<=a.v;++b)6>a.A[a.I[b]]&&(a.H[a.I[b]][++a.A[a.I[b]]]=a.J[b]),6>a.A[a.J[b]]&&(a.H[a.J[b]][++a.A[a.J[b]]]=a.I[b])}
-function BG(a,b,c){var d,e,f,g,j,h,n,o,r;a.i=y(I,s,-1,a.v+1,1);r=y(yG,m,-1,a.u+1,2);for(h=1;h<=a.u;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[qG(a,h,a.H[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.A[h]+a.y[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:r[h]=!0;break;case 18:0==a.p[h].indexOf(wb)?r[h]=!1:r[h]=!0}}if(a.n){var q;d=y(yG,m,-1,a.u+1,2);e=!1;for(h=1;h<=a.v;++h)f=a.I[h],g=a.J[h],d[f]=!0,d[g]=!0,(18==a.c[f]||18==a.c[g])&&(e=!0);if(e){h=1;a:for(;h<=a.v;++h)if(c[h]){f=
-a.I[h];g=a.J[h];e=y(yG,m,-1,a.u+1,2);for(n=1;n<=a.A[f];++n)j=a.H[f][n],j!=g&&d[j]&&(e[j]=!0);for(q=!1;;){for(n=1;n<=a.u;++n){q=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.A[n];++o){j=a.H[n][o];if(j==g){for(f=1;f<=a.u;++f)e[f]&&(5==a.c[f]&&(a.c[f]=18,a.p[f]="#8"),4==a.c[f]&&(a.c[f]=18,a.p[f]="#7"),8==a.c[f]&&(a.c[f]=18,a.p[f]="#16"));continue a}!e[j]&&d[j]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:xG(a,j)?a.i[j]=2:3==a.t[j]&&(a.i[j]=3);j=1;a:for(;j<=a.v;++j)if(c[j]&&(f=a.I[j],
-g=a.J[j],r[f]&&r[g])){d=y(yG,m,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&r[h]&&h!=f)for(n=1;n<=a.A[h];++n){e=a.H[h][n];if(e==g){b[f]=!0;b[g]=!0;a.i[j]=5;continue a}!d[e]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function IC(a){var b,c,d;for(d=1;d<=a.v;++d)b=a.I[d],c=a.J[d],a.L[d]=O(N(cD((a.K[b]+a.K[c])/2))),a.O[d]=O(N(cD((a.N[b]+a.N[c])/2)))}function AG(a,b){var c;for(c=1;c<=a.v;++c)jD(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
-function hD(a,b){var c;c=(dC(),jC)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function xG(a,b){return 2==a.t[b]?!0:!1}function jD(a,b,c){var d,e,f,g;g=1;a.b=y(I,s,-1,a.u+1,1);for(d=1;d<=a.u;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.A[b];++d)a.H[b][d]!=c&&(a.b[a.H[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.u;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.A[d];++e)0==a.b[a.H[d][e]]&&(a.b[a.H[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
-function UD(a){var b,c;a.o.S=!0;if(a.o.Ob)a.k=-1,0==a.e[a.E]?a.e[a.E]=4:a.e[a.E]=0;else{for(b=1;b<=a.z;++b)if(a.E==a.r[b][0]){if(-1==a.o.z){for(;b<a.z;++b)a.r[b][0]=a.r[b+1][0],a.r[b][1]=a.r[b+1][1];--a.z}else c=a.o.z,a.o.r&&(a.o.hb||++a.s,c=a.s),a.r[b][1]=c;return}b=a.r.length;++a.z>b-1&&(b=Qr([b+5,2]),JF(a.r,b,a.r.length),a.r=b);a.r[a.z][0]=a.E;c=a.o.z;a.o.r&&(a.o.hb||++a.s,c=a.s);a.r[a.z][1]=c}}function DD(a){var b;a.z=0;a.s=0;kE(a);for(b=1;b<=a.u;++b)a.E=b,UD(a);a.E=0}
-function ED(a){var b,c;b=y(FC,m,-1,4,1);GC(a,b);c=a.o.D.c;a.o.A||(c-=a.o.Z);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function zC(a,b){var c,d,e,f,g,j,h,n;c=y(FC,m,-1,4,1);GC(a,c);d=c[0];e=c[1];j=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.u;++g)h=a.K[g]*f+a.N[g]*j,n=-a.K[g]*j+a.N[g]*f,a.K[g]=h,a.N[g]=n;GC(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
-function gE(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.v;++d)b=a.K[a.I[d]]-a.K[a.J[d]],c=a.N[a.I[d]]-a.N[a.J[d]],f+=Math.sqrt(b*b+c*c);0<a.v?(f/=a.v,e=25*a.o.C/f):1<a.u&&(e=75*a.o.C/Math.sqrt((a.K[1]-a.K[2])*(a.K[1]-a.K[2])+(a.N[1]-a.N[2])*(a.N[1]-a.N[2])));for(d=1;d<=a.u;++d)a.K[d]*=e,a.N[d]*=e}
-function KD(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Pc)&&CF(c,Sc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.p[b]=c,a.y[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(nb)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(lb);e=c.indexOf(Ub);g=Kj(c.indexOf(ya),c.indexOf(Ca));if(-1<d){j=Sn(c,d+1);try{a.o.z=DB(j,10)}catch(h){if(h=Fi(h),A(h,78))a.o.z=0;else throw h;}a.E=b;UD(a);c=c.substr(0,d-0);a.E=0}if(f)a.p[b]=c,a.c[b]=18,a.y[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
-g-0));a.c[b]=G(d,Eb)?3:G(d,Bb)?2:G(d,ec)?4:G(d,mc)?5:G(d,oc)?7:G(d,zc)?8:G(d,Qb)?9:G(d,Kb)?10:G(d,Db)?11:G(d,Wb)?12:G(d,Ub)?1:G(d,Dc)?13:G(d,Ec)?6:G(d,pc)?19:G(d,qc)?20:G(d,rc)?21:G(d,sc)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=BF(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=BF(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=BF(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=BF(c,g++);for(;45==e;)--d,e=BF(c,g++)}a.B[b]=d}}}
-function rD(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new ZB(b);try{for(;b.k=SB(b,b.b),b.k<b.j;)d=pD(DB(VB(b),10)).b,c=e=pD(DB(VB(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Fi(f),A(f,78))en(f);else throw f;}}function FG(a,b,c,d,e){b=qG(a,b,c);5!=a.i[b]&&xG(a,b)?d.b.b+=qb:3==a.t[b]?d.b.b+=ma:9==a.t[b]?(e=tb,a=a.f[b],null!=a&&(e=a),hn(d.b,e)):1==e[b]?d.b.b+=Za:-1==e[b]&&(d.b.b+=Rc)}
-function VD(a,b){var c,d;if(1==a.t[b])if(c=a.I[b],d=a.J[b],2>a.A[c]&&2>a.A[d])a.C[b]=0,sq(a.o,"Stereomarking meaningless on this bond !");else switch(a.C[b]){case 0:a.A[d]<=a.A[c]?a.C[b]=1:a.C[b]=3;break;case 1:a.C[b]=2;break;case 2:2<a.A[d]?a.C[b]=3:a.C[b]=1;break;case 3:a.C[b]=4;break;case 4:2<a.A[c]?a.C[b]=1:a.C[b]=3}else 2==a.t[b]?10==a.C[b]?a.C[b]=0:a.C[b]=10:sq(a.o,"Stereomarking allowed only on single and double bonds!")}
-function DG(a,b,c,d,e){var f,g,j,h,n,o,r,q,u;if(!(2!=a.t[b]||5==a.i[b])&&(10==a.C[b]||a.o.q&&!e[b]))if(e=a.I[b],f=a.J[b],!(2>a.A[e]||2>a.A[f]||3<a.A[e]||3<a.A[f])){c[e]>c[f]&&(g=e,e=f,f=g);r=o=b=0;q=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=qG(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=qG(a,e,r),0!=d[h]?b=r:1==a.t[h]&&5!=a.i[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
-r=j,j=g);h=qG(a,f,r);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=r);0==o&&(h=qG(a,f,j),1==a.t[h]&&5!=a.i[h]&&(o=j));if(!(0==b||0==o))if(h=a.K[f]-a.K[e],g=a.N[f]-a.N[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,r=(a.N[b]-a.N[e])*h-(a.K[b]-a.K[e])*g,u=(a.N[o]-a.N[e])*h-(a.K[o]-a.K[e])*g,2>(0>=r?0-r:r)||2>(0>=u?0-u:u))sq(a.o,"Not unique E/Z geometry !");else{j=qG(a,b,e);f=qG(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.A[b];++n)if(g=a.H[b][n],g!=e&&(h=qG(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 vG(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=qG(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(xG(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function EG(a,b,c){var d;d=a.C[b];return 1>d||4<d?0:1==d&&a.I[b]==c?1:2==d&&a.I[b]==c?-1:3==d&&a.J[b]==c?1:4==d&&a.J[b]==c?-1:0}
-function ID(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=vG(c,d);if(-1==e)c.y[d]=0;else{switch(c.c[d]){case 1:2==e?c.B[d]=1:c.B[d]=0;c.y[d]=0;break;case 2:3==e||5==e?(c.y[d]=0,c.B[d]=0):3>e?c.y[d]=3-e-c.B[d]:4==e?(c.B[d]=-1,c.y[d]=0):5<e&&(c.B[d]=e-5,c.y[d]=0);break;case 3:case 6:4>e?0<c.B[d]?c.y[d]=2-e+c.B[d]:0>c.B[d]?c.y[d]=2-e-c.B[d]:c.y[d]=4-e:(c.B[d]=e-4,c.y[d]=4-e+c.B[d]);break;case 4:case 7:3>e?c.y[d]=3-e+c.B[d]:3==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:(c.B[d]=
-4==e?1:6==e?-1:e-5,c.y[d]=0);break;case 5:2==e&&(0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0);2<e&&(c.B[d]=e-2);c.y[d]=2-e+c.B[d];break;case 8:case 13:2>e?c.y[d]=2-e+c.B[d]:2==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:3==e?2==c.A[d]?(c.B[d]=0,c.y[d]=1):(c.B[d]=1,c.y[d]=0):4==e?(c.B[d]=0,c.y[d]=0):5==e?(c.B[d]=0,c.y[d]=1):(c.B[d]=e-6,c.y[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.B[d]=e-1);c.y[d]=1-e+c.B[d];2<e&&(c.B[d]=0,c.y[d]=0);break;case 19:case 18:c.y[d]=
-0}0>c.y[d]&&(c.y[d]=0)}}}function KC(a){nG(this);this.o=a;this.z=this.v=this.u=0}
-function qD(a,b){var c,d,e,f,g,j,h;KC.call(this,a);f=l;j=nD(b);if(null!=j){h=new YB(b,j,!0);for(e=1;4>=e;++e)f=oD(h,j);g=pD(DB(Rn(f.substr(0,3)),10)).b;c=pD(DB(Rn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)WD(this),f=oD(h,j),this.K[e]=(new yF(vF(Rn(f.substr(0,10))))).b,this.N[e]=-(new yF(vF(Rn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Rn(f.substr(31,d-31)),KD(this,e,d),62<=f.length&&(f=Rn(f.substr(60,3)),0<f.length&&(f=pD(DB(f,10)).b,0<f&&(this.E=e,a.z=f,UD(this),this.E=0)));for(e=1;e<=c;++e)cE(this),
-f=oD(h,j),this.I[e]=pD(DB(Rn(f.substr(0,3)),10)).b,this.J[e]=pD(DB(Rn(f.substr(3,3)),10)).b,g=pD(DB(Rn(f.substr(6,3)),10)).b,1==g?this.t[e]=1:2==g?this.t[e]=2:3==g?this.t[e]=3:this.t[e]=9,d=0,11<f.length&&(d=pD(DB(Rn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.t[e]=1,this.C[e]=1),1==g&&6==d&&(this.t[e]=1,this.C[e]=2);wG(this);gE(this);HC(this);for(FD(this);(h.k=SB(h,h.b),h.k<h.j)&&!(null==(f=VB(h)));){if(0==f.indexOf("M  END"))break;if(0==f.indexOf("M  CHG")){g=new XB(f);VB(g);VB(g);j=pD(DB(VB(g),10)).b;
-for(e=1;e<=j;++e)c=pD(DB(VB(g),10)).b,this.B[c]=pD(DB(VB(g),10)).b}if(0==f.indexOf("M  APO")){g=new XB(f);VB(g);VB(g);j=pD(DB(VB(g),10)).b;for(e=1;e<=j;++e)c=pD(DB(VB(g),10)).b,f=pD(DB(VB(g),10)).b,this.E=c,Z(this,0),KD(this,this.u,pc+f),this.E=0}}zG(this);FD(this)}}
-function nE(a,b){var c,d,e,f,g;KC.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));CF(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new XB(b);d=pD(DB(VB(f),10)).b;e=pD(DB(VB(f),10)).b;for(c=1;c<=d;++c)g=VB(f),WD(this),KD(this,this.u,g),this.K[c]=(new yF(vF(VB(f)))).b,this.N[c]=-(new yF(vF(VB(f)))).b;for(c=1;c<=e;++c)if(cE(this),this.I[c]=pD(DB(VB(f),10)).b,this.J[c]=pD(DB(VB(f),10)).b,this.t[c]=pD(DB(VB(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
-1,this.C[c]=2;else if(-5==this.t[c])this.t[c]=2,this.C[c]=10;else if(11==this.t[c]||12==this.t[c]||13==this.t[c]||14==this.t[c])this.C[c]=this.t[c],this.t[c]=9;wG(this);gE(this);HC(this)}catch(j){j=Fi(j);if(A(j,78)){j.Ec();this.u=0;return}throw j;}zG(this);FD(this)}}
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