openchemlib 8.0.1 → 8.2.0

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Files changed (8) hide show
  1. package/README.md +3 -0
  2. package/core.d.ts +8 -5
  3. package/dist/openchemlib-core.js +142 -142
  4. package/dist/openchemlib-full.js +157 -156
  5. package/dist/openchemlib-full.pretty.js +7877 -6294
  6. package/dist/openchemlib-minimal.js +110 -110
  7. package/package.json +5 -4
  8. package/types.d.ts +99 -19
package/dist/openchemlib-minimal.js CHANGED
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.0.1
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- * @date 2022-08-15T14:40:00.239Z
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+ * @version v8.2.0
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+ * @date 2023-01-25T09:13:39.920Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -24,120 +24,120 @@
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e,f,g,h,i,j,k,l,m,n,o,p;l=b.b-b.a;o=b.d-b.c;i=$wnd.Math.sqrt(l*l+o*o);j=2*yP(fP($wnd.Math.round(i/(4*a.V))));m=l/(j-1);p=o/(j-1);if(j_.pk(a.I,j_.Bm(a.I,c,d))){e=-3;f=-3}else{e=a.o[c];f=a.o[d]}k=b.a-a.V/2;n=b.c-a.V/2;j_.Bd(a,e);for(h=0;h<(j/2|0);h++){j_.pr(a,k,n,a.V);k+=m;n+=p}j_.Bd(a,f);for(g=0;g<(j/2|0);g++){j_.pr(a,k,n,a.V);k+=m;n+=p}j_.Bd(a,a.N)};j_.Sc=function Sc(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;i=(b.c-b.d)/9;n=(b.b-b.a)/9;j=b.b+i;o=b.d+n;k=b.b-i;p=b.d-n;l=(b.a+j)/2;q=(b.c+o)/2;m=(b.a+k)/2;r=(b.c+p)/2;g=new q_.lw(3);h=new q_.lw(4);q_.kw(g,b.a,b.c);q_.kw(g,l,q);q_.kw(g,m,r);q_.kw(h,m,r);q_.kw(h,l,q);q_.kw(h,j,o);q_.kw(h,k,p);if(j_.pk(a.I,j_.Bm(a.I,c,d))){e=-3;f=-3}else{e=a.o[c];f=a.o[d];if(a.I.M!=1){f=j_.Wc(a,c);e==j_.rj(a.I,c)&&(e=f)}}j_.Bd(a,e);j_.nr(a,g);j_.Bd(a,f);j_.nr(a,h);j_.Bd(a,a.N)};j_.Tc=function Tc(a,b){var c,d;for(d=0;d<a.X.a.length;d++)a.t=q_.pw(a.t,k_.Qh(a.X,d));j_.Uc(a,b);c=0.1*b;a.t.c-=c;a.t.d-=c;a.t.b+=2*c;a.t.a+=2*c};j_.Uc=function Uc(a,b){var c,d,e,f,g,h,i;e=fK(e_.PO,v0,5,a.I.o,16,1);for(d=0;d<a.I.p;d++){if(j_.nk(a.I,d)){e[j_.Mj(a.I,0,d)]=true;e[j_.Mj(a.I,1,d)]=true}}g=new q_.qw;for(c=0;c<a.I.o;c++){f=pP(WO(j_.Cj(a.I,c),w0),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=j_.$g(a.O,j_.Ej(a.I,c));i=j_._g(a.O,j_.Fj(a.I,c));q_.ow(g,h-f,i-f,f*2,f*2);a.t=q_.pw(a.t,g)}}};j_.Vc=function Vc(a,b){var c;c=a.J!=0?a.J:a.A!=0?a.A:-1;return s_.nH(b,c)};j_.Wc=function Wc(a,b){var c,d;if((a.C&4224)!=0)return a.o[b];d=j_.Xc(a,b);if(d==-1){c=j_.jm(a.I,b);if(c!=-1){b=c;d=j_.Xc(a,b)}}if(d==-1)return a.o[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};j_.Xc=function Xc(a,b){var c,d,e;e=-1;d=-1;if((a.C&128)!=0)return e;if(j_.lk(a.I,b)){e=j_.vj(a.I,b);d=j_.uj(a.I,b)}c=j_.lm(a.I,b);if(c!=-1){e=j_.Rj(a.I,c);d=j_.Qj(a.I,c)}e!=-1&&e!=0&&(e|=d<<8);return e};
74
- j_.Yc=function Yc(a){var b,c,d,e,f;j_.sr(a,2*a.P);e=new j_.Jd;for(d=0;d<a.I.p;d++){b=j_.Mj(a.I,0,d);c=j_.Mj(a.I,1,d);if(j_.nk(a.I,d)){e.a=j_.$g(a.O,j_.Ej(a.I,b));e.c=j_._g(a.O,j_.Fj(a.I,b));e.b=j_.$g(a.O,j_.Ej(a.I,c));e.d=j_._g(a.O,j_.Fj(a.I,c));j_.Bd(a,-2);f=n0+f_.uR(B_.zT(B_.wT(new B_.AT(e.a),(B_.sV(),B_.oV))))+o0+p0+f_.uR(B_.zT(B_.wT(new B_.AT(e.c),B_.oV)))+o0+q0+f_.uR(B_.zT(B_.wT(new B_.AT(e.b),B_.oV)))+o0+r0+f_.uR(B_.zT(B_.wT(new B_.AT(e.d),B_.oV)))+o0+s0+a.d+o0+t0+a.i+u0;j_.xr(a,f)}}};j_.Zc=function Zc(a){var b,c,d,e,f,g,h;if(a.I.I){g=a.T;j_.Bd(a,-7);for(b=0;b<a.I.d;b++)pP(WO(j_.Cj(a.I,b),w0),0)&&j_.pr(a,j_.$g(a.O,j_.Ej(a.I,b))-g,j_._g(a.O,j_.Fj(a.I,b))-g,2*g);j_.sr(a,2*a.T);f=new j_.Jd;for(e=0;e<a.I.p;e++){c=j_.Mj(a.I,0,e);d=j_.Mj(a.I,1,e);if(pP(WO(WO(j_.Cj(a.I,c),j_.Cj(a.I,d)),w0),0)){f.a=j_.$g(a.O,j_.Ej(a.I,c));f.c=j_._g(a.O,j_.Fj(a.I,c));f.b=j_.$g(a.O,j_.Ej(a.I,d));f.d=j_._g(a.O,j_.Fj(a.I,d));h=n0+f_.uR(B_.zT(B_.wT(new B_.AT(f.a),(B_.sV(),B_.oV))))+o0+p0+f_.uR(B_.zT(B_.wT(new B_.AT(f.c),B_.oV)))+o0+q0+f_.uR(B_.zT(B_.wT(new B_.AT(f.b),B_.oV)))+o0+r0+f_.uR(B_.zT(B_.wT(new B_.AT(f.d),B_.oV)))+o0+s0+a.d+o0+t0+a.i+u0;j_.xr(a,h)}}}};j_.$c=function $c(a){var b,c,d,e;if(a.I.I){j_.Bd(a,320);if((a.C&8)!=0)for(b=0;b<a.I.d;b++)pP(WO(j_.Cj(a.I,b),-536870913),0)&&j_.pr(a,j_.$g(a.O,j_.Ej(a.I,b))-a.W/2,j_._g(a.O,j_.Fj(a.I,b))-a.W/2,a.W);for(e=0;e<a.I.e;e++){if(j_.Wj(a.I,e)!=0){c=j_.Mj(a.I,0,e);d=j_.Mj(a.I,1,e);j_.pr(a,(j_.$g(a.O,j_.Ej(a.I,c))+j_.$g(a.O,j_.Ej(a.I,d))-a.W)/2,(j_._g(a.O,j_.Fj(a.I,c))+j_._g(a.O,j_.Fj(a.I,d))-a.W)/2,a.W)}}}};j_._c=function _c(a){a.G=1;a.O=new j_.ah;a.X=new k_.ci;a.R=new k_.ci;a.q=fK(e_.PO,v0,5,a.I.o,16,1);a.u=new q_.hw;a.N=0;a.w=-1;j_.Fd(a)};j_.ad=function ad(a,b){var c;if(j_.pm(a.I,b)==0)return false;for(c=0;c<j_.pm(a.I,b);c++)if(!j_.pk(a.I,j_.Fm(a.I,b,c)))return false;return true};j_.bd=function bd(a){var b;a.p=fK(e_.PO,v0,5,a.I.o,16,1);for(b=0;b<a.I.p;b++){a.p[j_.Mj(a.I,0,b)]=true;a.p[j_.Mj(a.I,1,b)]=true}};j_.cd=function cd(a,b){var c;if(j_.Em(a.I,b)!=2)return false;for(c=0;c<2;c++)if(j_.Gm(a.I,b,c)!=2)return false;return true};j_.dd=function dd(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o;m=false;e.a=0;e.b=0;d>0?(f=x0):(f=y0);o=j_.Lj(a.I,b,c);for(k=0;k<j_.Em(a.I,b);k++){g=j_.Fm(a.I,b,k);h=o;j_.Mj(a.I,0,g)==b?(l=j_.Mj(a.I,1,g)):(l=j_.Mj(a.I,0,g));if(l==c)continue;n=j_.Lj(a.I,b,l);h<n&&(h+=z0);i=h-n;if(d>0){i<A0&&(m=true);i>x0&&(i=x0);i<0.523598776&&(i=0.523598776);if(i<=f){f=i;j=a.Q*$wnd.Math.tan(f-B0)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}else{i>=A0&&(m=true);i<y0&&(i=y0);i>5.759586531&&(i=5.759586531);if(i>=f){f=i;j=a.Q*$wnd.Math.tan(4.712388981-f)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}}return m};j_.ed=function ed(a,b,c,d){var 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c,d,e,f;c=j_.oj(a.P,b);d=j_.Qm(a.P,b,false);e=j_.Qm(a.P,b,true);f=-1;if(d!=e){c!=-1&&c>d?(f=c<<24>>24):(f=d<<24>>24)}else if(c!=-1){(c>e||c<e&&c>=j_.Wm(a.P,b))&&(f=c<<24>>24)}else if(!j_.Vn(a.P,b)&&j_.Im(a.P,b)!=0){f=j_.Wm(a.P,b);f-=j_._j(a.P,b,f)}j_.Oe(a,b,f);return f};j_.te=function te(a){var b,c,d,e,f,g,h,i,j,k,l;d=fK(e_.zL,b0,5,a.M,15,1);for(b=0;b<a.P.d;b++){k=j_.Em(a.P,b)+j_.Tm(a.P,b);j=0;for(f=0;f<j_.qm(a.P,b);f++){if(f<j_.Em(a.P,b)||f>=j_.pm(a.P,b)){l=2*a.d[j_.Dm(a.P,b,f)];c=j_.Fm(a.P,b,f);j_.Uj(a.P,c)==2&&(j_.sn(a.P,c)||++l);for(h=0;h<j;h++)if(l<d[h])break;for(i=j;i>h;i--)d[i]=d[i-1];d[h]=l;++j}}j_.Zf(a.c[b],b);j_.Wf(a.c[b],a.b,gP(a.d[b]));for(g=k;g<a.M;g++)j_.Wf(a.c[b],a.b+1,0);for(e=0;e<k;e++)j_.Wf(a.c[b],a.b+1,e_.cP(d[e]))}};j_.ue=function ue(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o;if(a.bb[b]!=0)return false;if(j_.Hj(a.P,b)!=5&&j_.Hj(a.P,b)!=6&&j_.Hj(a.P,b)!=7&&j_.Hj(a.P,b)!=14&&j_.Hj(a.P,b)!=15&&j_.Hj(a.P,b)!=16)return false;if(j_.tm(a.P,b)!=0){if(j_.un(a.P,b))return j_.je(a,b,c);if(j_.Hj(a.P,b)!=15&&j_.Hj(a.P,b)!=16)return false}if(j_.Em(a.P,b)<3||j_.pm(a.P,b)>4)return false;if(j_.qj(a.P,b)>0&&j_.Hj(a.P,b)==6)return false;if(j_.Hj(a.P,b)==5&&j_.pm(a.P,b)!=4)return false;if(j_.Hj(a.P,b)==7&&!a.Q[b])return false;n=fK(e_.zL,b0,5,4,15,1);o=fK(e_.zL,b0,5,4,15,1);j=fK(e_.PO,v0,5,4,16,1);for(h=0;h<j_.pm(a.P,b);h++){f=-1;e=0;for(i=0;i<j_.pm(a.P,b);i++){if(!j[i]){if(f<a.d[j_.Dm(a.P,b,i)]){f=a.d[j_.Dm(a.P,b,i)];e=i}}}n[h]=e;o[h]=f;j[e]=true}if(j_.pm(a.P,b)==4&&o[0]==o[1]&&o[2]==o[3])return false;if(j_.pm(a.P,b)==4&&(o[0]==o[2]||o[1]==o[3]))return false;if(j_.pm(a.P,b)==3&&o[0]==o[2])return false;k=0;l=0;m=false;for(g=1;g<j_.pm(a.P,b);g++){if(o[g-1]==o[g]){if(c==1||o[g]==0)return false;k=j_.Dm(a.P,b,n[g-1]);l=j_.Dm(a.P,b,n[g]);c==3&&j_.Dn(a.P,j_.Fm(a.P,b,n[g]))&&(a.U[b]=true);m=true}}if(c!=1&&!m)return false;d=a.hb?j_.we(a,b,n):j_.ve(a,b,n);c==1?(a.bb[b]=d):c==2&&(d==1?j_.Xf(a.c[k],gP(a.d[b])):d==2&&j_.Xf(a.c[l],gP(a.d[b])));return true};j_.ve=function 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Tk(a,b,c){a.s[b]&=-98305;a.s[b]|=c<<15};j_.Uk=function Uk(a,b,c){a.q[b]=c;a.R=0};j_.Vk=function Vk(a,b,c){a.s[b]&=-449;a.s[b]|=c};j_.Wk=function Wk(a,b,c){c?(a.s[b]|=F1):(a.s[b]&=-67108865);a.R&=7};j_.Xk=function Xk(a,b,c){var d,e;if(c!=null){if(i_._$(c).length==0)c=null;else{d=j_.Zl(c);if(d!=0&&f_.xS(c,j_.Di[d])||f_.xS(c,'?')){j_.ll(a,b,d);c=null}}}if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=fK(e_.vL,I_,8,a.K,0,2));a.r[b]=i_.G$((e=c,i_.B$(),e))}};j_.Yk=function Yk(a,b,c){c!=null&&c.length==0&&(c=null);if(c==null){a.r!=null&&(a.r[b]=null)}else{a.r==null&&(a.r=fK(e_.vL,I_,8,a.K,0,2));a.r[b]=c}};j_.Zk=function Zk(a,b,c,d){var 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b,c,d;c=false;d=false;for(b=0;b<a.o;b++){if(a.v[b]!=0){a.v[b]=0;c=true;a.A[b]==1&&(d=true)}}d&&(a.R=0);return c};j_.Hl=function Hl(a,b,c){return j_.wk(a,b)||j_.wk(a,c)?32:1};j_.Il=function Il(a,b,c){var d,e,f,g,h,i;g=a.A[b];a.A[b]=a.A[c];a.A[c]=g;g=a.q[b];a.q[b]=a.q[c];a.q[c]=g;g=a.v[b];a.v[b]=a.v[c];a.v[c]=g;g=a.s[b];a.s[b]=a.s[c];a.s[c]=g;i=a.w[b];a.w[b]=a.w[c];a.w[c]=i;g=a.u[b];a.u[b]=a.u[c];a.u[c]=g;f=a.H[b];a.H[b]=a.H[c];a.H[c]=f;if(a.t!=null){h=a.t[b];a.t[b]=a.t[c];a.t[c]=h}if(a.r!=null){h=a.r[b];a.r[b]=a.r[c];a.r[c]=h}for(d=0;d<a.p;d++){for(e=0;e<2;e++){a.B[e][d]==b?(a.B[e][d]=c):a.B[e][d]==c&&(a.B[e][d]=b)}}a.R=0};j_.Jl=function Jl(a,b,c){var d;d=a.B[0][b];a.B[0][b]=a.B[0][c];a.B[0][c]=d;d=a.B[1][b];a.B[1][b]=a.B[1][c];a.B[1][c]=d;d=a.F[b];a.F[b]=a.F[c];a.F[c]=d;d=a.C[b];a.C[b]=a.C[c];a.C[c]=d;d=a.D[b];a.D[b]=a.D[c];a.D[c]=d;a.R=0};j_.Kl=function Kl(a,b,c){var d;for(d=0;d<a.o;d++){a.H[d].a+=b;a.H[d].b+=c}a.S+=b;a.T+=c};j_.Ll=function Ll(a,b,c){var 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em(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;j_.is(a,1);c&&(b=true);for(i=0;i<a.p;i++){j=j_.Uj(a,i);if(j==1||j==2){if(a.q[a.B[0][i]]>0&&a.q[a.B[1][i]]<0){f=a.B[0][i];g=a.B[1][i]}else if(a.q[a.B[0][i]]<0&&a.q[a.B[1][i]]>0){f=a.B[1][i];g=a.B[0][i]}else continue;if(j_.wk(a,f)||j_.wk(a,g))continue;if(a.A[f]<9&&j_.Wm(a,f)>3||a.A[g]<9&&j_.Wm(a,g)>3)continue;l=j_.Rm(a,f)!=0;a.q[f]-=1;a.q[g]+=1;if(!l){s=a.F[i];j==1?(a.F[i]=2):(a.F[i]=4);if(s==9||s==17){w=a.B[0][i];r=j_.Mn(a,w);if(a.B[0][r]!=w){a.B[1][r]=a.B[0][r];a.B[1][r]=w}}}a.R=0}}t=0;p=0;n=0;for(e=0;e<a.o;e++){t+=a.q[e];if(a.q[e]<0&&!j_.nn(a,e)){++p;j_.tk(a,e)&&(n-=a.q[e])}}if(!b&&t!=0)throw UO(new f_.WH("molecule's overall charges are not 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f,g,h,i,j;d&&j_.is(a,7);b.t=null;a.I&&j_.xl(b,true);i=c.length;e==null&&(e=fK(e_.zL,b0,5,i,15,1));b.o=0;for(f=0;f<i;f++)e[f]=c[f]?j_.aj(a,b,f,0,0):-1;b.p=0;for(j=0;j<a.p;j++){g=a.B[0][j];h=a.B[1][j];if(g<i&&h<i){if(c[g]&&c[h])j_.bj(a,b,j,0,0,e==null?a.B[0][j]:e[a.B[0][j]],e==null?a.B[1][j]:e[a.B[1][j]],d);else if(a.q[g]!=0&&a.q[h]!=0&&a.q[g]<0^a.q[h]<0){c[g]&&(b.q[e[g]]+=a.q[g]<0?1:-1);c[h]&&(b.q[e[h]]+=a.q[h]<0?1:-1)}}}j_.ej(a,b);!!a.b&&(b.R=0);b.R=0;j_.Ok(b,1);j_.Ok(b,2);b.o!=i&&j_.xl(b,true);d&&j_.Vd(new j_.de(b),null,false)};j_.hm=function hm(a,b,c,d,e){var 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c,d,e,f,g,h,i,j,k,l,m;if((b&~a.R)==0)return;if((a.R&1)==0){j_.ln(a);j_.dm(a);a.R|=1;if(j_.Yn(a)){j_.ln(a);j_.dm(a)}}if((b&~a.R)==0)return;if((a.R&-7)!=0){for(d=0;d<a.d;d++)a.s[d]&=-31753;for(g=0;g<a.e;g++)a.C[g]&=-961;if((b&4)==0){j_.nm(a,1);a.R|=2;return}j_.nm(a,7);for(f=0;f<a.e;f++){if(a.F[f]==64){a.s[a.B[0][f]]|=D0;a.s[a.B[1][f]]|=D0;a.C[f]|=256;a.C[f]|=512}}for(e=0;e<a.d;e++){for(l=0;l<a.g[e];l++){j=a.i[e][l];if((a.C[j]&256)!=0)continue;i=a.f[e][l];for(m=0;m<a.g[i];m++){if(a.i[i][m]==j)continue;a.j[i][m]>1&&(a.A[a.f[i][m]]==6?(a.s[e]|=b1):!j_.sn(a,a.i[i][m])&&j_.tk(a,a.f[i][m])&&(a.s[e]|=C0))}}}while(true){k=false;for(c=0;c<a.d;c++){if(a.k[c]>0&&(20480&a.s[c])==C0){for(l=0;l<a.g[c];l++){if(a.j[c][l]>1){i=a.f[c][l];j=a.i[c][l];for(m=0;m<a.g[i];m++){if(a.i[i][m]!=j){h=a.f[i][m];if((a.s[h]&C0)==0){a.s[h]|=C0;k=true}}}}}}}if(!k)break}}a.R|=6};j_.jm=function jm(a,b){var c,d,e,f,g;c=-1;if(a.k[b]==1){for(f=0;f<a.g[b];f++){if(a.j[b][f]==2){d=a.f[b][f];if(a.g[d]==2&&a.k[d]==2){for(g=0;g<2;g++){e=a.f[d][g];if(e!=b&&a.k[e]==1){c=d;break}}}break}}}return c};j_.km=function km(a,b,c){var d,e;d=b;while(a.g[c]==2&&a.k[c]==2&&c!=d){e=c;c=a.f[c][0]==b?a.f[c][1]:a.f[c][0];b=e}return c==d?-1:c};j_.lm=function lm(a,b){var c;if(a.g[b]==3&&(a.s[b]&D0)!=0&&(!!a.n&&b<a.d?j_.$p(a.n,b):0)>=5)for(c=0;c<a.g[b];c++)if(j_.tn(a,a.i[b][c]))return a.i[b][c];return -1};j_.mm=function mm(a,b,c,d,e){var f,g,h,i,j,k;j_.is(a,7);if((a.s[b]&B1)==0||c&&(a.s[b]&D0)==0)return;i=fK(e_.zL,b0,5,a.d,15,1);i[0]=b;d[b]=true;h=0;j=0;while(h<=j){for(k=0;k<a.g[i[h]];k++){g=a.i[i[h]][k];if(!e[g]&&(a.C[g]&64)!=0&&(!c||(a.C[g]&256)!=0)){e[g]=true;f=a.f[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};j_.nm=function nm(a,b){var c,d,e,f,g,h,i,j,k;a.n=new 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c,d;c=a.g[b];for(d=0;d<a.g[b];d++)a.A[a.f[b][d]]==1&&--c;return c};j_.Wm=function Wm(a,b){var c,d,e,f,g,h;a.vb(1);g=false;d=false;h=0;for(e=0;e<a.c[b];e++){if(!a.I||eP(WO(a.w[a.f[b][e]],w0),0)){f=a.j[b][e];h+=f;f>1&&(g=true);c=a.i[b][e];a.F[c]==64&&(d=true)}}d&&!g&&++h;return h};j_.Xm=function Xm(a,b,c){var d,e,f;e=0;for(f=0;f<a.g[b];f++){d=a.f[b][f];d!=c&&a.g[d]>2&&++e}return e};j_.Ym=function Ym(a,b,c,d,e,f){var g,h,i,j,k,l,m,n,o;if(c==d){b[0]=c;return 0}j_.is(a,1);j=fK(e_.zL,b0,5,a.o,15,1);i=fK(e_.zL,b0,5,a.o,15,1);o=fK(e_.zL,b0,5,a.o,15,1);i[0]=c;j[c]=1;h=0;k=0;while(h<=k&&j[i[h]]<=e){n=i[h];for(l=0;l<a.c[n];l++){if(f==null||f.length<=a.i[n][l]||!f[a.i[n][l]]){g=a.f[n][l];if(g==d){m=j[n];b[m]=g;b[--m]=n;while(m>0){b[m-1]=o[b[m]];--m}return j[n]}if(j[g]==0){i[++k]=g;j[g]=j[n]+1;o[g]=n}}}++h}return -1};j_.Zm=function Zm(a,b,c,d){var e,f;j_.is(a,1);for(e=0;e<d;e++){for(f=0;f<a.c[b[e]];f++){if(a.f[b[e]][f]==b[e+1]){c[e]=a.i[b[e]][f];break}}}};j_.$m=function $m(a,b,c){var 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c,d,e,f;j_.is(a,b?1:15);a.o=a.d;a.p=a.e;for(d=0;d<a.d;d++){if(a.c[d]!=a.g[d]){c=j_.Qm(a,d,false);a.c[d]=a.g[d];if(c!=-1){f=j_.Qm(a,d,true);if(c!=f){e=((a.s[d]&z1)>>>28)-1;(e==-1||e<c)&&j_.Sk(a,d,c)}}}}b||j_.Tn(a);a.R=0};j_.On=function On(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if(a.g[b]!=2||a.j[b][0]!=2||a.j[b][1]!=2||a.g[a.f[b][0]]<2||a.g[a.f[b][1]]<2||a.k[a.f[b][0]]!=1||a.k[a.f[b][1]]!=1){j_.dl(a,b,0,false);return}v=-1;u=-1;t=-1;q=-1;f=0;for(l=0;l<2;l++){d=a.f[b][l];for(o=0;o<a.c[d];o++){g=a.f[d][o];if(g!=b){h=a.i[d][o];w=j_.gn(a,h,g);if(f<w){f=w;u=g;v=h;t=d;q=a.f[b][1-l]}}}}if(u==-1)return;for(m=0;m<2;m++){d=a.f[b][m];for(o=0;o<a.c[d];o++){g=a.f[d][o];h=a.i[d][o];g!=b&&a.B[0][h]==d&&(a.F[h]=1)}}if(a.B[1][v]!=u){a.B[0][v]=a.B[1][v];a.B[1][v]=u}i=N_;for(n=0;n<a.g[t];n++){g=a.f[t][n];g!=b&&i>g&&(i=g)}r=fK(e_.zL,b0,5,2,15,1);s=0;for(k=0;k<a.g[q];k++){g=a.f[q][k];g!=b&&(r[s++]=g)}c=j_.Xl(a.H[b].a,a.H[b].b,a.H[q].a,a.H[q].b);e=0;if(s==2){if(r[0]>r[1]){A=r[0];r[0]=r[1];r[1]=A}j=j_.Yl(c,j_.Lj(a,q,r[0]));p=j_.Yl(c,j_.Lj(a,q,r[1]));e=j-p}else{e=j_.Yl(c,j_.Lj(a,q,r[0]))}e<0^(a.s[b]&3)==1^i==u?(a.F[v]=17):(a.F[v]=9)};j_.Pn=function Pn(a,b,c,d){var 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;j_.fm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){j_.On(a,b);return}if(a.g[b]<3||a.g[b]>4){j_.dl(a,b,0,false);return}c=a.c[b];q=false;for(h=0;h<c;h++){if(j_.Uj(a,a.i[b][h])==1){q=true;break}}if(!q)return;r=j_.en(a,b);d=fK(e_.xL,d1,5,c,15,1);for(i=0;i<c;i++)d[i]=j_.Lj(a,a.f[b][r[i]],b);for(j=0;j<c;j++)a.B[0][a.i[b][j]]==b&&j_.Uj(a,a.i[b][j])==1&&(a.F[a.i[b][j]]=1);if((!!a.n&&b<a.d?j_.$p(a.n,b):0)<=24&&j_.Pn(a,b,r,d))return;o=-1;for(k=0;k<c;k++){f=a.i[b][k];if((a.F[f]==17||a.F[f]==9)&&a.B[0][f]==b){a.F[a.i[b][k]]=1;o==-1?(o=f):(o=-2)}}o<0&&(o=j_.Mn(a,b));if(a.B[0][o]!=b){a.B[1][o]=a.B[0][o];a.B[0][o]=b}p=-1;for(l=0;l<c;l++){if(o==a.i[b][r[l]]){p=l;break}}s=nK(_J(e_.zL,2),r1,6,0,[nK(_J(e_.zL,1),b0,5,15,[2,1,2,1]),nK(_J(e_.zL,1),b0,5,15,[1,2,2,1]),nK(_J(e_.zL,1),b0,5,15,[1,1,2,2]),nK(_J(e_.zL,1),b0,5,15,[2,1,1,2]),nK(_J(e_.zL,1),b0,5,15,[2,2,1,1]),nK(_J(e_.zL,1),b0,5,15,[1,2,1,2])]);for(g=1;g<c;g++)d[g]<d[0]&&(d[g]+=z0);if(c==3){m=false;switch(p){case 0:m=d[1]<d[2]&&d[2]-d[1]<A0||d[1]>d[2]&&d[1]-d[2]>A0;break;case 1:m=d[2]-d[0]>A0;break;case 2:m=d[1]-d[0]<A0;}e=(a.s[b]&3)==1^m?17:9}else{n=0;d[1]<=d[2]&&d[2]<=d[3]?(n=0):d[1]<=d[3]&&d[3]<=d[2]?(n=1):d[2]<=d[1]&&d[1]<=d[3]?(n=2):d[2]<=d[3]&&d[3]<=d[1]?(n=3):d[3]<=d[1]&&d[1]<=d[2]?(n=4):d[3]<=d[2]&&d[2]<=d[1]&&(n=5);e=(a.s[b]&3)==1^s[n][p]==1?9:17}a.F[o]=e};j_.Sn=function Sn(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if((a.C[b]&3)==0||(a.C[b]&3)==3||!j_.tn(a,b))return;v=-1;t=-1;u=-1;s=-1;e=0;for(l=0;l<2;l++){d=a.B[l][b];for(o=0;o<a.c[d];o++){h=a.i[d][o];if(h!=b&&j_.Uj(a,h)==1){g=a.f[d][o];w=j_.gn(a,h,g);if(e<w){e=w;t=g;v=h;u=d;s=a.B[1-l][b]}}}}if(t==-1)return;for(m=0;m<2;m++){for(o=0;o<a.c[a.B[m][b]];o++){h=a.i[a.B[m][b]][o];h!=b&&j_.Uj(a,h)==1&&(a.F[h]=1)}}if(a.B[1][v]!=t){a.B[0][v]=a.B[1][v];a.B[1][v]=t}i=N_;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=fK(e_.zL,b0,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=j_.Xl(a.H[u].a,a.H[u].b,a.H[s].a,a.H[s].b);c=0;if(r==2){if(q[0]>q[1]){A=q[0];q[0]=q[1];q[1]=A}j=j_.Yl(f,j_.Lj(a,s,q[0]));p=j_.Yl(f,j_.Lj(a,s,q[1]));c=j-p}else{c=j_.Yl(f,j_.Lj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=17):(a.F[v]=9)};j_.Tn=function Tn(a){var b,c,d;j_.is(a,7);for(b=0;b<a.d;b++)j_.Rn(a,b);for(d=0;d<a.e;d++)j_.Sn(a,d);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=26)};j_.Un=function Un(b,c){var d,e,f,g,h,i,j,k,l,m;i=fK(e_.zL,b0,5,b.o,15,1);h=j_.Mm(b,i,false,c);if(h<=1)return null;j=fK(e_.zL,b0,5,h,15,1);for(e=0;e<b.d;e++)++j[i[e]];l=0;m=j[0];for(k=1;k<h;k++){if(m<j[k]){m=j[k];l=k}}for(d=0;d<b.o;d++)i[d]!=l&&(b.A[d]=-1);for(g=0;g<b.p;g++)(!c&&b.F[g]==32||i[b.B[0][g]]!=l)&&(b.F[g]=128);f=j_._i(b);b.R=0;try{j_.em(b,true,true)}catch(a){a=TO(a);if(!lL(a,13))throw UO(a)}return f};j_.Vn=function Vn(a,b){if((a.s[b]&z1)!=0)return true;if(a.A[b]==1)return false;return j_.yk(a,b)||a.A[b]==13||a.A[b]>=171};j_.Wn=function Wn(a){var b,c,d,e,f,g,h,i,j,k;f=j_.Jj(a,a.o,a.p,j_.Ii);g=f*f/16;for(d=1;d<a.o;d++){for(e=0;e<d;e++){i=a.H[e].a-a.H[d].a;j=a.H[e].b-a.H[d].b;k=a.H[e].c-a.H[d].c;if(i*i+j*j+k*k<g)throw UO(new f_.WH('The distance between two atoms is too close.'))}}j_.is(a,1);b=0;for(c=0;c<a.d;c++){if(j_.Wm(a,c)>(h=j_.bk(a,c),h+j_._j(a,c,h)))throw UO(new f_.WH('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw UO(new f_.WH('unbalanced atom charge'))};j_.Xn=function Xn(a,b,c){var d;d=j_.Ll(a,b,c);if(d&&c==26){j_.is(a,7);d=d&(a.C[b]&128)==0}return d};j_.Yn=function Yn(a){var b,c,d,e,f,g,h,i,j,k,l,m,n;if(!a.I)return false;for(c=0;c<a.o;c++){n=j_.bk(a,c);n+j_._j(a,c,n)-j_.Wm(a,c)<=0&&!(a.q[c]==0&&(a.A[c]==5||(e=a.A[c],e==7||e==15||e==33)||(d=a.A[c],d==8||d==16||d==34||d==52)))&&(a.w[c]=WO(a.w[c],-6145))}g=false;for(b=0;b<a.d;b++){h=a.c[b]-a.g[b];if(!a.Q&&h>0){if(eP(WO(a.w[b],c1),0)){k=eP(WO(a.w[b],G0),896)?3:eP(WO(a.w[b],G0),384)?2:eP(WO(a.w[b],128),128)?1:0;i=(n=j_.bk(a,b),n+j_._j(a,b,n)-j_.Wm(a,b));a.q[b]==0&&eP(WO(a.w[b],I0),0)&&a.A[b]!=6&&++i;l=h;l>3-k&&(l=3-k);l>i+h-k&&(l=i+h-k);if(l>0){m=k==0?0:sP(WO(a.w[b],G0),l);m=rP(m,e_.cP((l==3?7:h==2?3:1)<<7));a.w[b]=WO(a.w[b],-1921);a.w[b]=rP(a.w[b],WO(G0,m))}}for(j=a.g[b];j<a.c[b];j++){f=a.i[b][j];if(a.F[f]==1){a.A[a.f[b][j]]=-1;a.F[f]=128;g=true}}}pP(WO(a.w[b],2),0)&&(a.w[b]=WO(a.w[b],-9));a.q[b]!=0&&(a.s[b]=yP(WO(gP(a.s[b]),-234881025)))}g&&j_._i(a);return g};j_.Zn=function Zn(){j_.Ol.call(this)};j_.$n=function $n(a,b){j_.Pl.call(this,a,b)};j_._n=function _n(a){j_.Pl.call(this,!a?256:a.K,!a?256:a.L);!!a&&j_.dj(a,this)};KP(69,60,{69:1,60:1,4:1});_.vb=function ao(a){j_.im(this,a)};_.d=0;_.e=0;e_.WL=cR(69);j_.bo=function bo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};j_.co=function co(a,b){var c,d;c=b;d=0;while(b!=0){if(a.c==0){a.e=(a.b[++a.d]&63)<<11;a.c=6}d|=(V_&a.e)>>16-c+b;a.e<<=1;--b;--a.c}return d};j_.eo=function eo(a,b,c){a.c=6;a.d=c;a.b=b;a.e=(b[a.d]&63)<<11};j_.fo=function fo(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32|0;c=f*a/(d-a);return e?-c:c};j_.go=function go(a,b){var c;return b==null||i_._$(b).length==0?null:j_.io(a,i_.G$((c=b,i_.B$(),c)),null)};j_.ho=function ho(a,b,c){var d,e;return b==null?null:j_.io(a,i_.G$((e=b,i_.B$(),e)),c==null?null:i_.G$((d=c,d)))};j_.io=function io(a,b,c){var d,e,f,g,h;if(b==null)return null;j_.eo(a,b,0);d=j_.co(a,4);g=j_.co(a,4);d>8&&(d=g);e=j_.co(a,d);f=j_.co(a,g);h=new j_.As(e,f);j_.jo(a,h,b,c,0);return h};j_.jo=function jo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,Vb,Wb,Xb,Yb,Zb,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc;j_.$i(c);if(d==null||0>=d.length)return;b.f=c;nc=8;e!=null&&f>=e.length&&(e=null);j_.eo(b,d,0);i=j_.co(b,4);B=j_.co(b,4);if(i>8){nc=i;i=B}if(i==0){j_.xl(b.f,j_.co(b,1)==1);return}j=j_.co(b,i);k=j_.co(b,B);bc=j_.co(b,i);fc=j_.co(b,i);ec=j_.co(b,i);N=j_.co(b,i);for(o=0;o<j;o++)j_.Li(b.f,6);for(ib=0;ib<bc;ib++)j_.ll(b.f,j_.co(b,i),7);for(jb=0;jb<fc;jb++)j_.ll(b.f,j_.co(b,i),8);for(ub=0;ub<ec;ub++)j_.ll(b.f,j_.co(b,i),j_.co(b,8));for(Fb=0;Fb<N;Fb++)j_.Uk(b.f,j_.co(b,i),j_.co(b,4)-8);O=1+k-j;U=j_.co(b,4);A=0;j_.il(b.f,0,0);j_.jl(b.f,0,0);j_.kl(b.f,0,0);V=e!=null&&e[0]>=39;mc=0;pc=0;rc=0;tc=0;Q=false;R=false;if(V){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){R=true;Q=e.length==3*j-3+9;Ub=Q?3*j-3:2*j-2;w=86*(e[Ub+1]-40)+e[Ub+2]-40;mc=$wnd.Math.pow(10,w/2000-1);Ub+=2;oc=86*(e[Ub+1]-40)+e[Ub+2]-40;pc=$wnd.Math.pow(10,oc/1500-1);Ub+=2;qc=86*(e[Ub+1]-40)+e[Ub+2]-40;rc=$wnd.Math.pow(10,qc/1500-1);if(Q){Ub+=2;sc=86*(e[Ub+1]-40)+e[Ub+2]-40;tc=$wnd.Math.pow(10,sc/1500-1)}}else{Q=e.length==3*j-3}}if(b.wb()&&Q){e=null;V=false}for(Ob=1;Ob<j;Ob++){W=j_.co(b,U);if(W==0){if(V){j_.il(b.f,Ob,j_.Ej(b.f,0)+8*(e[Ob*2-2]-83));j_.jl(b.f,Ob,j_.Fj(b.f,0)+8*(e[Ob*2-1]-83));Q&&j_.kl(b.f,Ob,j_.Gj(b.f,0)+8*(e[2*j-3+Ob]-83))}++O;continue}A+=W-1;if(V){j_.il(b.f,Ob,j_.Ej(b.f,A)+e[Ob*2-2]-83);j_.jl(b.f,Ob,j_.Fj(b.f,A)+e[Ob*2-1]-83);Q&&j_.kl(b.f,Ob,j_.Gj(b.f,A)+(e[2*j-3+Ob]-83))}j_.Ni(b.f,A,Ob,1)}for(Pb=0;Pb<O;Pb++)j_.Ni(b.f,j_.co(b,i),j_.co(b,i),1);Vb=fK(e_.PO,v0,5,k,16,1);for(I=0;I<k;I++){J=j_.co(b,2);switch(J){case 0:Vb[I]=true;break;case 2:j_.vl(b.f,I,2);break;case 3:j_.vl(b.f,I,4);}}h=j_.co(b,i);for(Qb=0;Qb<h;Qb++){n=j_.co(b,i);if(nc==8){gc=j_.co(b,2);if(gc==3){j_.Zk(b.f,n,1,0);j_.dl(b.f,n,1,false)}else{j_.dl(b.f,n,gc,false)}}else{gc=j_.co(b,3);switch(gc){case 4:j_.dl(b.f,n,1,false);j_.Zk(b.f,n,1,j_.co(b,3));break;case 5:j_.dl(b.f,n,2,false);j_.Zk(b.f,n,1,j_.co(b,3));break;case 6:j_.dl(b.f,n,1,false);j_.Zk(b.f,n,2,j_.co(b,3));break;case 7:j_.dl(b.f,n,2,false);j_.Zk(b.f,n,2,j_.co(b,3));break;default:j_.dl(b.f,n,gc,false);}}}nc==8&&j_.co(b,1)==0&&(b.f.J=true);g=j_.co(b,B);for(Rb=0;Rb<g;Rb++){D=j_.co(b,B);if(j_.Xj(b.f,D)==1){gc=j_.co(b,3);switch(gc){case 4:j_.sl(b.f,D,1,false);j_.pl(b.f,D,1,j_.co(b,3));break;case 5:j_.sl(b.f,D,2,false);j_.pl(b.f,D,1,j_.co(b,3));break;case 6:j_.sl(b.f,D,1,false);j_.pl(b.f,D,2,j_.co(b,3));break;case 7:j_.sl(b.f,D,2,false);j_.pl(b.f,D,2,j_.co(b,3));break;default:j_.sl(b.f,D,gc,false);}}else{j_.sl(b.f,D,j_.co(b,2),false)}}j_.xl(b.f,j_.co(b,1)==1);m=null;dc=0;while(j_.co(b,1)==1){T=dc+j_.co(b,4);switch(T){case 0:cc=j_.co(b,i);for(Sb=0;Sb<cc;Sb++){n=j_.co(b,i);j_.el(b.f,n,c1,true)}break;case 1:cc=j_.co(b,i);for(Tb=0;Tb<cc;Tb++){n=j_.co(b,i);_b=j_.co(b,8);j_.cl(b.f,n,_b)}break;case 2:cc=j_.co(b,B);for(kb=0;kb<cc;kb++){j_.co(b,B)}break;case 3:cc=j_.co(b,i);for(lb=0;lb<cc;lb++){n=j_.co(b,i);j_.el(b.f,n,D0,true)}break;case 4:cc=j_.co(b,i);for(mb=0;mb<cc;mb++){n=j_.co(b,i);kc=sP(gP(j_.co(b,4)),3);j_.el(b.f,n,kc,true)}break;case 5:cc=j_.co(b,i);for(nb=0;nb<cc;nb++){n=j_.co(b,i);l=sP(gP(j_.co(b,2)),1);j_.el(b.f,n,l,true)}break;case 6:cc=j_.co(b,i);for(ob=0;ob<cc;ob++){n=j_.co(b,i);j_.el(b.f,n,1,true)}break;case 7:cc=j_.co(b,i);for(pb=0;pb<cc;pb++){n=j_.co(b,i);fb=sP(gP(j_.co(b,4)),7);j_.el(b.f,n,fb,true)}break;case 8:cc=j_.co(b,i);for(qb=0;qb<cc;qb++){n=j_.co(b,i);t=j_.co(b,4);r=fK(e_.zL,b0,5,t,15,1);for(Wb=0;Wb<t;Wb++){s=j_.co(b,8);r[Wb]=s}j_.$k(b.f,n,r)}break;case 9:cc=j_.co(b,B);for(rb=0;rb<cc;rb++){D=j_.co(b,B);kc=j_.co(b,2)<<5;j_.ul(b.f,D,kc,true)}break;case 10:cc=j_.co(b,B);for(sb=0;sb<cc;sb++){D=j_.co(b,B);K=j_.co(b,5);j_.ul(b.f,D,K,true)}break;case 11:cc=j_.co(b,i);for(tb=0;tb<cc;tb++){n=j_.co(b,i);j_.el(b.f,n,b1,true)}break;case 12:cc=j_.co(b,B);for(vb=0;vb<cc;vb++){D=j_.co(b,B);L=j_.co(b,8)<<7;j_.ul(b.f,D,L,true)}break;case 13:cc=j_.co(b,i);for(wb=0;wb<cc;wb++){n=j_.co(b,i);hc=sP(gP(j_.co(b,3)),14);j_.el(b.f,n,hc,true)}break;case 14:cc=j_.co(b,i);for(xb=0;xb<cc;xb++){n=j_.co(b,i);ac=sP(gP(j_.co(b,5)),17);j_.el(b.f,n,ac,true)}break;case 15:case 31:dc+=16;break;case 16:cc=j_.co(b,i);for(yb=0;yb<cc;yb++){n=j_.co(b,i);jc=sP(gP(j_.co(b,3)),22);j_.el(b.f,n,jc,true)}break;case 17:cc=j_.co(b,i);for(zb=0;zb<cc;zb++){n=j_.co(b,i);j_.Sk(b.f,n,j_.co(b,4))}break;case 18:cc=j_.co(b,i);$b=j_.co(b,4);for(Ab=0;Ab<cc;Ab++){n=j_.co(b,i);S=j_.co(b,$b);Xb=fK(e_.vL,u1,5,S,15,1);for(Wb=0;Wb<S;Wb++)Xb[Wb]=j_.co(b,7)<<24>>24;j_.Xk(b.f,n,f_.OS(i_.E$(Xb,0,(Yb=Xb.length,i_.B$(),Yb))))}break;case 19:cc=j_.co(b,i);for(Bb=0;Bb<cc;Bb++){n=j_.co(b,i);M=sP(gP(j_.co(b,3)),25);j_.el(b.f,n,M,true)}break;case 20:cc=j_.co(b,B);for(Cb=0;Cb<cc;Cb++){D=j_.co(b,B);jc=j_.co(b,3)<<15;j_.ul(b.f,D,jc,true)}break;case 21:cc=j_.co(b,i);for(Db=0;Db<cc;Db++){n=j_.co(b,i);j_.fl(b.f,n,j_.co(b,2)<<4)}break;case 22:cc=j_.co(b,i);for(Eb=0;Eb<cc;Eb++){n=j_.co(b,i);j_.el(b.f,n,a1,true)}break;case 23:cc=j_.co(b,B);for(Gb=0;Gb<cc;Gb++){D=j_.co(b,B);j_.ul(b.f,D,l1,true)}break;case 24:cc=j_.co(b,B);for(Hb=0;Hb<cc;Hb++){D=j_.co(b,B);l=j_.co(b,2)<<19;j_.ul(b.f,D,l,true)}break;case 25:for(Ib=0;Ib<j;Ib++)j_.co(b,1)==1&&j_.gl(b.f,Ib,true);break;case 26:cc=j_.co(b,B);m=fK(e_.zL,b0,5,cc,15,1);for(Jb=0;Jb<cc;Jb++)m[Jb]=j_.co(b,B);break;case 27:cc=j_.co(b,i);for(Kb=0;Kb<cc;Kb++){n=j_.co(b,i);j_.el(b.f,n,w0,true)}break;case 28:cc=j_.co(b,B);for(Lb=0;Lb<cc;Lb++)j_.vl(b.f,j_.co(b,B),32);break;case 29:cc=j_.co(b,i);for(Mb=0;Mb<cc;Mb++){n=j_.co(b,i);eb=gP(j_.co(b,2)<<30);j_.el(b.f,n,eb,true)}break;case 30:cc=j_.co(b,i);for(Nb=0;Nb<cc;Nb++){n=j_.co(b,i);jc=sP(gP(j_.co(b,7)),32);j_.el(b.f,n,jc,true)}break;case 32:cc=j_.co(b,i);for(hb=0;hb<cc;hb++){n=j_.co(b,i);lc=sP(gP(j_.co(b,2)),44);j_.el(b.f,n,lc,true)}}}j_.Vd(new j_.de(b.f),Vb,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];j_.vl(b.f,D,j_.Xj(b.f,D)==2?4:2)}if(e==null&&!b.g&&d.length>b.d+1&&(d[b.d+1]==32||d[b.d+1]==9)){e=d;f=b.d+2}if(e!=null){try{if(e[f]==33||e[f]==35){j_.eo(b,e,f+1);Q=j_.co(b,1)==1;R=j_.co(b,1)==1;ic=2*j_.co(b,4);C=1<<ic;cb=0;D=0;for(p=1;p<j;p++){if(D<k&&j_.Mj(b.f,1,D)==p){cb=j_.Mj(b.f,0,D++);bb=1}else{cb=0;bb=8}j_.il(b.f,p,j_.Ej(b.f,cb)+bb*(j_.co(b,ic)-(C/2|0)));j_.jl(b.f,p,j_.Fj(b.f,cb)+bb*(j_.co(b,ic)-(C/2|0)));Q&&j_.kl(b.f,p,j_.Gj(b.f,cb)+bb*(j_.co(b,ic)-(C/2|0)))}if(e[f]==35){gb=0;db=fK(e_.zL,b0,5,j,15,1);for(q=0;q<j;q++)gb+=db[q]=j_.Rm(b.f,q);for(n=0;n<j;n++){for(hb=0;hb<db[n];hb++){fb=j_.Li(b.f,1);j_.Ni(b.f,n,fb,1);j_.il(b.f,fb,j_.Ej(b.f,n)+(j_.co(b,ic)-(C/2|0)));j_.jl(b.f,fb,j_.Fj(b.f,n)+(j_.co(b,ic)-(C/2|0)));Q&&j_.kl(b.f,fb,j_.Gj(b.f,n)+(j_.co(b,ic)-(C/2|0)))}}j+=gb;k+=gb}v=Q?1.5:(j_.Ji(),j_.Ji(),j_.Ii);u=j_.Jj(b.f,j,k,v);if(R){mc=j_.bo(j_.co(b,ic),C);pc=mc*j_.fo(j_.co(b,ic),C);rc=mc*j_.fo(j_.co(b,ic),C);Q&&(tc=mc*j_.fo(j_.co(b,ic),C));bb=mc/u;for(n=0;n<j;n++){j_.il(b.f,n,pc+bb*j_.Ej(b.f,n));j_.jl(b.f,n,rc+bb*j_.Fj(b.f,n));Q&&j_.kl(b.f,n,tc+bb*j_.Gj(b.f,n))}}else{mc=1.5;bb=mc/u;for(n=0;n<j;n++){j_.il(b.f,n,bb*j_.Ej(b.f,n));j_.jl(b.f,n,bb*j_.Fj(b.f,n));Q&&j_.kl(b.f,n,bb*j_.Gj(b.f,n))}}}else{Q&&!R&&mc==0&&(mc=1.5);if(mc!=0&&b.f.p!=0){u=0;for(D=0;D<b.f.p;D++){X=j_.Ej(b.f,j_.Mj(b.f,0,D))-j_.Ej(b.f,j_.Mj(b.f,1,D));Y=j_.Fj(b.f,j_.Mj(b.f,0,D))-j_.Fj(b.f,j_.Mj(b.f,1,D));Z=Q?j_.Gj(b.f,j_.Mj(b.f,0,D))-j_.Gj(b.f,j_.Mj(b.f,1,D)):0;u+=$wnd.Math.sqrt(X*X+Y*Y+Z*Z)}u/=b.f.p;ab=mc/u;for(n=0;n<b.f.o;n++){j_.il(b.f,n,j_.Ej(b.f,n)*ab+pc);j_.jl(b.f,n,j_.Fj(b.f,n)*ab+rc);Q&&j_.kl(b.f,n,j_.Gj(b.f,n)*ab+tc)}}}}catch(a){a=TO(a);if(lL(a,13)){$=a;f_.EH($,(f_.gT(),f_.fT),'');'Faulty id-coordinates:'+f_.IH($,$.Hb())+' '+f_.OS(i_.E$(d,0,(Zb=d.length,i_.B$(),Zb)))+' '+f_.OS(i_.E$(e,0,(Yb=e.length,Yb)));String.fromCharCode(10);e=null;Q=false}else throw UO(a)}}P=e!=null&&!Q;if(P||b.wb()){j_.is(b.f,7);for(D=0;D<b.f.e;D++)j_.Uj(b.f,D)==2&&!j_.Gn(b.f,D)&&j_.Vj(b.f,D)==0&&j_.tl(b.f,D)}if(!P&&b.wb()){j_.Qn(b.f,0);try{b.xb(b.f);P=true}catch(a){a=TO(a);if(lL(a,13)){$=a;f_.EH($,(f_.gT(),f_.fT),'');'2D-coordinate creation failed:'+f_.IH($,$.Hb())+' '+f_.OS(i_.E$(d,0,(Yb=d.length,i_.B$(),Yb)));String.fromCharCode(10)}else throw UO(a)}}if(P){j_.Tn(b.f);j_.vs(b.f)}else Q||j_.Qn(b.f,0)};j_.ko=function ko(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;j_.eo(a,b,0);h=j_.co(a,4);e=j_.co(a,1)==1;f=j_.co(a,1)==1;for(c=0;c<a.f.d;c++){g=j_.co(a,h);d=e;e&&f&&(d=j_.co(a,1)==1);j_.al(a.f,c,g,d)}};j_.lo=function lo(){};KP(159,1,{},j_.lo);_.wb=function mo(){return false};_.xb=function no(a){throw UO(new f_.WH('Unexpected request to invent coordinates. Check source code logic!'))};_.c=0;_.d=0;_.e=0;_.g=false;e_.XL=cR(159);j_.oo=function oo(a){this.a=a};KP(51,159,{},j_.oo);_.wb=function po(){return this.a};_.xb=function qo(a){var b;b=new m_.du;b.g=new k_.CY(78187493520);m_.Nt(b,a)};_.a=false;e_.YL=cR(51);j_.ro=function ro(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=pP(WO(j_.Cj(a.k,e),1),0);f=j_.xj(a.k,e);l=f!=null?j_.yo(a,e,f,d):j?'*':j_.wj(a.k,e);!j&&f==null&&j_.rn(a.k,e)&&(a.j&4)==0&&(j_.tm(a.k,e)!=0||j_.oj(a.k,e)==-1&&j_.Dj(a.k,e)==0)&&(l=i_._$(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&j_.vo(a,j_.Bm(a.k,b.a,b.g),b.g,c);g=j_.qj(a.k,e);if(g==0&&(a.j&1)!=0){h=WO(j_.Cj(a.k,e),I0);_O(h,L0)==0?(g=-1):_O(h,K0)==0&&(g=1)}k=j_.Aj(a.k,e);m=(a.j&2)!=0?j_.zj(a.k,e):0;o=(a.j&1)!=0?j_.Eo(a,e,d):null;r=!j&&!j_.Lo(j_.Hj(a.k,e))||f!=null||(j_.Bj(a.k,e)==1||j_.Bj(a.k,e)==2)&&(q=j_.vj(a.k,e)-1,!(q!=-1&&a.i[q][j_.uj(a.k,e)]<=1))&&(j_.Hj(a.k,e)!=7||j_.qj(a.k,e)>0)||j_.rn(a.k,e)&&j_.tm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||j_.oj(a.k,e)!=-1||j_.Dj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(j_.Bj(a.k,e)==1||j_.Bj(a.k,e)==2)&&(p=j_.vj(a.k,e)-1,!(p!=-1&&a.i[p][j_.uj(a.k,e)]<=1))&&(j_.Hj(a.k,e)!=7||j_.qj(a.k,e)>0)&&f_.$S(c,j_.Do(a,e,n));if((a.j&1)==0&&r){i=j_.an(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&f_.XS(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);j_.wo(a,b,c);b.e&&(c.a+=')',c)};j_.so=function so(a,b,c){var d,e,f,g,h;f=true;h=k_.Qh(a.g,b).a;g=j_.Ho(a,h);while(g!=-1){d=j_.Dm(a.k,h,g);e=j_.Fm(a.k,h,g);g=j_.Ho(a,d);j_.uo(a,new j_.Br(d,e,h,c&&f,c&&g==-1),++b);h=d;f=false}};j_.to=function to(a,b,c){var d,e,f,g;for(e=b,f=0,g=e.length;f<g;++f){d=e[f];a.f[d&1073741823]=(d&N1)!=0^c?2:1}};j_.uo=function uo(a,b,c){k_.Kh(a.g,c,b);a.b[b.a]=true;b.g!=-1&&(a.c[j_.Bm(a.k,b.a,b.g)]=true)};j_.vo=function vo(a,b,c,d){var e,f,g,h,i;i=i_._$(d.a).length;a.f[b]!=0&&f_.WS(d,a.f[b]==1?47:92);if(a.j==1){f=j_.Wj(a.k,31);if(f!=0){(f&1)!=0&&a.f[b]==0&&(d.a+='-',d);if((f&2)!=0){i_._$(d.a).length!=i&&(d.a+=',',d);d.a+='='}if((f&4)!=0){i_._$(d.a).length!=i&&(d.a+=',',d);d.a+='#'}if((f&64)!=0){i_._$(d.a).length!=i&&(d.a+=',',d);d.a+=':'}if((f&32)!=0){i_._$(d.a).length!=i&&(d.a+=',',d);f_.$S(d,j_.wk(a.k,c)?'<-':'->')}}}if(i==i_._$(d.a).length&&(!j_.sn(a.k,b)||(a.j&4)!=0)){e=j_.Xj(a.k,b)&103;e==1?j_.rn(a.k,j_.Mj(a.k,0,b))&&j_.rn(a.k,j_.Mj(a.k,1,b))&&(a.j&4)==0&&a.f[b]==0&&(d.a+='-',d):e==2?(d.a+='=',d):e==4?(d.a+='#',d):e==64?(d.a+=':',d):e==32&&f_.$S(d,j_.wk(a.k,c)?'<-':'->')}if(a.j==1){g=i==i_._$(d.a).length?'':';';h=j_.Wj(a.k,b)&96;h==64?(d.a+=g+'@',d):h==32&&(d.a+=g+'!@',d)}};j_.wo=function wo(a,b,c){var d,e,f;if(b.c!=null){for(e=0;e<b.c.length;e++){for(f=0;f<j_.Em(a.k,b.a);f++){if(b.c[e]==j_.Dm(a.k,b.a,f)){d=j_.Fm(a.k,b.a,f);b.d[e]||j_.vo(a,d,b.a,c);a.e[d]>9&&(c.a+='%',c);f_.XS(c,a.e[d])}}}}};j_.xo=function xo(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O;M=new k_.ci;for(r=new k_.BX(a.g);r.a<r.c.a.length;){q=k_.AX(r);if(q.g!=-1){t=j_.Bm(a.k,q.a,q.g);if(!j_.tn(a.k,t)&&!j_.Gn(a.k,t)&&(j_.Vj(a.k,t)==1||j_.Vj(a.k,t)==2)){K=k_.Qh(a.g,a.q[q.g]);c=fK(e_.zL,b0,5,j_.Em(a.k,q.a)+j_.Em(a.k,K.a)-2,15,1);B=0;L=false;if(K.g!=-1){c[B++]=K.b}else{u=-1;N=-1;v=N_;for(D=0;D<j_.Em(a.k,K.a);D++){l=j_.Dm(a.k,K.a,D);if(l!=q.a){if(u==-1){u=D;v=a.q[l]}else{if(v<a.q[l]){N=D}else{N=u;u=D}}}}if(N==-1){H=j_.Dm(a.k,K.a,u);I=j_.Fm(a.k,K.a,u);c[B++]=I|(j_.Jo(a,K.a,H)?N1:0)}else{m=j_.Dm(a.k,K.a,u);o=j_.Fm(a.k,K.a,u);n=j_.Dm(a.k,K.a,N);p=j_.Fm(a.k,K.a,N);c[B++]=o|(j_.Jo(a,K.a,m)?N1:0);c[B++]=p|(j_.Jo(a,K.a,n)?0:N1)}}if(j_.Em(a.k,K.a)==3&&K.g!=-1){for(D=0;D<j_.Em(a.k,K.a);D++){l=j_.Dm(a.k,K.a,D);if(l!=K.g&&l!=q.a){d=j_.Fm(a.k,K.a,D);c[B++]=d|(j_.Jo(a,K.a,l)?N1:0);l<K.g&&(L=!L);break}}}j_.Vj(a.k,t)==2&&(L=!L);for(C=0;C<j_.Em(a.k,q.a);C++){i=j_.Dm(a.k,q.a,C);if(i!=q.g){A=L;if(j_.Em(a.k,q.a)==3){for(G=0;G<j_.Em(a.k,q.a);G++){l=j_.Dm(a.k,q.a,G);if(l!=q.g&&l!=i){l<i&&(A=!A);break}}}if(j_.rk(a.k,t)){w=j_.of(a.d,t);if(!a.n[w]){a.n[w]=true;a.o[w]=A}a.o[w]&&(A=!A)}j=j_.Bm(a.k,q.a,i);c[B++]=j|(A^j_.Jo(a,q.a,i)?0:N1)}}i_.x$(M.a,c)}}}a.f=fK(e_.zL,b0,5,a.k.e,15,1);M.a.length!=0&&j_.to(a,k_.Wh(M,0),false);while(M.a.length!=0){O=M.a.length;for(C=M.a.length-1;C>=0;C--){c=(i_.R$(C,M.a.length),M.a[C]);J=0;F=false;k=false;for(f=c,g=0,h=f.length;g<h;++g){e=f[g];b=e&1073741823;if(a.f[b]!=0){s=(e&N1)!=0^a.f[b]==2;J==0?(F=s):F!=s&&(k=true);++J}}if(J!=0){c=k_.Wh(M,C);k||j_.to(a,c,F)}}O==M.a.length&&j_.to(a,k_.Wh(M,0),false)}};j_.yo=function yo(a,b,c,d){var e,f,g,h,i,j,k;k=i_._$(d.a).length;0<k?(d.a=f_.JS(d.a,0,0)):0>k&&(d.a+=f_.OS(fK(e_.wL,t1,5,-k,15,1)));i=j_.rn(a.k,b)&&(a.j&4)==0;for(f=c,g=0,h=f.length;g<h;++g){e=f[g];i_._$(d.a).length!=0&&(d.a+=',',d);j=(j_.Ji(),j_.Di)[e];f_.$S(d,i?i_._$(j).toLowerCase():j)}return d.a};j_.zo=function zo(a){var b,c,d,e,f,g,h,i;if(!a.k||a.k.o==0)return '';j_.is(a.k,15);a.d=new j_.If(a.k,129);e=a.d.R;a.o=fK(e_.PO,v0,5,e+1,16,1);a.n=fK(e_.PO,v0,5,e+1,16,1);a.i=dK(e_.zL,[r1,b0],[6,5],15,[2,32],2);for(b=0;b<a.k.d;b++){i=j_.vj(a.k,b)-1;i!=-1&&++a.i[i][j_.uj(a.k,b)]}j_.Co(a);j_.Ao(a);j_.xo(a);d=new f_.bT;c=new f_.bT;f=true;for(h=new k_.BX(a.g);h.a<h.c.a.length;){g=k_.AX(h);g.g==-1&&(f?(f=false):(d.a+='.',d));j_.ro(a,g,d,c)}return d.a};j_.Ao=function Ao(a){var b,c,d,e,f,g,h,i,j,k,l;for(l=new 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false;j=j_.Cj(a.D,b);f=j_.Cj(a.f,c);e=j_.xj(a.f,c);i=j_.xj(a.D,b);if(pP(WO(f,1),0)){if(e!=null){if(pP(WO(j,1),0)){if(i==null)return false;if(!j_.Kq(e,i))return false}else{if(i!=null){if(j_.Mq(i,e))return false}else{if(j_.Jq(j_.Hj(a.D,b),e))return false}}}}else{if(pP(WO(j,1),0))return false;if(e!=null){if(i!=null){if(!j_.Kq(i,e))return false}else{if(!j_.Jq(j_.Hj(a.D,b),e))return false}}else{if(i!=null)return false;if(a.G[b]!=a.i[c])return false}}if(pP(rP(j,f),0)){if(pP(WO(f,c1),0)){if(a.D.I&&eP(WO(j,c1),0))return false;else if(d!=h)return false}if(pP(WO(f,D0),0)){if(d>=h&&eP(WO(j,D0),0))return false}}if(pP(WO(a.F[b],qP(a.g[c])),0))return false;if(pP(WO(a.w[c],qP(a.J[b])),0))return false;g=WO(f,f0);if(a.D.I){k=WO(f,f0);if(_O(k,0)!=0&&(_O(g,0)==0||pP(WO(g,qP(k)),0)))return false}else{if(_O(g,0)!=0&&eP(WO(g,a.J[b]),0))return false}if(j_.qj(a.f,c)!=0&&j_.qj(a.f,c)!=j_.qj(a.D,b))return false;if(j_.Aj(a.f,c)!=0&&j_.Aj(a.f,c)!=j_.Aj(a.D,b))return 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d,e,f,g,h,i,j;a.M=false;a.B=new k_.ci;k_.IY(a.L.a);if(!a.D||!a.f)return 0;if(a.f.d-a.n>a.D.d||a.f.e-a.o>a.D.e)return 0;if(a.f.d==0)return 0;b==6&&(a.K=63);j_.Pq(a,c);d=fK(e_.PO,v0,5,a.D.d,16,1);a.C=fK(e_.zL,b0,5,a.f.d,15,1);k_.KX(a.C);h=fK(e_.zL,b0,5,a.v,15,1);k_.NX(h,h.length,-1);f=0;while(!a.M){if(a.u!=0){j=a.s[f]==-1?a.D.d:j_.qm(a.D,a.C[a.s[f]]);++h[f];if(h[f]==j){h[f]=-1;if(f==0)break;--f;a.r[f]||(d[a.C[a.q[f]]]=false);continue}if(a.s[f]==-1){if(!d[h[f]]){if(j_.tq(a,h[f],a.q[f])){a.C[a.q[f]]=h[f];d[h[f]]=true;++f}}}else{if(j_.Dm(a.D,a.C[a.s[f]],h[f])>=a.D.d)continue;e=j_.Dm(a.D,a.C[a.s[f]],h[f]);if(a.r[f]){e==a.C[a.q[f]]&&j_.uq(a,j_.Fm(a.D,a.C[a.s[f]],h[f]),a.t[f])&&++f}else{if(!d[e]){if(j_.tq(a,e,a.q[f])&&j_.uq(a,j_.Fm(a.D,a.C[a.s[f]],h[f]),a.t[f])){d[e]=true;a.C[a.q[f]]=e;++f}}}}}if(f==a.u){if(j_.Aq(a,-1)&&j_.zq(a,-1)&&j_.yq(a,d,-1)){i=false;for(g=0;g<a.c;g++){if(j_.Hq(a,d,h,g)){i=true;break}}if(b==1&&!i)return 1;if(!i){j_.sq(a,b);if(b==2)return 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c,d,e,f,g,h,i,j;g=0;for(d=b,e=0,f=d.length;e<f;++e){c=d[e];c==-1&&++g}j=fK(e_.zL,b0,5,b.length-g,15,1);i=0;for(h=0;h<b.length;h++){if(b[h]!=-1){j[i]=j_.ts(a.f,h)<<16|j_.ts(a.D,b[h]);++i}}i_.z$(j,i_._$(NP(k_.dY.prototype.Zb,k_.dY,[])));return j};j_.Gq=function Gq(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;f=false;for(e=0;e<2;e++){c=j_.Mj(a.f,e,b);k=a.C[c];if(j_.Em(a.D,k)>2){m=j_.Mj(a.f,1-e,b);i=N_;for(h=0;h<j_.Em(a.f,c);h++){d=j_.Dm(a.f,c,h);d!=m&&i>d&&(i=d)}n=a.C[m];j=N_;for(g=0;g<j_.Em(a.D,k);g++){l=j_.Dm(a.D,k,g);l!=n&&j>l&&(j=l)}a.C[i]!=j&&(f=!f)}}return f};j_.Hq=function Hq(a,b,c,d){var e,f,g,h,i,j,k,l;h=a.d[d];i=h+1;while(i<a.v&&a.e[a.q[i]]==d)++i;for(k=h;k<i;k++)c[k]=-1;g=h;while(true){l=a.s[g]==-1?a.D.d:j_.qm(a.D,a.C[a.s[g]]);++c[g];if(c[g]==l){c[g]=-1;if(g==h)break;--g;if(!a.r[g]){b[a.C[a.q[g]]]=false;a.C[a.q[g]]=-1}continue}if(a.s[g]==-1){if(!b[c[g]]){if(j_.tq(a,c[g],a.q[g])){a.C[a.q[g]]=c[g];b[c[g]]=true;++g}}}else{if(j_.Dm(a.D,a.C[a.s[g]],c[g])>=a.D.d){++c[g];continue}f=j_.Dm(a.D,a.C[a.s[g]],c[g]);if(a.r[g]){f==a.C[a.q[g]]&&j_.uq(a,j_.Fm(a.D,a.C[a.s[g]],c[g]),a.t[g])&&++g}else{if(!b[f]){if(j_.tq(a,f,a.q[g])&&j_.uq(a,j_.Fm(a.D,a.C[a.s[g]],c[g]),a.t[g])){b[f]=true;a.C[a.q[g]]=f;++g}}}}if(g==i){if(j_.Aq(a,d)&&j_.zq(a,d)&&j_.yq(a,b,d)){for(j=h;j<i;j++){if(!a.r[j]){e=a.q[j];b[a.C[e]]=false;a.C[e]=-1}}return true}--g;if(!a.r[g]){b[a.C[a.q[g]]]=false;a.C[a.q[g]]=-1}}}return false};j_.Iq=function Iq(a){return j_.Bq(a,1,a.b)>0};j_.Jq=function Jq(a,b){var c;for(c=0;c<b.length;c++)if(b[c]==a)return true;return false};j_.Kq=function Kq(a,b){var c,d,e;e=0;for(d=0;d<a.length;d++){c=a[d];while(b[e]<c){++e;if(e==b.length)return false}if(b[e]>c)return false}return true};j_.Lq=function Lq(a,b){var c,d,e,f,g,h,i,j;g=false;if(j_.tm(a.f,b)==0){for(f=1;f<j_.Em(a.f,b);f++){for(h=0;h<f;h++){d=j_.Dm(a.f,b,f);e=j_.Dm(a.f,b,h);a.C[d]>a.C[e]^d>e&&(g=!g)}}}else{for(f=0;f<j_.Em(a.f,b);f++){c=j_.Dm(a.f,b,f);j=0;i=fK(e_.zL,b0,5,3,15,1);for(h=0;h<j_.Em(a.f,c);h++){i[j]=j_.Dm(a.f,c,h);i[j]!=b&&++j}j==2&&a.C[i[0]]>a.C[i[1]]^i[0]>i[1]&&(g=!g)}}return g};j_.Mq=function Mq(a,b){var c,d,e,f;e=0;f=0;while(e<a.length&&f<b.length){c=a[e];d=b[f];if(c==d)return true;c<d?++e:++f}return false};j_.Nq=function Nq(a,b){var c,d,e,f,g;if(!b||b.o==0||!b.I){a.f=null;return}a.f=b;a.p=false;j_.is(a.f,1);a.K=7;for(d=0;d<a.f.d;d++)pP(WO(j_.Cj(a.f,d),{l:b1,m:0,h:3}),0)&&(a.K=15);for(g=0;g<a.f.e;g++)(j_.Wj(a.f,g)&l1)!=0&&(a.K=15);a.I&&a.K!=7&&j_.is(a.D,a.K);a.n=0;a.o=0;a.A=fK(e_.PO,v0,5,a.f.d,16,1);for(e=0;e<a.f.d;e++){a.A[e]=pP(WO(j_.Cj(a.f,e),w0),0);a.A[e]&&++a.n}a.c=0;a.e=null;if(a.n!=0){if(a.n!=0)for(f=0;f<a.f.e;f++)(a.A[j_.Mj(a.f,0,f)]||a.A[j_.Mj(a.f,1,f)])&&++a.o;for(c=0;c<a.f.o;c++)j_.bl(a.f,c,a.A[c]);a.e=fK(e_.zL,b0,5,a.f.o,15,1);a.c=j_.Mm(a.f,a.e,true,false)}};j_.Oq=function Oq(a,b){if(!b||b.o==0){a.D=null;return}a.D=b;a.I=false;j_.is(a.D,1)};j_.Pq=function Pq(a,b){if(!a.I){j_.Sq(a,b);a.I=true}if(!a.p){j_.Qq(a,b);j_.wq(a);j_.vq(a);a.p=true}};j_.Qq=function Qq(a,b){var c,d,e,f,g,h,i,j,k,l;f=null;i=null;g=null;j_.is(a.f,a.K);a.k=fK(e_.zL,b0,5,a.f.d,15,1);for(d=0;d<a.f.d;d++)a.k[d]=j_.Em(a.f,d);if(a.n!=0){j=new j_.As(a.f.o,a.f.p);l=fK(e_.PO,v0,5,a.f.o,16,1);for(e=0;e<a.f.o;e++)l[e]=!a.A[e];j_.gm(a.f,j,l,true,null);j_.is(j,a.K);j_.Rq(a,j,b);f=a.g;i=a.j;g=a.i;k=0;for(c=0;c<a.f.d;c++)a.A[c]||(a.k[c]=j_.Em(j,k++))}j_.Rq(a,a.f,b);if(a.n!=0){k=0;for(c=0;c<a.f.o;c++){if(!a.A[c]){a.g[c]=f[k];a.i[c]=g[k++]}}k=0;for(h=0;h<a.f.p;h++){!a.A[j_.Mj(a.f,0,h)]&&!a.A[j_.Mj(a.f,1,h)]&&(a.j[h]=i[k++])}}};j_.Rq=function Rq(a,b,c){var d,e,f,g,h,i,j,k,l,m,n;k=b.d;a.g=fK(e_.AL,t1,5,b.d,14,1);a.i=fK(e_.zL,b0,5,b.d,15,1);for(h=0;h<k;h++){a.g[h]=AP(WO(rP(j_.Cq(b,h),j_.Cj(a.f,h)),d2),e2);a.i[h]=b.A[h];(c&1)!=0&&(a.i[h]+=b.q[h]+16<<8);(c&2)!=0&&(a.i[h]+=b.v[h]<<16)}a.w=fK(e_.AL,t1,5,b.d,14,1);m=(j_.is(b,7),b.n);for(j=0;j<m.i.a.length;j++){n=k_.Qh(m.j,j).length;for(e=k_.Qh(m.i,j),f=0,g=e.length;f<g;++f){d=e[f];n==3?(a.w[d]=rP(a.w[d],h0)):n==4?(a.w[d]=rP(a.w[d],i0)):n==5?(a.w[d]=rP(a.w[d],j0)):n==6?(a.w[d]=rP(a.w[d],k0)):n==7&&(a.w[d]=rP(a.w[d],l0))}}l=b.e;a.j=fK(e_.zL,b0,5,b.e,15,1);for(i=0;i<l;i++){a.j[i]=(j_.Dq(b,i)|b.D[i])&1572991^1572960;(c&4)!=0?(a.j[i]&2)!=0&&(a.j[i]|=8):(c&8)!=0&&(a.j[i]&2)!=0&&(b.C[i]&256)!=0&&(a.j[i]|=8)}};j_.Sq=function Sq(a,b){var c,d,e,f,g,h,i,j,k,l,m,n;j_.is(a.D,a.K);k=a.D.d;a.G=fK(e_.zL,b0,5,k,15,1);a.F=fK(e_.AL,t1,5,k,14,1);for(g=0;g<k;g++){a.F[g]=AP(WO(rP(j_.Cq(a.D,g),j_.Cj(a.D,g)),d2),e2);a.G[g]=j_.Hj(a.D,g);(b&1)!=0&&(a.G[g]+=j_.qj(a.D,g)+16<<8);(b&2)!=0&&(a.G[g]+=j_.Aj(a.D,g)<<16)}a.J=fK(e_.AL,t1,5,k,14,1);m=j_.bn(a.D);for(j=0;j<m.i.a.length;j++){n=k_.Qh(m.j,j).length;for(d=k_.Qh(m.i,j),e=0,f=d.length;e<f;++e){h=d[e];n==3?(a.J[h]=rP(a.J[h],h0)):n==4?(a.J[h]=rP(a.J[h],i0)):n==5?(a.J[h]=rP(a.J[h],j0)):n==6?(a.J[h]=rP(a.J[h],k0)):n==7&&(a.J[h]=rP(a.J[h],l0))}}for(c=0;c<k;c++){n=j_.xm(a.D,c);n==0?(a.J[c]=rP(a.J[c],g0)):n>7&&(a.J[c]=rP(a.J[c],m0))}l=a.D.e;a.H=fK(e_.zL,b0,5,l,15,1);for(i=0;i<l;i++)a.H[i]=(j_.Dq(a.D,i)|j_.Wj(a.D,i))&1605631^1572960};j_.Tq=function Tq(a,b,c,d,e,f,g){var h,i;h=j_.Dm(a.f,a.q[b],d);if((!a.A[h]||a.e[h]==g)&&h!=a.s[b]){i=j_.Fm(a.f,a.q[b],d);if(!f[i]&&!j_.ok(a.f,i)){a.q[++c]=h;a.s[c]=a.q[b];a.t[c]=i;f[i]=true;e[h]?(a.r[c]=true):(e[h]=true)}}return c};j_.Uq=function Uq(){this.b=8;this.B=new k_.ci;this.L=new k_.NZ(new s_.qH)};j_.Vq=function Vq(a,b){var c;c=fK(e_.zL,b0,5,b,15,1);f_.hT(a,0,c,0,$wnd.Math.min(a.length,b));return c};KP(93,1,{},j_.Uq);_.b=0;_.c=0;_.n=0;_.o=0;_.p=false;_.u=0;_.v=0;_.I=false;_.K=0;_.M=false;e_.iM=cR(93);j_.Wq=function Wq(){};KP(111,1,{111:1},j_.Wq);_.a=0;_.b=0;_.c=0;_.d=0;e_.gM=cR(111);
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85
- j_.Mr=function Mr(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb;a.i=b;j_.$i(a.i);!!a.n&&f_.sQ(a.n,0);a.b=0;i=a.k!=0;eb=null;p=fK(e_.zL,b0,5,32,15,1);p[0]=-1;kb=fK(e_.zL,b0,5,16,15,1);nb=fK(e_.zL,b0,5,16,15,1);mb=fK(e_.zL,b0,5,16,15,1);lb=fK(e_.zL,b0,5,16,15,1);for(L=0;L<16;L++)kb[L]=-1;m=0;G=-1;qb=false;O=false;pb=false;t=0;s=1;r=0;l=new s_.wH;fb=new j_.bs(c);while(c[d]<=32)++d;while(d<e){sb=c[d++]&W_;if(QQ(sb)||sb==42||sb==63||sb==33&&i&&qb||sb==35&&i&&qb){o=-1;v=0;V=0;h=-1;D=-1;db=false;N=false;n=0;if(qb){if(sb==42){o=6;n=yP(rP(e_.cP(n),1))}else if(sb==63){o=0}else if(sb==35){Y=0;while(d<e&&PQ(c[d]&W_)){Y=10*Y+c[d]-48;++d}if(Y<1||Y>=(j_.Ji(),j_.Di).length)throw UO(new f_.WH('SmilesParser: Atomic number out of range.'));o=Y}else{P=sb==33;if(P){pb=true;n=yP(rP(e_.cP(n),1));++d}if(c[d-1]==82&&i&&(PQ(c[d]&W_)||a.a&&c[d]==123)){o=6;n=yP(rP(e_.cP(n),1));--d;P&&--d}else{Q=TQ(c[d]&W_)==(c[d]&W_)&&QQ(c[d]&W_)?2:1;o=j_.Zl(f_.OS(i_.E$(c,d-1,(S=Q,i_.B$(),S))));if(o==-1){o=6;n=yP(rP(e_.cP(n),1));--d}else{d+=Q-1;D=9;if(i&&(c[d]==44||P)){tb=false;U=false;rb=d-Q;for(ab=rb;ab<c.length;ab++){if(!QQ(c[ab]&W_)){X=j_.Zl(f_.OS(i_.E$(c,rb,(R=ab-rb,R))));if(X!=0){s_.uH(l,f_.dS(X));UQ(c[rb]&W_)==(c[rb]&W_)&&QQ(c[rb]&W_)?(tb=true):(U=true)}rb=ab+1;if(c[ab]!=44)break;if(c[ab+1]==33){if(!P)throw UO(new f_.WH("SmilesParser: inconsistent '!' in atom list."));++ab;++rb}}}if(l.a.a.length>1){D=-1;tb?U||(n=yP(rP(e_.cP(n),4))):(n=yP(rP(e_.cP(n),2)))}d=rb-1}}}}while(qb){if(c[d]==64){++d;if(c[d]==64){N=true;++d}db=true;continue}if(c[d]==58){++d;while(PQ(c[d]&W_)){V=10*V+c[d]-48;++d}continue}if(c[d]==91)throw UO(new f_.WH('SmilesParser: nested square brackets found'));if(c[d]==93){++d;qb=false;continue}if(c[d]==43){v=1;++d;while(c[d]==43){++v;++d}if(v==1&&PQ(c[d]&W_)){v=c[d]-48;++d}v==0&&(n=yP(rP(e_.cP(n),J0)));continue}if(c[d]==45){v=-1;++d;while(c[d]==45){--v;++d}if(v==-1&&PQ(c[d]&W_)){v=48-c[d];++d}v==0&&(n=yP(rP(e_.cP(n),J0)));continue}P=c[d]==33;P&&++d;if(c[d]==72){++d;d+=j_.$r(fb,c,d,1);D=fb.c;F=0;fb.c<=0&&fb.b>=0&&(F=yP(rP(e_.cP(F),128)));fb.c<=1&&fb.b>=1&&(F=yP(rP(e_.cP(F),256)));fb.c<=2&&fb.b>=2&&(F=yP(rP(e_.cP(F),512)));fb.c<=3&&fb.b>=3&&(F=yP(rP(e_.cP(F),H0)));if(P){n|=F;D=-1}else{if(fb.b==fb.c){D=fb.c}else{n=yP(rP(e_.cP(n),WO(G0,e_.cP(~F))));D=-1}}continue}if(c[d]==68){++d;d+=j_.$r(fb,c,d,1);F=0;fb.c<=0&&fb.b>=0&&(F=rP(F,v1));fb.c<=1&&fb.b>=1&&(F=rP(F,l1));fb.c<=2&&fb.b>=2&&(F=rP(F,h1));fb.c<=3&&fb.b>=3&&(F=rP(F,c2));fb.c<=4&&fb.b>=4&&(F=rP(F,O0));if(_O(F,0)!=0){P||(F=AP(F,N0));n=yP(rP(e_.cP(n),F))}continue}if(c[d]==122&&a.a){++d;d+=j_.$r(fb,c,d,4);F=0;fb.c<=0&&fb.b>=0&&(F=rP(F,X0));fb.c<=1&&fb.b>=1&&(F=rP(F,1099511627776));fb.c<=2&&fb.b>=2&&(F=rP(F,2199023255552));fb.c<=3&&fb.b>=3&&(F=rP(F,4398046511104));fb.c<=4&&fb.b>=4&&(F=rP(F,W0));if(_O(F,0)!=0){P||(F=AP(F,R0));n=yP(rP(e_.cP(n),F))}continue}if(c[d]==88){++d;d+=j_.$r(fb,c,d,1);zb=(j_.Ji(),j_.Ei)[o];if(zb==null)continue;vb=zb[0];F=0;vb-fb.c<=0&&vb-fb.b>=0&&(F=rP(F,C0));vb-fb.c<=1&&vb-fb.b>=1&&(F=rP(F,32768));vb-fb.c<=2&&vb-fb.b>=2&&(F=rP(F,V_));if(_O(F,0)!=0){P||(F=AP(F,M0));n=yP(rP(e_.cP(n),F))}continue}if(c[d]==65||c[d]==97){++d;n=yP(rP(e_.cP(n),P^c[d]==65?4:2));continue}if(c[d]==82){++d;d+=j_.$r(fb,c,d,3);F=0;fb.c<=0&&fb.b>=0&&(F=rP(F,8));fb.c<=1&&fb.b>=1&&(F=rP(F,16));fb.c<=2&&fb.b>=2&&(F=rP(F,32));fb.c<=3&&fb.b>=3&&(F=rP(F,64));fb.b>3&&j_.Sr(a,(P?'!R':'R')+fb.b);if(_O(F,0)!=0){P||(F=AP(F,120));n=yP(rP(e_.cP(n),F))}continue}if(c[d]==114){++d;d+=j_.$r(fb,c,d,1);if(fb.a){P?(n=yP(rP(e_.cP(n),96))):(n=yP(rP(e_.cP(n),8)));continue}ob=fb.c;fb.b>fb.c&&j_.Sr(a,(P?'!r':'r')+('{'+fb.c+'-'+fb.b+'}'));!P&&ob>=3&&ob<=7?(n|=ob<<22):fb.b>fb.c||j_.Sr(a,(P?'!r':'r')+ob);continue}if(c[d]==118){++d;d+=j_.$r(fb,c,d,1);vb=fb.c;fb.b>fb.c&&j_.Sr(a,(P?'!v':'v')+('{'+fb.c+'-'+fb.b+'}'));!P&&vb<=14?(h=vb):fb.b>fb.c||j_.Sr(a,(P?'!v':'v')+vb);continue}if(i&&(c[d]==59||c[d]==38)){pb=true;++d;continue}throw UO(new f_.WH("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&W_)+"'"))}}else if(sb==42){o=6;n=yP(rP(e_.cP(n),1))}else if(sb==63){o=0}else if((sb==65||sb==97)&&i){o=6;n=yP(rP(e_.cP(n),1));n=yP(rP(e_.cP(n),sb==65?4:2));pb=true}else{switch(UQ(sb)){case 66:if(d<e&&c[d]==114){o=35;++d}else o=5;break;case 67:if(d<e&&c[d]==108){o=17;++d}else o=6;break;case 70:o=9;break;case 73:o=53;break;case 78:o=7;break;case 79:o=8;break;case 80:o=15;break;case 83:o=16;}}if(o==-1&&sb!=63)throw UO(new f_.WH('SmilesParser: unknown element label found'));k=j_.Li(a.i,o);j_.Uk(a.i,k,v);j_.al(a.i,k,V,false);j_.Sk(a.i,k,h);if(n!=0){pb=true;if(pP(WO(e_.cP(n),2),0)){n=yP(WO(e_.cP(n),-3));j_.bl(a.i,k,true);++a.b}else{j_.bl(a.i,k,false)}j_.el(a.i,k,e_.cP(n),true)}if(l.a.a.length!=0){pb=true;T=fK(e_.zL,b0,5,l.a.a.length,15,1);for(K=0;K<l.a.a.length;K++)T[K]=(K<0?null:k_.Qh(l.a,K)).a;j_.$k(a.i,k,T);i_._$(l.a.a).length=0}else{if(TQ(sb)==sb&&QQ(sb)){if(o!=5&&o!=6&&o!=7&&o!=8&&o!=15&&o!=16&&o!=33&&o!=34)throw UO(new f_.WH('SmilesParser: atomicNo '+o+' must not be aromatic'));j_.bl(a.i,k,true);++a.b}else{j_.bl(a.i,k,false)}}if(D!=-1&&o!=1){u=fK(e_.vL,u1,5,1,15,1);u[0]=(D==9?0:D)<<24>>24;j_.Yk(a.i,k,u)}G=p[t];if(p[t]!=-1&&s!=128){q=j_.Ni(a.i,p[t],k,s);if(r!=0){pb=true;j_.ul(a.i,q,r,true)}}s=1;r=0;p[t]=k;if(m!=0){j_.cl(a.i,k,m);m=0}if(g){bb=!eb?null:k_.$W(eb,f_.dS(G));!!bb&&j_.Wr(bb,k,d);if(db){!eb&&(eb=new k_.XY);J=D==9?0:D;k_.PY(eb,f_.dS(k),new j_.Zr(k,d-2,G,J,N))}}continue}if(sb==46){p[t]=-1;s=128;continue}if(sb==45||sb==61||sb==35||sb==58||sb==47||sb==92||sb==60||sb==126||sb==33||sb==64){if(qb)throw UO(new f_.WH("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(sb)+"'"));B=0;while(sb==45||sb==61||sb==35||sb==58||sb==47||sb==92||sb==60||sb==126||sb==33||sb==64){if(sb==33){sb=c[d++]&W_;sb==64&&(r|=32);if(sb==45&&c[d]==62||sb==60&&c[d]==45){B|=32;++d}else if(sb==45)B|=1;else if(sb==61)B|=2;else if(sb==35)B|=4;else if(sb==58)B|=8;else throw UO(new f_.WH("SmilesParser: bond symbol '"+String.fromCharCode(sb)+"' not allowed after '!'."))}else{if(sb==64)r|=64;else if(sb==61)s=2;else if(sb==35)s=4;else if(sb==58)s=64;else if(sb==126)r|=31;else if(sb==47){g&&(s=17)}else if(sb==92){g&&(s=9)}else if(sb==45&&c[d]==62||sb==60&&c[d]==45){s=32;++d}if(c[d]==44){r|=(s==32?62:sb)==61?2:(s==32?62:sb)==35?4:(s==32?62:sb)==58?8:(s==32?62:sb)==62?16:(s==32?62:sb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){r|=16;d+=3}else{r|=j_.Ir(c[d+1]&W_);d+=2}}}}if(c[d]==59){++d;sb=c[d++]&W_;continue}B!=0&&(r|=31&~B);break}continue}if(sb<=32){d=e;continue}if(PQ(sb)){Y=sb-48;if(qb){while(d<e&&PQ(c[d]&W_)){Y=10*Y+c[d]-48;++d}m=Y}else{I=c[d-2]==45||c[d-2]==47||c[d-2]==92||c[d-2]==61||c[d-2]==35||c[d-2]==58||c[d-2]==62||c[d-2]==126;if(O&&d<e&&PQ(c[d]&W_)){Y=10*Y+c[d]-48;O=false;++d}if(Y>=kb.length){if(Y>=100)throw UO(new f_.WH('SmilesParser: ringClosureAtom number out of range'));Z=kb.length;W=kb.length;while(W<=Y)W=$wnd.Math.min(100,W+16);kb=(i_.P$(W),k_.IX(kb,fK(e_.zL,b0,5,W,15,1),W));nb=(i_.P$(W),k_.IX(nb,fK(e_.zL,b0,5,W,15,1),W));mb=(i_.P$(W),k_.IX(mb,fK(e_.zL,b0,5,W,15,1),W));lb=(i_.P$(W),k_.IX(lb,fK(e_.zL,b0,5,W,15,1),W));for(K=Z;K<W;K++)kb[K]=-1}if(kb[Y]==-1){kb[Y]=p[t];nb[Y]=d-1;mb[Y]=I?s:-1;lb[Y]=I?r:0}else{if(kb[Y]==p[t])throw UO(new f_.WH('SmilesParser: ring closure to same atom'));if(g&&!!eb){bb=k_.$W(eb,f_.dS(kb[Y]));!!bb&&j_.Wr(bb,p[t],nb[Y]);bb=k_.$W(eb,f_.dS(p[t]));!!bb&&j_.Wr(bb,kb[Y],d-1)}mb[Y]!=-1?(s=mb[Y]):s==17?(s=9):s==9&&(s=17);q=j_.Ni(a.i,kb[Y],p[t],s);lb[Y]!=0&&(r=lb[Y]);if(r!=0){pb=true;j_.ul(a.i,q,lb[Y],true)}kb[Y]=-1}s=1;r=0}continue}if(sb==43){throw UO(new f_.WH("SmilesParser: '+' found outside brackets"))}if(sb==40){if(p[t]==-1)throw UO(new f_.WH('Smiles with leading parenthesis are not supported'));++t;p.length==t&&(p=k_.HX(p,p.length+32));p[t]=p[t-1];continue}if(sb==41){--t;continue}if(sb==91){qb=true;continue}if(sb==93){throw UO(new f_.WH('SmilesParser: closing bracket at unexpected position'))}if(sb==37){O=true;continue}throw UO(new f_.WH("SmilesParser: unexpected character outside brackets: '"+String.fromCharCode(sb)+"'"))}if(s!=1)throw UO(new f_.WH('SmilesParser: dangling open bond'));for(hb=kb,ib=0,jb=hb.length;ib<jb;++ib){gb=hb[ib];if(gb!=-1)throw UO(new f_.WH('SmilesParser: dangling ring closure'))}H=j_.Pm(a.i);j_.zl(a.i,true);j_.is(a.i,1);for(j=0;j<a.i.o;j++){if(j_.sj(a.i,j)!=null){C=j_.tj(a.i,j)[0];if(a.g){for(K=0;K<C;K++)j_.Ni(a.i,j,j_.Li(a.i,1),1)}else if(pb||a.k==2){C==0&&j_.el(a.i,j,1792,true);C==1&&j_.el(a.i,j,1664,true);C==2&&j_.el(a.i,j,1408,true);C==3&&j_.el(a.i,j,896,true)}else{if(!j_.vk(a.i,j)||j_.Hj(a.i,j)==6&&j_.qj(a.i,j)==0){zb=j_.Wl(j_.Hj(a.i,j));w=false;ub=j_.Wm(a.i,j);ub-=j_._j(a.i,j,ub);ub+=C;j_.vk(a.i,j)&&++ub;for(wb=zb,xb=0,yb=wb.length;xb<yb;++xb){vb=wb[xb];if(ub<=vb){w=true;vb==ub+2?j_.fl(a.i,j,48):vb==ub+1?j_.fl(a.i,j,32):(vb!=ub||vb!=zb[0])&&j_.Sk(a.i,j,ub);break}}w||j_.Sk(a.i,j,ub)}if(!j_.Vn(a.i,j)){for(K=0;K<C;K++)j_.Ni(a.i,j,j_.Li(a.i,1),1)}}}else if(!a.g&&(pb||a.k==2)){C=j_.Im(a.i,j);C>=1&&j_.el(a.i,j,128,true);C>=2&&j_.el(a.i,j,256,true);C>=3&&j_.el(a.i,j,512,true);C>=4&&j_.el(a.i,j,H0,true)}}!a.g&&(pb||a.k==2)&&j_.Nn(a.i,false);j_.is(a.i,1);j_.Kr(a);j_.Lr(a,i);a.i.r=null;j_.zl(a.i,false);if(g){j_.Hr(a);if(eb){for(cb=($=new k_.fZ((new k_.kZ((new k_.DW(eb)).a)).b),new k_.KW($));k_.FV(cb.a.a);){bb=(A=k_.dZ(cb.a),A.Yb());j_.dl(a.i,bb.a,j_.Xr(bb,H),false)}j_.Qn(a.i,0)}}j_.Qn(a.i,0);if(f){M=new m_.eu(a.d);pP(a.j,0)&&m_.au(M,a.j);m_.Nt(M,a.i);g&&j_.vs(a.i)}(pb||a.k==2)&&j_.xl(a.i,true)};j_.Nr=function Nr(a,b,c,d){j_.Mr(a,b,c,0,c.length,false,d)};j_.Or=function Or(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;h=s_.iH(b,0);i=h==-1?-1:s_.iH(b,h+1);if(i==-1)throw UO(new f_.WH("Missing one or both separators ('>')."));if(s_.iH(b,i+1)!=-1)throw UO(new f_.WH("Found more than 2 separators ('>')."));n=new o_.Tv;o=0;for(f=o;f<h-1;f++){if(b[f]==46&&b[f+1]==46){if(f>o){l=new j_.zs;j_.Mr(a,l,b,o,f,true,true);k_.Lh(n.g,l);n.d=-1}o=f+2}}m=new j_.zs;j_.Mr(a,m,b,o,h,true,true);k_.Lh(n.g,m);n.d=-1;if(i-h>1){o=h+1;for(g=o;g<i-1;g++){if(b[g]==46&&b[g+1]==46){if(g>o){c=new j_.zs;j_.Mr(a,c,b,o,g,true,true);k_.Lh(n.a,c)}o=g+2}}d=new j_.zs;j_.Mr(a,d,b,o,i,true,true);k_.Lh(n.a,d)}o=i+1;for(e=o;e<b.length-1;e++){if(b[e]==46&&b[e+1]==46){if(e>o){j=new j_.zs;j_.Mr(a,j,b,o,e,true,true);k_.Lh(n.f,j);n.d=-1}o=e+2}}k=new j_.zs;j_.Mr(a,k,b,o,b.length,true,true);k_.Lh(n.f,k);n.d=-1;return n};j_.Pr=function Pr(a,b){var 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0;C=e+$wnd.Math.sqrt(d);k=fK(e_.xL,d1,5,36,15,1);for(o=0;o<a.e.length;o++){f=m_.Cu(b,c,a.a[o],a.b[o]);h=m_.Ju(yP(fP($wnd.Math.round(f*36/z0))));l=b-a.a[o];m=c-a.b[o];F=l*l+m*m;k[h]<F&&(k[h]=F)}v=-1;u=-1;for(p=0;p<36;p++){k[p]=$wnd.Math.sqrt(k[p]);if(v<k[p]){v=k[p];u=p}}D=u-18<0?u-18+36:u-18>=36?u-18-36:u-18;for(q=0;q<=18;q++){k[D+q<0?D+q+36:D+q>=36?D+q-36:D+q]+=0.01*q;k[D-q<0?D-q+36:D-q>=36?D-q-36:D-q]+=0.01*q}G=fK(e_.xL,d1,5,9,15,1);i=fK(e_.xL,d1,5,9,15,1);for(r=1;r<9;r++){G[r]=$wnd.Math.sin(r*p2);i[r]=$wnd.Math.cos(r*p2)}A=D1;w=-1;for(g=0;g<36;g++){if(k[g]>=A)continue;t=k[g];for(n=1;n<9;n++){for(s=-1;s<=1;s+=2){B=g+s*n<0?g+s*n+36:g+s*n>=36?g+s*n-36:g+s*n;if(k[B]*i[n]<=t)continue;j=i[n]*$wnd.Math.min(k[B],C/G[n]);if(t<j){t=j;if(A<=t)break}}if(A<=t)break}if(A>t){A=t;w=g}}return z0*w/36};m_.Ju=function Ju(a){return a<0?a+36:a>=36?a-36:a};m_.Ku=function Ku(a,b){var c,d,e;if(b.e.length!=a.e.length)return false;d=m_.Su(a);e=m_.Su(b);for(c=0;c<d.length;c++)if(d[c]!=e[c])return false;return true};m_.Lu=function Lu(a,b,c){var d,e,f;for(f=0;f<a.e.length;f++){e=$wnd.Math.sqrt((a.a[f]-b)*(a.a[f]-b)+(a.b[f]-c)*(a.b[f]-c));d=0-m_.Cu(b,c,a.a[f],a.b[f]);a.a[f]=b+e*$wnd.Math.sin(d);a.b[f]=c+e*$wnd.Math.cos(d)}};m_.Mu=function Mu(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;a.d==null&&(a.d=fK(e_.zL,r1,6,a.j.p,0,2));if(a.d[b]==null){n=fK(e_.zL,b0,5,a.e.length,15,1);t=fK(e_.PO,v0,5,a.j.o,16,1);e=j_.Mj(a.j,0,b);f=j_.Mj(a.j,1,b);n[0]=e;t[e]=true;k=0;o=0;while(k<=o){for(q=0;q<j_.pm(a.j,n[k]);q++){g=j_.Dm(a.j,n[k],q);if(!t[g]&&g!=f){n[++o]=g;t[g]=true}}if(k==o)break;++k}m=o+1>(a.e.length/2|0);if(a.i){i=false;h=false;for(q=0;q<a.e.length;q++){d=a.e[q];j_.vk(a.j,d)&&d!=e&&d!=f&&(t[a.e[q]]?(i=true):(h=true))}i!=h&&(m=i)}j=2;a.d[b]=fK(e_.zL,b0,5,m?a.e.length-o:o+2,15,1);for(r=0;r<a.e.length;r++){a.e[r]==e?(a.d[b][m?0:1]=r):a.e[r]==f?(a.d[b][m?1:0]=r):m^t[a.e[r]]&&(a.d[b][j++]=r)}}v=a.a[a.d[b][0]];w=a.b[a.d[b][0]];u=m_.Cu(v,w,a.a[a.d[b][1]],a.b[a.d[b][1]]);for(p=2;p<a.d[b].length;p++){s=a.d[b][p];l=$wnd.Math.sqrt((a.a[s]-v)*(a.a[s]-v)+(a.b[s]-w)*(a.b[s]-w));c=2*u-m_.Cu(v,w,a.a[s],a.b[s]);a.a[s]=v+l*$wnd.Math.sin(c);a.b[s]=w+l*$wnd.Math.cos(c)}};m_.Nu=function Nu(a,b){return a.a[b]};m_.Ou=function Ou(a,b){return a.b[b]};m_.Pu=function Pu(a){var b,c,d,e,f,g,h,i;a.c=0;c=new k_.ci;for(e=1;e<a.e.length;e++){for(f=0;f<e;f++){h=$wnd.Math.abs(a.a[e]-a.a[f]);i=$wnd.Math.abs(a.b[e]-a.b[f]);d=$wnd.Math.sqrt(h*h+i*i);if(d<0.8){b=fK(e_.zL,b0,5,2,15,1);b[0]=a.e[e];b[1]=a.e[f];i_.x$(c.a,b)}g=1-$wnd.Math.min(d,1);a.c+=g*g}}return c};m_.Qu=function Qu(a,b){return a.e[b]};m_.Ru=function Ru(a,b){var c;for(c=0;c<a.e.length;c++)if(b==a.e[c])return c;return -1};m_.Su=function Su(a){if(a.n==null){a.n=k_.HX(a.e,a.e.length);i_.z$(a.n,i_._$(NP(k_.dY.prototype.Zb,k_.dY,[])))}return a.n};m_.Tu=function Tu(a,b){var c;for(c=0;c<a.e.length;c++)if(b==a.e[c])return true;return false};m_.Uu=function Uu(a){var b,c,d,e,f,g;d=0;for(f=0;f<a.e.length;f++){b=a.e[f];c=j_.pm(a.j,b);for(g=0;g<c;g++)j_.Dm(a.j,b,g)>b&&++d}a.f=fK(e_.zL,b0,5,d,15,1);a.g=fK(e_.zL,b0,5,a.j.o,15,1);d=0;for(e=0;e<a.e.length;e++){b=a.e[e];c=j_.pm(a.j,b);a.g[b]=e;for(g=0;g<c;g++)j_.Dm(a.j,b,g)>b&&(a.f[d++]=j_.Fm(a.j,b,g))}};m_.Vu=function Vu(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;o=a.a[b];s=a.b[b];f=fK(e_.BM,S_,22,4,0,1);k=0;for(l=0;l<a.f.length;l++){if(k>=4)break;if(b==a.g[j_.Mj(a.j,0,a.f[l])]||b==a.g[j_.Mj(a.j,1,a.f[l])])continue;p=a.a[a.g[j_.Mj(a.j,0,a.f[l])]];t=a.b[a.g[j_.Mj(a.j,0,a.f[l])]];q=a.a[a.g[j_.Mj(a.j,1,a.f[l])]];u=a.b[a.g[j_.Mj(a.j,1,a.f[l])]];h=$wnd.Math.sqrt((p-o)*(p-o)+(t-s)*(t-s));i=$wnd.Math.sqrt((q-o)*(q-o)+(u-s)*(u-s));e=$wnd.Math.sqrt((q-p)*(q-p)+(u-t)*(u-t));if(h<e&&i<e){if(p==q){g=$wnd.Math.abs(o-p);g<0.5&&(f[k++]=new m_.Au(m_.Cu(p,s,o,s),(0.5-g)/2))}else if(t==u){g=$wnd.Math.abs(s-t);g<0.5&&(f[k++]=new m_.Au(m_.Cu(o,t,o,s),(0.5-g)/2))}else{m=(u-t)/(q-p);n=-1/m;c=t-m*p;d=s-n*o;r=(d-c)/(m-n);v=m*r+c;g=$wnd.Math.sqrt((r-o)*(r-o)+(v-s)*(v-s));g<0.5&&(f[k++]=new m_.Au(m_.Cu(r,v,o,s),(0.5-g)/2))}continue}if(h<0.5){f[k++]=new m_.Au(m_.Cu(p,t,o,s),(0.5-h)/2);continue}if(i<0.5){f[k++]=new m_.Au(m_.Cu(q,u,o,s),(0.5-i)/2);continue}}if(k>0){j=m_.fu(f,k);a.a[b]+=j.b*$wnd.Math.sin(j.a);a.b[b]+=j.b*$wnd.Math.cos(j.a)}};m_.Wu=function Wu(a,b,c,d){var e,f,g;for(g=0;g<a.e.length;g++){f=$wnd.Math.sqrt((a.a[g]-b)*(a.a[g]-b)+(a.b[g]-c)*(a.b[g]-c));e=m_.Cu(b,c,a.a[g],a.b[g])+d;a.a[g]=b+f*$wnd.Math.sin(e);a.b[g]=c+f*$wnd.Math.cos(e)}};m_.Xu=function Xu(a,b,c){var d;for(d=0;d<a.e.length;d++){a.a[d]+=b;a.b[d]+=c}};m_.Yu=function Yu(a,b,c){this.j=a;this.i=c;this.e=fK(e_.zL,b0,5,b,15,1);this.k=fK(e_.zL,b0,5,b,15,1);this.a=fK(e_.xL,d1,5,b,15,1);this.b=fK(e_.xL,d1,5,b,15,1)};m_.Zu=function Zu(a){var b,c;this.j=a.j;this.i=a.i;this.e=fK(e_.zL,b0,5,a.e.length,15,1);this.k=fK(e_.zL,b0,5,a.e.length,15,1);this.a=fK(e_.xL,d1,5,a.e.length,15,1);this.b=fK(e_.xL,d1,5,a.e.length,15,1);for(c=0;c<a.e.length;c++){this.e[c]=a.e[c];this.k[c]=a.k[c];this.a[c]=a.a[c];this.b[c]=a.b[c]}if(a.f!=null){this.f=fK(e_.zL,b0,5,a.f.length,15,1);for(b=0;b<a.f.length;b++)this.f[b]=a.f[b]}if(a.g!=null){this.g=fK(e_.zL,b0,5,a.g.length,15,1);for(b=0;b<a.g.length;b++)this.g[b]=a.g[b]}};KP(29,1,{29:1},m_.Yu,m_.Zu);_.c=0;_.i=false;e_.FM=cR(29);m_.$u=function $u(a){this.b=a;this.c=false};KP(129,1,{129:1},m_.$u);_.a=0;_.c=false;e_.GM=cR(129);KP(183,1,{});e_.HM=cR(183);n_._u=function _u(a){};n_.av=function av(a){var b,c,d;b=0;c=0;for(d=0;d<a.g.a.length+a.f.a.length;d++){b+=j_.Ij(d<a.g.a.length?k_.Qh(a.g,d):k_.Qh(a.f,d-a.g.a.length))*(d<a.g.a.length?k_.Qh(a.g,d):k_.Qh(a.f,d-a.g.a.length)).p;c+=(d<a.g.a.length?k_.Qh(a.g,d):k_.Qh(a.f,d-a.g.a.length)).p}if(c!=0)return c/b;return 1};n_.bv=function bv(b,c){var 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j_.nj(this.a,a,b)};_.findRingSystem=function QA(a,b,c,d){j_.mm(this.a,a,b,c,d)};_.getAbsoluteAtomParity=function YA(a){return j_.js(this.a,a)};_.getAbsoluteBondParity=function ZA(a){return j_.ks(this.a,a)};_.getAllAtoms=function $A(){return this.a.o};_.getAllBonds=function _A(){return this.a.p};_.getAllConnAtoms=function aB(a){return j_.pm(this.a,a)};_.getAllConnAtomsPlusMetalBonds=function bB(a){return j_.qm(this.a,a)};_.getAllHydrogens=function cB(a){return j_.rm(this.a,a)};_.getAromaticRingCount=function fB(){return j_.sm(this.a)};_.getAtomAbnormalValence=function gB(a){return j_.oj(this.a,a)};_.getAtomCIPParity=function hB(a){return j_.pj(this.a,a)};_.getAtomCharge=function iB(a){return j_.qj(this.a,a)};_.getAtomColor=function jB(a){return j_.rj(this.a,a)};_.getAtomCustomLabel=function kB(a){return j_.sj(this.a,a)};_.getAtomESRGroup=function lB(a){return j_.uj(this.a,a)};_.getAtomESRType=function mB(a){return j_.vj(this.a,a)};_.getAtomLabel=function nB(a){return j_.wj(this.a,a)};_.getAtomList=function oB(a){return j_.xj(this.a,a)};_.getAtomListString=function pB(a){return j_.yj(this.a,a)};_.getAtomMapNo=function qB(a){return j_.zj(this.a,a)};_.getAtomMass=function rB(a){return j_.Aj(this.a,a)};_.getAtomParity=function sB(a){return j_.Bj(this.a,a)};_.getAtomPi=function tB(a){return j_.tm(this.a,a)};_.getAtomPreferredStereoBond=function uB(a){return j_.um(this.a,a)};_.getAtomRadical=function vB(a){return j_.Dj(this.a,a)};_.getAtomRingBondCount=function wB(a){return j_.vm(this.a,a)};_.getAtomRingCount=function xB(a,b){return j_.wm(this.a,a,b)};_.getAtomRingSize=function yB(a){return j_.xm(this.a,a)};_.getAtomX=function zB(a){return j_.Ej(this.a,a)};_.getAtomY=function AB(a){return j_.Fj(this.a,a)};_.getAtomZ=function BB(a){return j_.Gj(this.a,a)};_.getAtomicNo=function CB(a){return j_.Hj(this.a,a)};_.getAtoms=function EB(){return this.a.d};_.getAverageBondLength=function FB(a){return j_.zm(this.a,a)};_.getAverageTopologicalAtomDistance=function GB(){return j_.Am(this.a)};_.getBond=function HB(a,b){return j_.Bm(this.a,a,b)};_.getBondAngle=function IB(a,b){return j_.Lj(this.a,a,b)};_.getBondAtom=function JB(a,b){return j_.Mj(this.a,a,b)};_.getBondBridgeMaxSize=function KB(a){return j_.Nj(this.a,a)};_.getBondBridgeMinSize=function LB(a){return j_.Oj(this.a,a)};_.getBondCIPParity=function MB(a){return j_.Pj(this.a,a)};_.getBondESRGroup=function NB(a){return j_.Qj(this.a,a)};_.getBondESRType=function OB(a){return j_.Rj(this.a,a)};_.getBondLength=function PB(a){return j_.Sj(this.a,a)};_.getBondOrder=function QB(a){return j_.Uj(this.a,a)};_.getBondParity=function RB(a){return j_.Vj(this.a,a)};_.getBondPreferredStereoBond=function SB(a){return j_.Ln(this.a,a)};_.getBondQueryFeatures=function TB(a){return j_.Wj(this.a,a)};_.getBondRingSize=function UB(a){return j_.Cm(this.a,a)};_.getBondType=function VB(a){return j_.Xj(this.a,a)};_.getBondTypeSimple=function WB(a){return j_.Yj(this.a,a)};_.getBonds=function XB(){return this.a.e};_.getBounds=function YB(){var a;a=j_.Zj(this.a,r_.Sz);if(!a)return null;return r_.Vz(a.c,a.d,a.b,a.a)};_.getCanonizedIDCode=function ZB(a){var b;b=new j_.If(this.a,a);return j_.mf(b)};_.getChiralText=function $B(){return j_.ls(this.a)};_.getChirality=function _B(){return this.a.G};_.getCompactCopy=function aC(){return new r_.Zz(j_.ms(this.a))};_.getConnAtom=function bC(a,b){return j_.Dm(this.a,a,b)};_.getConnAtoms=function cC(a){return j_.Em(this.a,a)};_.getConnBond=function dC(a,b){return j_.Fm(this.a,a,b)};_.getConnBondOrder=function eC(a,b){return j_.Gm(this.a,a,b)};_.getDefaultMaxValenceUncharged=function gC(a){return j_.$j(this.a,a)};_.getDiastereotopicAtomIDs=function hC(){return l_.Ys(this.a)};_.getElectronValenceCorrection=function iC(a,b){return j_._j(this.a,a,b)};_.getExcludedNeighbourCount=function jC(a){return j_.Hm(this.a,a)};_.getExplicitHydrogens=function kC(a){return j_.Im(this.a,a)};_.getFisherProjectionParity=function lC(a,b,c,d){return j_.Km(this.a,a,b,c,d)};_.getFragmentAtoms=function mC(a,b){return j_.Lm(this.a,a,b)};_.getFragmentNumbers=function nC(a,b,c){return j_.Mm(this.a,a,b,c)};_.getFragments=function oC(){var a,b,c;a=j_.os(this.a);c=fK(e_.QM,S_,31,a.length,0,1);for(b=0;b<a.length;b++){c[b]=new r_.Zz(a[b])}return c};_.getFreeValence=function pC(a){return j_.Nm(this.a,a)};_.getHandleHydrogenMap=function qC(){return j_.Pm(this.a)};_.getHelperArrayStatus=function rC(){return this.a.R};_.getHoseCodes=function sC(a){a=a||{};var b=(typeof a.maxSphereSize===v2?5:a.maxSphereSize)|0;var c=(typeof a.type===v2?0:a.type)|0;return l_.$s(this.a,b,c)};_.getIDCode=function tC(){return j_.qs(this.a)};_.getIDCodeAndCoordinates=function uC(){return {idCode:this.getIDCode(),coordinates:this.getIDCoordinates()}};_.getIDCoordinates=function vC(){return j_.rs(this.a)};_.getImplicitHigherValence=function wC(a,b){return j_.Qm(this.a,a,b)};_.getImplicitHydrogens=function xC(a){return j_.Rm(this.a,a)};_.getIndex=function yC(){return j_.$q(r_.eH(r_.Tz),this.a)};_.getLowestFreeValence=function zC(a){return j_.Sm(this.a,a)};_.getMaxAtoms=function AC(){return this.a.K};_.getMaxBonds=function BC(){return this.a.L};_.getMaxValence=function CC(a){return j_.ak(this.a,a)};_.getMaxValenceUncharged=function DC(a){return j_.bk(this.a,a)};_.getMetalBondedConnAtoms=function EC(a){return j_.Tm(this.a,a)};_.getMolecularFormula=function FC(){return new r_.$G(this.a)};_.getMoleculeColor=function GC(){return this.a.M};_.getMolweight=function HC(){return j_.Um(this.a)};_.getName=function IC(){return this.a.N};_.getNonHydrogenNeighbourCount=function JC(a){return j_.Vm(this.a,a)};_.getNumberOfHydrogens=function KC(){return l_.pt(this.a)};_.getOCL=function LC(){return $wnd.OCL};_.getOccupiedValence=function MC(a){return j_.Wm(this.a,a)};_.getPath=function NC(a,b,c,d,e){return j_.Ym(this.a,a,b,c,d,e)};_.getPathBonds=function OC(a,b,c){j_.Zm(this.a,a,b,c)};_.getPathLength=function PC(a,b){return j_.$m(this.a,a,b)};_.getRingSet=function QC(){return new r_.aG(j_.bn(this.a))};_.getRotatableBondCount=function RC(){return j_.cn(this.a)};_.Cb=function SC(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o;j=r_.gH(g);i=new j_.yr(this.a,j,f);i.G=c;j_.Gd(i,new q_.rw(0,0,a,b));h=i.t;j_.zd(i);o=j_.wr(i);if(d){l=yP(fP($wnd.Math.round(h.b+e*2)));k=yP(fP($wnd.Math.round(h.a+e*2)));m=yP(fP($wnd.Math.round(h.c-e)));n=yP(fP($wnd.Math.round(h.d-e)));return f_.GS(o,'width="'+l+'px" height="'+k+'px" viewBox="'+m+' '+n+' '+l+' '+k+'"')}else{return o}};_.getStereoBond=function TC(a){return j_.fn(this.a,a)};_.getStereoCenterCount=function UC(){return j_.ss(this.a)};_.getStereoProblem=function VC(a){return j_.dk(this.a,a)};
88
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Yc(a,b,c,d,e,f,g){g.a=b.a+e;g.c=b.c+f;g.b=b.b+e;g.d=b.d+f;B0.Xc(a,g,c,d)};B0.Zc=function Zc(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;l=b.b-b.a;o=b.d-b.c;i=$wnd.Math.sqrt(l*l+o*o);j=2*RQ(yQ($wnd.Math.round(i/(4*a.W))));m=l/(j-1);p=o/(j-1);if(B0.xk(a.J,B0.Nm(a.J,c,d))){e=-3;f=-3}else{e=a.p[c];f=a.p[d]}k=b.a-a.W/2;n=b.c-a.W/2;B0.Jd(a,e);for(h=0;h<(j/2|0);h++){B0.Kr(a,k,n,a.W);k+=m;n+=p}B0.Jd(a,f);for(g=0;g<(j/2|0);g++){B0.Kr(a,k,n,a.W);k+=m;n+=p}B0.Jd(a,a.O)};B0.$c=function $c(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r;i=(b.c-b.d)/9;n=(b.b-b.a)/9;j=b.b+i;o=b.d+n;k=b.b-i;p=b.d-n;l=(b.a+j)/2;q=(b.c+o)/2;m=(b.a+k)/2;r=(b.c+p)/2;g=new I0.Gw(3);h=new I0.Gw(4);I0.Fw(g,b.a,b.c);I0.Fw(g,l,q);I0.Fw(g,m,r);I0.Fw(h,m,r);I0.Fw(h,l,q);I0.Fw(h,j,o);I0.Fw(h,k,p);if(B0.xk(a.J,B0.Nm(a.J,c,d))){e=-3;f=-3}else{e=a.p[c];f=a.p[d];if(a.J.M!=1){f=B0.cd(a,c);e==B0.zj(a.J,c)&&(e=f)}}B0.Jd(a,e);B0.Ir(a,g);B0.Jd(a,f);B0.Ir(a,h);B0.Jd(a,a.O)};B0._c=function _c(a,b){var c,d;for(d=0;d<a.Y.a.length;d++)a.u=I0.Kw(a.u,C0.Yh(a.Y,d));B0.ad(a,b);c=0.1*b;a.u.c-=c;a.u.d-=c;a.u.b+=2*c;a.u.a+=2*c};B0.ad=function ad(a,b){var c,d,e,f,g,h,i;e=yL(w0.gQ,N1,5,a.J.o,16,1);for(d=0;d<a.J.p;d++){if(B0.vk(a.J,d)){e[B0.Uj(a.J,0,d)]=true;e[B0.Uj(a.J,1,d)]=true}}g=new I0.Lw;for(c=0;c<a.J.o;c++){f=IQ(nQ(B0.Kj(a.J,c),O1),0)?b*0.47:e[c]?b*0.38:0;if(f!=0){h=B0.hh(a.P,B0.Mj(a.J,c));i=B0.ih(a.P,B0.Nj(a.J,c));I0.Jw(g,h-f,i-f,f*2,f*2);a.u=I0.Kw(a.u,g)}}};B0.bd=function bd(a,b){var c;c=a.K!=0?a.K:a.B!=0?a.B:-1;return K0.HI(b,c)};B0.cd=function cd(a,b){var c,d;if((a.D&4224)!=0)return a.p[b];d=B0.dd(a,b);if(d==-1){c=B0.vm(a.J,b);if(c!=-1){b=c;d=B0.dd(a,b)}}if(d==-1)return a.p[b];switch(d&255){case 1:return 384;case 2:return 64;default:return 448;}};
74
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f,g,h,i,j,k,l,m,n,o;m=false;e.a=0;e.b=0;d>0?(f=P1):(f=Q1);o=B0.Tj(a.J,b,c);for(k=0;k<B0.Qm(a.J,b);k++){g=B0.Rm(a.J,b,k);h=o;B0.Uj(a.J,0,g)==b?(l=B0.Uj(a.J,1,g)):(l=B0.Uj(a.J,0,g));if(l==c)continue;n=B0.Tj(a.J,b,l);h<n&&(h+=R1);i=h-n;if(d>0){i<S1&&(m=true);i>P1&&(i=P1);i<0.523598776&&(i=0.523598776);if(i<=f){f=i;j=a.R*$wnd.Math.tan(f-T1)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}else{i>=S1&&(m=true);i<Q1&&(i=Q1);i>5.759586531&&(i=5.759586531);if(i>=f){f=i;j=a.R*$wnd.Math.tan(4.712388981-f)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}}return m};B0.nd=function nd(a,b,c,d){var e;if(b==0){c<0?(d.a=a.R):(d.a=-a.R);d.b=0;return}e=$wnd.Math.atan(c/b);b<0&&(e+=S1);d.a=-(a.R*$wnd.Math.sin(e));d.b=a.R*$wnd.Math.cos(e)};B0.od=function od(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;e=new B0.Rd;i=new B0.Rd;k=new I0.Cw;j=new I0.Cw;g=B0.Uj(a.J,0,c);h=B0.Uj(a.J,1,c);if(d){m=b.a;b.a=b.b;b.b=m;m=b.c;b.c=b.d;b.d=m;n=g;g=h;h=n}if(!B0.Fd(a,b))return;if(B0.Pn(a.J,c)){e.a=b.a;e.c=b.c;e.b=b.b;e.d=b.d;l=d?-B0.Ed(a,c):B0.Ed(a,c);l==0&&(l=1);B0.nd(a,b.b-b.a,b.d-b.c,k);if(l>0){i.a=b.a+k.a;i.c=b.c+k.b;i.b=b.b+k.a;i.d=b.d+k.b;if(B0.md(a,g,h,1,j)||B0.Qm(a.J,g)>1){i.a+=j.a+k.b;i.c+=j.b-k.a}}else{i.a=b.a-k.a;i.c=b.c-k.b;i.b=b.b-k.a;i.d=b.d-k.b;if(B0.md(a,g,h,-1,j)||B0.Qm(a.J,g)>1){i.a+=j.a+k.b;i.c+=j.b-k.a}}B0.dk(a.J,c)==386&&B0.Dd(e,i);B0.Fd(a,e)&&B0.Xc(a,e,g,h);B0.dk(a.J,c)==64?B0.Fd(a,i)&&B0.Vc(a,i,g,h):B0.Fd(a,i)&&B0.Xc(a,i,g,h)}else{B0.nd(a,b.b-b.a,b.d-b.c,k);o=k.a/2;p=k.b/2;f=false;e.a=b.a+o;e.c=b.c+p;e.b=b.b+o;e.d=b.d+p;if(B0.Qm(a.J,g)>1){if(B0.md(a,g,h,1,j)){e.a+=j.a;e.c+=j.b;if(B0.Qm(a.J,g)==2){if(j.a!=0||j.b!=0){e.a+=k.b;e.c-=k.a}}}else{a.o[g]=new 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j}}}t=yL(w0.gQ,N1,5,d,16,1);for(s=0;s<d;s++){k=-10;l=10;for(u=0;u<d;u++){if(u!=s){o=K0.BI(e[s],e[u]);o<0?k<o&&(k=o):l>o&&(l=o)}t[s]=l-k<S1}}w=-1;i=0;for(p=0;p<d;p++){m=a.f[b][p];n=a.i[b][p];A=B0.tn(a,n,m);t[p]&&(A+=U1);if(i<A&&(!c||!(a.F[n]==257||a.F[n]==129))){i=A;w=n}}return w};B0.Zn=function Zn(a,b){var c,d,e,f;B0.Ds(a,b?15:1);a.o=a.d;a.p=a.e;for(d=0;d<a.d;d++){if(a.c[d]!=a.g[d]){c=B0.an(a,d,false);a.c[d]=a.g[d];if(c!=-1){f=B0.an(a,d,true);if(c!=f){e=((a.s[d]&Y2)>>>27)-1;(e==-1||e<c)&&B0._k(a,d,c)}}}}b&&B0.eo(a);a.R=0};
80
+ B0.$n=function $n(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if(a.g[b]!=2||a.j[b][0]!=2||a.j[b][1]!=2||a.g[a.f[b][0]]<2||a.g[a.f[b][1]]<2||a.k[a.f[b][0]]!=1||a.k[a.f[b][1]]!=1){B0.ml(a,b,0,false);return}v=-1;u=-1;t=-1;q=-1;f=0;for(l=0;l<2;l++){d=a.f[b][l];for(o=0;o<a.c[d];o++){g=a.f[d][o];if(g!=b){h=a.i[d][o];w=B0.tn(a,h,g);if(f<w){f=w;u=g;v=h;t=d;q=a.f[b][1-l]}}}}if(u==-1)return;for(m=0;m<2;m++){d=a.f[b][m];for(o=0;o<a.c[d];o++){g=a.f[d][o];h=a.i[d][o];g!=b&&a.B[0][h]==d&&(a.F[h]=1)}}if(a.B[1][v]!=u){a.B[0][v]=a.B[1][v];a.B[1][v]=u}i=d1;for(n=0;n<a.g[t];n++){g=a.f[t][n];g!=b&&i>g&&(i=g)}r=yL(w0.TM,t1,5,2,15,1);s=0;for(k=0;k<a.g[q];k++){g=a.f[q][k];g!=b&&(r[s++]=g)}c=B0.em(a.H[b].a,a.H[b].b,a.H[q].a,a.H[q].b);e=0;if(s==2){if(r[0]>r[1]){A=r[0];r[0]=r[1];r[1]=A}j=B0.fm(c,B0.Tj(a,q,r[0]));p=B0.fm(c,B0.Tj(a,q,r[1]));e=j-p}else{e=B0.fm(c,B0.Tj(a,q,r[0]))}e<0^(a.s[b]&3)==1^i==u?(a.F[v]=257):(a.F[v]=129)};B0._n=function _n(a,b,c,d){var e,f,g,h,i,j;e=a.c[b];h=yL(w0.TM,t1,5,e,15,1);j=B0.Wm(a,b,c,d,h);if(j==3)return false;g=(a.s[b]&3)==j?257:129;for(i=0;i<e;i++){if((h[i]&1)==1){f=a.i[b][c[i]];a.F[f]=g;if(a.B[0][f]!=b){a.B[1][f]=a.B[0][f];a.B[0][f]=b}}}return true};B0.ao=function ao(a,b){a.R|=248&(8|b)};B0.bo=function bo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;B0.rm(a,b);if((a.s[b]&3)==0||(a.s[b]&3)==3)return;if(a.k[b]==2&&a.g[b]==2){B0.$n(a,b);return}if(a.g[b]<3||a.g[b]>4){B0.ml(a,b,0,false);return}c=a.c[b];o=false;for(g=0;g<c;g++){if(B0.ak(a,a.i[b][g])==1){o=true;break}}if(!o)return;p=B0.rn(a,b);d=yL(w0.RM,x2,5,c,15,1);for(h=0;h<c;h++)d[h]=B0.Tj(a,a.f[b][p[h]],b);for(i=0;i<c;i++)a.B[0][a.i[b][i]]==b&&B0.ak(a,a.i[b][i])==1&&(a.F[a.i[b][i]]=1);if((!!a.n&&b<a.d?B0.kq(a.n,b):0)<=24&&B0._n(a,b,p,d))return;m=B0.Yn(a,b,true);if(a.B[0][m]!=b){a.B[1][m]=a.B[0][m];a.B[0][m]=b}n=-1;for(j=0;j<c;j++){if(m==a.i[b][p[j]]){n=j;break}}q=GL(sL(w0.TM,2),L2,6,0,[GL(sL(w0.TM,1),t1,5,15,[2,1,2,1]),GL(sL(w0.TM,1),t1,5,15,[1,2,2,1]),GL(sL(w0.TM,1),t1,5,15,[1,1,2,2]),GL(sL(w0.TM,1),t1,5,15,[2,1,1,2]),GL(sL(w0.TM,1),t1,5,15,[2,2,1,1]),GL(sL(w0.TM,1),t1,5,15,[1,2,1,2])]);for(f=1;f<c;f++)d[f]<d[0]&&(d[f]+=R1);if(c==3){k=false;switch(n){case 0:k=d[1]<d[2]&&d[2]-d[1]<S1||d[1]>d[2]&&d[1]-d[2]>S1;break;case 1:k=d[2]-d[0]>S1;break;case 2:k=d[1]-d[0]<S1;}e=(a.s[b]&3)==1^k?257:129}else{l=0;d[1]<=d[2]&&d[2]<=d[3]?(l=0):d[1]<=d[3]&&d[3]<=d[2]?(l=1):d[2]<=d[1]&&d[1]<=d[3]?(l=2):d[2]<=d[3]&&d[3]<=d[1]?(l=3):d[3]<=d[1]&&d[1]<=d[2]?(l=4):d[3]<=d[2]&&d[2]<=d[1]&&(l=5);e=(a.s[b]&3)==1^q[l][n]==1?129:257}a.F[m]=e};B0.co=function co(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if((a.C[b]&3)==0||(a.C[b]&3)==3||!B0.Fn(a,b))return;v=-1;t=-1;u=-1;s=-1;e=0;for(l=0;l<2;l++){d=a.B[l][b];for(o=0;o<a.c[d];o++){h=a.i[d][o];if(h!=b&&B0.ak(a,h)==1){g=a.f[d][o];w=B0.tn(a,h,g);if(e<w){e=w;t=g;v=h;u=d;s=a.B[1-l][b]}}}}if(t==-1)return;for(m=0;m<2;m++){for(o=0;o<a.c[a.B[m][b]];o++){h=a.i[a.B[m][b]][o];h!=b&&B0.ak(a,h)==1&&(a.F[h]=1)}}if(a.B[1][v]!=t){a.B[0][v]=a.B[1][v];a.B[1][v]=t}i=d1;for(n=0;n<a.g[u];n++){g=a.f[u][n];a.i[u][n]!=b&&i>g&&(i=g)}q=yL(w0.TM,t1,5,2,15,1);r=0;for(k=0;k<a.g[s];k++)a.i[s][k]!=b&&(q[r++]=a.f[s][k]);f=B0.em(a.H[u].a,a.H[u].b,a.H[s].a,a.H[s].b);c=0;if(r==2){if(q[0]>q[1]){A=q[0];q[0]=q[1];q[1]=A}j=B0.fm(f,B0.Tj(a,s,q[0]));p=B0.fm(f,B0.Tj(a,s,q[1]));c=j-p}else{c=B0.fm(f,B0.Tj(a,s,q[0]))}c<0^(a.C[b]&3)==2^i==t?(a.F[v]=257):(a.F[v]=129)};B0.eo=function eo(a){var b,c,d,e;B0.Ds(a,7);for(d=0;d<a.e;d++)(a.F[d]==257||a.F[d]==129)&&(a.F[d]=1);for(b=0;b<a.d;b++)B0.bo(a,b);for(e=0;e<a.e;e++)B0.co(a,e);for(c=0;c<a.e;c++)a.F[c]==2&&(a.C[c]&3)==3&&(a.F[c]=386)};B0.fo=function fo(b,c){var d,e,f,g,h,i,j,k,l,m;i=yL(w0.TM,t1,5,b.o,15,1);h=B0.Ym(b,i,false,c);if(h<=1)return null;j=yL(w0.TM,t1,5,h,15,1);for(e=0;e<b.d;e++)++j[i[e]];l=0;m=j[0];for(k=1;k<h;k++){if(m<j[k]){m=j[k];l=k}}for(d=0;d<b.o;d++)i[d]!=l&&(b.A[d]=-1);for(g=0;g<b.p;g++)(!c&&b.F[g]==32||i[b.B[0][g]]!=l)&&(b.F[g]=512);f=B0.hj(b);b.R=0;try{B0.pm(b,true,true)}catch(a){a=kQ(a);if(!FM(a,13))throw lQ(a)}return f};B0.go=function go(a,b){if((a.s[b]&Y2)!=0)return true;if(a.A[b]==1)return false;return B0.Gk(a,b)||a.A[b]==13||a.A[b]>=171};B0.ho=function ho(a){var b,c,d,e,f,g,h,i,j,k;f=B0.Rj(a,a.o,a.p,B0.Qi);g=f*f/16;for(d=1;d<a.o;d++){for(e=0;e<d;e++){i=a.H[e].a-a.H[d].a;j=a.H[e].b-a.H[d].b;k=a.H[e].c-a.H[d].c;if(i*i+j*j+k*k<g)throw lQ(new x0.pJ('The distance between two atoms is too close.'))}}B0.Ds(a,1);b=0;for(c=0;c<a.d;c++){if(B0.gn(a,c)>(h=B0.jk(a,c),h+B0.hk(a,c,h)))throw lQ(new x0.pJ('atom valence exceeded'));b+=a.q[c]}if(b!=0)throw lQ(new x0.pJ('unbalanced atom charge'))};B0.io=function io(a,b,c){var d;d=B0.Ul(a,b,c);if(d&&c==386){B0.Ds(a,7);d=d&(a.C[b]&128)==0}return d};B0.jo=function jo(){B0.Xl.call(this)};B0.ko=function ko(a,b){B0.Yl.call(this,a,b)};B0.lo=function lo(a){B0.Yl.call(this,!a?256:a.K,!a?256:a.L);!!a&&B0.lj(a,this)};bR(69,60,{69:1,60:1,4:1});_.wb=function mo(a){B0.um(this,a)};_.vb=function no(a){return B0.In(this,a)};_.d=0;_.e=0;w0.oN=uS(69);B0.oo=function oo(a,b){return $wnd.Math.pow(10,$wnd.Math.log(2000)*$wnd.Math.LOG10E*a/(b-1)-1)};B0.po=function po(a,b){var c,d;c=b;d=0;while(b!=0){if(a.c==0){a.e=(a.b[++a.d]&63)<<11;a.c=6}d|=(l1&a.e)>>16-c+b;a.e<<=1;--b;--a.c}return d};B0.qo=function qo(a,b,c){a.c=6;a.d=c;a.b=b;a.e=(b[a.d]&63)<<11};B0.ro=function ro(a,b){var c,d,e,f;d=b/2|0;e=a>=d;e&&(a-=d);f=b/32|0;c=f*a/(d-a);return e?-c:c};B0.so=function so(a,b){var c;return b==null||A0.r0(b).length==0?null:B0.uo(a,A0.Y_((c=b,A0.T_(),c)),null)};B0.to=function to(a,b,c){var d,e;return b==null?null:B0.uo(a,A0.Y_((e=b,A0.T_(),e)),c==null?null:A0.Y_((d=c,d)))};B0.uo=function uo(a,b,c){var d,e,f,g,h;B0.qo(a,b,0);d=B0.po(a,4);g=B0.po(a,4);d>8&&(d=g);e=B0.po(a,d);f=B0.po(a,g);h=new B0.Vs(e,f);B0.vo(a,h,b,c,0);return h};B0.vo=function vo(b,c,d,e,f){var g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb,Ab,Bb,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,Vb,Wb,Xb,Yb,Zb,$b,_b,ac,bc,cc,dc,ec,fc,gc,hc,ic,jc,kc,lc,mc,nc,oc,pc,qc,rc,sc,tc,uc,vc,wc,xc,yc,zc,Ac;B0.gj(c);if(0>=d.length)return;b.f=c;uc=8;e!=null&&(f<0||f>=e.length)&&(e=null);B0.qo(b,d,0);i=B0.po(b,4);B=B0.po(b,4);if(i>8){uc=i;i=B}if(i==0){B0.Gl(b.f,B0.po(b,1)==1);return}j=B0.po(b,i);k=B0.po(b,B);ic=B0.po(b,i);mc=B0.po(b,i);lc=B0.po(b,i);O=B0.po(b,i);for(o=0;o<j;o++)B0.Ti(b.f,6);for(kb=0;kb<ic;kb++)B0.ul(b.f,B0.po(b,i),7);for(lb=0;lb<mc;lb++)B0.ul(b.f,B0.po(b,i),8);for(wb=0;wb<lc;wb++)B0.ul(b.f,B0.po(b,i),B0.po(b,8));for(Hb=0;Hb<O;Hb++)B0.bl(b.f,B0.po(b,i),B0.po(b,4)-8);P=1+k-j;V=B0.po(b,4);A=0;B0.rl(b.f,0,0);B0.sl(b.f,0,0);B0.tl(b.f,0,0);W=e!=null&&e[f]>=39;tc=0;wc=0;yc=0;Ac=0;R=false;S=false;if(W){if(e.length>2*j-2&&e[2*j-2]==39||e.length>3*j-3&&e[3*j-3]==39){S=true;R=e.length==3*j-3+9;_b=R?3*j-3:2*j-2;w=86*(e[_b+1]-40)+e[_b+2]-40;tc=$wnd.Math.pow(10,w/2000-1);_b+=2;vc=86*(e[_b+1]-40)+e[_b+2]-40;wc=$wnd.Math.pow(10,vc/1500-1);_b+=2;xc=86*(e[_b+1]-40)+e[_b+2]-40;yc=$wnd.Math.pow(10,xc/1500-1);if(R){_b+=2;zc=86*(e[_b+1]-40)+e[_b+2]-40;Ac=$wnd.Math.pow(10,zc/1500-1)}}else{R=e.length==3*j-3}}if(b.xb()&&R){e=null;W=false}for(Sb=1;Sb<j;Sb++){X=B0.po(b,V);if(X==0){if(W){B0.rl(b.f,Sb,B0.Mj(b.f,0)+8*(e[Sb*2-2]-83));B0.sl(b.f,Sb,B0.Nj(b.f,0)+8*(e[Sb*2-1]-83));R&&B0.tl(b.f,Sb,B0.Oj(b.f,0)+8*(e[2*j-3+Sb]-83))}++P;continue}A+=X-1;if(W){B0.rl(b.f,Sb,B0.Mj(b.f,A)+e[Sb*2-2]-83);B0.sl(b.f,Sb,B0.Nj(b.f,A)+e[Sb*2-1]-83);R&&B0.tl(b.f,Sb,B0.Oj(b.f,A)+(e[2*j-3+Sb]-83))}B0.Vi(b.f,A,Sb,1)}for(Wb=0;Wb<P;Wb++)B0.Vi(b.f,B0.po(b,i),B0.po(b,i),1);ac=yL(w0.gQ,N1,5,k,16,1);for(I=0;I<k;I++){J=B0.po(b,2);switch(J){case 0:ac[I]=true;break;case 2:B0.El(b.f,I,2);break;case 3:B0.El(b.f,I,4);}}h=B0.po(b,i);for(Xb=0;Xb<h;Xb++){n=B0.po(b,i);if(uc==8){nc=B0.po(b,2);if(nc==3){B0.gl(b.f,n,1,0);B0.ml(b.f,n,1,false)}else{B0.ml(b.f,n,nc,false)}}else{nc=B0.po(b,3);switch(nc){case 4:B0.ml(b.f,n,1,false);B0.gl(b.f,n,1,B0.po(b,3));break;case 5:B0.ml(b.f,n,2,false);B0.gl(b.f,n,1,B0.po(b,3));break;case 6:B0.ml(b.f,n,1,false);B0.gl(b.f,n,2,B0.po(b,3));break;case 7:B0.ml(b.f,n,2,false);B0.gl(b.f,n,2,B0.po(b,3));break;default:B0.ml(b.f,n,nc,false);}}}uc==8&&B0.po(b,1)==0&&(b.f.J=true);g=B0.po(b,B);for(Yb=0;Yb<g;Yb++){D=B0.po(b,B);if(B0.dk(b.f,D)==1){nc=B0.po(b,3);switch(nc){case 4:B0.Bl(b.f,D,1,false);B0.yl(b.f,D,1,B0.po(b,3));break;case 5:B0.Bl(b.f,D,2,false);B0.yl(b.f,D,1,B0.po(b,3));break;case 6:B0.Bl(b.f,D,1,false);B0.yl(b.f,D,2,B0.po(b,3));break;case 7:B0.Bl(b.f,D,2,false);B0.yl(b.f,D,2,B0.po(b,3));break;default:B0.Bl(b.f,D,nc,false);}}else{B0.Bl(b.f,D,B0.po(b,2),false)}}B0.Gl(b.f,B0.po(b,1)==1);m=null;kc=0;while(B0.po(b,1)==1){U=kc+B0.po(b,4);switch(U){case 0:jc=B0.po(b,i);for(Zb=0;Zb<jc;Zb++){n=B0.po(b,i);B0.nl(b.f,n,w2,true)}break;case 1:jc=B0.po(b,i);for($b=0;$b<jc;$b++){n=B0.po(b,i);gc=B0.po(b,8);B0.ll(b.f,n,gc)}break;case 2:jc=B0.po(b,B);for(mb=0;mb<jc;mb++){B0.po(b,B)}break;case 3:jc=B0.po(b,i);for(nb=0;nb<jc;nb++){n=B0.po(b,i);B0.nl(b.f,n,V1,true)}break;case 4:jc=B0.po(b,i);for(ob=0;ob<jc;ob++){n=B0.po(b,i);rc=LQ(zQ(B0.po(b,4)),3);B0.nl(b.f,n,rc,true)}break;case 5:jc=B0.po(b,i);for(pb=0;pb<jc;pb++){n=B0.po(b,i);l=LQ(zQ(B0.po(b,2)),1);B0.nl(b.f,n,l,true)}break;case 6:jc=B0.po(b,i);for(qb=0;qb<jc;qb++){n=B0.po(b,i);B0.nl(b.f,n,1,true)}break;case 7:jc=B0.po(b,i);for(rb=0;rb<jc;rb++){n=B0.po(b,i);hb=LQ(zQ(B0.po(b,4)),7);B0.nl(b.f,n,hb,true)}break;case 8:jc=B0.po(b,i);for(sb=0;sb<jc;sb++){n=B0.po(b,i);t=B0.po(b,4);r=yL(w0.TM,t1,5,t,15,1);for(bc=0;bc<t;bc++){s=B0.po(b,8);r[bc]=s}B0.hl(b.f,n,r)}break;case 9:jc=B0.po(b,B);for(tb=0;tb<jc;tb++){D=B0.po(b,B);rc=B0.po(b,2)<<7;B0.Dl(b.f,D,rc,true)}break;case 10:jc=B0.po(b,B);for(ub=0;ub<jc;ub++){D=B0.po(b,B);L=B0.po(b,5);B0.Dl(b.f,D,L,true)}break;case 11:jc=B0.po(b,i);for(vb=0;vb<jc;vb++){n=B0.po(b,i);B0.nl(b.f,n,v2,true)}break;case 12:jc=B0.po(b,B);for(xb=0;xb<jc;xb++){D=B0.po(b,B);M=B0.po(b,8)<<9;B0.Dl(b.f,D,M,true)}break;case 13:jc=B0.po(b,i);for(yb=0;yb<jc;yb++){n=B0.po(b,i);oc=LQ(zQ(B0.po(b,3)),14);B0.nl(b.f,n,oc,true)}break;case 14:jc=B0.po(b,i);for(zb=0;zb<jc;zb++){n=B0.po(b,i);hc=LQ(zQ(B0.po(b,5)),17);B0.nl(b.f,n,hc,true)}break;case 15:case 31:kc+=16;break;case 16:jc=B0.po(b,i);for(Ab=0;Ab<jc;Ab++){n=B0.po(b,i);qc=LQ(zQ(B0.po(b,3)),22);B0.nl(b.f,n,qc,true)}break;case 17:jc=B0.po(b,i);for(Bb=0;Bb<jc;Bb++){n=B0.po(b,i);B0._k(b.f,n,B0.po(b,4))}break;case 18:jc=B0.po(b,i);fc=B0.po(b,4);for(Cb=0;Cb<jc;Cb++){n=B0.po(b,i);T=B0.po(b,fc);cc=yL(w0.PM,O2,5,T,15,1);for(bc=0;bc<T;bc++)cc[bc]=B0.po(b,7)<<24>>24;B0.el(b.f,n,x0.eU(A0.W_(cc,0,(dc=cc.length,A0.T_(),dc))))}break;case 19:jc=B0.po(b,i);for(Db=0;Db<jc;Db++){n=B0.po(b,i);N=LQ(zQ(B0.po(b,3)),25);B0.nl(b.f,n,N,true)}break;case 20:jc=B0.po(b,B);for(Eb=0;Eb<jc;Eb++){D=B0.po(b,B);qc=B0.po(b,3)<<17;B0.Dl(b.f,D,qc,true)}break;case 21:jc=B0.po(b,i);for(Fb=0;Fb<jc;Fb++){n=B0.po(b,i);B0.ol(b.f,n,B0.po(b,2)<<4)}break;case 22:jc=B0.po(b,i);for(Gb=0;Gb<jc;Gb++){n=B0.po(b,i);B0.nl(b.f,n,u2,true)}break;case 23:jc=B0.po(b,B);for(Ib=0;Ib<jc;Ib++){D=B0.po(b,B);B0.Dl(b.f,D,R2,true)}break;case 24:jc=B0.po(b,B);for(Jb=0;Jb<jc;Jb++){D=B0.po(b,B);l=B0.po(b,2)<<21;B0.Dl(b.f,D,l,true)}break;case 25:for(Kb=0;Kb<j;Kb++)B0.po(b,1)==1&&B0.pl(b.f,Kb,true);break;case 26:jc=B0.po(b,B);m=yL(w0.TM,t1,5,jc,15,1);for(Lb=0;Lb<jc;Lb++)m[Lb]=B0.po(b,B);break;case 27:jc=B0.po(b,i);for(Mb=0;Mb<jc;Mb++){n=B0.po(b,i);B0.nl(b.f,n,O1,true)}break;case 28:jc=B0.po(b,B);for(Nb=0;Nb<jc;Nb++)B0.El(b.f,B0.po(b,B),32);break;case 29:jc=B0.po(b,i);for(Ob=0;Ob<jc;Ob++){n=B0.po(b,i);gb=LQ(zQ(B0.po(b,2)),30);B0.nl(b.f,n,gb,true)}break;case 30:jc=B0.po(b,i);for(Pb=0;Pb<jc;Pb++){n=B0.po(b,i);qc=LQ(zQ(B0.po(b,7)),32);B0.nl(b.f,n,qc,true)}break;case 32:jc=B0.po(b,i);for(Qb=0;Qb<jc;Qb++){n=B0.po(b,i);sc=LQ(zQ(B0.po(b,2)),44);B0.nl(b.f,n,sc,true)}break;case 33:jc=B0.po(b,i);for(Rb=0;Rb<jc;Rb++){n=B0.po(b,i);bb=LQ(zQ(B0.po(b,5)),39);B0.nl(b.f,n,bb,true)}break;case 34:jc=B0.po(b,i);for(Tb=0;Tb<jc;Tb++){n=B0.po(b,i);B0.nl(b.f,n,Y1,true)}break;case 35:jc=B0.po(b,B);for(Ub=0;Ub<jc;Ub++){D=B0.po(b,B);B0.Dl(b.f,D,U2,true)}break;case 36:jc=B0.po(b,B);for(Vb=0;Vb<jc;Vb++){D=B0.po(b,B);K=B0.po(b,2)<<5;B0.Dl(b.f,D,K,true)}break;case 37:jc=B0.po(b,B);for(jb=0;jb<jc;jb++){D=B0.po(b,B);K=B0.po(b,1)==0?8:16;B0.El(b.f,D,K)}}}B0.be(new B0.le(b.f),ac,false);if(m!=null)for(F=m,G=0,H=F.length;G<H;++G){D=F[G];B0.El(b.f,D,B0.dk(b.f,D)==2?4:2)}if(e==null&&!b.g&&d.length>b.d+1&&(d[b.d+1]==32||d[b.d+1]==9)){e=d;f=b.d+2}if(e!=null){try{if(e[f]==33||e[f]==35){B0.qo(b,e,f+1);R=B0.po(b,1)==1;S=B0.po(b,1)==1;pc=2*B0.po(b,4);C=1<<pc;eb=0;D=0;for(p=1;p<j;p++){if(D<k&&B0.Uj(b.f,1,D)==p){eb=B0.Uj(b.f,0,D++);db=1}else{eb=0;db=8}B0.rl(b.f,p,B0.Mj(b.f,eb)+db*(B0.po(b,pc)-(C/2|0)));B0.sl(b.f,p,B0.Nj(b.f,eb)+db*(B0.po(b,pc)-(C/2|0)));R&&B0.tl(b.f,p,B0.Oj(b.f,eb)+db*(B0.po(b,pc)-(C/2|0)))}if(e[f]==35){ib=0;fb=yL(w0.TM,t1,5,j,15,1);for(q=0;q<j;q++)ib+=fb[q]=B0.bn(b.f,q);for(n=0;n<j;n++){for(jb=0;jb<fb[n];jb++){hb=B0.Ti(b.f,1);B0.Vi(b.f,n,hb,1);B0.rl(b.f,hb,B0.Mj(b.f,n)+(B0.po(b,pc)-(C/2|0)));B0.sl(b.f,hb,B0.Nj(b.f,n)+(B0.po(b,pc)-(C/2|0)));R&&B0.tl(b.f,hb,B0.Oj(b.f,n)+(B0.po(b,pc)-(C/2|0)))}}j+=ib;k+=ib}v=R?1.5:(B0.Ri(),B0.Ri(),B0.Qi);u=B0.Rj(b.f,j,k,v);if(S){tc=B0.oo(B0.po(b,pc),C);wc=tc*B0.ro(B0.po(b,pc),C);yc=tc*B0.ro(B0.po(b,pc),C);R&&(Ac=tc*B0.ro(B0.po(b,pc),C));db=tc/u;for(n=0;n<j;n++){B0.rl(b.f,n,wc+db*B0.Mj(b.f,n));B0.sl(b.f,n,yc+db*B0.Nj(b.f,n));R&&B0.tl(b.f,n,Ac+db*B0.Oj(b.f,n))}}else{tc=1.5;db=tc/u;for(n=0;n<j;n++){B0.rl(b.f,n,db*B0.Mj(b.f,n));B0.sl(b.f,n,db*B0.Nj(b.f,n));R&&B0.tl(b.f,n,db*B0.Oj(b.f,n))}}}else{R&&!S&&tc==0&&(tc=1.5);if(tc!=0&&b.f.p!=0){u=0;for(D=0;D<b.f.p;D++){Y=B0.Mj(b.f,B0.Uj(b.f,0,D))-B0.Mj(b.f,B0.Uj(b.f,1,D));Z=B0.Nj(b.f,B0.Uj(b.f,0,D))-B0.Nj(b.f,B0.Uj(b.f,1,D));$=R?B0.Oj(b.f,B0.Uj(b.f,0,D))-B0.Oj(b.f,B0.Uj(b.f,1,D)):0;u+=$wnd.Math.sqrt(Y*Y+Z*Z+$*$)}u/=b.f.p;cb=tc/u;for(n=0;n<b.f.o;n++){B0.rl(b.f,n,B0.Mj(b.f,n)*cb+wc);B0.sl(b.f,n,B0.Nj(b.f,n)*cb+yc);R&&B0.tl(b.f,n,B0.Oj(b.f,n)*cb+Ac)}}}}catch(a){a=kQ(a);if(FM(a,13)){ab=a;x0.ZI(ab,(x0.yU(),x0.xU),'');'Faulty id-coordinates:'+x0.bJ(ab,ab.Ib())+' '+x0.eU(A0.W_(d,0,(ec=d.length,A0.T_(),ec)))+' '+x0.eU(A0.W_(e,0,(dc=e.length,dc)));String.fromCharCode(10);e=null;R=false}else throw lQ(a)}}Q=e!=null&&!R;if(Q||b.xb()){B0.Ds(b.f,7);for(D=0;D<b.f.e;D++)B0.ak(b.f,D)==2&&!B0.Sn(b.f,D)&&B0.bk(b.f,D)==0&&B0.Cl(b.f,D)}if(!Q&&b.xb()){B0.ao(b.f,0);try{b.yb(b.f);Q=true}catch(a){a=kQ(a);if(FM(a,13)){ab=a;x0.ZI(ab,(x0.yU(),x0.xU),'');'2D-coordinate creation failed:'+x0.bJ(ab,ab.Ib())+' '+x0.eU(A0.W_(d,0,(dc=d.length,A0.T_(),dc)));String.fromCharCode(10)}else throw lQ(a)}}if(Q){B0.eo(b.f);B0.Qs(b.f)}else R||B0.ao(b.f,0)};B0.wo=function wo(a,b){var c,d,e,f,g,h;if(b.length<=0||b[0]<64)return;B0.qo(a,b,0);h=B0.po(a,4);e=B0.po(a,1)==1;f=B0.po(a,1)==1;for(c=0;c<a.f.d;c++){g=B0.po(a,h);d=e;e&&f&&(d=B0.po(a,1)==1);B0.jl(a.f,c,g,d)}};B0.xo=function xo(){};bR(157,1,{},B0.xo);_.xb=function yo(){return false};_.yb=function zo(a){throw lQ(new x0.pJ('Unexpected request to invent coordinates. 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e,f,g,h,i,j,k,l,m,n,o,p,q,r;e=b.a;n=b.g;j=IQ(nQ(B0.Kj(a.k,e),1),0);f=B0.Fj(a.k,e);l=f!=null?B0.Ko(a,e,f,d):j?'*':B0.Ej(a.k,e);!j&&f==null&&B0.Dn(a.k,e)&&(a.j&4)==0&&(B0.Gm(a.k,e)!=0||B0.wj(a.k,e)==-1&&B0.Lj(a.k,e)==0)&&(l=A0.r0(l).toLowerCase());b.f&&(c.a+='(',c);n!=-1&&B0.Ho(a,B0.Nm(a.k,b.a,b.g),b.g,c);g=B0.yj(a.k,e);if(g==0&&(a.j&1)!=0){h=nQ(B0.Kj(a.k,e),_1);sQ(h,c2)==0?(g=-1):sQ(h,b2)==0&&(g=1)}k=B0.Ij(a.k,e);m=(a.j&2)!=0?B0.Hj(a.k,e):0;o=(a.j&1)!=0?B0.Qo(a,e,d):null;r=!j&&!B0.Xo(B0.Pj(a.k,e))||f!=null||(B0.Jj(a.k,e)==1||B0.Jj(a.k,e)==2)&&(q=B0.Dj(a.k,e)-1,!(q!=-1&&a.i[q][B0.Cj(a.k,e)]<=1))&&(B0.Pj(a.k,e)!=7||B0.yj(a.k,e)>0)||B0.Dn(a.k,e)&&B0.Gm(a.k,e)==0&&(a.j&4)==0||g!=0||k!=0||m!=0||B0.wj(a.k,e)!=-1||B0.Lj(a.k,e)!=0||o!=null;r&&(c.a+='[',c);k!=0&&(c.a+=k,c);c.a+=''+l;(B0.Jj(a.k,e)==1||B0.Jj(a.k,e)==2)&&(p=B0.Dj(a.k,e)-1,!(p!=-1&&a.i[p][B0.Cj(a.k,e)]<=1))&&(B0.Pj(a.k,e)!=7||B0.yj(a.k,e)>0)&&x0.qU(c,B0.Po(a,e,n));if((a.j&1)==0&&r){i=B0.nn(a.k,e);i==1?(c.a+='H',c):i>1&&(c.a+='H'+i,c)}if(g!=0){c.a+=String.fromCharCode(g>0?43:45);$wnd.Math.abs(g)>1&&x0.nU(c,$wnd.Math.abs(g))}o!=null&&(c.a+=''+o,c);if(m!=0){c.a+=':';c.a+=m}r&&(c.a+=']',c);B0.Io(a,b,c);b.e&&(c.a+=')',c)};B0.Eo=function 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82
+ B0.dp=function dp(a,b){B0.cp();var c,d;d=b-a;for(c=0;c<B0.bp[a].length;c++)if(B0.bp[a][c].b==d)return B0.bp[a][c].a;return NaN};B0.ep=function ep(a,b){var c;if(a.b.length!=b.b.length)return a.b.length<b.b.length?-1:1;for(c=0;c<a.b.length;c++)if(a.b[c]!=b.b[c])return a.b[c]<b.b[c]?-1:1;return 0};B0.fp=function fp(a){var b,c,d,e,f,g;c=0;for(e=a.a,f=0,g=e.length;f<g;++f){d=e[f];d&&++c}a.b=yL(w0.TM,t1,5,c,15,1);c=0;for(b=0;b<a.a.length;b++)a.a[b]&&(a.b[c++]=b)};B0.gp=function gp(a,b){var c;B0.fp(a);for(c=0;c<a.b.length;c++)if(b[a.b[c]])return true;return false};B0.hp=function hp(a){this.a=yL(w0.gQ,N1,5,a,16,1)};bR(123,1,{123:1,27:1},B0.hp);_.qb=function ip(a){return B0.ep(this,a)};w0.tN=uS(123);B0.mp=function 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lr(){this.c=8;this.N=new C0.d_(new K0.KI)};B0.mr=function mr(a,b){var c;c=yL(w0.TM,t1,5,b,15,1);x0.zU(a,0,c,0,$wnd.Math.min(a.length,b));return c};B0.nr=function nr(a,b){var c;c=yL(w0.gQ,N1,5,b,16,1);x0.zU(a,0,c,0,$wnd.Math.min(a.length,b));return c};bR(92,1,{},B0.lr);_.c=0;_.d=0;_.o=0;_.p=0;_.q=false;_.v=0;_.w=0;_.K=false;_.M=0;_.O=false;w0.CN=uS(92);B0.or=function or(){};bR(109,1,{109:1},B0.or);_.a=0;_.b=0;_.c=0;_.d=0;w0.AN=uS(109);
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B0.Iq(a.i,3);v=yL(w0.gQ,N1,5,K.i.a.length,16,1);for(G=0;G<K.i.a.length;G++){I=C0.Yh(K.i,G);v[G]=true;for(q=0;q<I.length;q++){if(!B0.Dk(a.i,I[q])){v[G]=false;break}}if(v[G]){for(r=0;r<I.length;r++)w[I[r]]=true;J=C0.Yh(K.j,G);for(s=0;s<J.length;s++){if(!a.f[J[s]]){a.f[J[s]]=true;++a.c}}}}for(l=0;l<a.i.e;l++){!a.f[l]&&(K.b[l]&m1)!=0&&B0.Dk(a.i,B0.Uj(a.i,0,l))&&B0.Dk(a.i,B0.Uj(a.i,1,l))&&B0._r(a,l)}for(m=0;m<a.i.e;m++){if(!a.f[m]){e=B0.Uj(a.i,0,m);f=B0.Uj(a.i,1,m);if(!w[e]&&!w[f]&&B0.Dk(a.i,e)&&B0.Dk(a.i,f)){a.f[m]=true;++a.c}}}B0.Ds(a.i,7);u=yL(w0.gQ,N1,5,a.i.e,16,1);for(t=0;t<a.i.e;t++)u[t]=a.f[t];for(H=0;H<K.i.a.length;H++){if(v[H]){I=C0.Yh(K.i,H);for(p=0;p<I.length;p++){if(!B0.ks(a,I[p])){if(B0.Dk(a.i,I[p])){B0.kl(a.i,I[p],false);--a.b}for(B=0;B<B0.Qm(a.i,I[p]);B++){o=B0.Rm(a.i,I[p],B);if(a.f[o]){a.f[o]=false;--a.c}}}}}}B0.js(a);for(F=0;F<K.i.a.length;F++){if(v[F]&&C0.Yh(K.j,F).length==6){J=C0.Yh(K.j,F);A=true;for(h=J,i=0,j=h.length;i<j;++i){g=h[i];if(!a.f[g]){A=false;break}}if(A){B0.is(a,J[0]);B0.is(a,J[2]);B0.is(a,J[4]);B0.js(a)}}}for(D=5;D>=4;D--){do{C=false;for(g=0;g<a.i.e;g++){if(a.f[g]){c=0;for(p=0;p<2;p++){n=B0.Uj(a.i,p,g);for(B=0;B<B0.Qm(a.i,n);B++)a.f[B0.Rm(a.i,n,B)]&&++c}if(c==D){B0.is(a,g);B0.js(a);C=true;break}}}}while(C)}while(a.b>=2)if(!B0.cs(a,u))break;if(b){if(a.b!=0){for(d=0;d<a.i.d;d++){if(B0.Dk(a.i,d)){B0.kl(a.i,d,false);B0.nl(a.i,d,2,true);--a.b}}}if(a.c!=0){for(g=0;g<a.i.e;g++){if(a.f[g]){a.f[g]=false;B0.El(a.i,g,64);--a.c}}}}else{for(d=0;d<a.i.d;d++){if(B0.Dk(a.i,d)&&B0.bn(a.i,d)!=0){B0.kl(a.i,d,false);B0.ol(a.i,d,32);--a.b}}}if(a.b!=0)throw lQ(new x0.pJ(G3));if(a.c!=0)throw lQ(new x0.pJ(G3))};
85
+ B0.fs=function fs(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db,eb,fb,gb,hb,ib,jb,kb,lb,mb,nb,ob,pb,qb,rb,sb,tb,ub,vb,wb,xb,yb,zb;a.i=b;B0.gj(a.i);!!a.n&&x0.KR(a.n,0);a.b=0;i=a.k!=0;eb=null;p=yL(w0.TM,t1,5,32,15,1);p[0]=-1;kb=yL(w0.TM,t1,5,16,15,1);nb=yL(w0.TM,t1,5,16,15,1);mb=yL(w0.TM,t1,5,16,15,1);lb=yL(w0.TM,t1,5,16,15,1);for(L=0;L<16;L++)kb[L]=-1;m=0;G=-1;qb=false;O=false;pb=false;t=0;s=1;r=0;l=new K0.RI;fb=new B0.ws(c);while(c[d]<=32)++d;while(d<e){sb=c[d++]&m1;if(gS(sb)||sb==42||sb==63||sb==33&&i&&qb||sb==35&&i&&qb){o=-1;v=0;V=0;h=-1;D=-1;db=false;N=false;n=0;if(qb){if(sb==42){o=6;n=RQ(KQ(w0.vQ(n),1))}else if(sb==63){o=0}else if(sb==35){Y=0;while(d<e&&fS(c[d]&m1)){Y=10*Y+c[d]-48;++d}if(Y<1||Y>=(B0.Ri(),B0.Li).length)throw lQ(new x0.pJ('SmilesParser: Atomic number out of range.'));o=Y}else{P=sb==33;if(P){pb=true;n=RQ(KQ(w0.vQ(n),1));++d}if(c[d-1]==82&&i&&(fS(c[d]&m1)||a.a&&c[d]==123)){o=6;n=RQ(KQ(w0.vQ(n),1));--d;P&&--d}else{Q=jS(c[d]&m1)==(c[d]&m1)&&gS(c[d]&m1)?2:1;o=(B0.Ri(),B0.gm(x0.eU(A0.W_(c,d-1,(S=Q,A0.T_(),S))),321));if(o==-1){o=6;n=RQ(KQ(w0.vQ(n),1));--d}else{d+=Q-1;D=9;if(i&&(c[d]==44||P)){tb=false;U=false;rb=d-Q;for(ab=rb;ab<c.length;ab++){if(!gS(c[ab]&m1)){X=B0.gm(x0.eU(A0.W_(c,rb,(R=ab-rb,R))),321);if(X!=0){K0.OI(l,x0.vT(X));kS(c[rb]&m1)==(c[rb]&m1)&&gS(c[rb]&m1)?(tb=true):(U=true)}rb=ab+1;if(c[ab]!=44)break;if(c[ab+1]==33){if(!P)throw lQ(new x0.pJ("SmilesParser: inconsistent '!' in atom list."));++ab;++rb}}}if(l.a.a.length>1){D=-1;tb?U||(n=RQ(KQ(w0.vQ(n),4))):(n=RQ(KQ(w0.vQ(n),2)))}d=rb-1}}}}while(qb){if(c[d]==64){++d;if(c[d]==64){N=true;++d}db=true;continue}if(c[d]==58){++d;while(fS(c[d]&m1)){V=10*V+c[d]-48;++d}continue}if(c[d]==91)throw lQ(new x0.pJ('SmilesParser: nested square brackets found'));if(c[d]==93){++d;qb=false;continue}if(c[d]==43){v=1;++d;while(c[d]==43){++v;++d}if(v==1&&fS(c[d]&m1)){v=c[d]-48;++d}v==0&&(n=RQ(KQ(w0.vQ(n),a2)));continue}if(c[d]==45){v=-1;++d;while(c[d]==45){--v;++d}if(v==-1&&fS(c[d]&m1)){v=48-c[d];++d}v==0&&(n=RQ(KQ(w0.vQ(n),a2)));continue}P=c[d]==33;P&&++d;if(c[d]==72){++d;d+=B0.ts(fb,c,d,1);D=fb.c;F=0;fb.c<=0&&fb.b>=0&&(F=RQ(KQ(w0.vQ(F),128)));fb.c<=1&&fb.b>=1&&(F=RQ(KQ(w0.vQ(F),256)));fb.c<=2&&fb.b>=2&&(F=RQ(KQ(w0.vQ(F),512)));fb.c<=3&&fb.b>=3&&(F=RQ(KQ(w0.vQ(F),$1)));if(P){n|=F;D=-1}else{if(fb.b==fb.c){D=fb.c}else{n=RQ(KQ(w0.vQ(n),nQ(Z1,w0.vQ(~F))));D=-1}}continue}if(c[d]==68){++d;d+=B0.ts(fb,c,d,1);F=0;fb.c<=0&&fb.b>=0&&(F=KQ(F,P2));fb.c<=1&&fb.b>=1&&(F=KQ(F,F2));fb.c<=2&&fb.b>=2&&(F=KQ(F,E2));fb.c<=3&&fb.b>=3&&(F=KQ(F,R2));fb.c<=4&&fb.b>=4&&(F=KQ(F,f2));if(sQ(F,0)!=0){P||(F=TQ(F,e2));n=RQ(KQ(w0.vQ(n),F))}continue}if(c[d]==122&&a.a){++d;d+=B0.ts(fb,c,d,4);F=0;fb.c<=0&&fb.b>=0&&(F=KQ(F,p2));fb.c<=1&&fb.b>=1&&(F=KQ(F,H3));fb.c<=2&&fb.b>=2&&(F=KQ(F,I3));fb.c<=3&&fb.b>=3&&(F=KQ(F,J3));fb.c<=4&&fb.b>=4&&(F=KQ(F,o2));if(sQ(F,0)!=0){P||(F=TQ(F,j2));n=RQ(KQ(w0.vQ(n),F))}continue}if(c[d]==88){++d;d+=B0.ts(fb,c,d,1);zb=(B0.Ri(),B0.Mi)[o];if(zb==null)continue;vb=zb[0];F=0;vb-fb.c<=0&&vb-fb.b>=0&&(F=KQ(F,U1));vb-fb.c<=1&&vb-fb.b>=1&&(F=KQ(F,d3));vb-fb.c<=2&&vb-fb.b>=2&&(F=KQ(F,l1));if(sQ(F,0)!=0){P||(F=TQ(F,d2));n=RQ(KQ(w0.vQ(n),F))}continue}if(c[d]==65||c[d]==97){++d;n=RQ(KQ(w0.vQ(n),P^c[d]==65?4:2));continue}if(c[d]==82){++d;d+=B0.ts(fb,c,d,3);F=0;fb.c<=0&&fb.b>=0&&(F=KQ(F,8));fb.c<=1&&fb.b>=1&&(F=KQ(F,16));fb.c<=2&&fb.b>=2&&(F=KQ(F,32));fb.c<=3&&fb.b>=3&&(F=KQ(F,64));fb.b>3&&B0.ls(a,(P?'!R':'R')+fb.b);if(sQ(F,0)!=0){P||(F=TQ(F,120));n=RQ(KQ(w0.vQ(n),F))}continue}if(c[d]==114){++d;d+=B0.ts(fb,c,d,1);if(fb.a){P?(n=RQ(KQ(w0.vQ(n),384))):(n=RQ(KQ(w0.vQ(n),8)));continue}ob=fb.c;fb.b>fb.c&&B0.ls(a,(P?'!r':'r')+('{'+fb.c+'-'+fb.b+'}'));!P&&ob>=3&&ob<=7?(n|=ob<<22):fb.b>fb.c||B0.ls(a,(P?'!r':'r')+ob);continue}if(c[d]==118){++d;d+=B0.ts(fb,c,d,1);vb=fb.c;fb.b>fb.c&&B0.ls(a,(P?'!v':'v')+('{'+fb.c+'-'+fb.b+'}'));!P&&vb<=14?(h=vb):fb.b>fb.c||B0.ls(a,(P?'!v':'v')+vb);continue}if(i&&(c[d]==59||c[d]==38)){pb=true;++d;continue}throw lQ(new x0.pJ("SmilesParser: unexpected character inside brackets: '"+String.fromCharCode(c[d]&m1)+"'"))}}else if(sb==42){o=6;n=RQ(KQ(w0.vQ(n),1))}else if(sb==63){o=0}else if((sb==65||sb==97)&&i){o=6;n=RQ(KQ(w0.vQ(n),1));n=RQ(KQ(w0.vQ(n),sb==65?4:2));pb=true}else{switch(kS(sb)){case 66:if(d<e&&c[d]==114){o=35;++d}else o=5;break;case 67:if(d<e&&c[d]==108){o=17;++d}else o=6;break;case 70:o=9;break;case 73:o=53;break;case 78:o=7;break;case 79:o=8;break;case 80:o=15;break;case 83:o=16;}}if(o==-1&&sb!=63)throw lQ(new x0.pJ('SmilesParser: unknown element label found'));k=B0.Ti(a.i,o);B0.bl(a.i,k,v);B0.jl(a.i,k,V,false);B0._k(a.i,k,h);if(n!=0){pb=true;if(IQ(nQ(w0.vQ(n),2),0)){n=RQ(nQ(w0.vQ(n),-3));B0.kl(a.i,k,true);++a.b}else{B0.kl(a.i,k,false)}B0.nl(a.i,k,w0.vQ(n),true)}if(l.a.a.length!=0){pb=true;T=yL(w0.TM,t1,5,l.a.a.length,15,1);for(K=0;K<l.a.a.length;K++)T[K]=(K<0?null:C0.Yh(l.a,K)).a;B0.hl(a.i,k,T);A0.r0(l.a.a).length=0}else{if(jS(sb)==sb&&gS(sb)){if(o!=5&&o!=6&&o!=7&&o!=8&&o!=15&&o!=16&&o!=33&&o!=34)throw lQ(new x0.pJ('SmilesParser: atomicNo '+o+' must not be aromatic'));B0.kl(a.i,k,true);++a.b}else{B0.kl(a.i,k,false)}}if(D!=-1&&o!=1){u=yL(w0.PM,O2,5,1,15,1);u[0]=(D==9?0:D)<<24>>24;B0.fl(a.i,k,u)}G=p[t];if(p[t]!=-1&&s!=512){q=B0.Vi(a.i,p[t],k,s);if(r!=0){pb=true;B0.Dl(a.i,q,r,true)}}s=1;r=0;p[t]=k;if(m!=0){B0.ll(a.i,k,m);m=0}if(g){bb=!eb?null:C0.qY(eb,x0.vT(G));!!bb&&B0.ps(bb,k,d);if(db){!eb&&(eb=new C0.n$);J=D==9?0:D;C0.f$(eb,x0.vT(k),new B0.ss(k,d-2,G,J,N))}}continue}if(sb==46){p[t]=-1;s=512;continue}if(sb==45||sb==61||sb==35||sb==36||sb==58||sb==47||sb==92||sb==60||sb==126||sb==33||sb==64){if(qb)throw lQ(new x0.pJ("SmilesParser: unexpected bond symbol inside square brackets: '"+String.fromCharCode(sb)+"'"));B=0;while(sb==45||sb==61||sb==35||sb==36||sb==58||sb==47||sb==92||sb==60||sb==126||sb==33||sb==64){if(sb==33){sb=c[d++]&m1;sb==64&&(r|=128);if(sb==45&&c[d]==62||sb==60&&c[d]==45){B|=32;++d}else if(sb==45)B|=1;else if(sb==61)B|=2;else if(sb==35)B|=4;else if(sb==36)B|=32;else if(sb==58)B|=8;else throw lQ(new x0.pJ("SmilesParser: bond symbol '"+String.fromCharCode(sb)+"' not allowed after '!'."))}else{if(sb==64)r|=256;else if(sb==61)s=2;else if(sb==35)s=4;else if(sb==36)s=8;else if(sb==58)s=64;else if(sb==126)r|=31;else if(sb==47){g&&(s=257)}else if(sb==92){g&&(s=129)}else if(sb==45&&c[d]==62||sb==60&&c[d]==45){s=32;++d}if(c[d]==44){r|=(s==32?62:sb)==61?2:(s==32?62:sb)==35?4:(s==32?62:sb)==36?32:(s==32?62:sb)==58?8:(s==32?62:sb)==62?16:(s==32?62:sb)==126?31:1;while(c[d]==44){if(c[d+1]==60&&c[d+2]==45||c[d+1]==45&&c[d+2]==62){r|=16;d+=3}else{r|=B0.bs(c[d+1]&m1);d+=2}}}}if(c[d]==59){++d;sb=c[d++]&m1;continue}B!=0&&(r|=31&~B);break}continue}if(sb<=32){d=e;continue}if(fS(sb)){Y=sb-48;if(qb){while(d<e&&fS(c[d]&m1)){Y=10*Y+c[d]-48;++d}m=Y}else{I=c[d-2]==45||c[d-2]==47||c[d-2]==92||c[d-2]==61||c[d-2]==35||c[d-2]==36||c[d-2]==58||c[d-2]==62||c[d-2]==126;if(O&&d<e&&fS(c[d]&m1)){Y=10*Y+c[d]-48;O=false;++d}if(Y>=kb.length){if(Y>=100)throw lQ(new x0.pJ('SmilesParser: ringClosureAtom number out of range'));Z=kb.length;W=kb.length;while(W<=Y)W=$wnd.Math.min(100,W+16);kb=(A0.f0(W),C0.$Y(kb,yL(w0.TM,t1,5,W,15,1),W));nb=(A0.f0(W),C0.$Y(nb,yL(w0.TM,t1,5,W,15,1),W));mb=(A0.f0(W),C0.$Y(mb,yL(w0.TM,t1,5,W,15,1),W));lb=(A0.f0(W),C0.$Y(lb,yL(w0.TM,t1,5,W,15,1),W));for(K=Z;K<W;K++)kb[K]=-1}if(kb[Y]==-1){kb[Y]=p[t];nb[Y]=d-1;mb[Y]=I?s:-1;lb[Y]=I?r:0}else{if(kb[Y]==p[t])throw lQ(new x0.pJ('SmilesParser: ring closure to same atom'));if(g&&!!eb){bb=C0.qY(eb,x0.vT(kb[Y]));!!bb&&B0.ps(bb,p[t],nb[Y]);bb=C0.qY(eb,x0.vT(p[t]));!!bb&&B0.ps(bb,kb[Y],d-1)}mb[Y]!=-1?(s=mb[Y]):s==257?(s=129):s==129&&(s=257);q=B0.Vi(a.i,kb[Y],p[t],s);lb[Y]!=0&&(r=lb[Y]);if(r!=0){pb=true;B0.Dl(a.i,q,lb[Y],true)}kb[Y]=-1}s=1;r=0}continue}if(sb==43){throw lQ(new x0.pJ("SmilesParser: '+' found outside brackets"))}if(sb==40){if(p[t]==-1)throw lQ(new x0.pJ('Smiles with leading parenthesis are not supported'));++t;p.length==t&&(p=C0.ZY(p,p.length+32));p[t]=p[t-1];continue}if(sb==41){--t;continue}if(sb==91){qb=true;continue}if(sb==93){throw lQ(new x0.pJ('SmilesParser: closing bracket at unexpected position'))}if(sb==37){O=true;continue}throw lQ(new x0.pJ("SmilesParser: unexpected character outside brackets: '"+String.fromCharCode(sb)+"'"))}if(s!=1)throw lQ(new x0.pJ('SmilesParser: dangling open bond'));for(hb=kb,ib=0,jb=hb.length;ib<jb;++ib){gb=hb[ib];if(gb!=-1)throw lQ(new x0.pJ('SmilesParser: dangling ring closure'))}H=B0._m(a.i);B0.Il(a.i,true);B0.Ds(a.i,1);for(j=0;j<a.i.o;j++){if(B0.Aj(a.i,j)!=null){C=B0.Bj(a.i,j)[0];if(a.g){for(K=0;K<C;K++)B0.Vi(a.i,j,B0.Ti(a.i,1),1)}else 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t=J0.Qz;_.cBondQFRing=J0.Rz;_.cBondQFRingSize=J0.Sz;_.cBondQFRingSizeBits=J0.Tz;_.cBondQFRingSizeShift=J0.Uz;_.cBondQFRingState=J0.Vz;_.cBondQFRingStateBits=J0.Wz;_.cBondQFRingStateShift=J0.Xz;_.cBondQFSimpleFeatures=J0.Yz;_.cBondQFSingle=J0.Zz;_.cBondQFTriple=J0.$z;_.cBondTypeCross=J0._z;_.cBondTypeDeleted=J0.aA;_.cBondTypeDelocalized=J0.bA;_.cBondTypeDouble=J0.cA;_.cBondTypeDown=J0.dA;_.cBondTypeIncreaseOrder=J0.eA;_.cBondTypeMaskSimple=J0.fA;_.cBondTypeMaskStereo=J0.gA;_.cBondTypeMetalLigand=J0.hA;_.cBondTypeQuadruple=J0.iA;_.cBondTypeQuintuple=J0.jA;_.cBondTypeSingle=J0.kA;_.cBondTypeTriple=J0.lA;_.cBondTypeUp=J0.mA;_.cChiralityDiastereomers=J0.nA;_.cChiralityEpimers=J0.oA;_.cChiralityIsomerCountMask=J0.pA;_.cChiralityKnownEnantiomer=J0.qA;_.cChiralityMeso=J0.rA;_.cChiralityNotChiral=J0.sA;_.cChiralityRacemic=J0.tA;_.cChiralityUnknown=J0.uA;_.cChiralityUnknownEnantiomer=J0.vA;_.cCommonOxidationState=J0.wA;_.cDefaultAVBL=J0.xA;_.cDefaultAllowedPseudoAtoms=J0.yA;_.cDefaultAtomValence=J0.zA;_.cESRGroupBits=J0.AA;_.cESRMaxGroups=J0.BA;_.cESRTypeAbs=J0.CA;_.cESRTypeAnd=J0.DA;_.cESRTypeOr=J0.EA;_.cHelperBitCIP=J0.FA;_.cHelperBitIncludeNitrogenParities=J0.GA;_.cHelperBitNeighbours=J0.HA;_.cHelperBitParities=J0.IA;_.cHelperBitRings=J0.JA;_.cHelperBitRingsSimple=J0.KA;_.cHelperBitSymmetrySimple=J0.LA;_.cHelperBitSymmetryStereoHeterotopicity=J0.MA;_.cHelperBitsStereo=J0.NA;_.cHelperCIP=J0.OA;_.cHelperNeighbours=J0.PA;_.cHelperNone=J0.QA;_.cHelperParities=J0.RA;_.cHelperRings=J0.SA;_.cHelperRingsSimple=J0.TA;_.cHelperSymmetrySimple=J0.UA;_.cHelperSymmetryStereoHeterotopicity=J0.VA;_.cMaxAtomicNo=J0.WA;_.cMaxConnAtoms=J0.XA;_.cMoleculeColorDefault=J0.YA;_.cMoleculeColorNeutral=J0.ZA;_.cPseudoAtomA=J0.$A;_.cPseudoAtomAttachmentPoint=J0._A;_.cPseudoAtomPolymer=J0.aB;_.cPseudoAtomR=J0.bB;_.cPseudoAtomX=J0.cB;_.cPseudoAtomsAGroups=J0.dB;_.cPseudoAtomsAll=J0.eB;_.cPseudoAtomsAminoAcids=J0.fB;_.cPseudoAtomsHydrogenIsotops=J0.gB;_.cPseudoAtomsRGroups=J0.hB;_.cRoundedMass=J0.iB;_.fromIDCode=J0.iC;_.fromMolfile=J0.lC;_.fromMolfileWithAtomMap=J0.mC;_.fromSmiles=J0.nC;_.getAngle=J0.wC;_.getAngleDif=J0.xC;_.getAtomicNoFromLabel=J0.WC;_.getDefaultAverageBondLength=J0.yD;_.isAtomicNoElectronegative=J0.DE;_.isAtomicNoElectropositive=J0.EE;_.setDefaultAverageBondLength=J0._F;_=hR('OCL.Reaction');_.create=J0.NG;_.fromMolecules=J0.OG;_.fromRxn=J0.PG;_.fromSmiles=J0.QG;_=hR('OCL.RingCollection');_.MAX_SMALL_RING_SIZE=J0.oH;_.MODE_SMALL_AND_LARGE_RINGS=J0.pH;_.MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY=J0.qH;_.MODE_SMALL_RINGS_AND_AROMATICITY=J0.rH;_.MODE_SMALL_RINGS_ONLY=J0.sH;_=hR('OCL.SDFileParser',J0.MH);_=hR('OCL.SSSearcher',J0.YH);_=hR('OCL.SSSearcherWithIndex',J0.eI);_.bitCount=J0.fI;_.getHexStringFromIndex=J0.hI;_.getIndexFromHexString=J0.iI;_.getKeyIDCode=J0.jI;_.getSimilarityAngleCosine=J0.lI;_.getSimilarityTanimoto=J0.mI;_=hR('OCL.Util',J0.qI);_.getHoseCodesFromDiastereotopicID=J0.rI;_=hR('java.io.Serializable');_.$isInstance=BR;x0.UR();_=hR('java.lang.Boolean');_.$isInstance=$R;_=hR('java.lang.CharSequence');_.$isInstance=bS;_=hR('java.lang.Cloneable');_.$isInstance=IS;_=hR('java.lang.Comparable');_.$isInstance=JS;_=hR('java.lang.Double');_.$isInstance=US;_=hR('java.lang.Number');_.$isInstance=x0.LS;_=hR('java.lang.String');_.$isInstance=VT;_=hR('java.lang.Throwable');_.of=lJ;_=hR('javaemul.internal.HashCodes',A0.__);_.getIdentityHashCode=A0.a0;_.getNextHash=A0.b0;_.getObjectIdentityHashCode=A0.c0;_=hR('javaemul.internal.JsUtils');_.toDoubleFromUnsignedInt=A0.q0;var v0=(z0.$J(),bK);var gwtOnLoad=gwtOnLoad=YQ;WQ(kR);ZQ('permProps',[[['locale','default'],['user.agent','safari']]]);$sendStats('moduleStartup', 'moduleEvalEnd');gwtOnLoad(__gwtModuleFunction.__errFn, __gwtModuleFunction.__moduleName, __gwtModuleFunction.__moduleBase, __gwtModuleFunction.__softPermutationId,__gwtModuleFunction.__computePropValue);$sendStats('moduleStartup', 'end');$gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps);
134
134
 
135
135
 
136
136
  // End GWT code
137
137
 
138
138
  var toReturn = $wnd["OCL"];
139
139
 
140
- toReturn.version = '8.0.1';
140
+ toReturn.version = '8.2.0';
141
141
 
142
142
  return toReturn;
143
143
  }