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NG;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.w;++c)a.M[c]d&&(d=a.M[c]),a.O[c]e&&(e=a.O[c]);b.a=f+(d-f)/2;b.b=g+(e-g)/2;b.c=d-f;b.d=e-g;25>b.c&&(b.c=25);25>b.d&&(b.d=25);return b}function ZG(a,b,c){var d,e;e=0;for(d=1;d=b&&d<=c||0!=gE(a,d,b,c)&&++e;return e}function dE(a){++a.w;a.J[a.w]=S(7);a.b[a.w]=3;a.D[a.w]=0;a.d[a.w]=0;a.c[a.w]=null;a.A[a.w]=0;a.q[a.w]=0}\nfunction fD(a,b,c,d,e,f){var g;g=a.M[b]-c/2;f||(g-=d-c);a=a.O[b]-~~(e/2);return new eH(g-1-2,a-2,d+1+4,e+4)}function nE(a){++a.x;a.i[a.x]=1;a.E[a.x]=0;a.j[a.x]=null}\nfunction OD(a,b){var c,d,e,f,g,l,h;if(0==a.w)return j;h=b;79l&&(l=a.O[g]),a.M[g]a.D[g]?d=4-a.D[g]:0>a.D[g]&&-4=e&&(f=e));f=ND(f,2)+ND(d,3)+" 0 0 0 0 0 0 0";e=-1;for(d=1;d<=a.B;++d)if(a.u[d][0]==g){e=a.u[d][1];break}-1==e&&a.r.Xb&&0Lt))for(;Mf<\nVe[Lg]*Ve[Lg];){Wh=0;for(Wn=!0;Wn&&Wh<=Lg&&Mf>=Ve[Wh]*Ve[Wh];)0==Mf%Ve[Wh]?Wn=!1:++Wh;if(Wn){yk[++Mt]=ot(Mf);if(Mt>=Lt)break;LgFd&&(Fd=0),0>Gd&&(Gd=0),Tn=28*Fd+Gd);Lf=0;0!=a.D[z]&&(-2>a.D[z]?Lf=1:-2==a.D[z]?Lf=2:-1==a.D[z]?Lf=3:1==a.D[z]?Lf=4:2==a.D[z]?Lf=5:2Kg&&(Kg=10-Kg));Nc=126;dd=Un;dd+=126*a.A[z];Nc*=7;dd+=Lf*Nc;Nc*=7;0!=Kg&&(dd+=Kg*Nc);Nc*=7;dd+=Tn*Nc;Nc*=783;dd+=a.C[z]*Nc;Mc[z]=ot(dd)}for(Ue=0;!bH(a,Qb,Mc);){Kt=!1;for(z=1;z<=a.w;++z)Qb[z]!=Ed[z]&&(Ed[z]=Qb[z],Kt=!0);if(Kt){for(z=1;z<=a.w;++z){Mc[z]=eh;for(Ca=1;Ca<=a.C[z];++Ca)Mc[z]=st(Mc[z],yk[Qb[a.J[z][Ca]]])}Ue=0}else if(0a.L[z]&&(ge=a.K[z],a.K[z]=a.L[z],a.L[z]=ge,1==a.E[z]?a.E[z]=3:2==a.E[z]?a.E[z]=4:3==a.E[z]?a.E[z]=1:4==a.E[z]&&(a.E[z]=2));for(z=1;za.a[c])&&g!=Eb[c]){ob=!0;for(K=1;K<=wa;++K)if(v[K]==c&&u[K]==g||v[K]==\ng&&u[K]==c){ob=!1;break}ob&&(++wa,v[wa]=c,u[wa]=g)}}else o[++T]=g;if(0==T){if(Lc==a.w)break;c=n[$--]}else if(1==T)Eb[o[1]]=c,c=o[1],a.a[c]=++Lc;else{n[++$]=c;e=0;for(w=1;w<=T;++w)if(h=UG(a,o[w],c),!E[h]){e=o[w];break}if(0==e)for(w=1;w<=T;++w)if(h=UG(a,o[w],c),2==a.k[h]||3==a.k[h]){e=o[w];break}0==e&&(e=o[1]);Eb[e]=c;c=e;a.a[e]=++Lc}}Eb=S(a.w+1);b=S(a.w+1);sa=[];ee=[];f=Lc=$=0;for(w=1;w<=a.w;++w)if(1==a.a[w]){c=w;break}a:for(;;){0a.C[Na]||4la.C[yc[gd]]||3Nf[Ye]&&(Xn=ie,ie=Ye,Ye=Xn);Bk=ie;0==ie&&(Bk=Ye,St=!0);for(fd=1;fd<=la.C[he];++fd)Oc=la.J[he][fd],\nXe=UG(la,he,Oc),1!=la.i[Xe]||5==la.k[Xe]||(0==Ze?Ze=Oc:Of=Oc);0Nf[Of]&&(Xn=Ze,Ze=Of,Of=Xn);Ek=Ze;0==Ze&&(Ek=Of,Tt=!0);Ck=jH(la,UG(la,Pf,ie),Pf);Dk=jH(la,UG(la,Pf,Ye),Pf);rK=jH(la,UG(la,he,Ze),he);sK=jH(la,UG(la,he,Of),he);1<(0>Ck+Dk?-(Ck+Dk):Ck+Dk)||0!=rK||0!=sK?lr(la.r,"Bad stereoinfo on allene !"):(Yn=la.M[yc[gd-1]]-la.M[he],Zn=la.O[yc[gd-1]]-la.O[he],Fk=Math.sqrt(Yn*Yn+Zn*Zn),0.001>Fk&&(Fk=0.001),0<(la.O[Ek]-la.O[yc[gd-1]])*(Yn/Fk)-(la.M[Ek]-la.M[yc[gd-1]])*(Zn/Fk)?ed[Pc]=1:ed[Pc]=\n-1,St&&(ed[Pc]*=-1),Tt&&(ed[Pc]*=-1),Bk==ie&&0>Ck&&(ed[Pc]*=-1),Bk==Ye&&0>Dk&&(ed[Pc]*=-1),Nf[Bk]>Nf[Ek]&&(ed[Pc]*=-1))}}else b:{var yb=a,hb=Na,Ut=oK,tK=Xh,uK=v,vK=u,gR=fR,$n=Jf,ao=void 0,hd=void 0,Vt=void 0,Yh=void 0,Ha=void 0,Zh=void 0,Hd=void 0,Gk=void 0,je=void 0,Yb=void 0,ja=void 0,fa=void 0,$e=void 0,bo=void 0,id=void 0,H=void 0,co=void 0,fa=S(4),bo=S(4),Hk=void 0,jd=void 0,eo=void 0,fo=void 0,Wt=void 0,Ik=void 0,Ik=-1;0Ha;++Ha)0>=fa[Ha]||(ao=UG(yb,hb,fa[Ha]),bo[Ha]=jH(yb,ao,hb),0bo[Ha]?(++Hd,Yh=fa[Ha],Zh=fa[Ha]):Gk=fa[Ha]);je=Yb+Hd;H=S(4);id=\n0;if(3==yb.C[hb]){if(1==Yb&&1==Hd||3==je&&0Ha;++Ha)ao=UG(yb,hb,ja[Ha]),hd[Ha]=jH(yb,ao,hb);if(4==je){if(0==Yb||0==Hd){lr(yb.r,\n"Error in C4 stereospecification !");break b}if(1==Yb||1==Hd)H[0]=ja[0],H[1]=ja[3],H[2]=ja[2],H[3]=ja[1],id=hd[0];else{for(Ha=0;4>Ha;++Ha)-1==hd[Ha]&&(hd[Ha]=0);je=2}}else if(3==je)if(3==Yb||3==Hd)H[0]=ja[0],H[1]=ja[3],H[2]=ja[2],H[3]=ja[1],0Ha;++Ha)hd[Ha]==Vt&&(hd[Ha]=0);je=2}if(2==je)if(1==Yb&&1==Hd)ja[1]==Yh?(ja[1]=ja[2],ja[2]=ja[3]):ja[2]==Yh&&(ja[2]=ja[3]),H[0]=co,H[1]=Yh,H[2]=ja[2],H[3]=ja[1],id=1;else{if(hd[0]==hd[1]||hd[1]==hd[2]){lr(yb.r,\n"Error in C4 stereospecification ! 2/0r");break b}0!=hd[0]?(H[0]=ja[0],H[1]=ja[2],H[2]=ja[1],H[3]=ja[3]):(H[0]=ja[1],H[1]=ja[3],H[2]=ja[2],H[3]=ja[0]);1=ib.b[jb]&&(zc=!0,X=(VB(),aC)[ib.b[jb]]);\nzc&&(0!=ib.q[jb]?X=lc+ib.q[jb]+X:X=lc+X,1==Xt[jb]?X+=ub:-1==Xt[jb]&&(X+="@@"),1==ib.A[jb]?X+=Kb:1b&&--a.K[f],a.L[f]=d,d>b&&--a.L[f],a.i[f]=a.i[e],a.E[f]=a.E[e],a.e[f]=a.e[e],a.f[f]=a.f[e],a.j[f]=a.j[e]);a.x=f;for(e=b;eb&&--c,a.J[e][++d]=c);a.C[e]=d}e=1;a:for(;e<=a.B;++e)if(a.u[e][0]==b){for(f=e;fb&&--a.u[e][0]}}\nfunction HD(a,b){var c,d,e,f;c=a.K[b];d=a.L[b];for(e=b;ea.b[d]&&0==a.q[c]){for(b=1;b<=a.B;++b)if(a.u[b][0]==c)continue a;b=UG(a,c,d);1==a.i[b]&&(0==a.E[b]||!a.r.Yb)&&FD(a,c)}}}function dH(a){var b;b=a.b.length;a.J=IG(b,7);a.C=S(b);for(b=1;b<=a.w;++b)a.C[b]=0;for(b=1;b<=a.x;++b)6>a.C[a.K[b]]&&(a.J[a.K[b]][++a.C[a.K[b]]]=a.L[b]),6>a.C[a.L[b]]&&(a.J[a.L[b]][++a.C[a.L[b]]]=a.K[b])}\nfunction hH(a,b,c){var d,e,f,g,l,h,n,o,v;a.k=S(a.x+1);v=[];for(h=1;h<=a.w;++h){v[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.C[h];++d)if(c[UG(a,h,a.J[h][d])]){d=!0;break a}d=!1}if(d&&!(3a.u.length-1&&a.u.push([0,0]);a.u[a.B][0]=a.G;d=a.r.F;!b&&a.r.x&&(a.r.pb||++a.v,d=a.v);a.u[a.B][1]=d;return!0}function CD(a){var b;a.B=0;a.v=0;vE(a);for(b=1;b<=a.w;++b)a.G=b,bE(a,!1);a.G=0}\nfunction DD(a){var b,c;b=sC(a);c=a.r.K.b;a.r.G||(c=I(c-a.r.eb));return b.a<~~(c/2)-24?1:b.a>~~(c/2)+24?3:2}function mC(a,b){var c,d,e,f,g,l,h;c=sC(a);d=c.a;e=c.b;g=Math.sin(3.141592653589793*b/180);c=Math.cos(3.141592653589793*b/180);for(f=1;f<=a.w;++f)l=a.M[f]*c+a.O[f]*g,h=-a.M[f]*g+a.O[f]*c,a.M[f]=l,a.O[f]=h;c=sC(a);for(f=1;f<=a.w;++f)a.M[f]+=d-c.a,a.O[f]+=e-c.b}\nfunction sE(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.x;++d)b=a.M[a.K[d]]-a.M[a.L[d]],c=a.O[a.K[d]]-a.O[a.L[d]],f+=Math.sqrt(b*b+c*c);0=e&&(d=e-48));18==a.b[b]&&(a.A[b]=d);d=0;if(0=e)))){for(;43==e;)++d,e=cG(c,g++);for(;45==e;)--d,e=cG(c,g++)}a.D[b]=d}}}function sD(a,b,c){var d,e;a.o=1;c&&(a.o=-1);b=new AB(b);try{for(;b.j=tB(b,b.a),b.jc||6a.C[c]&&2>a.C[d])a.E[b]=0,lr(a.r,"Stereomarking meaningless on this bond !");else switch(a.E[b]){case 0:a.C[d]<=a.C[c]?a.E[b]=1:a.E[b]=3;break;case 1:a.E[b]=2;break;case 2:2a.C[e]||2>a.C[f]||3c[f]&&(g=e,e=f,f=g);v=o=b=0;u=!1;for(n=1;n<=a.C[e];++n)g=a.J[e][n],g!=f&&(0==o?o=g:v=g);0c[v]&&(g=o,o=v,v=g);h=UG(a,e,o);0!=d[h]?b=o:1==a.i[h]&&5!=a.k[h]&&(b=o);0==b&&(h=UG(a,e,v),0!=d[h]?b=v:1==a.i[h]&&5!=a.k[h]&&(b=v));c[b]>c[e]&&(u=!0);l=v=o=0;for(n=1;n<=a.C[f];++n)g=a.J[f][n],g!=e&&(0==v?v=g:l=g);0n&&(n=0.001),g/=n,h/=n,v=(a.O[b]-a.O[e])*h-(a.M[b]-a.M[e])*g,w=(a.O[o]-a.O[e])*h-(a.M[o]-a.M[e])*g,2>(0>=v?0-v:v)||2>(0>=w?0-w:w))lr(a.r,"Not unique E/Z geometry !");else{l=UG(a,b,e);f=UG(a,o,f);o=1;if(0==d[l]){for(n=1;n<=a.C[b];++n)if(g=a.J[b][n],g!=e&&(h=UG(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[l]=o}0==\nd[f]&&(0v&&0>w?d[f]=-d[l]:d[f]=d[l],u&&(d[f]=-d[f]))}}}function cH(a,b){var c,d,e;e=0;for(d=1;d<=a.C[b];++d)if(c=UG(a,b,a.J[b][d]),1==a.i[c])e+=1;else if(SD(a,c))e+=2;else if(3==a.i[c])e+=3;else if(9==a.i[c])return-1;return e}function jH(a,b,c){var d;d=a.E[b];return 1>d||4e?c.A[d]=3-e-c.D[d]:4==e?(c.D[d]=-1,c.A[d]=0):5e?0c.D[d]?c.A[d]=2-e-c.D[d]:c.A[d]=4-e:(c.D[d]=e-4,c.A[d]=4-e+c.D[d]);break;case 4:case 7:3>e?c.A[d]=3-e+c.D[d]:3==e?0>c.D[d]?(c.D[d]=0,c.A[d]=0):0c.D[d]?(c.D[d]=0,c.A[d]=0):0e?c.A[d]=2-e+c.D[d]:2==e?0>c.D[d]?(c.D[d]=0,c.A[d]=0):0c.A[d]&&(c.A[d]=0)}}}function xC(a){PG();RG(this);this.r=a;this.B=this.x=this.w=0}\nfunction rD(a,b){PG();var c,d,e,f,g,l,h,n;xC.call(this,a);d=j;h=nD(b);if(null!=h){n=new zB(b,h,!0);for(g=1;4>=g;++g)d=oD(n,h);l=pD(qD(hv(d.substr(0,3)),10)).a;c=pD(qD(hv(d.substr(3,3)),10)).a;for(g=1;g<=l;++g){dE(this);d=oD(n,h);this.M[g]=(new XF(UF(hv(d.substr(0,10))))).a;this.O[g]=-(new XF(UF(hv(d.substr(10,10))))).a;f=34;34>d.length&&(f=d.length);f=hv(d.substr(31,f-31));LD(this,g,f);62<=d.length&&(e=hv(d.substr(60,3)),0=e))){var o=void 0,o=KG(f);f=0f&&(f=0);this.q[g]=f}if(39<=d.length&&(e=hv(d.substr(37,2)),0=e))){d=0;switch(e){case 1:d=3;break;case 2:d=2;break;case 3:d=1;break;case 4:d=0;break;case 5:d=-1;break;case 6:d=-2;break;case 7:d=-3}this.D[g]=d}}for(g=1;g<=c;++g)nE(this),d=oD(n,h),this.K[g]=pD(qD(hv(d.substr(0,3)),10)).a,this.L[g]=pD(qD(hv(d.substr(3,3)),10)).a,l=pD(qD(hv(d.substr(6,\n3)),10)).a,1==l?this.i[g]=1:2==l?this.i[g]=2:3==l?this.i[g]=3:this.i[g]=9,f=0,11b.length)this.w=0;else{try{f=new yB(b);d=pD(qD(wB(f),10)).a;e=pD(qD(wB(f),10)).a;for(c=1;c<=d;++c)g=wB(f),dE(this),LD(this,this.w,g),this.M[c]=(new XF(UF(wB(f)))).a,this.O[c]=-(new XF(UF(wB(f)))).a;for(c=1;c<=e;++c)if(nE(this),this.K[c]=pD(qD(wB(f),10)).a,this.L[c]=pD(qD(wB(f),10)).a,this.i[c]=pD(qD(wB(f),10)).a,-1==this.i[c])this.i[c]=1,this.E[c]=1;else if(-2==\nthis.i[c])this.i[c]=1,this.E[c]=2;else if(-5==this.i[c])this.i[c]=2,this.E[c]=10;else if(11==this.i[c]||12==this.i[c]||13==this.i[c]||14==this.i[c])this.E[c]=this.i[c],this.i[c]=9;dH(this);sE(this);uC(this)}catch(l){l=Km(l);if(D(l,81)){l.Vc();this.w=0;return}throw l;}fH(this);ED(this)}}\nfunction uD(a,b,c){PG();var d,e,f;xC.call(this,a);f=S(b.w+1);for(a=1;a<=b.w;++a)b.a[a]==c&&(dE(this),this.b[this.w]=b.b[a],this.M[this.w]=b.M[a],this.O[this.w]=b.O[a],this.D[this.w]=b.D[a],this.A[this.w]=b.A[a],this.q[this.w]=b.q[a],this.d[this.w]=b.d[a],this.c[this.w]=b.c[a],this.s[this.w]=b.s[a],f[a]=this.w);for(a=1;a<=b.x;++a)if(d=b.K[a],e=b.L[a],!(b.a[d]!=c&&b.a[e]!=c)&&!(b.a[d]!=c||b.a[e]!=c))nE(this),this.i[this.x]=b.i[a],this.E[this.x]=b.E[a],this.K[this.x]=f[d],this.L[this.x]=f[e],this.j[this.x]=\nb.j[a];for(a=1;a<=b.B;++a)d=b.u[a][0],d==c&&(++this.B,this.u[this.B][0]=f[d],this.u[this.B][1]=b.u[a][1]);this.o=b.o;ED(this);uC(this)}\nfunction PD(a,b,c){PG();var 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