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e,f,g;if(c==0){a.u[b]&=mob;a.u[b]|=c<<18}else{if(d>=32)return;if(d==-1){g=-1;for(f=0;f>18&&g<((a.u[f]&Fnb)>>18!=1&&(a.u[f]&Fnb)>>18!=2?-1:(a.u[f]&eob)>>20)&&(g=(a.u[f]&Fnb)>>18!=1&&(a.u[f]&Fnb)>>18!=2?-1:(a.u[f]&eob)>>20);for(e=0;e>8&&g<((a.F[e]&768)>>8!=1&&(a.F[e]&768)>>8!=2?-1:(a.F[e]&fob)>>10)&&(g=(a.F[e]&768)>>8!=1&&(a.F[e]&768)>>8!=2?-1:(a.F[e]&fob)>>10);d=g+1;if(d>=32)return}a.u[b]&=mob;a.u[b]|=c<<18|d<<20}a.T&=7};qlb.Ol=function Ol(a,b,c){a.v==null&&(a.v=sW(klb.MX,Rnb,7,a.M,0,2));olb.xgb(c,olb.bhb(i2(rlb.Icb.prototype.kc,rlb.Icb,[])));a.v[b]=c;a.T=0;a.K=true};qlb.Pl=function Pl(a,b,c,d){var e;if(c==null){a.v!=null&&(a.v[b]=null);return}if(c.length==1&&!d){e=c[0];a.C[b]!=e&&qlb.Kj(a,b,e,0,-1,0);a.v!=null&&(a.v[b]=null);return}a.v==null&&(a.v=sW(klb.MX,Rnb,7,a.M,0,2));a.v[b]=c;d&&(a.B[b]=O1(a.B[b],1));a.T=0;a.K=true};qlb.Ql=function Ql(a,b,c,d){a.w[b]=d?-c:c};qlb.Rl=function Rl(a,b,c){c?(a.u[b]|=Unb):(a.u[b]&=-131073)};qlb.Sl=function Sl(a,b,c){a.A[b]=c;a.T&=7};qlb.Tl=function 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c,d;a.C=qlb.Fm(a.C,b);a.s=qlb.Fm(a.s,b);a.w=qlb.Fm(a.w,b);d=a.J.length;a.J=qlb.Hm(a.J,b);for(c=d;c=1;case 2:return d>=2;case 4:return d>=3;case 8:return d>=4;case 16:return d>=5;case 32:return true;default:return false;}};qlb.Am=function Am(a,b,c,d){var e,f,g;for(e=0;e=0&&a=171&&a<=190?qlb.pj:qlb.tj};qlb.Lm=function Lm(a,b,c,d){qlb.wj();var e,f,g;f=c-a;g=d-b;if(g!=0){e=$wnd.Math.atan(f/g);g<0&&(f<0?(e-=Tmb):(e+=Tmb))}else e=f>0?Umb:Anb;return e};qlb.Mm=function Mm(a,b){qlb.wj();var c;c=a-b;while(cTmb)c-=Smb;return c};qlb.Nm=function Nm(a,b){qlb.wj();var c,d,e,f,g;if((b&256)!=0&&llb.p5(a,'?'))return 0;for(d=1;d<=128;d++)if(!llb.p5(a,cob)&&llb.q5(a,qlb.qj[d]))return d;if((b&2)!=0)for(e=129;e<=144;e++)if(llb.q5(a,qlb.qj[e]))return e;if((b&4)!=0)for(f=146;f<=148;f++)if(llb.q5(a,qlb.qj[f]))return f;if((b&1)!=0)for(g=151;g<=152;g++)if(llb.q5(a,qlb.qj[g]))return g;if((b&32)!=0)if(llb.q5(a,qlb.qj[153]))return 153;if((b&8)!=0)if(llb.q5(a,qlb.qj[154]))return 154;if((b&16)!=0)if(llb.q5(a,qlb.qj[145]))return 145;if((b&128)!=0)if(llb.q5(a,qlb.qj[159]))return 159;if((b&64)!=0)for(c=171;c<=190;c++)if(llb.q5(a,qlb.qj[c]))return c;return 0};qlb.Om=function Om(a){qlb.wj();switch(a){case 7:case 8:case 9:case 15:case 16:case 17:case 33:case 34:case 35:case 52:case 53:return true;}return false};qlb.Pm=function Pm(a){qlb.wj();if(a==1||a==6)return false;if(qlb.Om(a))return false;if(a==2||a==10||a==18||a==36||a==54)return false;if(a>103)return false;return true};qlb.Qm=function Qm(a){return a>=3&&a<=4||a>=11&&a<=13||a>=19&&a<=31||a>=37&&a<=51||a>=55&&a<=84||a>=87&&a<=103};qlb.Rm=function Rm(a){return a==1||a>=5&&a<=9||a>=14&&a<=17||a>=32&&a<=35||a>=52&&a<=53};qlb.Sm=function Sm(a){return a>=21&&a<=30||a>=39&&a<=48||a==57||a>=72&&a<=80||a==89||a>=104&&a<=112};f2(74,1,{74:1,4:1});_.ub=function Em(a){qlb.Tj(this,a)};_.vb=function Tm(a){return this.H[a]==64};_.q=0;_.r=0;_.I=0;_.K=false;_.L=false;_.M=0;_.N=0;_.O=0;_.S=false;_.T=0;_.U=0;_.V=0;qlb.vj=24;klb.pY=J3(74);qlb.Um=function Um(a,b,c,d){var e,f,g,h,i,j,k,l,m;qlb.Tt(b,1);d==null&&(d=sW(klb.MX,umb,6,b.q,15,1));h=qlb.Cl(a,1);i=qlb.Cl(a,2);m=sW(klb.k1,Omb,6,b.q,16,1);j=sW(klb.MX,umb,6,b.q,15,1);j[0]=c;m[c]=true;d[c]=qlb.Pj(b,a,c,h,i);g=0;k=0;while(g<=k){for(l=0;l1?(a.o[c]+=m-1):a.H[h]==64&&(a.o[c]=1))}}for(i=a.g;i0&&a.s[a.D[1][i]]<0){f=a.D[0][i];g=a.D[1][i]}else if(a.s[a.D[0][i]]<0&&a.s[a.D[1][i]]>0){f=a.D[1][i];g=a.D[0][i]}else 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false;for(c=0;c0){if(B1(r1(a.B[b],znb),0)){k=B1(r1(a.B[b],$mb),896)?3:B1(r1(a.B[b],$mb),384)?2:B1(r1(a.B[b],128),128)?1:0;i=(n=qlb.Qk(a,b),n+qlb.Ok(a,b,n)-qlb.Pn(a,b));a.s[b]==0&&B1(r1(a.B[b],anb),0)&&a.C[b]!=6&&++i;l=h;l>3-k&&(l=3-k);l>i+h-k&&(l=i+h-k);if(l>0){m=k==0?0:P1(r1(a.B[b],$mb),l);m=O1(m,klb.z1((l==3?7:h==2?3:1)<<7));a.B[b]=r1(a.B[b],-1921);a.B[b]=O1(a.B[b],r1($mb,m))}}for(j=a.j[b];j=15){for(e=0;e1&&(a.C[a.i[h][l]]==6?(a.u[e]|=Wmb):!qlb.mo(a,a.k[h][l])&&qlb.gl(a,a.i[h][l])&&(a.u[e]|=ynb))}}}while(true){j=false;for(c=0;c0&&(a.u[c]&ynb)!=0&&!qlb.pr(a.p,c)){for(k=0;k1){h=a.i[c][k];i=a.k[c][k];for(l=0;l=5)for(c=0;c3&&(a.u[c]|=pob)}for(j=0;j4)return false;i=sW(klb.k1,Omb,6,4,16,1);for(h=0;h0.0872664675116539)return false;e[h]=3&HX(f/Umb);if(i[e[h]])return false;i[e[h]]=true;if((e[h]&1)==0){if(a.H[a.k[b][c[h]]]!=1)return false}else{if(!qlb.ql(a,a.k[b][c[h]],b))return false}}return i[0]&&i[2]};qlb.Cn=function Cn(a,b,c,d,e){var f,g,h,i,j,k,l,m;if((!!a.p&&b24)return 3;f=a.e[b];e==null&&(e=sW(klb.MX,umb,6,f,15,1));if(!qlb.Bn(a,b,c,d,e))return 3;i=-1;for(j=0;j=0&&b[e]);for(c=0;c=e)return f[d];return e};qlb.Kn=function Kn(a,b){var c,d,e,f,g,h;if(a.K&&B1(r1(a.B[b],znb),0))return 0;if(!qlb.Po(a,b))return 0;qlb.Tt(a,1);g=0;for(e=0;e>1}g-=qlb.Ok(a,b,g);f=((a.u[b]&dob)>>>27)-1;if(f==-1){h=qlb.Km(a.C[b]);f=h[0];for(d=1;f>>27)-1;if(f==-1){g=qlb.Km(a.C[b]);d=0;while(e>g[d]+c&&d=171&&a.C[b]<=190){c=a.e[b];c>2&&(e-=(c-2)*qlb.uj[1])}}return e};qlb.On=function On(a,b){var c,d;c=a.j[b];for(d=0;d1&&(g=true);c=a.k[b][e];a.H[c]==64&&(d=true)}}d&&!g&&++h;return h};qlb.Qn=function Qn(a,b,c){var d,e,f;e=0;for(f=0;f2&&++e}return e};qlb.Rn=function Rn(a,b,c,d,e,f,g){var h,i,j,k,l,m,n,o,p;if(c==d){b[0]=c;return 0}qlb.Tt(a,1);k=sW(klb.MX,umb,6,a.q,15,1);j=sW(klb.MX,umb,6,a.q,15,1);p=sW(klb.MX,umb,6,a.q,15,1);j[0]=c;k[c]=1;i=0;l=0;while(i<=l&&k[j[i]]<=e){o=j[i];for(m=0;m0){b[n-1]=p[b[n]];--n}return 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a.o[b]==2&&a.j[b]==2&&a.n[b][0]==2&&a.n[b][1]==2&&a.C[b]<=7};qlb.po=function po(a,b){var c;c=a.C[b];return c==8||c==16||c==34||c==52};qlb.qo=function qo(a,b){return b=5){n=0;for(k=0;k=3&&++n}l=qlb.On(a,b);if(n==2&&l>=2||n==1&&l==3)continue}return true}for(j=0;jsob){g=0;h=0;for(v=0;vo&&(l=o)}t[s]=l-k>>27)-1;(e==-1||eg&&(i=g)}r=sW(klb.MX,umb,6,2,15,1);s=0;for(k=0;kr[1]){A=r[0];r[0]=r[1];r[1]=A}j=qlb.Mm(c,qlb.yk(a,q,r[0]));p=qlb.Mm(c,qlb.yk(a,q,r[1]));e=j-p}else{e=qlb.Mm(c,qlb.yk(a,q,r[0]))}e<0^(a.u[b]&3)==1^i==u?(a.H[v]=257):(a.H[v]=129)};qlb.Jo=function Jo(a,b,c,d){var e,f,g,h,i,j;e=a.e[b];h=sW(klb.MX,umb,6,e,15,1);j=qlb.Cn(a,b,c,d,h);if(j==3)return false;g=(a.u[b]&3)==j?257:129;for(i=0;i4){qlb.Tl(a,b,0,false);return}c=a.e[b];o=false;for(g=0;gd[2]&&d[1]-d[2]>Tmb;break;case 1:k=d[2]-d[0]>Tmb;break;case 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t;o=0;p=(i=qlb.xq(b,o+1),i==-1?olb.bhb(b).length:i);f=llb.a4((olb.Xgb(o,p,olb.bhb(b).length),olb.bhb(b).substr(o,p-o)),Cob,cmb);o=qlb.wq(b,p);p=(j=qlb.xq(b,o+1),j==-1?olb.bhb(b).length:j);g=llb.a4((olb.Xgb(o,p,olb.bhb(b).length),olb.bhb(b).substr(o,p-o)),Cob,cmb);o=qlb.wq(b,p);p=(k=qlb.xq(b,o+1),k==-1?olb.bhb(b).length:k);c=qlb.tq(a,llb.a4((olb.Xgb(o,p,olb.bhb(b).length),olb.bhb(b).substr(o,p-o)),Cob,cmb));o=qlb.wq(b,p);p=(l=qlb.xq(b,o+1),l==-1?olb.bhb(b).length:l);d=qlb.tq(a,llb.a4((olb.Xgb(o,p,olb.bhb(b).length),olb.bhb(b).substr(o,p-o)),Cob,cmb));r=0;s=0;while((o=qlb.wq(b,p))!=-1){p=(h=qlb.xq(b,o+1),h==-1?olb.bhb(b).length:h);q=(olb.Xgb(o,p,olb.bhb(b).length),olb.bhb(b).substr(o,p-o));n=llb.t5(q,G5(61));m=(olb.Xgb(0,n,olb.bhb(q).length),olb.bhb(q).substr(0,n));t=llb.a4((olb.Ygb(n+1,olb.bhb(q).length+1),olb.bhb(q).substr(n+1)),Cob,cmb);if(llb.p5(m,'CFG')){switch(t){case 1:r=1;break;case 2:r=g==2?3:4;break;case 3:r=6;}}else llb.p5(m,'TOPO')?(s=t):undefined}e=qlb.pq(a,c,d,g,r,s);e+1!=f&&(!a.c&&(a.c=new rlb.Geb),rlb.yeb(a.c,new llb.u4(f),new llb.u4(e)))};qlb.Cq=function Cq(a,b){var c,d,e,f,g,h;h=qlb.yq(b);if(h!=null){g=qlb.Eq(b,h);if(llb.p5(olb.bhb(b).substr(0,13),'MDLV30/STEABS')){if(llb.p5(h,Bob))for(f=0;fg)&&(e=g);h[d]=llb.a4((olb.Xgb(f,e,olb.bhb(a).length),olb.bhb(a).substr(f,e-f)),Cob,cmb)}return h};qlb.Fq=function Fq(a){var b,c,d,e,f,g,h,i,j;i=sW(klb.MX,umb,6,a.j.q,15,1);for(d=0;dqlb.Pk(a.j,b)){qlb.jm(a.j,c,32);continue}}}}}};qlb.Gq=function Gq(a){var b,c;if(olb.bhb(a).indexOf('[')>=0){b=olb.bhb(a).indexOf(' NOT[');c=olb.bhb(a).indexOf(']',b);if(b>=0&&c>0){return -(c+1)}else{b=olb.bhb(a).indexOf(' [');c=olb.bhb(a).indexOf(']',b);if(b>=0&&c>0){return c+1}}b=olb.bhb(a).indexOf(" 'NOT[");c=olb.bhb(a).indexOf("]'",b);if(b>=0&&c>0){return -(c+2)}else{b=olb.bhb(a).indexOf(" '[");c=olb.bhb(a).indexOf("]'",b);if(b>=0&&c>0){return c+2}}llb.a6();String.fromCharCode(10)}return 0};qlb.Hq=function 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qlb.Kq=function Kq(a,b){var c,d,e,f,g;!!a.b&&rlb.reb(a.b);!!a.c&&rlb.reb(a.c);e=0;d=Olb.C2(b);while(d!=null&&llb.p5(olb.bhb(d).substr(0,7),Fob)){d=llb.E5((olb.Ygb(7,olb.bhb(d).length+1),olb.bhb(d).substr(7)));while(g=olb.bhb('-').length,llb.p5(olb.bhb(d).substr(olb.bhb(d).length-g,g),'-')){c=Olb.C2(b);if(!llb.p5(olb.bhb(c).substr(0,7),Fob)){return false}d=llb.E5(llb.m5(llb.C5(d,0,olb.bhb(d).length-1),(olb.Ygb(7,olb.bhb(c).length+1),olb.bhb(c).substr(7))))}if(llb.p5(olb.bhb(d).substr(0,5),'BEGIN')){f=llb.E5((olb.Ygb(6,olb.bhb(d).length+1),olb.bhb(d).substr(6)));if(llb.p5(olb.bhb(f).substr(0,4),'CTAB')){e=1}else if(llb.p5(olb.bhb(f).substr(0,4),'ATOM')){e=2}else if(llb.p5(olb.bhb(f).substr(0,4),'BOND')){e=3}else if(llb.p5(olb.bhb(f).substr(0,10),'COLLECTION')){e=4}else{return false}}else if(llb.p5(olb.bhb(d).substr(0,3),'END')){e=0}else if(e==1){qlb.Dq(a,d)}else if(e==2){qlb.zq(a,d)}else if(e==3){qlb.Bq(a,d)}else if(e==4){qlb.Cq(a,d)}else{return false}d=Olb.C2(b)}while(d!=null&&!(llb.p5(olb.bhb(d).substr(0,6),Dob)||llb.p5(d,Eob))){d=Olb.C2(b)}return true};qlb.Lq=function Lq(){this.i=0};qlb.Mq=function Mq(){this.i=1};f2(101,1,{},qlb.Lq,qlb.Mq);_.a=false;_.d=false;_.e=false;_.g=false;_.i=0;_.k=false;klb.rY=J3(101);qlb.Nq=function Nq(a){};qlb.Oq=function Oq(a,b,c){var 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;llb.U5(a.a,'M V30 BEGIN CTAB\n');llb.U5(a.a,Gob+b.q+' '+b.r+' 0 0 0'+Ylb);llb.U5(a.a,'M V30 BEGIN ATOM\n');for(i=0;i0&&llb.U5(a.a,',');t=(qlb.wj(),qlb.qj)[k[s]];switch(olb.bhb(t).length){case 2:case 3:case 1:llb.U5(a.a,t);break;default:llb.U5(a.a,'?');}}llb.U5(a.a,']')}else M1(r1(b.B[i],1),0)?llb.U5(a.a,' A'):b.C[i]>=129&&b.C[i]<=144||b.C[i]==154?llb.U5(a.a,' R#'):llb.U5(a.a,' '+(qlb.wj(),qlb.qj)[b.C[i]]);if(c){llb.U5(a.a,' '+HX(mmb*a.b*b.J[i].a)/mmb);llb.U5(a.a,' '+HX(mmb*a.b*-b.J[i].b)/mmb);llb.U5(a.a,' '+HX(mmb*a.b*-b.J[i].c)/mmb)}else{llb.U5(a.a,' 0 0 0')}llb.U5(a.a,' 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