lazar-gui 1.0.0

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Files changed (187) hide show
  1. checksums.yaml +7 -0
  2. data/.gitignore +3 -0
  3. data/FAQ.md +29 -0
  4. data/Gemfile +7 -0
  5. data/README.md +15 -0
  6. data/VERSION +1 -0
  7. data/application.rb +317 -0
  8. data/bin/lazar-start +5 -0
  9. data/bin/lazar-start.sh +8 -0
  10. data/bin/lazar-stop +6 -0
  11. data/bin/lazar-stop.sh +52 -0
  12. data/config.ru +5 -0
  13. data/helper.rb +218 -0
  14. data/lazar-gui.gemspec +29 -0
  15. data/public/css/bootstrap-theme.min.css +5 -0
  16. data/public/css/bootstrap.min.css +5 -0
  17. data/public/css/images/black-asc.gif +0 -0
  18. data/public/css/images/black-desc.gif +0 -0
  19. data/public/css/images/black-unsorted.gif +0 -0
  20. data/public/css/images/bootstrap-black-unsorted.png +0 -0
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  22. data/public/css/images/dragtable-handle.png +0 -0
  23. data/public/css/images/dragtable-handle.svg +7 -0
  24. data/public/css/images/dropbox-asc-hovered.png +0 -0
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  40. data/public/css/images/metro-loading.gif +0 -0
  41. data/public/css/images/metro-unsorted.png +0 -0
  42. data/public/css/images/metro-white-asc.png +0 -0
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  47. data/public/css/images/white-desc.gif +0 -0
  48. data/public/css/images/white-unsorted.gif +0 -0
  49. data/public/css/jquery-ui.css +1225 -0
  50. data/public/css/jquery-ui.theme.min.css +5 -0
  51. data/public/css/theme.bootstrap.css +158 -0
  52. data/public/css/theme.bootstrap.min.css +1 -0
  53. data/public/css/theme.default.min.css +1 -0
  54. data/public/fonts/glyphicons-halflings-regular.eot +0 -0
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  56. data/public/fonts/glyphicons-halflings-regular.ttf +0 -0
  57. data/public/fonts/glyphicons-halflings-regular.woff +0 -0
  58. data/public/fonts/glyphicons-halflings-regular.woff2 +0 -0
  59. data/public/images/Email.png +0 -0
  60. data/public/images/Facebook.png +0 -0
  61. data/public/images/Google+.png +0 -0
  62. data/public/images/IST_logo_s.png +0 -0
  63. data/public/images/LinkedIn.png +0 -0
  64. data/public/images/OpenToxEuro2013_small.png +0 -0
  65. data/public/images/Twitter.png +0 -0
  66. data/public/images/arrow_down_float.png +0 -0
  67. data/public/images/arrow_left_float.png +0 -0
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  69. data/public/images/arrow_up_float.png +0 -0
  70. data/public/images/asc.gif +0 -0
  71. data/public/images/bfr_logo.gif +0 -0
  72. data/public/images/bg.gif +0 -0
  73. data/public/images/blind.png +0 -0
  74. data/public/images/desc.gif +0 -0
  75. data/public/images/enm_logo.png +0 -0
  76. data/public/images/favicon.ico +0 -0
  77. data/public/images/gray_jean.png +0 -0
  78. data/public/images/info_white.png +0 -0
  79. data/public/images/ist_logo.png +0 -0
  80. data/public/images/nestec.jpg +0 -0
  81. data/public/images/ot_logo.png +0 -0
  82. data/public/images/wait30trans.gif +0 -0
  83. data/public/javascripts/bootstrap.min.js +7 -0
  84. data/public/javascripts/jquery-1.11.2.min.js +4 -0
  85. data/public/javascripts/jquery-1.8.3.min.js +2 -0
  86. data/public/javascripts/jquery-ui-1.10.3.custom.min.js +6 -0
  87. data/public/javascripts/jquery.bpopup.min.js +7 -0
  88. data/public/javascripts/jquery.tablesorter.min.js +2 -0
  89. data/public/javascripts/jquery.tablesorter.widgets.js +2678 -0
  90. data/public/javascripts/jquery.tools.min.js +5 -0
  91. data/public/javascripts/lazar-gui.js +11 -0
  92. data/public/jsme/057C029061D565E59B91BCF8D80FA08E.cache.html +651 -0
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  137. data/public/jsme/gwt/chrome/images/combobox/arrow-down-disabled.png +0 -0
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  139. data/public/jsme/gwt/chrome/images/combobox/ellipsis-disabled.png +0 -0
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  141. data/public/jsme/gwt/chrome/images/corner.png +0 -0
  142. data/public/jsme/gwt/chrome/images/corner_ie6.png +0 -0
  143. data/public/jsme/gwt/chrome/images/fastree/selectionBar.gif +0 -0
  144. data/public/jsme/gwt/chrome/images/fastree/treeClosed.gif +0 -0
  145. data/public/jsme/gwt/chrome/images/fastree/treeLoading.gif +0 -0
  146. data/public/jsme/gwt/chrome/images/fastree/treeOpen.gif +0 -0
  147. data/public/jsme/gwt/chrome/images/glasspanel/blue_ridge.png +0 -0
  148. data/public/jsme/gwt/chrome/images/hborder.png +0 -0
  149. data/public/jsme/gwt/chrome/images/hborder_ie6.png +0 -0
  150. data/public/jsme/gwt/chrome/images/ie6/corner_dialog_topleft.png +0 -0
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  152. data/public/jsme/gwt/chrome/images/ie6/hborder_blue_shadow.png +0 -0
  153. data/public/jsme/gwt/chrome/images/ie6/hborder_gray_shadow.png +0 -0
  154. data/public/jsme/gwt/chrome/images/ie6/vborder_blue_shadow.png +0 -0
  155. data/public/jsme/gwt/chrome/images/ie6/vborder_gray_shadow.png +0 -0
  156. data/public/jsme/gwt/chrome/images/scrolltable/bg_header_gradient.gif +0 -0
  157. data/public/jsme/gwt/chrome/images/splitPanelThumb.png +0 -0
  158. data/public/jsme/gwt/chrome/images/valuespinner/bg_textbox.png +0 -0
  159. data/public/jsme/gwt/chrome/images/vborder.png +0 -0
  160. data/public/jsme/gwt/chrome/images/vborder_ie6.png +0 -0
  161. data/public/jsme/gwt/chrome/mosaic.css +1252 -0
  162. data/public/jsme/gwt/chrome/mosaic_rtl.css +1252 -0
  163. data/public/jsme/hosted.html +365 -0
  164. data/public/jsme/jsa.css +175 -0
  165. data/public/jsme/jsme.nocache.js +18 -0
  166. data/public/rect.png +0 -0
  167. data/public/stylesheets/jquery-ui.css +1186 -0
  168. data/test/lazarweb.rb +193 -0
  169. data/test/setup.rb +7 -0
  170. data/unicorn.rb +7 -0
  171. data/views/batch.haml +58 -0
  172. data/views/details.haml +24 -0
  173. data/views/error.haml +8 -0
  174. data/views/faq.haml +2 -0
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  176. data/views/info.haml +2 -0
  177. data/views/jme_help.html +197 -0
  178. data/views/js_link.haml +5 -0
  179. data/views/layout.haml +113 -0
  180. data/views/model_details.haml +117 -0
  181. data/views/neighbors.haml +104 -0
  182. data/views/predict.haml +175 -0
  183. data/views/prediction.haml +84 -0
  184. data/views/significant_fragments.haml +66 -0
  185. data/views/style.scss +70 -0
  186. data/views/validation.haml +16 -0
  187. metadata +373 -0
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+ function xE(a,b){b.Rc(new yE);b.Qc(new zE);b.Sc(new AE);b.Tc(new BE(a))}u(483,484,{});_.c=null;_.d=1;_.e=-1;function CE(a){this.b=a;this.c=new DE(this.b);this.d=this.e=1}u(482,483,{},CE);_.b=null;function DE(a){this.b=a}u(485,1,{},DE);_.Ne=function(a){var b=this.b;b.wb&&(null!=a&&0<a.length?(!b.xb&&(b.xb=new os(b)),EE(b.xb,a)):(b.lb=!0,b.K="ERROR - empty or null structure",FE(b)))};_.b=null;function GE(a){this.b=a}u(486,1,{},GE);_.b=null;
271
+ function HE(a,b,c,d,e){this.f=a;this.c=b;this.e=c;this.d=d;this.b=e}u(487,1,{},HE);_.Oe=function(){jx(this.f.i,this.c,G(this.f.pb,Xf)-this.e-this.d,G(this.f.pb,Wf)-(this.b-this.d))};_.b=0;_.c=null;_.d=0;_.e=0;_.f=null;function IE(a,b,c,d,e){this.f=a;this.c=b;this.e=c;this.d=d;this.b=e}u(488,1,{},IE);_.Oe=function(){jx(this.f.i,this.c,G(this.f.pb,Xf)-this.e-this.d,G(this.f.pb,Wf)-(this.b-this.d))};_.b=0;_.c=null;_.d=0;_.e=0;var JE=_.f=null;
272
+ function KE(){KE=x;JE=new Xu((lv(),new kv("data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAB0AAAAQCAYAAADqDXTRAAAAo0lEQVR42rWVQQ7AIAgEib33KV4b//+bfoK2h0ZUIKxGkz00AZdRoUTEqYrKKw6qtLmIuo/YZn9xy6ZyI29DGTNLq1KGTBdoVUqPwIqFFkLp0WKr4Pek5YCoGKVGe9xG3BeTu7zBFHiNMsc17YyH4517iUTnJQwsZWG60nNNwRwzrqaTtE2xDBijI9AchSip2gaO1CKDd7p/4LPRNlt/bYohpwcTQ8BgJmw3MgAAAABJRU5ErkJggg==")),29,16)}
273
+ function LE(){LE=x;ME=K(ou,s,1,["Copyright (c) 2013, Novartis Institutes for BioMedical Research Inc. and Bruno Bienfait.","All rights reserved."]);NE=(UB(),XB);OE=iC(NE);PE=y(QE,s,90,23,0);RE=y(ou,s,1,23,0);SE=y(QE,s,90,7,0);TE=null!=(JD(),KD[Ye]);UE=y(VE,s,94,100,0);WE=y(XE,s,95,100,0)}function YE(a){var b;if(a.Gb)b=ZE(a,1)+sb+ZE(a,2)+sb+ZE(a,3);else if(b=ZE(a,0),0<b.length){var c=new $E(a.$);lj(a.ab.b,c)}return b}
274
+ function aF(a,b){var c,d;c=b.b;if(H(c,(bF(),cF).c))ns(dF(a));else if(H(c,eF.c))ns(Or(a));else if(H(c,fF.c))a.wb&&(c=a.v,d=(!a.xb&&(a.xb=new os(a)),a.xb),c.b=d,ps(),qs(c));else if(H(c,tg)){7!=a.P&&(a.Q=th);d=b.d;d=Vu(d,sh);c=Ku(d,a.Q);var e=!Iu(c,th)?Du(c):c;!Iu(e,zh)&&gF(a.$,O(c));hF(a);a.nb=!0;FE(a);a.P=7;a.Q=d}else H(c,Ag)||(H(c,pe)?iF(a):jF(a,c))}
275
+ function kF(a,b,c,d){var e,f,g,j,h,n,o,r,q;if(!a.rb&&(j=c-b+1,!(0>=j||b>a.vb||c>a.vb))){h=a.C;e=y(lF,s,-1,4,1);o=y(lF,s,-1,99,1);g=q=r=0;for(f=b;f<=c;++f)mF(a.gb[f],e),r+=e[2],q+=e[3],e[3]>g&&(g=e[3]),o[f]=e[2],2==d&&(o[f]=e[3]);a.A&&(r+=25*(j+1),q+=25*(j+1),g+=25);(0==a.D.c||0==a.D.b)&&(a.D=gB(a));0==a.D.c&&(a.D.c=400);0==a.D.b&&(a.D.b=300);n=f=1;e=a.D.c;j=a.D.b;a.A||(e-=a.Z,j-=3*a.Z);1==d||3==d?e=~~((e-48)/2):2==d&&(j=~~(j/2));r>=e&&(f=e/r);g>=j&&(n=j/g);g=0;a.A&&(a.C=f<n?f:n,g=25*e/r,2==d&&(g=
276
+ 25*j/q));for(f=b;f<=c;++f)2==d?o[f]=o[f]*j/q:o[f]=o[f]*e/r;r=-e/2;q=0;1==d?r=-e-24:3==d?r=24:2==d&&(r=0,q=-j);for(f=b;f<=c;++f){if(a.A){for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]*=a.C,a.gb[f].N[b]*=a.C;nF(a.gb[f])}2==d?q+=o[f]/2+g:r+=o[f]/2+g;for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]+=r,a.gb[f].N[b]+=q;2==d?q+=o[f]/2:r+=o[f]/2;a.A||oF(a.gb[f])}a.C*=h}}
277
+ function pF(a){var b;a.nb=!0;a.d=202;a.qb=!1;if(0!=a.vb){a.nb=!0;a.i=!0;for(b=a.f;b<a.vb;++b)a.gb[b]=a.gb[b+1];--a.vb;a.f=a.vb;0<a.vb?a.$=a.gb[a.f]:(a.$=new qF(a),a.$.s=0);null!=a.tb&&tE(a.tb,null)}}function rF(a,b){var c,d,e,f;f=new bD;d=Ic;c="MOL";e="MOL or SDF";b&&(d="SMIRKS",e=c=Dc);d=new VC(Pb+d);var g=(bF(),cF).c;d.d=g;aD(f,d);nB(d.e,a);d=new VC(Pb+c);d.d=eF.c;nB(d.e,a);aD(f,d);a.wb&&(aD(f,new VC(Ba)),c=a.yb,null==c&&(c="Paste "+e),d=new VC(c),d.d=fF.c,nB(d.e,a),aD(f,d));jA(a,f);return f}
278
+ function sF(a,b,c,d){var e,f,g,j,h,n,o;f=100*d+c;h=(c-1)*(a.Z+a.T);g=(d-1)*(a.Z+a.T);1==c&&2<d&&(g-=2*a.Z);T(b,NE);a.pb?(f==a.d&&T(b,jC(NE)),JC(b,h,g,a.Z,a.Z),T(b,(UB(),ZB)),tF(b,h,g,a.Z-1,a.Z-1)):f==a.d?IC(b,h+1,g+1,a.Z,a.Z,!1):IC(b,h,g,a.Z,a.Z,!0);if(!(1301==f&&!a.Fb||107==f&&!a.Db))if(201!=f||a.Pb)if(103!=f||a.kb)if(!(105==f&&!a.ub&&!a.r)&&(109!=f||a.Gb))if(c=~~(a.Z/4),3>d)switch(T(b,(UB(),aC)),f){case 101:T(b,dC);f=h+3;d=g+3;c=a.Z-6;e=a.Z-6;uF(b,!0);vF(b,wF(b,f,d,c,e));T(b,aC);f=h+3;d=g+3;c=a.Z-
279
+ 6;e=a.Z-6;b.o&&(uF(b,!1),vF(b,wF(b,f,d,c,e)));xF(b,h+6,g+6,a.Z-12,a.Z-12,-35,-110);JC(b,h+9,g+9,2,4);JC(b,h+a.Z-10,g+9,2,4);0.04>Math.random()&&(T(b,bC),JC(b,h+10,g+18,4,4));0.96<Math.random()&&(T(b,dC),JC(b,h+a.Z-10,g+8,2,3));break;case 112:d=h+c;e=h+a.Z-c;j=h+~~(a.Z/2);U(b,d,g+a.Z-c,j,g+~~(a.Z/2));U(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+a.Z-c);n=g+a.Z-c;f=~~(a.Z/24);U(b,j-f,n,j-2*f,n);U(b,j+f,n,j+2*f,n);T(b,eC);U(b,d,g+c,j,g+~~(a.Z/2));U(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+c);n=g+c;U(b,j-f,n,j-2*f,n);U(b,j+f,
280
+ n,j+2*f,n);T(b,aC);break;case 107:T(b,cC);JC(b,h+4,g+4,a.Z-8,a.Z-8);T(b,aC);tF(b,h+4,g+4,a.Z-8,a.Z-8);xF(b,h+6,g+6,a.Z-11,a.Z-12,-35,-110);JC(b,h+9,g+9,2,4);JC(b,h+a.Z-10,g+9,2,4);break;case 108:f=~~(a.Z/4);U(b,h+f,g+a.Z-f,h+a.Z-f,g+f);f=~~(a.Z/2)-f;d=g+~~(2*a.Z/3);h+=~~(a.Z/2);U(b,h,d,h+f,d);g+=~~(a.Z/3);a=h-f;U(b,a,g,h,g);h=~~((a+h)/2);g-=~~(f/2);U(b,h,g,h,g+f);break;case 113:a.Jb&&(f=~~(c/2),d=a.Z-2*c-2*f,c=h+f+c,e=g+(c-h),T(b,gC),tF(b,c,e,d,d),T(b,$B),j=h+~~(a.Z/2),a=g+~~(a.Z/2),n=c+d,o=g+f,g=
281
+ o+f,U(b,c,g,j,o),U(b,j,o,n,g),g=e+d+f,o=g+f,U(b,c,g,j,o),U(b,j,o,n,g),h+=f,n=h+f,g=e+d,U(b,n,e,h,a),U(b,h,a,n,g),h=c+d+f,n=h+f,U(b,h,e,n,a),U(b,n,a,h,g));break;case 110:yF(b,h,g,a.Z,!0);break;case 111:yF(b,h,g,a.Z,!1);break;case 109:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));U(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)+~~(c/2));U(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)-~~(c/2));break;case 102:T(b,VB);JC(b,h+3,g+5,a.Z-7,a.Z-11);T(b,aC);tF(b,h+3,g+5,a.Z-7,a.Z-11);break;case 103:T(b,NE);
282
+ a.qb&&IC(b,h+1,g+1,a.Z,a.Z,!1);T(b,aC);zF(a,b,h,g,"NEW");break;case 106:T(b,bC);U(b,h+7,g+7,h+a.Z-7,g+a.Z-7);U(b,h+8,g+7,h+a.Z-6,g+a.Z-7);U(b,h+7,g+a.Z-7,h+a.Z-7,g+7);U(b,h+8,g+a.Z-7,h+a.Z-6,g+7);T(b,aC);U(b,h+c,g+~~(a.Z/2),h+12,g+~~(a.Z/2));zF(a,b,h+6,g,uc);break;case 104:T(b,bC);U(b,h+7,g+7,h+a.Z-7,g+a.Z-7);U(b,h+8,g+7,h+a.Z-6,g+a.Z-7);U(b,h+7,g+a.Z-7,h+a.Z-7,g+7);U(b,h+8,g+a.Z-7,h+a.Z-6,g+7);T(b,aC);break;case 105:a.Ob?(T(b,fC),U(b,h+11,g+5,h+9,g+9),U(b,h+9,g+9,h+4,g+9),U(b,h+4,g+9,h+8,g+12),U(b,
283
+ h+8,g+12,h+6,g+18),U(b,h+6,g+18,h+11,g+15),U(b,h+12,g+5,h+14,g+9),U(b,h+14,g+9,h+19,g+9),U(b,h+19,g+9,h+15,g+12),U(b,h+15,g+12,h+17,g+18),U(b,h+17,g+18,h+12,g+15),T(b,aC)):zF(a,b,h,g,"123");break;case 114:T(b,hC);f=a.Z-8;d=h+~~((a.Z-f)/2);c=g+~~((a.Z-f)/2);JC(b,d,c,f,f);T(b,aC);AF(a,b,h,g,VB,"i");break;case 201:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)+2);U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)-2);U(b,h+a.Z-c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)-2);break;case 202:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));
284
+ break;case 203:U(b,h+c,g+~~(a.Z/2)-2,h+a.Z-c,g+~~(a.Z/2)-2);U(b,h+c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)+2);break;case 204:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));U(b,h+c,g+~~(a.Z/2)-3,h+a.Z-c,g+~~(a.Z/2)-3);U(b,h+c,g+~~(a.Z/2)+3,h+a.Z-c,g+~~(a.Z/2)+3);break;case 205:U(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));U(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));U(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:BF(a,b,h,g+2,3);break;case 207:BF(a,b,h,g,4);break;
285
+ case 208:BF(a,b,h,g,5);break;case 209:BF(a,b,h,g,1);break;case 210:BF(a,b,h,g,6);break;case 211:BF(a,b,h,g,7);break;case 212:BF(a,b,h,g,8);break;case 213:zF(a,b,h,g,"FG"),a.G=new YC(h,g)}else d=3,301==f?d=3:401==f?d=4:501==f?d=5:601==f?d=8:701==f?d=9:801==f?d=10:901==f?d=11:1001==f?d=12:1101==f?d=7:1201==f?d=18:1301==f&&(d=19),(a.Sb||1201!=f)&&null!=RE[d]&&AF(a,b,h,g,PE[d],RE[d])}
286
+ function CF(a){var b,c,d;a.lb&&(null==a.K&&(a.K=l),d=a.J.b,c=a.D.c-a.Z,b=a.Z,T(d,NE),JC(d,0,0,c,b),a.pb?(T(d,(UB(),ZB)),tF(d,-1,0,c,b-1)):(T(d,OE),U(d,0,0,c-1-2,0),T(d,jC(NE)),U(d,0,b-1,c-1,b-1),U(d,c-1,0,c-1,b-1)),DF(d,a.Y),T(d,(UB(),aC)),-1!=a.K.toLowerCase().indexOf(qe)&&T(d,bC),EF(d,a.K,10,15),FF(a.Vb,a.J,a.Z,a.D.b-a.Z))}
287
+ function GF(a){var b,c,d,e;if(a.mb){d=a.R.b;c=a.Z;b=a.D.b-2*a.Z-a.T;T(d,NE);JC(d,0,0,c,b);a.pb?(T(d,(UB(),ZB)),U(d,0,b-1,c,b-1),e=HF*(a.Z+a.T)+2,U(d,0,e,c,e),U(d,0,e,0,b),U(d,a.Z-1,e,a.Z-1,b-a.Z)):(T(d,OE),U(d,0,0,0,b-1),U(d,0,HF*a.Z,b-1,HF*a.Z),T(d,jC(NE)),U(d,c-1,0,c-1,b-1-a.Z),U(d,0,b-1,c-1,b-1));for(b=3;b<=HF+2;++b)sF(a,d,1,b);FF(a.Vb,a.R,0,2*a.Z+a.T)}}
288
+ function IF(a){var b,c,d,e;if(a.nb){e=a.db.b;c=a.D.c-a.Z;b=a.D.b-3*a.Z-a.T;T(e,a.u);JC(e,0,0,c,b);d=a.eb?(eD(),hD):(eD(),jD);if((eD(),fD)==(eD(),fD))d==hD?e.b=l:e.b=Hg;d=new sB(a.fb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ea);for(d=1;d<=a.vb;++d){var f=a.gb[d],g=e,j=void 0,h=void 0,n=void 0,o=void 0,r=void 0,q=n=void 0,t=void 0,v=void 0,D=void 0,E=D=r=o=void 0,J=void 0,R=void 0,ub=o=v=r=j=void 0,Z=o=j=void 0,L=h=r=h=void 0,fa=D=R=void 0,J=h=q=r=r=E=t=L=j=Z=Z=v=L=J=q=Z=L=t=fa=q=J=n=R=o=v=v=E=J=void 0,
289
+ D=R=1,n=2,fa=3;f.x&&(nF(f),kF(f.o,1,f.o.vb,0),f.x=!1);n*=f.o.C;fa*=f.o.C;j=1;0.7>f.o.C&&(j=1.2);j=O(N(JF(13*f.o.C*j)));KF(f.o,j);f.o.B&&(T(g,(UB(),aC)),tF(g,0,0,f.o.D.c-1,f.o.D.b-1));if(0!=f.u){if(-1==f.k){o=O(N(Math.round(12*n)));for(j=1;j<=f.u;++j)0<f.e[j]&&7>f.e[j]&&(T(g,(LE(),SE)[f.e[j]]),h=g,r=lu(f.K[j]-o/2),Z=lu(f.N[j]-o/2),L=t=o,uF(h,!0),vF(h,wF(h,r,Z,t,L)));for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],0!=f.e[h]&&f.e[h]==f.e[o]&&(T(g,(LE(),SE)[f.e[h]]),J=f.K[o]-f.K[h],R=f.N[o]-f.N[h],D=Math.sqrt(J*
290
+ J+R*R),1>D&&(D=1),R/=D,D=J/D,q=3*fa*R,J=3*fa*D,Z=y(M,m,-1,4,1),r=y(M,m,-1,4,1),Z[0]=lu(f.K[h]+q),r[0]=lu(f.N[h]-J),Z[1]=lu(f.K[o]+q),r[1]=lu(f.N[o]-J),Z[2]=lu(f.K[o]-q),r[2]=lu(f.N[o]+J),Z[3]=lu(f.K[h]-q),r[3]=lu(f.N[h]+J),o=g,h=Z,uF(o,!0),vF(o,LF(o,h,r,4,!0)))}for(j=1;j<=f.v;++j){T(g,(UB(),aC));h=f.I[j];o=f.J[j];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[o]&&T(g,(LE(),SE)[f.e[h]]);if(3==f.C[j]||4==f.C[j])r=h,h=o,o=r;L=f.K[h];t=f.N[h];Z=f.K[o];r=f.N[o];if(1!=f.t[j]||0!=f.C[j])J=Z-L,R=r-t,D=Math.sqrt(J*J+R*R),
291
+ 1>D&&(D=1),R/=D,D=J/D;switch(f.t[j]){case 2:10<=f.C[j]&&T(g,eC);q=n*R;J=n*D;U(g,O(N(Math.round(L+q))),O(N(Math.round(t-J))),O(N(Math.round(Z+q))),O(N(Math.round(r-J))));U(g,O(N(Math.round(L-q))),O(N(Math.round(t+J))),O(N(Math.round(Z-q))),O(N(Math.round(r+J))));T(g,aC);break;case 3:o=O(N(Math.round(L)));h=O(N(Math.round(t)));Z=O(N(Math.round(Z)));r=O(N(Math.round(r)));U(g,o,h,Z,r);L=O(N(Math.round(fa*R)));t=O(N(Math.round(fa*D)));U(g,o+L,h-t,Z+L,r-t);U(g,o-L,h+t,Z-L,r+t);break;case 9:case 0:for(h=
292
+ 0;10>h;++h)v=L-(L-Z)/10*h,E=t-(t-r)/10*h,U(g,O(N(Math.round(v))),O(N(Math.round(E))),O(N(Math.round(v))),O(N(Math.round(E))));DF(g,f.o.n);o=MF(f.o.o);J=f.f[j];h=tb;null!=J&&(h=J);J=mD(f.o.o,h);L=O(N(Math.round((L+Z)/2-J/2)));q=O(N(Math.round((t+r)/2+~~(o/2)-1)));T(g,eC);EF(g,h,L,q);T(g,aC);break;default:if(1==f.C[j]||3==f.C[j])q=fa*R,J=fa*D,E=y(M,m,-1,3,1),v=y(M,m,-1,3,1),E[0]=O(N(Math.round(Z+q))),v[0]=O(N(Math.round(r-J))),E[1]=O(N(Math.round(L))),v[1]=O(N(Math.round(t))),E[2]=O(N(Math.round(Z-
293
+ q))),v[2]=O(N(Math.round(r+J))),o=g,h=E,r=v,uF(o,!0),vF(o,LF(o,h,r,3,!0));else if(2==f.C[j]||4==f.C[j]){q=fa*R;J=fa*D;for(h=0;10>h;++h)v=L-(L-Z)/10*h,E=t-(t-r)/10*h,o=h/10,U(g,O(N(Math.round(v+q*o))),O(N(Math.round(E-J*o))),O(N(Math.round(v-q*o))),O(N(Math.round(E+J*o))))}else U(g,O(N(Math.round(L))),O(N(Math.round(t))),O(N(Math.round(Z))),O(N(Math.round(r))))}}D=y(lF,s,-1,f.u+1,1);R=y(M,m,-1,f.u+1,1);for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],n=f.K[h],r=f.K[o],++R[h],++R[o],D[h]=D[h]/R[h]+r/R[h],D[o]=
294
+ D[o]/R[o]+n/R[o];DF(g,f.o.n);o=MF(f.o.o);J=y(ou,s,1,f.u+1,0);Z=y(M,m,-1,f.u+1,1);r=y(M,m,-1,f.u+1,1);n=y(NF,s,101,f.u+1,0);t=2;1!=f.o.C&&(t=O(N(JF(2*f.o.C))));for(j=1;j<=f.u;++j)h=OF(f,j),(null==h||1>h.length)&&(h=wa),3==f.c[j]&&0<f.A[j]&&0==f.B[j]?(J[j]=h,Z[j]=r[j]=mD(f.o.o,h),n[j]=PF(f,t,j,Z[j],Z[j],o,!1)):(L=D[j]<f.K[j],E=!0,1<R[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/3&&(E=!1),2<R[j]&&(E=!1),1==R[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/10&&(L=!0),q=h,ub=l,f.o.Lb&&
295
+ 0<f.y[j]&&(ub+=Zb,1<f.y[j]&&(ub+=f.y[j])),v=l,0!=f.B[j]&&(1<Xj(f.B[j])&&(v+=Xj(f.B[j])),0<f.B[j]?v+=xa:v+=Ba),L||!E?h=h+ub+v+l:h=v+ub+l+h,E||(q=h),J[j]=h,q=mD(f.o.o,q),v=mD(f.o.o,h),Z[j]=q,r[j]=v,v=n[j]=PF(f,t,j,q,v,o,L),L=v.d+t+1,q=v.e+o+t,T(g,f.o.u),-1==f.k&&0!=f.e[j]&&T(g,(LE(),SE)[f.e[j]]),JC(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?T(g,(LE(),SE)[f.e[j]]):T(g,(UB(),aC)):T(g,(LE(),PE)[f.c[j]]),EF(g,h,L,q));for(h=1;h<=f.z;++h)j=f.r[h][0],q=Z[j],v=r[j],L=O(N(JF(f.K[j]-q/2))),q=O(N(JF(f.N[j]+~~(o/2)-1))),
296
+ T(g,(UB(),eC)),EF(g,ba+f.r[h][1],L+v,q);if(0<f.E||0<f.F)if(T(g,104==f.o.d?(UB(),bC):(UB(),hC)),0<f.E&&106!=f.o.d&&(v=n[f.E],tF(g,v.d,v.e,v.c,v.b)),0<f.F&&(h=f.I[f.F],o=f.J[f.F],J=f.K[o]-f.K[h],R=f.N[o]-f.N[h],D=Math.sqrt(J*J+R*R),1>D&&(D=1),R/=D,D=J/D,q=(fa+1)*R,J=(fa+1)*D,E=y(M,m,-1,5,1),v=y(M,m,-1,5,1),E[0]=O(N(JF(f.K[h]+q))),E[1]=O(N(JF(f.K[o]+q))),v[0]=O(N(JF(f.N[h]-J))),v[1]=O(N(JF(f.N[o]-J))),E[3]=O(N(JF(f.K[h]-q))),E[2]=O(N(JF(f.K[o]-q))),v[3]=O(N(JF(f.N[h]+J))),v[2]=O(N(JF(f.N[o]+J))),E[4]=
297
+ E[0],v[4]=v[0],106!=f.o.d&&(fa=g,j=E,R=v,fa.o&&(uF(fa,!1),vF(fa,LF(fa,j,R,5,!0)))),106==f.o.d&&QF(f,f.I[f.F],f.J[f.F]))){fa=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++fa;if(fa>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;T(g,(UB(),bC));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],tF(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(T(e,(UB(),ZB)),U(e,c-1,0,c-1,b-1)):(T(e,jC(NE)),U(e,c-1,0,c-1,b-1),T(e,NE),U(e,c-2,0,c-2,b-1),T(e,OE),U(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),T(e,(UB(),eC)),U(e,d,~~(b/2),d+48,~~(b/2)),U(e,
298
+ d+48,~~(b/2),d+48-6,~~(b/2)+6),U(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.A&&(a.U=new wC(ac,0,13),a.X=new lD(a.U),null!=a.cb&&(d=mD(a.X,a.cb),c=O(N(Math.round((c-d)/2))),b-=13,T(e,(UB(),aC)),DF(e,a.U),EF(e,a.cb,c,b)));FF(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
299
+ function BF(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(M,m,-1,9,1);n=y(M,m,-1,9,1);c+=~~(a.Z/2);d+=~~(a.Z/2);a=~~(a.Z/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=lu(c+a*Math.sin(j)),n[f]=lu(d+a*Math.cos(j));f=e+1;b.o&&(uF(b,!1),vF(b,LF(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=lu(c+(a-3)*Math.sin(j)),n[f]=lu(d+(a-3)*Math.cos(j));U(b,h[0],n[0],h[1],n[1]);U(b,h[2],n[2],h[3],n[3]);U(b,h[4],n[4],h[5],n[5])}}
300
+ function RF(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;T(d,NE);JC(d,0,0,b,c);a.pb?(T(d,(UB(),ZB)),c=14*(a.Z+a.T),tF(d,c,0,b-c-1,2*a.Z+a.T-1)):(T(d,jC(NE)),U(d,b-1,0,b-1,c-1),U(d,0,c-1,b-1-2,c-1),T(d,OE),U(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)sF(a,d,b,1),sF(a,d,b,2);a.d=c;FF(a.Vb,a.Rb,0,0)}}
301
+ function yF(a,b,c,d,e){var f,g,j,h,n,o,r,q;n=~~(d/4);o=2+~~(n/2);g=2+n;q=c+~~(10*d/24);h=q+n;r=b+d;e?(j=2+b,f=o+b,g+=b):(f=r-o,j=r-2,g=r-g);U(a,j,q,f,h);U(a,g,q,f,h);j=~~(n/3);U(a,f,q+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=r-f-o,h*=-1,e=-90);xF(a,b,c+o-j,f,d-4-j-1,e,h)}
302
+ function SF(a,b,c){var d,e,f,g,j,h;TF(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=UF(b);b=new rE(b,j,!0);e=l;for(d=1;5>=d;++d)e=VF(b,j);d=WF(XD(uo(e.substr(0,3)),10)).b;g=WF(XD(uo(e.substr(3,3)),10)).b;VF(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=VF(b,j),null==h||H(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new XF(a,f)}kF(a,1,d,1);kF(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new XF(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",FE(a),!1;null!=a.j&&a.$&&YF(a.$,a.j,!0);null!=a.k&&
303
+ a.$&&YF(a.$,a.k,!1);j=ZF(a.$,!1);if(1==j)a.gb[++a.vb]=a.$;else{a.kb=!0;for(e=1;e<=j;++e)a.gb[++a.vb]=new $F(a,a.$,e)}a.f=1;a.$=a.gb[a.f];kF(a,1,j,0)}c&&FE(a);return!0}function rs(a,b){a.lb=!0;a.K=b}function KF(a,b){100>b&&(!UE[b]&&(UE[b]=new wC(ac,0,b)),!WE[b]&&iu(WE,b,new lD(UE[b])),a.n=UE[b],a.o=WE[b])}
304
+ function vs(a,b){var c,d;if(0==b)return!1;hF(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:pF(a);break;case 110:a.nb=!0;a.d=c;a._.b!=a._.c&&a._.b.c!=a._.c?a.i&&(++a.vb,a.f=a.vb,a.i=!1):(a.lb=!0,a.K="No more undo");if(!(a._.b!=a._.c&&a._.b.c!=a._.c))break;aG(a,bG(a._));a.nb=!0;break;case 111:a.d=c;if(a._.b.d)a.i&&(++a.vb,a.f=a.vb,a.i=!1);else{a.lb=!0;a.K="No more redo";break}if(!a._.b.d)break;d=a._;if(!d.b.d)throw new Mw("Cannot redo. Index is out of range.");if(!d.b.d)throw new Mw(dc);
305
+ d.b=d.b.d;aG(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=Cv(d,d.b)):d=null;null==d?(a.lb=!0,a.K=nc):(rs(a,jc+(a.Ib.b+1)+ca+a.Ib.d),d=cG(d),dG(a,d,!1,!0),null!=a.tb&&tE(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=Cv(d,d.b)):d=null;null==d?(a.lb=!0,a.K=nc):(rs(a,jc+(a.Ib.b+1)+ca+a.Ib.d),d=cG(d),dG(a,d,!1,!0),null!=a.tb&&tE(a.tb,null));break;case 101:a.Mb&&eG(a.Mb);a.Mb=new fG(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new gG(a):a.Eb.hc.d.hb?hG(a.Eb.hc.d):iG(a.Eb);break;case 114:a.c&&
306
+ eG(a.c);a.c=new fG(0,a);a.d=c;break;case 103:a.nb=!0;a.qb=!0;a.d=c;break;case 105:a.nb=!0;a.r&&a.hb&&(a.hb=!1,jG(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=kG(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(lF,s,-1,4,1);mF(a.$,d);a.nb=!0;a.$=new $E(a.$);d=lu(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;lG(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,mG(a.$,a.$.E),a.$.E=0,iF(a)):0<a.$.F&&(a.nb=!0,nG(a.$,a.$.F),a.$.F=0,iF(a));oG(a.$);break;case 213:a.d=
307
+ c;if(!a.F){var e,f,g,j;j=new bD;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new VC(c),aD(j,g),g.d=c,nB(g.e,a);jA(a,j);a.F=j}pG(a.F.b,a,a.G.b,a.G.c)}else{a.mb=!0;a.ob=!0;switch(b){case 301:a.e=3;break;case 401:a.e=4;break;case 501:a.e=5;break;case 701:a.e=9;break;case 801:a.e=10;break;case 901:a.e=11;break;case 1001:a.e=12;break;case 601:a.e=8;break;case 1101:a.e=7;break;case 1300:a.e=1;break;case 1201:a.p&&(eG(a.p),a.p=null);0==a.$.E&&(a.p=new fG(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
308
+ 20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.E&&(a.nb=!0,a.e!=a.$.c[a.$.E]&&18!=a.e&&(a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,iF(a)),18==a.e&&(d=Bo((ss(),ts).hc.b.pb,jh),qG(a.$,a.$.E,d),iF(a)),oG(a.$))}FE(a);return!0}
309
+ function Or(a){var b,c,d;d=dF(a);c=l;if(a.Gb){var e,f,g;g=cu([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)kG(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(rG(g[1][0],3)+rG(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+sG(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+sG(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new tG(a,a.gb,a.vb)),c=sG(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
310
+ function uG(a,b,c,d){var e;e=c;var f=d,g,j;(g=vG(b),j=0!=(b.f&2),g||j)?(g=a.Gb?(!a.x&&(a.x=rF(a,!0)),a.x):(!a.w&&(a.w=rF(a,!1)),a.w),pG(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=wG(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){e=0;for(b=1;14>=b;++b)if(c<b*(a.Z+a.T)){e=b;break}c=0;for(b=1;b<=HF+2;++b)if(d<b*(a.Z+a.T)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",FE(a),!0;
311
+ if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",FE(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=vs(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)mG(a.$,a.$.E),a.$.E=0,iF(a);else{if(106==a.d)return!0;if(108==a.d)xG(a.$,a.$.E,0),iF(a);else if(157==a.d)xG(a.$,a.$.E,1),iF(a);else if(158==a.d)xG(a.$,a.$.E,-1),iF(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
312
+ 1,W(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):iF(a);else if(206<=a.d&&229>=a.d)a.P=2,yG(a.$),iF(a);else if(230==a.d)a.P=3,iF(a);else if(233<=a.d&&262>a.d)zG(a.$,!1),iF(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;qG(a.$,a.$.E,Bo(a.Eb.f.hc.b.pb,jh));a.$.n=!0;iF(a)}else if(105==a.d)AG(a.$),iF(a);else if(113!=a.d)if(300<a.d){if(a.e!=a.$.c[a.$.E]||18==a.e)a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,18==a.e&&(d=Bo((ss(),ts).hc.b.pb,jh),1>d.length&&(d=Tc),qG(a.$,a.$.E,
313
+ d)),iF(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,yG(a.$),iF(a);else if(0<a.$.F)if(104==a.d)nG(a.$,a.$.F),a.$.F=0,iF(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])rs(d.o,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.u;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;mG(d,c);d.b[c]=0}a.$.F=0;iF(a)}else if(201==a.d)BG(a.$,a.$.F),iF(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),iF(a),a.$.C[a.$.F]=
314
+ 0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,iF(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,iF(a);else if(206<=a.d&&229>=a.d)a.P=2,yG(a.$),iF(a);else if(107==a.d){if(!a.Eb.c)return!0;d=Bo(a.Eb.f.hc.b.pb,jh);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;iF(a)}else 105==a.d?(a.lb=!0,a.K="Only atoms may be marked !"):e=!1;else if(0==a.vb||a.qb){if(201>=a.d)return!1;++a.vb;a.f=a.vb;a.gb[a.vb]=new qF(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(CG(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
315
+ 1,a.$.G=1,a.P=1,W(a.$,0),205==a.d&&(a.$.K[2]=c+21.65,a.$.N[2]=d-12.5,a.$.j[0]=1,a.$.j[1]=2,a.$.w=1)):206<=a.d&&229>=a.d?(a.$.M=c,a.$.P=d,a.P=2,yG(a.$)):300<a.d?(CG(a.$),a.$.c[1]=a.e,a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,18==a.e&&(d=Bo((ss(),ts).hc.b.pb,jh),1>d.length&&(d=Tc),qG(a.$,1,d))):230==a.d?DG(a,null,!0):233<=a.d&&262>a.d?(CG(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,zG(a.$,!0)):JD();iF(a)}else e=!1;e&&(oG(a.$),a.mb=!1,a.ob=!1,a.nb=!0,FE(a))}return e}
316
+ function EG(a,b,c,d){var e,f;if(a.A||!a.ib||vG(b))return!0;a.lb=!1;c-=a.Z;d-=2*a.Z;e=c-a.Tb;f=d-a.Ub;if(2==a.P||3==a.P||9==a.P)return!0;if(1==a.P){a:{b=a.$;e=c;f=d;var g,j,h,n,o,r,q;b.E=0;b.K[0]=e;b.N[0]=f;g=FG(b,0);if(0<g&&205!=b.o.d)b.E=g,g!=b.G?(b.K[b.u]=b.K[g],b.N[b.u]=b.N[g]):(b.K[b.u]=b.M,b.N[b.u]=b.P);else if(205==b.o.d){b.F=0;g=b.j[b.w];n=b.j[b.w-1];j=b.K[g]-b.K[n];h=b.N[g]-b.N[n];g=Math.sqrt(j*j+h*h);1>g&&(g=1);h/=g;j/=g;o=g/2/Math.tan(0.5235987755982988);r=e-b.K[n];q=f-b.N[n];n=-g/2+r*j+
317
+ q*h;h=q*j-r*h;if(0>n)if(1<b.w)mG(b,b.u),--b.w,b.D=!1;else if(2==b.u)0>b.N[2]-b.N[1]&&0<f-b.N[1]?b.N[2]=b.N[1]+g/2:0<b.N[2]-b.N[1]&&0>f-b.N[1]&&(b.N[2]=b.N[1]-g/2),0>b.K[2]-b.K[1]&&0<e-b.K[1]?b.K[2]=b.K[1]+0.866*g:0<b.K[2]-b.K[1]&&0>e-b.K[1]&&(b.K[2]=b.K[1]-0.866*g);else{if(2==b.A[b.j[0]]&&(o=b.H[b.j[0]][1],o==b.j[1]&&(o=b.H[b.j[0]][2]),j=b.K[b.j[0]]-b.K[o],h=b.N[b.j[0]]-b.N[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,r=e-b.K[o],q=f-b.N[o],e=q*j-r*h,r=b.K[b.j[1]]-b.K[o],q=b.N[b.j[1]]-b.N[o],f=q*j-
318
+ r*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],W(b,0),nG(b,e),0<FG(b,b.u)&&(b.D=!0)}else{if(b.D)break a;e=-1;n<1.5*g&&(e=(1.5*g-n)*o/(1.5*g));if((0>=h?0-h:h)>e){++b.w;if(100<b.w){rs(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;W(b,O(N(Math.round(h))));b.j[b.w]=b.u;0<FG(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;rs(b.o,e+l)}else j=e-b.K[b.G],h=f-b.N[b.G],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.K[b.u]=b.K[b.G]+25*(j/g),b.N[b.u]=b.N[b.G]+25*(h/g)}a.s=!0}else if(113==a.d&&0<a.$.E)a.jb||(a.jb=
319
+ !0),b=a.$,0<b.E&&(e=b.E,b.K[e]=c,b.N[e]=d);else if(wG(b)||vG(b))gF(a.$,e),a.P=5;else if(0==a.$.E&&0==a.$.F){5!=a.P&&(e=f=0);b=a.$;for(g=1;g<=b.u;++g)b.K[g]+=e,b.N[g]+=f;h=y(lF,s,-1,4,1);mF(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.o.D.c-b.o.Z&&0<h&&h<b.o.D.b-3*b.o.Z))for(g=1;g<=b.u;++g)b.K[g]-=e,b.N[g]-=f;a.P=5}a.E=!1;hF(a);a.nb=!0;FE(a);a.Tb=c;a.Ub=d;return!0}
320
+ function GG(a,b,c,d){var e,f,g;if(!(a.A&&null==a.sb||vG(b))){c-=a.Z;d-=2*a.Z;g=!1;f=0;b=1;a:for(;b<=a.vb;++b){e=a.gb[b];for(var j=c,h=d,n=void 0,o=void 0,r=void 0,q=void 0,t=void 0,n=void 0,r=0,t=((LE(),TE)?350:170)+1,q=1;q<=e.v;++q)n=j-e.L[q],o=h-e.O[q],n=n*n+o*o,n<t&&(t=n,r=q);r*=-1;for(q=1;q<=e.u;++q)n=j-e.K[q],o=h-e.N[q],n=n*n+o*o,n<t&&(t=n,r=q);e=r;if(0!=e){a.gb[b].E=0<e?e:0;a.gb[b].F=0>e?-e:0;f=b;g=!0;HG(a,a.gb[b].E);113==a.d&&0>e&&(g=!1,a.gb[b].F=0);break a}else if(HG(a,0),0<a.gb[b].E||0<a.gb[b].F)a.gb[b].E=
321
+ 0,a.gb[b].F=0,g=!0}if(g){for(b=a.f+1;b<=a.vb;++b)a.gb[b].E=0,a.gb[b].F=0;a.E=!1;hF(a);a.nb=!0;FE(a)}!a.A&&0!=f&&f!=a.f&&(a.f=f,a.$=a.gb[a.f])}}
322
+ function IG(a){if(a.A)return!0;a.jb&&(a.jb=!1,iF(a));a.lb=!1;a.Q=th;if(1==a.P){if(205==a.d){var b=a.$,c,d;b.D&&(c=FG(b,b.u),6>b.A[c]&&(JG(b),d=b.j[b.w-1],b.I[b.v]=c,b.J[b.v]=d,b.H[c][++b.A[c]]=d,b.H[d][++b.A[d]]=c),mG(b,b.u));b.D=!1;iF(a)}else a:{var b=a.$,e,f;c=FG(b,b.u);if(0!=c){--b.u;for(f=1;f<b.v;++f)if(d=b.I[f],e=b.J[f],d==c&&e==b.G||d==b.G&&e==c){--b.v;--b.A[b.G];3>b.t[f]?(++b.t[f],b.C[f]=0):rs(b.o,"Maximum allowed bond order is 3 !");break a}6==b.A[c]?(--b.v,--b.A[b.G],rs(b.o,"Not possible connection !")):
323
+ (b.J[b.v]=c,b.H[c][++b.A[c]]=b.G,b.H[b.G][b.A[b.G]]=c,b.L[b.v]=O(N(JF((b.K[b.G]+b.K[c])/2))),b.O[b.v]=O(N(JF((b.N[b.G]+b.N[c])/2))))}}oF(a.$);a.s&&(b=a._,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,bG(b),b.b.d=c),iF(a),a.s=!1)}else 5==a.P&&(oF(a.$),iF(a));0<a.P&&(a.E=!1,hF(a),a.nb=!0,oG(a.$),KG(a.$),FE(a),a.P=0,a.i=!1);if(TE&&(0!=a.$.F||0!=a.$.E))a.$.F=0,a.$.E=0,hF(a),a.nb=!0,FE(a);return!0}function hF(a){a.mb=!1;a.ob=!1;a.nb=!1}
324
+ function HG(a,b){if(null!=a.sb&&!(0>=b&&0==a.Cb||b==a.Cb&&a.f==a.Bb))0>=b&&0<a.Cb&&(b=0),a.Cb=b,a.Bb=a.f,tE(a.sb,K(LG,s,128,[new S(a.f),new S(b)]))}
325
+ function MG(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Fb=!1:-1<b.indexOf("rbutton")&&(a.Fb=!0);-1<b.indexOf("nohydrogens")?a.Lb=!1:-1<b.indexOf("hydrogens")&&(a.Lb=!0);-1<b.indexOf("keephs")&&(a.O=!0);-1<b.indexOf("removehs")&&(a.O=!1);-1<b.indexOf("noquery")?a.Db=!1:-1<b.indexOf("query")&&(a.Db=!0);-1<b.indexOf(Qf)?a.Gb=!1:-1<b.indexOf(ng)&&(a.Gb=!0);-1<b.indexOf("noautoez")?a.q=!1:-1<b.indexOf("autoez")&&(a.q=!0);-1<b.indexOf("nostereo")?a.Pb=!1:-1<b.indexOf("stereo")&&(a.Pb=!0);
326
+ -1<b.indexOf("nocanonize")?a.t=!1:-1<b.indexOf("canonize")&&(a.t=!0);-1<b.indexOf("nomultipart")?a.kb=!1:-1<b.indexOf(Lf)&&(a.kb=!0);-1<b.indexOf("nonumber")?(a.ub=!1,a.r=!1):-1<b.indexOf(Uf)&&(a.ub=!0,a.r=!1);-1<b.indexOf("newlook")?(a.pb=!0,a.T=1):-1<b.indexOf("oldlook")&&(a.pb=!1,a.T=0);-1<b.indexOf("autonumber")&&(a.r=!0,a.ub=!0);-1<b.indexOf("star")&&(a.Ob=!0,a.ub=!0);-1<b.indexOf("nostar")&&(a.Ob=!1,a.ub=!1);-1<b.indexOf("polarnitro")&&(a.zb=!0);-1<b.indexOf("nopolarnitro")&&(a.zb=!1);-1<b.indexOf("depict")&&
327
+ (a.A=!0,a.Z=0,a.db=null,kF(a,1,a.vb,0));if(-1<b.indexOf("nodepict")){a.A=!1;for(d=1;d<=a.vb;++d)NG(a.gb[d]),nF(a.gb[d]);a.C=1;a.Z=24;a.$&&(a.$.x=!0)}-1<b.indexOf("xbutton")&&(a.Sb=!0);-1<b.indexOf("noxbutton")&&(a.Sb=!1);d=a.wb;-1<b.indexOf("nopaste")?a.wb=!1:-1<b.indexOf(dg)&&(a.wb=!0);d!=a.wb&&(a.w=null,a.x=null);-1<b.indexOf(sd)&&(a.B=!0);-1<b.indexOf("noborder")&&(a.B=!1);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.rb=!0);-1<b.indexOf("jmeh")&&
328
+ (a.N=!0);-1<b.indexOf("showan")&&(a.Kb=!0);-1<b.indexOf("atommovebutton")&&(a.Jb=!0);-1<b.indexOf("noatommovebutton")&&(a.Jb=!1);a.Gb&&(a.r=!0,a.kb=!0);a.A||(a.B=!1);a.Fb&&++HF;c&&FE(a)}
329
+ function FE(a){var b,c,d,e;b=gB(a);!a.D||b.c!=a.D.c||b.b!=a.D.b||!a.db||!a.J?(e=!1,a.D&&(e=b.c!=a.D.c||b.b!=a.D.b),a.D=b,d=b.c-a.Z,c=b.b-3*a.Z-a.T,1>d&&(d=1),1>c&&(c=1),a.db=a.Pe(a.db,d,c),a.A&&e&&kF(a,1,a.vb,0),IF(a),a.A||(a.Rb=a.Pe(a.Rb,b.c,2*a.Z+a.T),RF(a),c=b.b-2*a.Z+a.T,1>c&&(c=1),a.R=a.Pe(a.R,a.Z,c),GF(a),a.J=a.Pe(a.J,d,a.Z),CF(a))):(IF(a),a.A||(CF(a),a.E&&(RF(a),GF(a)),a.E=!0));a.mb=!0;a.ob=!0;a.nb=!0;a.lb=!0}
330
+ function OG(a,b){var c,d,e;e=l;for(d=1;d<=a.vb;++d){if(0<b&&(c=kG(a.gb[d]),c!=b))continue;c=a.gb[d];for(var f=void 0,g=void 0,j=void 0,h=void 0,n=g=f=void 0,o=void 0,j=void 0,o=l+c.u+ba+c.v,h=1;h<=c.u;++h){j=OF(c,h);c.o.N&&0<c.y[h]&&(j+=Zb,1<c.y[h]&&(j+=c.y[h]));0!=c.B[h]&&(0<c.B[h]?j+=xa:j+=Ba,1<Xj(c.B[h])&&(j+=Xj(c.B[h])));g=-1;for(f=1;f<=c.z;++f)if(c.r[f][0]==h){g=c.r[f][1];break}c.o.Ob&&0<c.e[h]&&(g=1);-1<g&&(j+=mb+g);o+=ba+j+ba+PG(0.055999999999999994*c.K[h],0,2)+ba+PG(0.055999999999999994*-c.N[h],
331
+ 0,2)}for(h=1;h<=c.v;++h)f=c.I[h],g=c.J[h],n=c.t[h],1==c.C[h]?n=-1:2==c.C[h]?n=-2:3==c.C[h]?(n=-1,j=f,f=g,g=j):4==c.C[h]?(n=-2,j=f,f=g,g=j):10==c.C[h]&&(n=-5),9==c.t[h]&&(n=c.C[h]),o+=ba+f+ba+g+ba+n;c=o;0<c.length&&(0<e.length&&(e+=rh),e+=c)}return e}function ZE(a,b){var c,d,e;e=l;for(c=1;c<=a.vb;++c){if(0<b&&(d=kG(a.gb[c]),d!=b))continue;d=void 0;d=QG(a.gb[c]);d=RG(d);0<d.length&&(0<e.length&&(e+=Xa),e+=d)}return e}
332
+ function iF(a){var b;switch(a.P){case 5:case 7:case 9:break;default:null!=a.tb&&tE(a.tb,null)}var c,d,e;e=new SG;e.b=a.f;e.i=a.vb;c=!1;for(b=1;99>b;++b)if(d=a.gb[b])0<d.u&&(c=!0),e.e[b]=QG(d);else break;e.j=a.Gb;e.f=a.kb;e.c=a.C;e.d=a.P;if(b=c?e:null)a=a._,b=new TG(b),c=a.b.d,a.b.d=b,b.c=a.b,c&&(b.d=c,c.c=b),a.b=b}function dG(a,b,c,d){try{SF(a,b,d)?c&&iF(a):FE(a)}catch(e){if(e=cj(e),A(e,125))FE(a);else throw e;}}
333
+ function DG(a,b,c){try{var d;a:{var e,f,g,j,h,n,o,r;TF(a,c);e=j=0;r=new rE(b,"|>",!0);g=-1<b.indexOf(sb);n=1;h=kE(r);a.vb=0;for(f=1;f<=h;++f)if(o=oE(r),uo(o),!H(o,rh))if(H(o,sb))++n,2==n?j=a.vb:3==n&&(e=a.vb+1);else{a.$=new UG(a,o);if(0==a.$.u){VG(a,"ERROR - problems in reading/processing molecule !");JD();d=!1;break a}++a.vb;a.f=a.vb;a.gb[a.vb]=a.$}2==n?(VG(a,"ERROR - strange reaction - fixing !"),JD(),d=!1):3<n?(VG(a,"ERROR - strange reaction !"),JD(),d=!1):(1<a.vb&&!g&&MG(a,Lf,!0),g&&!a.Gb&&MG(a,
334
+ ng,!0),!g&&a.Gb&&MG(a,Qf,!0),g?(kF(a,1,j,1),kF(a,j+1,e-1,2),kF(a,e,a.vb,3)):kF(a,1,a.vb,0),c&&FE(a),d=!0)}d?iF(a):FE(a)}catch(q){if(q=cj(q),A(q,125))FE(a);else throw q;}}function WG(a){hF(a);a.nb=!0;FE(a)}function TF(a,b){a.d=202;a.qb=!1;a.vb=0;a.f=0;a.$=new qF(a);a.$.s=0;a.cb=null;a.C=1;a.nb=!0;b&&FE(a);null!=a.tb&&tE(a.tb,null)}
335
+ function aG(a,b){var c,d;a.f=b.b;a.vb=b.i;for(c=1;99>c;++c)(d=b.e[c])?a.gb[c]=QG(d):a.gb[c]=null;a.$=a.gb[a.f];a.Gb=b.j;a.kb=b.f;a.C=b.c;switch(b.d){case 5:case 7:case 9:break;default:null!=a.tb&&tE(a.tb,null)}}function XG(a,b){a.lb=!0;a.K=l;return 1>b||b>a.vb?(a.lb=!0,a.K="ERROR - invalid mol index: "+b,FE(a),null):a.gb[b]}
336
+ function jF(a,b){var c;c=-1;H(b,"Select substituent")?(c=202,b=l):H(b,Ia)?c=235:H(b,Ja)?c=240:H(b,Ha)?c=260:H(b,Na)?c=261:H(b,Ta)?c=241:H(b,Ma)?c=233:H(b,La)?c=236:H(b,Ka)?c=237:H(b,Sa)?c=234:H(b,Ra)?c=243:H(b,Ua)?c=252:H(b,Pa)?c=244:H(b,Va)?c=239:H(b,"-PO3H2")?c=251:H(b,Ga)?c=242:H(b,Ea)?c=245:H(b,Fa)&&(c=238);0<c?vs(a,c):b="Not known group!";a.lb=!0;a.K=b;FE(a)}function VG(a,b){a.lb=!0;a.K=b;FE(a)}function dF(a){var b;b=YE(a);hF(a);FE(a);return b}
337
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+ _.Tb=0;_.Ub=0;var HF=10,UE,WE,NE,OE,PE,ME,TE,ZG=null,SE,RE;
341
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+ function EE(a,b){var c,d,e;d=!1;if(null!=b){if(null!=a.b.Ab){tE(a.b.Ab,K(ou,s,1,[b]));return}e=l;c=a.b.Ib;var f,g,j,h;if(null==b)c=0;else if(f=kI(b,"\\$\\$\\$\\$\r?\n?"),1>=f.length)c=0;else{for(j=0,h=f.length;j<h;++j)g=f[j],iu(c.c,c.d++,g);c=f.length}0<c&&(e=". Use Page Up/Down for SDF access ("+c+va);try{SF(a.b,b,!0)?(rs(a.b,"Structure pasted"+e),iF(a.b),fB(a.b),d=!0):(iG(new tH(a.b.K,a.b,NE)),TF(a.b,!0),fB(a.b))}catch(n){if(n=cj(n),A(n,125))e=a.b,e.lb=!0,e.K="ERROR - invalid MOL ",FE(e),iG(new tH(a.b.K,
406
+ a.b,NE)),fB(a.b);else throw n;}}d&&a.b.Qe(b)}function os(a){this.b=a}u(566,1,{},os);_.b=null;function bF(){bF=x;cF=new RI("COPY_SMILES",0);eF=new RI("COPY_MOL",1);fF=new RI("PASTE",2);SI=K(TI,s,140,[cF,eF,fF])}function RI(a,b){I.call(this,a,b)}u(567,141,{118:1,122:1,124:1,140:1},RI);var SI,eF,cF,fF;function SG(){this.e=y(aH,s,141,99,0)}u(568,1,{},SG);_.b=0;_.c=1;_.d=0;_.f=!1;_.i=0;_.j=!1;
407
+ function UI(a){a.c=y(M,m,-1,20,1);a.B=y(M,m,-1,20,1);a.K=y(lF,s,-1,20,1);a.N=y(lF,s,-1,20,1);a.H=cu([20,7]);a.e=y(M,m,-1,20,1);a.d=y(ou,s,1,20,0);a.p=y(ou,s,1,20,0);a.y=y(M,m,-1,20,1);a.A=y(M,m,-1,20,1);a.I=y(M,m,-1,20,1);a.J=y(M,m,-1,20,1);a.t=y(M,m,-1,20,1);a.C=y(M,m,-1,20,1);a.L=y(M,m,-1,20,1);a.O=y(M,m,-1,20,1);a.f=y(ou,s,1,20,0);a.r=cu([10,2]);a.j=y(M,m,-1,101,1)}
408
+ function VI(a,b,c,d){var e,f,g,j,h,n,o,r,q;h=y(M,m,-1,4,1);f=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(f*f+g*g);0.001>o&&(o=0.001);q=g/o;e=f/o;n=y(M,m,-1,4,1);for(j=0;4>j;++j)d[j]==c||0>=d[j]||(0==n[1]?n[1]=d[j]:0==n[2]?n[2]=d[j]:0==n[3]&&(n[3]=d[j]));r=y(lF,s,-1,4,1);d=y(lF,s,-1,4,1);for(j=1;3>=j;++j)3==j&&0==n[3]||(f=(a.K[n[j]]-a.K[b])*e+(a.N[n[j]]-a.N[b])*q,g=(a.N[n[j]]-a.N[b])*e-(a.K[n[j]]-a.K[b])*q,o=Math.sqrt(f*f+g*g),0.001>o&&(o=0.001),r[j]=g/o,d[j]=f/o);a=WI(r[1],d[1],r[2],d[2]);0<n[3]?(b=
409
+ WI(r[2],d[2],r[3],d[3]),d=WI(r[1],d[1],r[3],d[3]),0<a&&0<b?(h[1]=n[1],h[2]=n[2],h[3]=n[3]):0<d&&0>b?(h[1]=n[1],h[2]=n[3],h[3]=n[2]):0>a&&0<d?(h[1]=n[2],h[2]=n[1],h[3]=n[3]):0<b&&0>d?(h[1]=n[2],h[2]=n[3],h[3]=n[1]):0>d&&0<a?(h[1]=n[3],h[2]=n[1],h[3]=n[2]):0>b&&0>a&&(h[1]=n[3],h[2]=n[2],h[3]=n[1])):0<a?(h[1]=n[1],h[2]=n[2]):(h[1]=n[2],h[2]=n[1]);h[0]=c;return h}
410
+ function W(a,b){var c,d,e,f,g,j,h,n;CG(a);switch(a.A[a.E]){case 0:a.K[a.u]=a.K[a.E]+21.65*a.o.C;a.N[a.u]=a.N[a.E]+12.5*a.o.C;break;case 1:c=a.H[a.E][1];d=0;2==a.A[c]&&(a.H[c][1]==a.E?d=a.H[c][2]:d=a.H[c][1]);e=a.K[a.E]-a.K[c];f=a.N[a.E]-a.N[c];j=Math.sqrt(e*e+f*f);0.001>j&&(j=0.001);f/=j;e/=j;h=j+25*a.o.C*Math.cos(1.0471975511965976);n=25*a.o.C*Math.sin(1.0471975511965976);g=XI(a,a.E,c);if(3==a.t[g]||204==a.o.d||1!=a.t[g]&&(203==a.o.d||204==a.o.d)||a.q)h=j+25*a.o.C,n=0;0<d&&0<(a.N[d]-a.N[c])*e-(a.K[d]-
411
+ a.K[c])*f&&(n=-n);0<b&&0>n?n=-n:0>b&&0<n&&(n=-n);a.K[a.u]=a.K[c]+h*e-n*f;a.N[a.u]=a.N[c]+n*e+h*f;break;case 2:c=y(lF,s,-1,2,1);YI(a,a.E,25*a.o.C,c);a.K[a.u]=c[0];a.N[a.u]=c[1];break;case 3:case 4:case 5:for(g=1;g<=a.A[a.E]&&!(c=a.H[a.E][g],e=a.K[a.E]-a.K[c],f=a.N[a.E]-a.N[c],j=Math.sqrt(e*e+f*f),0.001>j&&(j=0.001),a.K[a.u]=a.K[a.E]+25*a.o.C*e/j,a.N[a.u]=a.N[a.E]+25*a.o.C*f/j,0==FG(a,a.u)||g==a.A[a.E]);++g);break;default:--a.u;rs(a.o,"Are you trying to draw an hedgehog ?");a.o.P=9;return}a.A[a.u]=
412
+ 1;++a.A[a.E];JG(a);a.t[a.v]=1;203==a.o.d&&(a.t[a.v]=2);204==a.o.d&&(a.t[a.v]=3);a.I[a.v]=a.E;a.J[a.v]=a.u;201==a.o.d&&BG(a,a.v);a.H[a.u][1]=a.E;a.H[a.E][a.A[a.E]]=a.u;a.L[a.v]=O(N(JF((a.K[a.E]+a.K[a.u])/2)));a.O[a.v]=O(N(JF((a.N[a.E]+a.N[a.u])/2)));a.M=a.K[a.u];a.P=a.N[a.u]}
413
+ function zG(a,b){var c;a.G=a.E;c=0;if(233==a.o.d||237==a.o.d||236==a.o.d||239==a.o.d||251==a.o.d||252==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.q=!1,a.E=a.u-1,W(a,0),a.E=a.u-2,W(a,0),237==a.o.d&&(a.c[a.u]=10,a.c[a.u-1]=10,a.c[a.u-2]=10),236==a.o.d&&(a.c[a.u]=9,a.c[a.u-1]=9,a.c[a.u-2]=9),239==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-2]=5,a.c[a.u-3]=8,a.t[a.v]=2,a.t[a.v-1]=2),252==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-2]=4,a.c[a.u-3]=8,a.t[a.v]=2,a.t[a.v-1]=2),251==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-
414
+ 2]=5,a.c[a.u-3]=7,a.t[a.v]=2),c=4;else if(244==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.c[a.u]=8,a.E=a.u,a.q=!0,W(a,0),a.q=!1,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-2,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=5;else if(234==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,a.o.zb&&xG(a,a.E,1),W(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.o.zb?(a.t[a.v]=1,xG(a,a.u,-1)):a.t[a.v]=2,c=3;else if(235==a.o.d)W(a,0),a.E=a.u,W(a,0),a.c[a.u]=5,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(240==a.o.d)W(a,0),a.E=
415
+ a.u,W(a,0),a.c[a.u]=5,a.E=a.u,W(a,0),a.E=a.u-2,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=4;else if(260==a.o.d)W(a,0),a.E=a.u,W(a,0),a.c[a.u]=4,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(261==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(241==a.o.d)W(a,0),a.c[a.u]=5,a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.E=a.u-1,W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=4;else if(243==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.E=a.u-1,W(a,0),c=3;else if(238==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.t[a.v]=
416
+ 3,a.q=!1,c=2;else if(249==a.o.d)W(a,0),a.E=a.u,W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=2;else if(250==a.o.d)W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=1;else if(245==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.E=a.u,a.t[a.v]=3,W(a,0),a.q=!1,c=3;else if(242==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.t[a.v]=3,a.c[a.u]=4,a.q=!1,c=2;else if(254==a.o.d)W(a,0),a.c[a.u]=9,c=1;else if(255==a.o.d)W(a,0),a.c[a.u]=10,c=1;else if(256==a.o.d)W(a,0),a.c[a.u]=11,c=1;else if(257==a.o.d)W(a,0),a.c[a.u]=12,c=1;else if(258==a.o.d)W(a,0),a.c[a.u]=4,
417
+ c=1;else if(259==a.o.d)W(a,0),a.c[a.u]=5,c=1;else if(246==a.o.d)W(a,0),a.E=a.u,W(a,0),c=2;else if(247==a.o.d)W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),c=3;else if(248==a.o.d)W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),c=4;else if(253==a.o.d){var d,e,f,g,j,h,n,o,r,q,t;if(a.o.Qb){c=0;o=a.o.Qb;for(n=1;n<=o.z;++n)d=o.r[n][0],1==o.r[n][1]&&(c=d);d=a.u;n=a.E;W(a,0);e=a.K[a.u];g=a.N[a.u];mG(a,a.u);e=a.K[n]-e;g=a.N[n]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=o.u;++h)CG(a),a.c[a.u]=o.c[h],a.B[a.u]=o.B[h],
418
+ a.y[a.u]=o.y[h],a.K[a.u]=o.K[h],a.N[a.u]=o.N[h];for(h=1;h<=o.v;++h)JG(a),a.I[a.v]=o.I[h]+d,a.J[a.v]=o.J[h]+d,a.t[a.v]=o.t[h];lG(a);a.E=c+d;W(a,0);o=a.K[a.u];q=a.N[a.u];mG(a,a.u);f=a.K[c+d]-o;j=a.N[c+d]-q;h=Math.sqrt(f*f+j*j);j/=h;f/=h;for(h=d+1;h<=a.u;++h)a.K[h]-=o,a.N[h]-=q,r=a.K[h]*f+a.N[h]*j,t=a.N[h]*f-a.K[h]*j,a.K[h]=r,a.N[h]=t,r=-a.K[h]*e+a.N[h]*g,t=-a.N[h]*e-a.K[h]*g,a.K[h]=r,a.N[h]=t,a.K[h]+=a.K[n],a.N[h]+=a.N[n];JG(a);a.I[a.v]=n;a.J[a.v]=c+d;lG(a);b&&(mG(a,n),nF(a))}c=4}ZI(a,c);a.E=a.G;b&&
419
+ (a.E=0)}
420
+ function YI(a,b,c,d){var e,f,g,j,h;e=a.H[b][1];f=a.H[b][2];g=a.K[f]-a.K[e];j=-(a.N[f]-a.N[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j?0-((a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j):(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j)?(g=a.K[b]-a.K[e],j=a.N[b]-a.N[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.K[e]+h*g-c*j,d[1]=a.N[e]+c*g+h*j):(g=(a.K[e]+a.K[f])/2,e=(a.N[e]+a.N[f])/2,g=a.K[b]-g,j=a.N[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.K[b]+
421
+ c*g/h,d[1]=a.N[b]+c*j/h)}
422
+ function yG(a){var b,c,d,e,f,g,j,h,n,o,r,q,t;n=-1;j=6;switch(a.o.d){case 206:j=3;break;case 207:j=4;break;case 208:case 221:case 223:j=5;break;case 210:case 209:j=6;break;case 211:j=7;break;case 212:j=8;break;case 229:j=9}f=6.283185307179586/j;h=625*a.o.C*a.o.C/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.E)if(2>a.A[a.E])$I(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,W(a,0),a.E=a.u,$I(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){rs(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
423
+ return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[XI(a,a.E,a.H[a.E][d])],2<d||1!=b){rs(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(lF,s,-1,2,1);YI(a,a.E,h,b);e=a.K[a.E]-b[0];g=a.N[a.E]-b[1];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;for(d=1;d<=j;++d)CG(a),r=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*g)}else if(0<a.F){b=a.I[a.F];c=a.J[a.F];d=0;2==a.A[b]?a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]:2==a.A[c]&&(a.H[c][1]!=
424
+ b?d=a.H[c][1]:d=a.H[c][2],o=b,b=c,c=o);0==d&&(a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]);e=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;r=o/2;t=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.N[d]-a.N[b])*e-(a.K[d]-a.K[b])*g&&(t=-t,o=0);q=a.K[b]+r*e-t*g;t=a.N[b]+t*e+r*g;for(d=1;d<=j;++d)CG(a),r=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=t+h*(Math.cos(r)*e+Math.sin(r)*g),1==o?(d==j&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j-1&&(a.K[a.u]=
425
+ a.K[c],a.N[a.u]=a.N[c])):(d==j-1&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j&&(a.K[a.u]=a.K[c],a.N[a.u]=a.N[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)CG(a),r=f*(d-b),a.K[a.u]=a.M+h*Math.sin(r),a.N[a.u]=a.P+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)JG(a),a.t[a.v]=1,h=a.u-b+f,a.A[h]=2,a.I[a.v]=h,a.J[a.v]=h+1;a.J[a.v]=a.u-b+1;if(209==a.o.d){if(a.t[a.v-4]=2,a.t[a.v-2]=2,a.t[a.v]=2,0<a.F)if(1==a.t[a.F]){if(b=0,1<a.A[a.I[a.F]]&&(b=a.H[a.I[a.F]][1],h=a.I[a.F],b==a.J[a.F]&&(b=a.H[a.I[a.F]][2])),0==b&&1<a.A[a.J[a.F]]&&
426
+ (b=a.H[a.J[a.F]][1],h=a.J[a.F],b==a.J[a.F]&&(b=a.H[a.J[a.F]][2])),0<b)for(f=1;f<=a.v;++f)if(a.I[f]==b&&a.J[f]==h||a.I[f]==h&&a.J[f]==b){1!=a.t[f]&&(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=3);break}}else a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=2}else if(221==a.o.d||223==a.o.d)if(0<a.F){if(1==a.t[a.F]){b=!1;for(f=1;f<=a.A[a.I[a.F]];++f)if(h=a.H[a.I[a.F]][f],1<a.t[XI(a,a.I[a.F],h)]){b=!0;break}for(f=1;f<=a.A[a.J[a.F]];++f)if(h=a.H[a.J[a.F]][f],
427
+ 1<a.t[XI(a,a.J[a.F],h)]){b=!0;break}b||(a.t[a.F]=2)}a.t[a.v-4]=2;a.c[a.u-2]=5}else 0<a.E?221==a.o.d?(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v-1]=1,a.t[a.v-3]=2,a.t[a.v]=2,a.c[a.u-1]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5);h=y(M,m,-1,a.u+1,1);for(f=1;f<=j;++f)b=a.u-j+f,c=a.v-j+f,a.H[b][1]=b-1,a.H[b][2]=b+1,b=a.I[c],e=a.J[c],a.L[c]=O(N(JF((a.K[b]+a.K[e])/2))),a.O[c]=O(N(JF((a.N[b]+a.N[e])/
428
+ 2)));a.H[a.u-j+1][1]=a.u;a.H[a.u][2]=a.u-j+1;for(f=a.u-j+1;f<=a.u;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.u-j;++b)e=a.K[f]-a.K[b],d=a.N[f]-a.N[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.E||c==a.E)&&(h[f]=c)}g=a.v-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.I[f],e=a.J[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.I[c]==h[b]&&a.J[c]==h[e]||a.J[c]==h[b]&&a.I[c]==h[e])continue a;JG(a);a.t[a.v]=a.t[f];a.I[a.v]=h[b];a.H[h[b]][++a.A[h[b]]]=h[e];a.J[a.v]=h[e];a.H[h[e]][++a.A[h[e]]]=h[b];a.L[a.v]=O(N(JF((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
429
+ 2)));a.O[a.v]=O(N(JF((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(JG(a),a.t[a.v]=a.t[f],a.I[a.v]=h[b],a.H[h[b]][++a.A[h[b]]]=e,a.J[a.v]=e,a.H[e][++a.A[e]]=h[b],a.L[a.v]=O(N(JF((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(JF((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(JG(a),a.t[a.v]=a.t[f],a.I[a.v]=h[e],a.H[h[e]][++a.A[h[e]]]=b,a.J[a.v]=b,a.H[b][++a.A[b]]=h[e],a.L[a.v]=O(N(JF((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(JF((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2))));d=a.u-j;for(f=a.u;f>d;--f)if(0<
430
+ h[f]&&(mG(a,f),3==a.c[h[f]])){o=0;for(b=1;b<=a.A[h[f]];++b){e=a.H[h[f]][b];for(c=1;c<=a.v;++c)(a.I[c]==h[f]&&a.J[c]==e||a.I[c]==e&&a.J[c]==h[f])&&(o+=a.t[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.t[c]=1}0<a.E&&ZI(a,j);-1<n&&(a.E=n)}
431
+ function $I(a,b,c,d){var e,f,g,j,h,n;0==a.A[a.E]?(e=0,f=1):(e=a.H[a.E][1],f=a.K[a.E]-a.K[e],e=a.N[a.E]-a.N[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.K[a.E]+d*f;n=a.N[a.E]+d*e;for(g=1;g<=b;++g)CG(a),j=c*g-1.5707963267948966,a.K[a.u]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.N[a.u]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function ZI(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=FG(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
432
+ function XI(a,b,c){var d;for(d=1;d<=a.v;++d)if(a.I[d]==b&&a.J[d]==c||a.I[d]==c&&a.J[d]==b)return d;return 0}function aJ(a,b,c){var d,e,f,g;e=th;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(Uu(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)Uu(c[d])&&!Iu(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)Ou(c[d],e)&&(b[d]=g,c[d]=th,++f);if(f==a.u)break}return g==a.u}
433
+ function nF(a){var b,c,d;b=y(lF,s,-1,4,1);d=c=0;a.o&&a.o.D&&0<a.o.D.c&&(c=a.o.D.c-a.o.Z,d=a.o.D.b-3*a.o.Z);if(0>=c||0>=d)a.x=!0;else{mF(a,b);c=~~(c/2)-O(N(Math.round(b[0])));d=~~(d/2)-O(N(Math.round(b[1])));if(!a.o.rb)for(b=1;b<=a.u;++b)a.K[b]+=c,a.N[b]+=d;oF(a)}}
434
+ function mF(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.u;++c)a.K[c]<f&&(f=a.K[c]),a.K[c]>d&&(d=a.K[c]),a.N[c]<g&&(g=a.N[c]),a.N[c]>e&&(e=a.N[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
435
+ function xG(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=bJ(a,b),-1==d&&0==c&&(0==a.B[b]?a.B[b]=1:1==a.B[b]?a.B[b]=-1:-1==a.B[b]&&(a.B[b]=0)),a.c[b]){case 2:2<d&&rs(a.o,"Charge change not possible on this boron !");0==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0);break;case 3:3<d?rs(a.o,"Charge change not possible on this carbon !"):4>d&&(0==a.B[b]?a.B[b]=-1:-1==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0));break;case 4:case 7:3<d?rs(a.o,"Charge change not possible on multibonded N or P !"):
436
+ 3==d&&0==a.B[b]?a.B[b]=1:3==d&&1==a.B[b]?a.B[b]=0:3>d&&0==a.B[b]?a.B[b]=1:3>d&&1==a.B[b]?a.B[b]=-1:3>d&&-1==a.B[b]&&(a.B[b]=0);break;case 5:case 8:case 13:2<d?rs(a.o,"Charge change not possible on multibonded O or S !"):2==d&&0==a.B[b]?a.B[b]=1:2==d&&1==a.B[b]?a.B[b]=0:2>d&&0==a.B[b]?a.B[b]=-1:2>d&&-1==a.B[b]?a.B[b]=1:2>d&&1==a.B[b]&&(a.B[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.B[b]?a.B[b]=-1:0==d&&-1==a.B[b]?a.B[b]=0:rs(a.o,"Charge change not possible on the halogen !");break;case 18:rs(a.o,
437
+ "Use X button to change charge on the X atom !")}}
438
+ function ZF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(M,m,-1,a.u+1,1);;){for(e=1;e<=a.u;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=y(M,m,-1,f+1,1);for(c=1;c<=a.u;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.u;1<=c;--c)a.b[c]!=d&&mG(a,c);nF(a);rs(a.o,"Smaller part(s) removed !");return 1}
439
+ function FG(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.u;++e)b!=e&&(c=a.K[b]-a.K[e],d=a.N[b]-a.N[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
440
+ function KG(a){var b,c,d;for(d=1;d<=a.v;++d){b=a.I[d];c=a.J[d];if(1==a.B[b]&&-1==a.B[c]||-1==a.B[b]&&1==a.B[c])if(1==a.t[d]||2==a.t[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.o.zb)continue;if(1==a.c[b]||1==a.c[c])continue;if(2==a.c[b]||2==a.c[c])continue;if(9==a.c[b]||10==a.c[b]||11==a.c[b]||12==a.c[b]||9==a.c[c]||10==a.c[c]||11==a.c[c]||12==a.c[c])continue;a.B[b]=0;a.B[c]=0;++a.t[d];oG(a)}1==a.B[b]&&1==a.B[c]&&(2==a.t[d]?a.t[d]=1:3==a.t[d]&&(a.t[d]=2),oG(a));4==a.t[d]&&(a.t[d]=1)}}
441
+ function WI(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function lG(a){var b;cJ(a);b=a.t.length;a.L=y(M,m,-1,b,1);a.O=y(M,m,-1,b,1);oF(a);oG(a)}
442
+ function CG(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(M,m,-1,c,1),qI(a.c,b,a.c.length),a.c=b,b=y(M,m,-1,c,1),qI(a.B,b,a.B.length),a.B=b,b=y(M,m,-1,c,1),qI(a.y,b,a.y.length),a.y=b,b=y(M,m,-1,c,1),qI(a.e,b,a.e.length),a.e=b,b=y(ou,s,1,c,0),qI(a.d,b,a.d.length),a.d=b,b=y(ou,s,1,c,0),qI(a.p,b,a.p.length),a.p=b,b=y(lF,s,-1,c,1),qI(a.K,b,a.K.length),a.K=b,b=y(lF,s,-1,c,1),qI(a.N,b,a.N.length),a.N=b,b=cu([c,7]),qI(a.H,b,a.H.length),a.H=b,c=y(M,m,-1,c,1),qI(a.A,c,a.A.length),a.A=c);a.c[a.u]=
443
+ 3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function PF(a,b,c,d,e,f,g){var j;j=O(N(JF(a.K[c]-d/2)));g||(j-=e-d);a=O(N(JF(a.N[c]-~~(f/2))));return new TA(j-1-b,a-b,e+1+2*b,f+2*b)}
444
+ function JG(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(M,m,-1,b,1),qI(a.I,c,a.I.length),a.I=c,c=y(M,m,-1,b,1),qI(a.J,c,a.J.length),a.J=c,c=y(M,m,-1,b,1),qI(a.t,c,a.t.length),a.t=c,c=y(M,m,-1,b,1),qI(a.C,c,a.C.length),a.C=c,c=y(M,m,-1,b,1),qI(a.L,c,a.L.length),a.L=c,c=y(M,m,-1,b,1),qI(a.O,c,a.O.length),a.O=c,b=y(ou,s,1,b,0),qI(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
445
+ function sG(a,b){var c,d,e,f,g,j,h;if(0==a.u)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(LE(),aa);j+="JME 2013-10-12 "+new EI+"\n \n";j+=rG(a.u,3)+rG(a.v,3);j+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.u;++e)a.N[e]>g&&(g=a.N[e]),a.K[e]<c&&(c=a.K[e]);for(e=1;e<=a.u;++e){j+=PG(0.055999999999999994*(a.K[e]-c),10,4)+PG(0.055999999999999994*(g-a.N[e]),10,4)+PG(0,10,4);h=OF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
446
+ j+=ba+h;d=0;0<a.B[e]&&4>a.B[e]?d=4-a.B[e]:0>a.B[e]&&-4<a.B[e]&&(d=4-a.B[e]);h=" 0"+rG(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.z;++d)if(a.r[d][0]==e){f=a.r[d][1];break}-1<f?h+=rG(f,3):h+=" 0";j+=h+" 0 0\n"}for(e=1;e<=a.v;++e)g=a.t[e],1==a.t[e]?g=1:dJ(a,e)&&(g=2),c=rG(a.I[e],3)+rG(a.J[e],3),d=0,1==a.t[e]&&1==a.C[e]?d=1:1==a.t[e]&&2==a.C[e]&&(d=6),1==a.t[e]&&3==a.C[e]&&(d=1,c=rG(a.J[e],3)+rG(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=rG(a.J[e],3)+rG(a.I[e],3)),j+=c+rG(g,3)+rG(d,3)+" 0 0 0\n";
447
+ for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M CHG 1"+rG(e,4)+rG(a.B[e],4)+aa);return j+"M END\n"}
448
+ function RG(a){var b,c,d,e,f,g,j,h,n,o,r,q,t,v,D,E,J,R,ub,Z,L,fa,Mc,ug,yb,Xd,Yd,Zd,Za,Nc;r=y(M,m,-1,a.u+10,1);q=y(M,m,-1,a.u+10,1);n=y(M,m,-1,a.u+1,1);o=y(M,m,-1,7,1);yb=y(M,m,-1,a.u+1,1);v=y(eJ,s,-1,a.u+1,2);D=y(eJ,s,-1,a.v+1,2);fa=0;if(0==a.u)return l;ZF(a,!0);ug=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){ug=!1;break}if(a.o.t&&ug){fJ(a);KG(a);gJ(a,D);hJ(a,v,D);var Kb,Ed,sf,fc,Le,Fd,Gd,jb,iK,ee,w,ya,tn,un,Ct,yf,Qa,vn,wn,Qc,xn;Kb=y(M,m,-1,a.u+1,1);Ed=y(M,m,-1,a.u+1,1);jb=y(iJ,s,-1,a.u+1,3);var Dt=a.u,yn,
449
+ Lh,Et,Gg,Zj,Se,zf;Zj=y(iJ,s,-1,Dt+2,3);Se=y(M,m,-1,100,1);zf=5;Gg=0;Se[0]=3;Zj[1]=vh;Zj[2]=wh;Et=2;if(!(3>Dt))for(;zf<Se[Gg]*Se[Gg];){Lh=0;for(yn=!0;yn&&Lh<=Gg&&zf>=Se[Lh]*Se[Lh];)0==zf%Se[Lh]?yn=!1:++Lh;if(yn){Zj[++Et]=Ru(zf);if(Et>=Dt)break;Gg<Se.length-1&&(++Gg,Se[Gg]=zf)}zf+=2}for(w=1;w<=a.u;++w){for(ya=wn=1;ya<=a.v;++ya)(a.I[ya]==w||a.J[ya]==w)&&(wn*=a.i[ya]);vn=a.c[w];18==vn&&(xn=a.p[w],Fd=xn.charCodeAt(0)-65+1,Gd=0,1<xn.length&&(Gd=xn.charCodeAt(1)-97),0>Fd&&(Fd=0),0>Gd&&(Gd=0),vn=28*Fd+Gd);
450
+ yf=0;-2>a.B[w]?yf=1:-2==a.B[w]?yf=2:-1==a.B[w]?yf=3:1==a.B[w]?yf=4:2==a.B[w]?yf=5:2<a.B[w]&&(yf=6);Qc=1;jb[w]=Ru(wn);Qc*=126;jb[w]=Mu(jb[w],Ru(a.y[w]*Qc));Qc*=7;jb[w]=Mu(jb[w],Ru(yf*Qc));Qc*=7;jb[w]=Mu(jb[w],Ru(vn*Qc));Qc*=783;jb[w]=Mu(jb[w],Ru(a.A[w]*Qc))}for(Le=0;!aJ(a,Kb,jb);){Ct=!1;for(w=1;w<=a.u;++w)Kb[w]!=Ed[w]&&(Ed[w]=Kb[w],Ct=!0);if(Ct){for(w=1;w<=a.u;++w){jb[w]=uh;for(ya=1;ya<=a.A[w];++ya)jb[w]=Vu(jb[w],Zj[Kb[a.H[w][ya]]])}Le=0}else if(0<Le){for(w=1;w<=a.u;++w)jb[w]=uh;w=1;a:for(;w<=a.u-
451
+ 1;++w)for(ya=w+1;ya<=a.u;++ya)if(Kb[w]==Kb[ya]){jb[w]=vh;break a}}else{for(w=1;w<=a.u;++w){jb[w]=uh;for(ya=1;ya<=a.A[w];++ya)sf=a.H[w][ya],jb[w]=Vu(jb[w],Ru(a.c[sf]*a.i[XI(a,w,sf)]))}Le=1}aJ(a,Kb,jb);for(w=1;w<=a.u;++w)jb[w]=Ru(Ed[w]*a.u+Kb[w])}for(w=1;w<=a.u;++w)Ed[w]=Kb[w];for(Qa=1;Qa<=a.u;++Qa)for(w=1;w<=a.u;++w)if(Ed[w]==Qa){a.c[0]=a.c[w];a.B[0]=a.B[w];a.K[0]=a.K[w];a.N[0]=a.N[w];a.A[0]=a.A[w];a.c[w]=a.c[Qa];a.B[w]=a.B[Qa];a.K[w]=a.K[Qa];a.N[w]=a.N[Qa];a.A[w]=a.A[Qa];a.c[Qa]=a.c[0];a.B[Qa]=a.B[0];
452
+ a.K[Qa]=a.K[0];a.N[Qa]=a.N[0];a.A[Qa]=a.A[0];Ed[w]=Ed[Qa];Ed[Qa]=Qa;a.p[0]=a.p[w];a.p[w]=a.p[Qa];a.p[Qa]=a.p[0];a.e[0]=a.e[w];a.e[w]=a.e[Qa];a.e[Qa]=a.e[0];a.d[0]=a.d[w];a.d[w]=a.d[Qa];a.d[Qa]=a.d[0];a.y[0]=a.y[w];a.y[w]=a.y[Qa];a.y[Qa]=a.y[0];break}for(w=1;w<=a.z;++w)a.r[w][0]=Kb[a.r[w][0]];for(w=1;w<=a.v;++w)a.I[w]=Kb[a.I[w]],a.J[w]=Kb[a.J[w]],a.I[w]>a.J[w]&&(ee=a.I[w],a.I[w]=a.J[w],a.J[w]=ee,1==a.C[w]?a.C[w]=3:2==a.C[w]?a.C[w]=4:3==a.C[w]?a.C[w]=1:4==a.C[w]&&(a.C[w]=2));for(w=1;w<a.v;++w){un=tn=
453
+ a.u;fc=0;for(ya=w;ya<=a.v;++ya)a.I[ya]<tn?(tn=a.I[ya],un=a.J[ya],fc=ya):a.I[ya]==tn&&a.J[ya]<un&&(un=a.J[ya],fc=ya);ee=a.I[w];a.I[w]=a.I[fc];a.I[fc]=ee;ee=a.J[w];a.J[w]=a.J[fc];a.J[fc]=ee;ee=a.t[w];a.t[w]=a.t[fc];a.t[fc]=ee;ee=a.C[w];a.C[w]=a.C[fc];a.C[fc]=ee;iK=a.f[w];a.f[w]=a.f[fc];a.f[fc]=iK}lG(a);oG(a);gJ(a,D);hJ(a,v,D)}else{gJ(a,D);a.i=y(M,m,-1,a.v+1,1);for(t=1;t<=a.v;++t)a.i[t]=a.t[t]}c=1;a.b=y(M,m,-1,a.u+1,1);Nc=1;a.b[1]=1;for(Z=0;;){L=0;for(t=1;t<=a.A[c];++t)if(g=a.H[c][t],0<a.b[g]){if(!(a.b[g]>
454
+ a.b[c])&&g!=yb[c]){Mc=!0;for(J=1;J<=fa;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Mc=!1;break}Mc&&(++fa,r[fa]=c,q[fa]=g)}}else o[++L]=g;if(0==L){if(Nc==a.u)break;c=n[Z--]}else if(1==L)yb[o[1]]=c,c=o[1],a.b[c]=++Nc;else{n[++Z]=c;e=0;for(t=1;t<=L;++t)if(h=XI(a,o[t],c),!D[h]){e=o[t];break}if(0==e)for(t=1;t<=L;++t)if(h=XI(a,o[t],c),2==a.i[h]||3==a.i[h]){e=o[t];break}0==e&&(e=o[1]);yb[e]=c;c=e;a.b[e]=++Nc}}yb=y(M,m,-1,a.u+1,1);b=y(M,m,-1,a.u+1,1);R=y(eJ,s,-1,a.u+1,2);Xd=y(eJ,s,-1,a.u+1,2);f=Nc=Z=0;for(t=
455
+ 1;t<=a.u;++t)if(1==a.b[t]){c=t;break}a:for(;;){0<f&&(yb[c]=f);b[++Nc]=c;for(a.b[c]=0;;){L=e=0;ub=a.u+1;t=1;b:for(;t<=a.A[c];++t){g=a.H[c][t];for(E=1;E<=fa;++E)if(r[E]==g&&q[E]==c||r[E]==c&&q[E]==g)continue b;0<a.b[g]&&(++L,a.b[g]<ub&&(e=g,ub=a.b[g]))}if(0==e){if(0==Z)break a;Xd[c]=!0;c=n[Z--]}else break}f=c;c=e;1<L&&(n[++Z]=f,R[e]=!0)}Yd=y(M,m,-1,a.v+1,1);Zd=y(M,m,-1,a.u+1,1);if(a.o.Pb){var kK=yb,vO=fa,Ft,lK,Mh,Te,Gt,Ht,Oa,$j,It;Mh=y(M,m,-1,a.u+1,1);for(Oa=1;Oa<=a.u;++Oa)Mh[b[Oa]]=Oa;Gt=y(eJ,s,-1,
456
+ a.v+1,2);for(Oa=1;Oa<=a.u;++Oa)Ft=b[Oa],lK=kK[Ft],Te=XI(a,Ft,lK),0!=Te&&(jJ(a,Te,Mh,Yd,D),Gt[Te]=!0);for(Oa=1;Oa<=a.v;++Oa)Gt[Oa]||jJ(a,Oa,Mh,Yd,D);Oa=1;a:for(;Oa<=a.u;++Oa)if(!(2>a.A[Oa]||4<a.A[Oa])){Ht=It=0;for($j=1;$j<=a.A[Oa];++$j){Te=XI(a,Oa,a.H[Oa][$j]);if(5==a.i[Te])continue a;1==a.t[Te]&&0!=kJ(a,Te,Oa)&&++It;2==a.t[Te]&&(Ht=a.H[Oa][$j])}if(0!=It)if(0<Ht){var ka=a,nK=Oa,Af=Mh,cd=Zd,vc=void 0,ak=void 0,Rc=void 0,Ue=void 0,Sc=void 0,zn=void 0,An=void 0,Bn=void 0,fe=void 0,dd=void 0,ed=void 0,
457
+ Jt=void 0,bk=void 0,ge=void 0,ck=void 0,Ve=void 0,dk=void 0,Kt=void 0,ek=void 0,We=void 0,oK=void 0,Bf=void 0,pK=void 0,Lt=void 0,fk=void 0,Cf=void 0,ed=1,ak=nK,vc=y(M,m,-1,ka.u+1,1);for(vc[1]=nK;;){Jt=!1;for(dd=1;dd<=ka.A[ak];++dd)if(Rc=ka.H[ak][dd],!(Rc==vc[1]||Rc==vc[ed-1]))if(Ue=XI(ka,ak,Rc),2==ka.t[Ue]&&5!=ka.i[Ue]){ak=vc[++ed]=Rc;Jt=!0;break}if(!Jt)break}if(!(0==ed%2||2>ka.A[vc[ed]]||3<ka.A[vc[ed]])){Cf=vc[1];Sc=vc[~~((ed+1)/2)];fe=vc[ed];Bf=We=Ve=ge=0;Lt=Kt=!1;for(dd=1;dd<=ka.A[Cf];++dd)Rc=
458
+ ka.H[Cf][dd],Ue=XI(ka,Cf,Rc),1!=ka.t[Ue]||5==ka.i[Ue]||(0==ge?ge=Rc:Ve=Rc);0<Af[Ve]&&Af[ge]>Af[Ve]&&(zn=ge,ge=Ve,Ve=zn);bk=ge;0==ge&&(bk=Ve,Kt=!0);for(dd=1;dd<=ka.A[fe];++dd)Rc=ka.H[fe][dd],Ue=XI(ka,fe,Rc),1!=ka.t[Ue]||5==ka.i[Ue]||(0==We?We=Rc:Bf=Rc);0<Af[Bf]&&Af[We]>Af[Bf]&&(zn=We,We=Bf,Bf=zn);ek=We;0==We&&(ek=Bf,Lt=!0);ck=kJ(ka,XI(ka,Cf,ge),Cf);dk=kJ(ka,XI(ka,Cf,Ve),Cf);oK=kJ(ka,XI(ka,fe,We),fe);pK=kJ(ka,XI(ka,fe,Bf),fe);1<(0>ck+dk?-(ck+dk):ck+dk)||0!=oK||0!=pK?rs(ka.o,"Bad stereoinfo on allene !"):
459
+ (An=ka.K[vc[ed-1]]-ka.K[fe],Bn=ka.N[vc[ed-1]]-ka.N[fe],fk=Math.sqrt(An*An+Bn*Bn),0.001>fk&&(fk=0.001),0<(ka.N[ek]-ka.N[vc[ed-1]])*(An/fk)-(ka.K[ek]-ka.K[vc[ed-1]])*(Bn/fk)?cd[Sc]=1:cd[Sc]=-1,Kt&&(cd[Sc]*=-1),Lt&&(cd[Sc]*=-1),bk==ge&&0>ck&&(cd[Sc]*=-1),bk==Ve&&0>dk&&(cd[Sc]*=-1),Af[bk]>Af[ek]&&(cd[Sc]*=-1))}}else b:{var wc=a,xc=Oa,wO=kK,xO=Mh,yO=r,zO=q,AO=vO,Cn=Zd,Dn=void 0,fd=void 0,Mt=void 0,Nh=void 0,Ca=void 0,Oh=void 0,Id=void 0,gk=void 0,he=void 0,Tb=void 0,ia=void 0,Mb=void 0,Xe=void 0,En=void 0,
460
+ gd=void 0,oa=void 0,Fn=void 0,Mb=y(M,m,-1,4,1),En=y(M,m,-1,4,1),Ph=wc,ie=xc,qK=xO,Nt=wO,rK=yO,sK=zO,BO=AO,Nb=Mb,hk=void 0,hd=void 0,Gn=void 0,Hn=void 0,Ot=void 0,ik=void 0,ik=-1;0<Nt[ie]&&(Nb[++ik]=Nt[ie]);for(hd=1;hd<=BO;++hd)rK[hd]==ie&&(Nb[++ik]=sK[hd]),sK[hd]==ie&&(Nb[++ik]=rK[hd]);for(hd=ik+1;hd<Ph.A[ie];++hd){Ot=Ph.u+1;Gn=1;c:for(;Gn<=Ph.A[ie];++Gn){hk=Ph.H[ie][Gn];for(Hn=0;Hn<hd;++Hn)if(hk==Nb[Hn])continue c;qK[hk]<Ot&&(Ot=qK[hk],Nb[hd]=hk)}}0==Nt[ie]&&0<Ph.y[ie]?(Nb[3]=Nb[2],Nb[2]=Nb[1],Nb[1]=
461
+ Nb[0],Nb[0]=-1):0<Ph.y[ie]&&(Nb[3]=Nb[2],Nb[2]=Nb[1],Nb[1]=-1);for(Ca=gk=Oh=Nh=Fn=Id=Tb=0;4>Ca;++Ca)0>=Mb[Ca]||(Dn=XI(wc,xc,Mb[Ca]),En[Ca]=kJ(wc,Dn,xc),0<En[Ca]?(++Tb,Fn=Mb[Ca],Oh=Mb[Ca]):0>En[Ca]?(++Id,Nh=Mb[Ca],Oh=Mb[Ca]):gk=Mb[Ca]);he=Tb+Id;oa=y(M,m,-1,4,1);gd=0;if(3==wc.A[xc]){if(1==Tb&&1==Id||3==he&&0<Tb&&0<Id){rs(wc.o,"Error in C3H stereospecification !");break b}Xe=Mb[0];1==he?Xe=Oh:2==he&&(Xe=gk);ia=VI(wc,xc,Xe,Mb);oa[0]=Oh;oa[1]=-1;oa[2]=ia[2];oa[3]=ia[1];0<Tb?gd=1:gd=-1}else if(4==wc.A[xc])if(1==
462
+ he)ia=VI(wc,xc,Oh,Mb),oa[0]=ia[0],oa[1]=ia[3],oa[2]=ia[2],oa[3]=ia[1],0<Tb?gd=1:gd=-1;else{Xe=Mb[0];1<gk&&(Xe=gk);1==Tb?Xe=Fn:1==Id&&(Xe=Nh);ia=VI(wc,xc,Xe,Mb);fd=y(M,m,-1,4,1);for(Ca=0;4>Ca;++Ca)Dn=XI(wc,xc,ia[Ca]),fd[Ca]=kJ(wc,Dn,xc);if(4==he){if(0==Tb||0==Id){rs(wc.o,"Error in C4 stereospecification !");break b}if(1==Tb||1==Id)oa[0]=ia[0],oa[1]=ia[3],oa[2]=ia[2],oa[3]=ia[1],gd=fd[0];else{for(Ca=0;4>Ca;++Ca)-1==fd[Ca]&&(fd[Ca]=0);he=2}}else if(3==he)if(3==Tb||3==Id)oa[0]=ia[0],oa[1]=ia[3],oa[2]=
463
+ ia[2],oa[3]=ia[1],0<Tb?gd=-1:gd=1;else{1==Tb?Tb=Mt=1:Id=Mt=-1;for(Ca=0;4>Ca;++Ca)fd[Ca]==Mt&&(fd[Ca]=0);he=2}if(2==he)if(1==Tb&&1==Id)ia[1]==Nh?(ia[1]=ia[2],ia[2]=ia[3]):ia[2]==Nh&&(ia[2]=ia[3]),oa[0]=Fn,oa[1]=Nh,oa[2]=ia[2],oa[3]=ia[1],gd=1;else{if(fd[0]==fd[1]||fd[1]==fd[2]){rs(wc.o,"Error in C4 stereospecification ! 2/0r");break b}0!=fd[0]?(oa[0]=ia[0],oa[1]=ia[2],oa[2]=ia[1],oa[3]=ia[3]):(oa[0]=ia[1],oa[1]=ia[3],oa[2]=ia[2],oa[3]=ia[0]);1<Tb?gd=1:gd=-1}}var $=oa,jk=Mb,qb=void 0;jk[0]==$[1]?(qb=
464
+ $[0],$[0]=$[1],$[1]=qb,qb=$[2],$[2]=$[3],$[3]=qb):jk[0]==$[2]?(qb=$[2],$[2]=$[0],$[0]=qb,qb=$[1],$[1]=$[3],$[3]=qb):jk[0]==$[3]&&(qb=$[3],$[3]=$[0],$[0]=qb,qb=$[1],$[1]=$[2],$[2]=qb);jk[1]==$[2]?(qb=$[1],$[1]=$[2],$[2]=qb,qb=$[2],$[2]=$[3],$[3]=qb):jk[1]==$[3]&&(qb=$[1],$[1]=$[3],$[3]=qb,qb=$[2],$[2]=$[3],$[3]=qb);oa[2]==Mb[2]?Cn[xc]=1:oa[2]==Mb[3]?Cn[xc]=-1:rs(wc.o,"Error in stereoprocessing ! - t30");Cn[xc]*=gd}}}Za=new pI;j=y(M,m,-1,a.u+1,1);for(t=1;t<=a.u;++t)j[b[t]]=t;for(t=1;t<=a.u;++t){c=b[t];
465
+ R[c]&&(Za.b.b+=ua);0<yb[t]&&lJ(a,c,yb[c],Za,Yd);var Qh=v[c],Ob=void 0,kk=void 0,Rh=void 0,V=void 0,V=Tc,Ob=!1;0!=a.B[c]&&(Ob=!0);0!=Zd[c]&&(Ob=!0);Rh=-1;for(kk=1;kk<=a.z;++kk)if(a.r[kk][0]==c){Rh=a.r[kk][1];break}-1<Rh&&(Ob=!0);a.o.Ob&&0<a.e[c]&&(Ob=!0,Rh=1);switch(a.c[c]){case 2:V=Cb;break;case 3:Qh?V="c":V=Fb;break;case 4:Qh?(V=Mf,0<a.y[c]&&(Ob=!0)):V=kc;break;case 5:Qh?V="o":V=rc;break;case 7:Qh?(V="p",0<a.y[c]&&(Ob=!0)):V=tc;break;case 8:Qh?V=zg:V=Hc;break;case 13:Qh?V=Cg:V=Jc;Ob=!0;break;case 6:V=
466
+ Kc;Ob=!0;break;case 9:V=Vb;break;case 10:V=Jb;break;case 11:V=Eb;break;case 12:V=bc;break;case 1:V=Zb;Ob=!0;break;case 19:V=uc;Ob=!0;break;case 20:V=yc;Ob=!0;break;case 21:V=zc;Ob=!0;break;case 22:V=Ac;Ob=!0;break;case 18:Ob=!0,V=a.p[c],(H(V,wa)||H(V,$c)||H(V,wb))&&(Ob=!1)}Ob&&(V=Uc+V,1==Zd[c]?V+=vb:-1==Zd[c]&&(V+="@@"),1==a.y[c]?V+=Zb:1<a.y[c]&&(V+=Zb+a.y[c]),0!=a.B[c]&&(0<a.B[c]?V+=xa:V+=Ba,1<Xj(a.B[c])&&(V+=Xj(a.B[c]))),-1<Rh&&(V+=mb+Rh),V+=Xc);Ln(Za.b,V);for(E=1;E<=fa;++E)if(r[E]==c||q[E]==c)d=
467
+ q[E],d==c&&(d=r[E]),j[c]<j[d]&&lJ(a,r[E],q[E],Za,Yd),9<E&&(Za.b.b+="%"),Kn(Za,l+(new S(E)).b);Xd[c]&&(Za.b.b+=va)}return Za.b.b}function QG(a){a=new $E(a);lG(a);return a}
468
+ function mG(a,b){var c,d,e,f;f=0;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],c!=b&&d!=b&&(++f,a.I[f]=c,c>b&&--a.I[f],a.J[f]=d,d>b&&--a.J[f],a.t[f]=a.t[e],a.C[f]=a.C[e],a.L[f]=a.L[e],a.O[f]=a.O[e],a.f[f]=a.f[e]);a.v=f;for(e=b;e<a.u;++e){a.c[e]=a.c[e+1];a.B[e]=a.B[e+1];a.K[e]=a.K[e+1];a.N[e]=a.N[e+1];a.y[e]=a.y[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.p[e]=a.p[e+1];for(f=1;f<=a.A[e];++f)a.H[e][f]=a.H[e+1][f]}--a.u;if(0==a.u)pF(a.o);else{for(e=1;e<=a.u;++e){d=0;for(f=1;f<=a.A[e];++f)c=a.H[e][f],
469
+ c==b?++a.y[e]:(c>b&&--c,a.H[e][++d]=c);a.A[e]=d}e=1;a:for(;e<=a.z;++e)if(a.r[e][0]==b){for(f=e;f<a.z;++f)a.r[f][0]=a.r[f+1][0],a.r[f][1]=a.r[f+1][1];--a.z;break a}for(e=1;e<=a.z;++e)a.r[e][0]>b&&--a.r[e][0]}}
470
+ function nG(a,b){var c,d,e,f;c=a.I[b];d=a.J[b];for(e=b;e<a.v;++e)a.I[e]=a.I[e+1],a.J[e]=a.J[e+1],a.t[e]=a.t[e+1],a.C[e]=a.C[e+1],a.L[e]=a.L[e+1],a.O[e]=a.O[e+1],a.f[e]=a.f[e+1];--a.v;f=0;for(e=1;e<=a.A[c];++e)a.H[c][e]!=d&&(a.H[c][++f]=a.H[c][e]);a.A[c]=f;f=0;for(e=1;e<=a.A[d];++e)a.H[d][e]!=c&&(a.H[d][++f]=a.H[d][e]);a.A[d]=f;c<d&&(f=c,c=d,d=f);0==a.A[c]&&mG(a,c);0==a.A[d]&&mG(a,d)}
471
+ function fJ(a){var b,c,d;if(!a.o.O){c=a.u;a:for(;1<=c;--c)if(d=a.H[c][1],1==a.c[c]&&1==a.A[c]&&0==a.B[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.z;++b)if(a.r[b][0]==c)continue a;b=XI(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&mG(a,c)}}}function cJ(a){var b;b=a.c.length;a.H=cu([b,7]);a.A=y(M,m,-1,b,1);for(b=1;b<=a.u;++b)a.A[b]=0;for(b=1;b<=a.v;++b)6>a.A[a.I[b]]&&(a.H[a.I[b]][++a.A[a.I[b]]]=a.J[b]),6>a.A[a.J[b]]&&(a.H[a.J[b]][++a.A[a.J[b]]]=a.I[b])}
472
+ function hJ(a,b,c){var d,e,f,g,j,h,n,o,r;a.i=y(M,m,-1,a.v+1,1);r=y(eJ,s,-1,a.u+1,2);for(h=1;h<=a.u;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[XI(a,h,a.H[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.A[h]+a.y[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:r[h]=!0;break;case 18:0==a.p[h].indexOf(wb)?r[h]=!1:r[h]=!0}}if(a.n){var q;d=y(eJ,s,-1,a.u+1,2);e=!1;for(h=1;h<=a.v;++h)f=a.I[h],g=a.J[h],d[f]=!0,d[g]=!0,(18==a.c[f]||18==a.c[g])&&(e=!0);if(e){h=1;a:for(;h<=a.v;++h)if(c[h]){f=
473
+ a.I[h];g=a.J[h];e=y(eJ,s,-1,a.u+1,2);for(n=1;n<=a.A[f];++n)j=a.H[f][n],j!=g&&d[j]&&(e[j]=!0);for(q=!1;;){for(n=1;n<=a.u;++n){q=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.A[n];++o){j=a.H[n][o];if(j==g){for(f=1;f<=a.u;++f)e[f]&&(5==a.c[f]&&(a.c[f]=18,a.p[f]="#8"),4==a.c[f]&&(a.c[f]=18,a.p[f]="#7"),8==a.c[f]&&(a.c[f]=18,a.p[f]="#16"));continue a}!e[j]&&d[j]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:dJ(a,j)?a.i[j]=2:3==a.t[j]&&(a.i[j]=3);j=1;a:for(;j<=a.v;++j)if(c[j]&&(f=a.I[j],
474
+ g=a.J[j],r[f]&&r[g])){d=y(eJ,s,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&r[h]&&h!=f)for(n=1;n<=a.A[h];++n){e=a.H[h][n];if(e==g){b[f]=!0;b[g]=!0;a.i[j]=5;continue a}!d[e]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function oF(a){var b,c,d;for(d=1;d<=a.v;++d)b=a.I[d],c=a.J[d],a.L[d]=O(N(JF((a.K[b]+a.K[c])/2))),a.O[d]=O(N(JF((a.N[b]+a.N[c])/2)))}function gJ(a,b){var c;for(c=1;c<=a.v;++c)QF(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
475
+ function OF(a,b){var c;c=(LE(),RE)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function dJ(a,b){return 2==a.t[b]?!0:!1}function QF(a,b,c){var d,e,f,g;g=1;a.b=y(M,m,-1,a.u+1,1);for(d=1;d<=a.u;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.A[b];++d)a.H[b][d]!=c&&(a.b[a.H[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.u;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.A[d];++e)0==a.b[a.H[d][e]]&&(a.b[a.H[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
476
+ function AG(a){var b,c;a.o.S=!0;if(a.o.Ob)a.k=-1,0==a.e[a.E]?a.e[a.E]=4:a.e[a.E]=0;else{for(b=1;b<=a.z;++b)if(a.E==a.r[b][0]){if(-1==a.o.z){for(;b<a.z;++b)a.r[b][0]=a.r[b+1][0],a.r[b][1]=a.r[b+1][1];--a.z}else c=a.o.z,a.o.r&&(a.o.hb||++a.s,c=a.s),a.r[b][1]=c;return}b=a.r.length;++a.z>b-1&&(b=cu([b+5,2]),qI(a.r,b,a.r.length),a.r=b);a.r[a.z][0]=a.E;c=a.o.z;a.o.r&&(a.o.hb||++a.s,c=a.s);a.r[a.z][1]=c}}function jG(a){var b;a.z=0;a.s=0;RG(a);for(b=1;b<=a.u;++b)a.E=b,AG(a);a.E=0}
477
+ function kG(a){var b,c;b=y(lF,s,-1,4,1);mF(a,b);c=a.o.D.c;a.o.A||(c-=a.o.Z);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function gF(a,b){var c,d,e,f,g,j,h,n;c=y(lF,s,-1,4,1);mF(a,c);d=c[0];e=c[1];j=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.u;++g)h=a.K[g]*f+a.N[g]*j,n=-a.K[g]*j+a.N[g]*f,a.K[g]=h,a.N[g]=n;mF(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
478
+ function NG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.v;++d)b=a.K[a.I[d]]-a.K[a.J[d]],c=a.N[a.I[d]]-a.N[a.J[d]],f+=Math.sqrt(b*b+c*c);0<a.v?(f/=a.v,e=25*a.o.C/f):1<a.u&&(e=75*a.o.C/Math.sqrt((a.K[1]-a.K[2])*(a.K[1]-a.K[2])+(a.N[1]-a.N[2])*(a.N[1]-a.N[2])));for(d=1;d<=a.u;++d)a.K[d]*=e,a.N[d]*=e}
479
+ function qG(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Uc)&&jI(c,Xc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.p[b]=c,a.y[b]=0;else{f=!1;-1<c.indexOf(za)&&(f=!0);-1<c.indexOf(ob)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(mb);e=c.indexOf(Zb);g=Wj(c.indexOf(xa),c.indexOf(Ba));if(-1<d){j=Gw(c,d+1);try{a.o.z=XD(j,10)}catch(h){if(h=cj(h),A(h,125))a.o.z=0;else throw h;}a.E=b;AG(a);c=c.substr(0,d-0);a.E=0}if(f)a.p[b]=c,a.c[b]=18,a.y[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
480
+ g-0));a.c[b]=H(d,Fb)?3:H(d,Cb)?2:H(d,kc)?4:H(d,rc)?5:H(d,tc)?7:H(d,Hc)?8:H(d,Vb)?9:H(d,Jb)?10:H(d,Eb)?11:H(d,bc)?12:H(d,Zb)?1:H(d,Jc)?13:H(d,Kc)?6:H(d,uc)?19:H(d,yc)?20:H(d,zc)?21:H(d,Ac)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=VH(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=VH(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=VH(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=VH(c,g++);for(;45==e;)--d,e=VH(c,g++)}a.B[b]=d}}}
481
+ function YF(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new sE(b);try{for(;b.k=lE(b,b.b),b.k<b.j;)d=WF(XD(oE(b),10)).b,c=e=WF(XD(oE(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=cj(f),A(f,125))In(f);else throw f;}}function lJ(a,b,c,d,e){b=XI(a,b,c);5!=a.i[b]&&dJ(a,b)?d.b.b+=rb:3==a.t[b]?d.b.b+=la:9==a.t[b]?(e=tb,a=a.f[b],null!=a&&(e=a),Ln(d.b,e)):1==e[b]?d.b.b+=Ya:-1==e[b]&&(d.b.b+=Wc)}
482
+ function BG(a,b){var c,d;if(1==a.t[b])if(c=a.I[b],d=a.J[b],2>a.A[c]&&2>a.A[d])a.C[b]=0,rs(a.o,"Stereomarking meaningless on this bond !");else switch(a.C[b]){case 0:a.A[d]<=a.A[c]?a.C[b]=1:a.C[b]=3;break;case 1:a.C[b]=2;break;case 2:2<a.A[d]?a.C[b]=3:a.C[b]=1;break;case 3:a.C[b]=4;break;case 4:2<a.A[c]?a.C[b]=1:a.C[b]=3}else 2==a.t[b]?10==a.C[b]?a.C[b]=0:a.C[b]=10:rs(a.o,"Stereomarking allowed only on single and double bonds!")}
483
+ function jJ(a,b,c,d,e){var f,g,j,h,n,o,r,q,t;if(!(2!=a.t[b]||5==a.i[b])&&(10==a.C[b]||a.o.q&&!e[b]))if(e=a.I[b],f=a.J[b],!(2>a.A[e]||2>a.A[f]||3<a.A[e]||3<a.A[f])){c[e]>c[f]&&(g=e,e=f,f=g);r=o=b=0;q=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=XI(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=XI(a,e,r),0!=d[h]?b=r:1==a.t[h]&&5!=a.i[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
484
+ r=j,j=g);h=XI(a,f,r);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=r);0==o&&(h=XI(a,f,j),1==a.t[h]&&5!=a.i[h]&&(o=j));if(!(0==b||0==o))if(h=a.K[f]-a.K[e],g=a.N[f]-a.N[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,r=(a.N[b]-a.N[e])*h-(a.K[b]-a.K[e])*g,t=(a.N[o]-a.N[e])*h-(a.K[o]-a.K[e])*g,2>(0>=r?0-r:r)||2>(0>=t?0-t:t))rs(a.o,"Not unique E/Z geometry !");else{j=XI(a,b,e);f=XI(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.A[b];++n)if(g=a.H[b][n],g!=e&&(h=XI(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==
485
+ d[f]&&(0<r&&0<t||0>r&&0>t?d[f]=-d[j]:d[f]=d[j],q&&(d[f]=-d[f]))}}}function bJ(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=XI(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(dJ(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function kJ(a,b,c){var d;d=a.C[b];return 1>d||4<d?0:1==d&&a.I[b]==c?1:2==d&&a.I[b]==c?-1:3==d&&a.J[b]==c?1:4==d&&a.J[b]==c?-1:0}
486
+ function oG(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=bJ(c,d);if(-1==e)c.y[d]=0;else{switch(c.c[d]){case 1:2==e?c.B[d]=1:c.B[d]=0;c.y[d]=0;break;case 2:3==e||5==e?(c.y[d]=0,c.B[d]=0):3>e?c.y[d]=3-e-c.B[d]:4==e?(c.B[d]=-1,c.y[d]=0):5<e&&(c.B[d]=e-5,c.y[d]=0);break;case 3:case 6:4>e?0<c.B[d]?c.y[d]=2-e+c.B[d]:0>c.B[d]?c.y[d]=2-e-c.B[d]:c.y[d]=4-e:(c.B[d]=e-4,c.y[d]=4-e+c.B[d]);break;case 4:case 7:3>e?c.y[d]=3-e+c.B[d]:3==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:(c.B[d]=
487
+ 4==e?1:6==e?-1:e-5,c.y[d]=0);break;case 5:2==e&&(0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0);2<e&&(c.B[d]=e-2);c.y[d]=2-e+c.B[d];break;case 8:case 13:2>e?c.y[d]=2-e+c.B[d]:2==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:3==e?2==c.A[d]?(c.B[d]=0,c.y[d]=1):(c.B[d]=1,c.y[d]=0):4==e?(c.B[d]=0,c.y[d]=0):5==e?(c.B[d]=0,c.y[d]=1):(c.B[d]=e-6,c.y[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.B[d]=e-1);c.y[d]=1-e+c.B[d];2<e&&(c.B[d]=0,c.y[d]=0);break;case 19:case 18:c.y[d]=
488
+ 0}0>c.y[d]&&(c.y[d]=0)}}}function qF(a){UI(this);this.o=a;this.z=this.v=this.u=0}
489
+ function XF(a,b){var c,d,e,f,g,j,h;qF.call(this,a);f=l;j=UF(b);if(null!=j){h=new rE(b,j,!0);for(e=1;4>=e;++e)f=VF(h,j);g=WF(XD(uo(f.substr(0,3)),10)).b;c=WF(XD(uo(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)CG(this),f=VF(h,j),this.K[e]=(new gI(dI(uo(f.substr(0,10))))).b,this.N[e]=-(new gI(dI(uo(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=uo(f.substr(31,d-31)),qG(this,e,d),62<=f.length&&(f=uo(f.substr(60,3)),0<f.length&&(f=WF(XD(f,10)).b,0<f&&(this.E=e,a.z=f,AG(this),this.E=0)));for(e=1;e<=c;++e)JG(this),
490
+ f=VF(h,j),this.I[e]=WF(XD(uo(f.substr(0,3)),10)).b,this.J[e]=WF(XD(uo(f.substr(3,3)),10)).b,g=WF(XD(uo(f.substr(6,3)),10)).b,1==g?this.t[e]=1:2==g?this.t[e]=2:3==g?this.t[e]=3:this.t[e]=9,d=0,11<f.length&&(d=WF(XD(uo(f.substr(9,3)),10)).b),1==g&&1==d&&(this.t[e]=1,this.C[e]=1),1==g&&6==d&&(this.t[e]=1,this.C[e]=2);cJ(this);NG(this);nF(this);for(lG(this);(h.k=lE(h,h.b),h.k<h.j)&&!(null==(f=oE(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new qE(f);oE(g);oE(g);j=WF(XD(oE(g),10)).b;
491
+ for(e=1;e<=j;++e)c=WF(XD(oE(g),10)).b,this.B[c]=WF(XD(oE(g),10)).b}if(0==f.indexOf("M APO")){g=new qE(f);oE(g);oE(g);j=WF(XD(oE(g),10)).b;for(e=1;e<=j;++e)c=WF(XD(oE(g),10)).b,f=WF(XD(oE(g),10)).b,this.E=c,W(this,0),qG(this,this.u,uc+f),this.E=0}}fJ(this);lG(this)}}
492
+ function UG(a,b){var c,d,e,f,g;qF.call(this,a);0==b.indexOf(da)&&(b=b.substr(1,b.length-1));jI(b,da)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new qE(b);d=WF(XD(oE(f),10)).b;e=WF(XD(oE(f),10)).b;for(c=1;c<=d;++c)g=oE(f),CG(this),qG(this,this.u,g),this.K[c]=(new gI(dI(oE(f)))).b,this.N[c]=-(new gI(dI(oE(f)))).b;for(c=1;c<=e;++c)if(JG(this),this.I[c]=WF(XD(oE(f),10)).b,this.J[c]=WF(XD(oE(f),10)).b,this.t[c]=WF(XD(oE(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
493
+ 1,this.C[c]=2;else if(-5==this.t[c])this.t[c]=2,this.C[c]=10;else if(11==this.t[c]||12==this.t[c]||13==this.t[c]||14==this.t[c])this.C[c]=this.t[c],this.t[c]=9;cJ(this);NG(this);nF(this)}catch(j){j=cj(j);if(A(j,125)){j.Ic();this.u=0;return}throw j;}fJ(this);lG(this)}}
494
+ function $F(a,b,c){var d,e,f;qF.call(this,a);f=y(M,m,-1,b.u+1,1);for(a=1;a<=b.u;++a)b.b[a]==c&&(CG(this),this.c[this.u]=b.c[a],this.K[this.u]=b.K[a],this.N[this.u]=b.N[a],this.B[this.u]=b.B[a],this.y[this.u]=b.y[a],this.e[this.u]=b.e[a],this.d[this.u]=b.d[a],this.p[this.u]=b.p[a],f[a]=this.u);for(a=1;a<=b.v;++a)if(d=b.I[a],e=b.J[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))JG(this),this.t[this.v]=b.t[a],this.C[this.v]=b.C[a],this.I[this.v]=f[d],this.J[this.v]=f[e],this.f[this.v]=b.f[a];for(a=
495
+ 1;a<=b.z;++a)d=b.r[a][0],d==c&&(++this.z,this.r[this.z][0]=f[d],this.r[this.z][1]=b.r[a][1]);this.k=b.k;lG(this);nF(this)}
496
+ function tG(a,b,c){var d,e,f,g,j;qF.call(this,a);for(a=1;a<=c;++a)this.u+=b[a].u,this.v+=b[a].v,this.z+=b[a].z;this.c=y(M,m,-1,this.u+1,1);this.B=y(M,m,-1,this.u+1,1);this.y=y(M,m,-1,this.u+1,1);this.e=y(M,m,-1,this.u+1,1);this.d=y(ou,s,1,this.u+1,0);this.K=y(lF,s,-1,this.u+1,1);this.N=y(lF,s,-1,this.u+1,1);this.p=y(ou,s,1,this.u+1,0);this.I=y(M,m,-1,this.v+1,1);this.J=y(M,m,-1,this.v+1,1);this.t=y(M,m,-1,this.v+1,1);this.f=y(ou,s,1,this.v+1,0);this.C=y(M,m,-1,this.v+1,1);this.r=cu([this.z+1,2]);
497
+ f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].u;++d)++e,this.c[e]=b[a].c[d],this.K[e]=b[a].K[d],this.N[e]=b[a].N[d],this.B[e]=b[a].B[d],this.y[e]=b[a].y[d],this.e[e]=b[a].e[d],this.d[e]=b[a].d[d],this.p[e]=b[a].p[d];for(d=1;d<=b[a].v;++d)++g,this.t[g]=b[a].t[d],this.C[g]=b[a].C[d],this.I[g]=b[a].I[d]+f,this.J[g]=b[a].J[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].z;++d)++j,this.r[j][0]=b[a].r[d][0]+f,this.r[j][1]=b[a].r[d][1];f=e}lG(this);nF(this)}
498
+ function $E(a){var b;UI(this);this.o=a.o;this.u=a.u;this.v=a.v;this.z=a.z;this.c=y(M,m,-1,this.u+1,1);qI(a.c,this.c,this.u+1);this.B=y(M,m,-1,this.u+1,1);qI(a.B,this.B,this.u+1);this.y=y(M,m,-1,this.u+1,1);qI(a.y,this.y,this.u+1);this.e=y(M,m,-1,this.u+1,1);qI(a.e,this.e,this.u+1);this.d=y(ou,s,1,this.u+1,0);qI(a.d,this.d,this.u+1);this.K=y(lF,s,-1,this.u+1,1);qI(a.K,this.K,this.u+1);this.N=y(lF,s,-1,this.u+1,1);qI(a.N,this.N,this.u+1);this.p=y(ou,s,1,this.u+1,0);qI(a.p,this.p,this.u+1);this.I=y(M,
499
+ m,-1,this.v+1,1);qI(a.I,this.I,this.v+1);this.J=y(M,m,-1,this.v+1,1);qI(a.J,this.J,this.v+1);this.t=y(M,m,-1,this.v+1,1);qI(a.t,this.t,this.v+1);this.f=y(ou,s,1,this.v+1,0);qI(a.f,this.f,this.v+1);this.C=y(M,m,-1,this.v+1,1);qI(a.C,this.C,this.v+1);this.r=cu([this.z+1,2]);for(b=1;b<=this.z;++b)this.r[b][0]=a.r[b][0],this.r[b][1]=a.r[b][1];this.k=a.k}
500
+ function PG(a,b,c){var d,e,f;if(0==c)return rG(lu(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=O(N(JF(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new gI(a)).b;d=vo(e,wo(46));0>d&&(e+=Xa,d=vo(e,wo(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=bb;if(0==b)return e;e.length>b&&(e=tb);c=l;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function UF(a){var b;b=new rE(a,aa,!0);if(4<kE(b))return aa;b=new rE(a,rh,!0);return 4<kE(b)?rh:null}
501
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