* Input_File: "/usr/local/tomcat/temp/inchi24985/input.mol" Structure: 1 InChI=1/C18H18N6.6BrI.2BrH/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;6*1-2;;/h1-10,19-21H,11-12H2,(H,22,23,24);;;;;;;2*1H AuxInfo=1/1/N:25,7,16,27,9,18,23,5,14,29,11,20,22,4,13,3,1,2,38,34,36,31,33,32;40,41;42,43;45,46;48,49;50,51;52,53;44;47/E:(2,3)(5,6)(8,9)(11,12)(14,15)(17,18)(20,21)(22,23);;;;;;;;/rA:53nCCCCCHCHCHCHCCHCHCHCHCCHCHCHCHNNNNHNHNHBrIBrIBrBrIBrBrIBrIBrI/rB:;;s1;d4;s5;s5;s7;d7;s9;s9;s11;s2;d13;s14;s14;s16;d16;s18;s18;s20;d3;s22;s23;d23;s25;s25;s27;d27;s29;d1s3;s1d2;s2s3;s4s11;s34;s13s20;s36;s22s29;s38;;s40;;s42;;;s45;;;s48;;s50;;s52;/rC:7.3641,2.485,5.5019;7.3379,.6001,4.3606;6.3774,2.4733,3.5665;7.6978,3.1815,6.6876;8.2588,2.488,7.6951;8.4434,1.557,7.6557;8.54,3.2742,8.7987;8.9795,2.8755,9.5038;8.1754,4.6231,8.8517;8.3436,5.1299,9.5985;7.6074,5.18,7.8794;7.358,6.0956,7.9224;7.5643,-.86,4.2657;8.1518,-1.5877,5.1814;8.4896,-1.1574,5.9195;8.2686,-2.9603,5.057;8.6902,-3.4748,5.7015;7.7537,-3.5832,3.9617;7.8249,-4.5237,3.854;7.1597,-2.8251,3.0706;6.7948,-3.2324,2.3324;5.684,3.1722,2.5571;5.4177,2.5595,1.4114;5.6442,1.6492,1.2683;4.7845,3.3489,.4407;4.611,2.9789,-.3743;4.4265,4.676,.7166;4.0048,5.2092,.0859;4.6705,5.1751,1.8312;4.3925,6.0646,2.0066;6.6808,3.1796,4.6134;7.7489,1.2085,5.4002;6.6421,1.1737,3.3894;7.3642,4.4808,6.8062;6.975,4.8871,6.1631;7.0792,-1.4761,3.2226;6.7002,-.9923,2.6239;5.2939,4.4903,2.7365;5.4636,4.8822,3.4678;2.0226,1.6803,11.958;2.7125,-.8356,12.1409;5.1388,.1973,6.6583;2.7531,-.3922,7.6718;1.8464,2.8977,2.9355;3.8247,4.2256,7.5929;2.8953,3.6514,5.3657;-2.378,6.8241,5.0686;2.3267,7.9688,2.7378;.0488,7.3644,3.8924;6.2673,8.3615,1.231;4.948,9.3847,-.6866;2.9996,12.9455,.4786;5.4868,13.8481,0;