* Input_File: "/usr/local/tomcat/temp/inchi24946/input.mol" Structure: 1 InChI=1/C20H14N4.HI.Ni/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17;;/h1-14H;1H;/q-2;;+3/p-1/b20-17-;; AuxInfo=1/1/N:20,9,18,22,7,11,29,31,16,24,5,13,27,33,15,4,26,2,1,3,38,37,36,35;39;40/E:(3,4)(5,6)(9,10)(11,12);;/CRV:21-1,24-1;;/rA:40nCCCCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHNNNNINi/rB:s1;;s1;s4;s5;d5;s7;s7;s9;d9;s11;d4s11;s13;s2;d15;s16;s16;s18;d18;s20;s20;s22;s15d22;s24;d3;s26;s27;d27;s29;s29;s31;d31;s33;s3;d1s35;d2s3;s26s33;;s35s38s39;/rC:20.7837,4.6691,5.9083;20.9596,3.4649,6.6396;19.2301,4.159,7.9582;21.4965,5.0705,4.6775;21.7057,4.1728,3.6043;21.3886,3.279,3.6597;22.3556,4.5913,2.506;22.483,3.9876,1.7894;22.8486,5.9083,2.4037;23.3147,6.1924,1.6324;22.6432,6.761,3.4302;22.9738,7.6497,3.3718;21.9623,6.3667,4.5628;21.8159,6.988,5.2607;22.0117,2.4556,6.4599;21.7948,1.1637,6.9458;20.9512,.9413,7.3189;22.7765,.2183,6.8919;22.6063,-.6562,7.2189;24.0159,.5204,6.3663;24.6974,-.1406,6.3323;24.257,1.811,5.8843;25.1045,2.0196,5.5124;23.2862,2.7791,5.9417;23.4683,3.6591,5.6361;18.3357,3.9144,9.1224;18.3226,2.7296,9.8083;18.8759,2.0054,9.5424;17.4929,2.6126,10.8872;17.4637,1.8056,11.3835;16.6995,3.6904,11.2399;16.1222,3.6358,11.9864;16.7595,4.8585,10.4832;16.2109,5.595,10.7241;19.1104,5.3419,7.3372;19.856,5.559,6.2825;20.124,3.2214,7.6509;17.567,4.9736,9.4274;15.7392,5.4612,6.6063;17.7165,6.6254,8.1468;