* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/24/01/2010src0793a.mol"
Structure: 1
InChI=1/C16H13NO/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)/b14-10+
AuxInfo=1/1/N:25,6,8,4,10,18,21,16,23,13,20,15,3,2,12,1,29,31/E:(6,7)(8,9)/rA:31nCCCCHCHCHCHCCHCCHCHCCHCHCHHHNHO/rB:s1;s2;s3;s4;d4;s6;s6;s8;d8;s10;d3s10;d2;s13;s13;d15;s16;s16;s18;d18;s20;s21;s15d21;s23;s20;s25;s25;s25;s1s12;s29;d1;/rC:8.7856,4.5807,1.8682;8.0454,4.4337,3.1619;7.5763,3.041,3.1876;6.9138,2.2429,4.1163;6.6129,2.6116,4.9386;6.6953,.9009,3.8295;6.2295,.3615,4.4564;7.1428,.3354,2.6505;6.9795,-.5841,2.4768;7.835,1.1074,1.7135;8.1596,.7258,.9062;8.0302,2.4401,2.0012;8.0394,5.4812,4.0024;8.5469,6.2246,3.6973;7.3982,5.6896,5.2986;6.1923,5.0954,5.6669;5.7503,4.5165,5.0575;5.6277,5.3382,6.9115;4.8106,4.9137,7.1435;6.2372,6.1928,7.8252;7.427,6.8113,7.442;7.8575,7.4077,8.0439;7.9918,6.5736,6.2023;8.7964,7.0178,5.962;5.6285,6.4641,9.1754;4.8689,5.8603,9.3176;5.3183,7.3932,9.2137;6.2999,6.3147,9.873;8.7168,3.3869,1.2288;9.0571,3.2278,.4332;9.3626,5.5858,1.4363;