* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/29/01/01SRC265_2.mol" Structure: 1 InChI=1/C7H8N2O.2C3H3F2I/c10-6-8-5-7-3-1-2-4-9-7;2*4-1-3(6)2-5/h1-4,6H,5H2,(H,8,10);2*1H,2H2/b;2*3-1- AuxInfo=1/1/N:20,22,18,24,26,29,17,15,14,13;6,5,4,2,3,1;12,11,10,9,8,7/rA:29nIFFCCCIFFCCCONNHCCHCHCHCHCHHC/rB:;;s1;s3s4;s2d4;;;;s7;s8s10;s9d10;;;;s15;d14;s17;s18;d18;s20;s20;s22;s14d22;s24;s15s17;s26;s26;d13s15;/rC:12.6214,3.1497,3.1783;14.6245,5.1269,1.6743;10.6086,2.842,.7109;12.6127,3.9779,1.2605;11.5969,3.7014,.3825;13.5964,4.8368,.8628;7.6334,2.9238,3.2006;5.1188,1.6537,1.6884;8.4825,4.8363,.7304;6.8366,3.2323,1.2809;5.7143,2.5558,.8657;7.3909,4.1262,.3912;12.3016,2.2206,6.4682;8.3224,2.4952,5.9698;11.2108,.26,6.1029;11.1996,-.6128,6.215;9.1703,1.6148,6.5173;9.1757,1.329,7.8742;9.788,.7006,8.2383;8.2527,1.9932,8.6933;8.2288,1.8175,9.6266;7.3875,2.8948,8.1413;6.7521,3.3491,8.6819;7.4532,3.1312,6.7948;6.861,3.7723,6.4194;10.0563,.9046,5.5327;9.5169,.222,5.0604;10.3642,1.5602,4.8577;12.3016,.9471,6.4682;