* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/27/01/01SRC264.mol"
Structure: 1
InChI=1/C7H8N2O.C3H3F2I/c10-6-8-5-7-3-1-2-4-9-7;4-1-3(6)2-5/h1-4,6H,5H2,(H,8,10);1H,2H2/b;3-1-
AuxInfo=1/1/N:14,16,12,18,20,23,11,9,8,7;5,6,4,2,3,1/rA:23nIFFCCCONNHCCHCHCHCHCHHC/rB:;;s1;s2d4;s3s4;;;;s9;s8;d11;s12;s12;s14;d14;s16;d8s16;s18;s9s11;s20;s20;d7s9;/rC:4.9209,-.0782,4.4449;7.861,.6078,5.58;4.1734,-2.0608,6.8538;5.9738,-.7064,6.1448;7.2594,-.2586,6.4147;5.4249,-1.5886,7.0474;-.6307,.6109,3.6461;3.2597,.5051,2.14;.5006,2.569,3.4406;.4524,3.4413,3.3347;2.1282,1.2154,2.0977;1.3472,1.2816,.9573;.5424,1.7863,.9543;1.7526,.6044,-.1773;1.2386,.6433,-.9753;2.9038,-.119,-.1267;3.1984,-.6041,-.8886;3.6361,-.1422,1.0344;4.445,-.6401,1.052;1.7878,1.9085,3.3943;1.8198,1.2386,4.1225;2.4894,2.5818,3.5803;-.6307,1.8518,3.6461;