* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/85/01/2008lsh086.mol" Structure: 1 InChI=1/C13H10Br2N2O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8,16-17H/q-1 AuxInfo=1/0/N:7,22,5,20,9,24,2,17,4,19,1,16,11,14,27,12,26,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/CRV:18-1.2/rA:28nCCHCCHCHCHCNO2-BrHCCHCCHCHCHNBrH/rB:d1;s2;s2;d4;s5;s5;s7;s1d7;s9;;s1s11;d11;s4;s12;;d16;s17;s17;d19;s20;s20;s22;s16d22;s24;s11s16;s19;s26;/rC:6.061,5.31,1.488;5.819,4.008,1.941;5.155,3.841,2.599;6.566,2.966,1.414;7.55,3.18,.451;8.05,2.455,.095;7.78,4.48,.026;8.452,4.646,-.625;7.048,5.543,.536;7.22,6.428,.235;4.768,7.376,1.323;5.304,6.361,2.058;4.768,7.376,.084;6.2,1.204,2.01;5.197,6.396,2.888;3.476,9.442,1.488;3.717,10.744,1.941;4.382,10.911,2.599;2.971,11.785,1.414;1.986,11.571,.451;1.486,12.296,.095;1.757,10.271,.026;1.085,10.105,-.625;2.489,9.208,.536;2.317,8.324,.235;4.232,8.391,2.058;3.337,13.548,2.01;4.34,8.356,2.888;