* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/89/01/2008lsh144.mol"
Structure: 1
InChI=1/C13H10Br2N2O/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8,16-17H/q-1
AuxInfo=1/0/N:5,20,7,22,3,18,9,24,2,17,1,16,11,15,28,12,26,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/CRV:18-1.2/rA:28nCCCHCHCHCHCNHO2-BrCCCHCHCHCHNHBr/rB:d1;s2;s3;d3;s5;s5;s7;s1d7;s9;;s1s11;s12;d11;s2;;d16;s17;s18;d18;s20;s20;s22;s16d22;s24;s11s16;s26;s17;/rC:1.001,3.547,3.734;2.182,2.986,3.253;2.605,1.732,3.691;3.381,1.332,3.317;1.891,1.075,4.672;2.193,.236,4.998;.733,1.642,5.18;.246,1.19,5.86;.281,2.857,4.709;-.526,3.225,5.051;0,5.789,3.94;.527,4.78,3.196;.58,4.896,2.325;0,5.789,5.176;3.258,3.921,2.007;-1.001,8.03,3.734;-2.182,8.591,3.253;-2.605,9.845,3.691;-3.381,10.246,3.317;-1.891,10.502,4.672;-2.193,11.341,4.998;-.733,9.935,5.18;-.246,10.387,5.86;-.281,8.721,4.709;.526,8.352,5.051;-.527,6.797,3.196;-.58,6.682,2.325;-3.258,7.657,2.007;