* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/39/01/2008lsh052.mol" Structure: 1 InChI=1/C8H8BrNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11) AuxInfo=1/1/N:12,5,7,3,9,11,2,1,18,16,17/rA:19nCCCHCHCHCHCCHHHNOBrH/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s1s11;d11;s2;s16;/rC:2.3819,.7135,2.0413;1.8404,.23,3.2285;2.1853,-1.0126,3.7348;1.7793,-1.3357,4.5305;3.1278,-1.7793,3.0697;3.3793,-2.627,3.4171;3.7067,-1.3122,1.8953;4.3621,-1.8346,1.4479;3.3263,-.0809,1.3763;3.7099,.2256,.563;2.8033,2.8719,.9458;2.1445,4.1228,.43;2.1581,4.8107,1.1278;1.2167,3.9256,.1836;2.6299,4.4467,-.3574;1.9662,1.953,1.4987;4.0219,2.7217,.8945;.6079,1.2989,4.2057;1.1549,2.1047,1.5111;