* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/87/01/2008lsh006.mol" Structure: 1 InChI=1/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5,10H,1H3/q-1 AuxInfo=1/0/N:12,4,7,2,9,11,6,1,19,16,18/E:(2,3)(4,5)/CRV:11-1.2/rA:19nCCHCHCCHCHCCHHHNHO2-Cl/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s16;d11;s6;/rC:7.173,8.055,1.791;8.4,7.667,2.325;9.205,7.893,1.876;8.448,6.944,3.521;9.285,6.683,3.89;7.272,6.613,4.161;6.042,6.991,3.647;5.24,6.76,4.099;6,7.712,2.458;5.16,7.974,2.096;7.873,9.314,-.22;7.36,10.041,-1.412;7.629,10.981,-1.362;6.382,9.982,-1.435;7.731,9.637,-2.225;6.939,8.776,.598;6.098,8.887,.363;9.085,9.205,-.007;7.328,5.689,5.639;