# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWW' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -0.99900 -2.24400 -0.23800 1.000 C1 C -2.17300 -2.67900 0.27500 1.000 Br2 Br -3.14400 -4.19600 -0.30100 1.000 C3 C -2.54200 -1.80800 1.30800 1.000 N4 N -1.62400 -0.88200 1.41400 1.000 N5 N -0.63600 -1.13000 0.45200 1.000 C6 C 0.51400 -0.36900 0.24000 1.000 C7 C 1.77200 -0.95400 0.28300 1.000 C8 C 2.89400 -0.16300 0.06700 1.000 N9 N 4.15700 -0.74100 0.10900 1.000 C10 C 5.25600 0.03300 0.01200 1.000 O11 O 5.14700 1.24300 -0.01800 1.000 N12 N 6.47700 -0.53500 -0.05200 1.000 C13 C 7.67200 0.30600 -0.15700 1.000 C14 C 8.91700 -0.58100 -0.21300 1.000 N15 N 2.77800 1.13600 -0.17900 1.000 C16 C 1.60700 1.73300 -0.22900 1.000 C17 C 0.42900 1.01200 -0.03000 1.000 C18 C -0.88100 1.68300 -0.09400 1.000 O19 O -1.90300 1.02900 -0.02400 1.000 N20 N -0.94500 3.02200 -0.23100 1.000 C21 C -2.18400 3.67000 -0.19200 1.000 C22 C -3.31800 3.06000 -0.72400 1.000 C23 C -4.52200 3.74200 -0.66200 1.000 C24 C -4.56000 4.99500 -0.07900 1.000 N25 N -3.46800 5.54500 0.41500 1.000 C26 C -2.30400 4.92900 0.38300 1.000 H27 H -0.44700 -2.70200 -1.04500 1.000 H28 H -3.43300 -1.88700 1.91300 1.000 H29 H 1.87800 -2.01000 0.48300 1.000 H30 H 4.24800 -1.70200 0.20700 1.000 H31 H 6.56400 -1.50100 -0.02800 1.000 H32 H 7.61400 0.90800 -1.06400 1.000 H33 H 7.73200 0.96200 0.71100 1.000 H34 H 9.80600 0.04500 -0.29100 1.000 H35 H 8.97500 -1.18300 0.69400 1.000 H36 H 8.85700 -1.23700 -1.08100 1.000 H37 H 1.55600 2.79300 -0.43300 1.000 H38 H -0.13300 3.53700 -0.35600 1.000 H39 H -3.25900 2.08000 -1.17400 1.000 H40 H -5.42100 3.29900 -1.06400 1.000 H41 H -5.49700 5.53000 -0.02800 1.000 H42 H -1.43300 5.41000 0.80300 1.000