# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 0.66500 -2.24100 0.07100 1.000 C1 C 0.48100 -1.03900 0.11400 1.000 C2 C 1.62900 -0.11600 0.07900 1.000 C3 C 3.05000 -0.48100 -0.00400 1.000 C4 C 3.76800 -1.67100 -0.07400 1.000 C5 C 5.13300 -1.63100 -0.14400 1.000 C6 C 5.80400 -0.41500 -0.14500 1.000 C7 C 5.11800 0.76500 -0.07800 1.000 C8 C 3.72800 0.75400 -0.00600 1.000 N9 N 2.75900 1.71900 0.07100 1.000 C10 C 3.02600 3.15900 0.09600 1.000 N11 N 1.58600 1.19900 0.11200 1.000 N12 N -0.77400 -0.55200 0.18600 1.000 C13 C -1.91100 -1.46500 0.21400 1.000 C14 C -2.66900 -1.46800 -1.10700 1.000 C15 C -3.62000 -0.27400 -1.22700 1.000 C16 C -2.81900 -1.20500 1.41000 1.000 C17 C -3.76200 -0.02400 1.16800 1.000 N18 N -4.49800 -0.25000 -0.06700 1.000 C19 C -5.72400 0.50700 -0.21900 1.000 C20 C -2.98700 1.28500 1.14000 1.000 C21 C -3.04000 1.97500 -0.21400 1.000 C22 C -2.83800 1.02100 -1.38000 1.000 H23 H -0.92000 0.40700 0.22000 1.000 H24 H 3.25000 -2.61900 -0.07300 1.000 H25 H 5.69300 -2.55300 -0.19800 1.000 H26 H 6.88200 -0.40200 -0.20000 1.000 H27 H 5.65200 1.70300 -0.07900 1.000 H28 H 3.03900 3.54500 -0.92300 1.000 H29 H 2.24500 3.66400 0.66500 1.000 H30 H 3.99200 3.34100 0.56600 1.000 H31 H -1.49000 -2.48800 0.34600 1.000 H32 H -1.95700 -1.43600 -1.93700 1.000 H33 H -3.25100 -2.39100 -1.19000 1.000 H34 H -3.41700 -2.09900 1.61300 1.000 H35 H -2.20800 -0.99400 2.29200 1.000 H36 H -4.23300 -0.42000 -2.12800 1.000 H37 H -1.77600 0.81000 -1.51700 1.000 H38 H -3.17700 1.52300 -2.30300 1.000 H39 H -4.47800 0.01300 2.00200 1.000 H40 H -3.42700 1.96200 1.89300 1.000 H41 H -1.95100 1.12000 1.44100 1.000 H42 H -6.31100 0.08700 -1.03600 1.000 H43 H -6.29900 0.45500 0.70600 1.000 H44 H -5.48400 1.54700 -0.44000 1.000 H45 H -3.98300 2.51700 -0.32600 1.000 H46 H -2.24100 2.73600 -0.24600 1.000