# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '900' 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 -1.33500 1.21000 -0.27500 1.000 C1 C -0.94200 2.45300 0.13400 1.000 C2 C 0.42600 2.73000 0.29600 1.000 C3 C 1.37600 1.71400 0.03100 1.000 C4 C 0.93900 0.45000 -0.38900 1.000 C5 C -0.39400 0.20900 -0.53000 1.000 C6 C 0.86500 3.99800 0.71600 1.000 C7 C 2.19700 4.24500 0.86700 1.000 C8 C 3.14400 3.26200 0.61100 1.000 C9 C 2.75600 1.99600 0.19600 1.000 O10 O -2.65800 0.94300 -0.43200 1.000 C11 C -3.23000 0.04700 0.41000 1.000 C12 C -4.56700 -0.37300 0.22700 1.000 C13 C -5.12100 -1.31000 1.13300 1.000 N14 N -4.37900 -1.78200 2.14200 1.000 C15 C -3.13700 -1.39800 2.32100 1.000 C16 C -2.52200 -0.48800 1.47100 1.000 C17 C -5.34700 0.12100 -0.82900 1.000 C18 C -6.63500 -0.30600 -0.97500 1.000 C19 C -7.18700 -1.23400 -0.07900 1.000 C20 C -6.44900 -1.73100 0.95600 1.000 O21 O -7.39200 0.17200 -1.99800 1.000 C22 C -6.77300 1.11500 -2.87600 1.000 O23 O -8.47100 -1.64400 -0.24500 1.000 C24 C -8.97700 -2.59100 0.69800 1.000 C25 C 3.76600 0.95700 -0.07400 1.000 N26 N 5.06500 1.19300 0.20000 1.000 C27 C 6.01200 0.17800 0.02500 1.000 C28 C 5.87500 -0.72900 -1.01800 1.000 C29 C 6.81200 -1.72900 -1.18900 1.000 C30 C 7.88600 -1.82800 -0.32200 1.000 C31 C 8.02500 -0.92600 0.71700 1.000 C32 C 7.09400 0.08000 0.89000 1.000 Cl33 Cl 9.06100 -3.08700 -0.53900 1.000 O34 O 3.42800 -0.11300 -0.54300 1.000 H35 H -1.67800 3.21800 0.33300 1.000 H36 H 1.65600 -0.33100 -0.59300 1.000 H37 H -0.72700 -0.76600 -0.85400 1.000 H38 H 0.14600 4.77700 0.92000 1.000 H39 H 2.52200 5.22300 1.19000 1.000 H40 H 4.19400 3.48400 0.73700 1.000 H41 H -2.57600 -1.80600 3.14900 1.000 H42 H -1.49800 -0.19100 1.64400 1.000 H43 H -4.93100 0.83700 -1.52300 1.000 H44 H -6.88600 -2.44600 1.63800 1.000 H45 H -7.48400 1.41600 -3.64600 1.000 H46 H -6.46200 1.99200 -2.30700 1.000 H47 H -5.90200 0.65800 -3.34500 1.000 H48 H -8.93300 -2.16400 1.70000 1.000 H49 H -10.01100 -2.83300 0.45200 1.000 H50 H -8.37300 -3.49700 0.66300 1.000 H51 H 5.34300 2.06600 0.51800 1.000 H52 H 5.03600 -0.65200 -1.69400 1.000 H53 H 6.70600 -2.43400 -2.00000 1.000 H54 H 8.86600 -1.00300 1.39000 1.000 H55 H 7.20300 0.78400 1.70100 1.000