# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CPD' 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 3.36800 -0.31400 5.28100 1.000 C1 C 2.12900 -0.80800 4.57900 1.000 C2 C 0.98700 -1.66300 2.60400 1.000 C3 C 1.38000 -2.67000 1.52200 1.000 C4 C 0.26000 -0.48000 1.96100 1.000 C5 C -0.12700 0.51100 3.02700 1.000 C6 C -1.35100 0.40100 3.66000 1.000 C7 C 0.74200 1.52700 3.37500 1.000 C8 C -1.70700 1.31100 4.63800 1.000 C9 C 0.38400 2.43900 4.35000 1.000 C10 C -0.83900 2.33000 4.98300 1.000 C11 C 0.73300 -1.35600 -0.93700 1.000 C12 C 0.96400 -0.87200 -2.34600 1.000 C13 C 1.81100 0.19500 -2.57800 1.000 C14 C 0.33300 -1.50100 -3.40400 1.000 C15 C 2.02500 0.64000 -3.86800 1.000 C16 C 0.53800 -1.05700 -4.69500 1.000 C17 C 1.38900 0.01400 -4.93200 1.000 C18 C 2.80300 0.96800 -6.59000 1.000 C19 C 2.99700 1.56800 -7.95900 1.000 C20 C -2.49200 -2.34400 -0.97300 1.000 C21 C -3.89600 -4.20300 -1.68600 1.000 C22 C -5.07700 -4.44200 -2.62900 1.000 C23 C -2.80500 -0.13400 -1.95000 1.000 C24 C -3.90000 0.56200 -1.13900 1.000 C25 C -4.66000 1.53700 -2.04100 1.000 C26 C -6.39900 3.12200 -2.18200 1.000 C27 C -6.68500 1.17000 -0.89100 1.000 N28 N 2.19100 -1.18300 3.28600 1.000 N29 N -1.22000 3.30500 6.02900 1.000 N30 N 1.60400 0.46300 -6.24000 1.000 N31 N -2.07700 -1.06700 -1.08600 1.000 N32 N -3.51500 -2.78900 -1.72800 1.000 N33 N -5.71100 2.20600 -1.26300 1.000 O34 O 1.07600 -0.86700 5.17800 1.000 O35 O 0.20600 -3.13800 0.85700 1.000 O36 O -0.45500 4.20300 6.33300 1.000 O37 O -2.29900 3.21000 6.58700 1.000 O38 O -0.91400 -0.94900 1.29500 1.000 O39 O -0.63100 0.91100 -0.38500 1.000 O40 O -1.94300 -3.09400 -0.18900 1.000 O41 O 3.72600 0.94000 -5.80400 1.000 Cl42 Cl 4.62500 -1.60700 5.26200 1.000 Cl43 Cl 2.96500 0.10700 6.98700 1.000 F44 F 4.31400 2.02200 -8.08600 1.000 F45 F 2.74200 0.59800 -8.93400 1.000 F46 F 2.11600 2.64200 -8.12700 1.000 P47 P -0.75700 -0.55700 -0.25700 1.000 H48 H 3.74800 0.56900 4.76800 1.000 H49 H 0.32800 -2.14500 3.32700 1.000 H50 H 2.03900 -2.18800 0.80000 1.000 H51 H 1.89800 -3.51200 1.98100 1.000 H52 H 0.91800 0.00100 1.23800 1.000 H53 H -2.02900 -0.39400 3.39100 1.000 H54 H 1.69800 1.61200 2.88100 1.000 H55 H -2.66300 1.22600 5.13300 1.000 H56 H 1.06200 3.23600 4.61900 1.000 H57 H 1.59500 -1.10300 -0.32000 1.000 H58 H 0.59500 -2.43700 -0.94300 1.000 H59 H 2.30500 0.68100 -1.75100 1.000 H60 H -0.32700 -2.33500 -3.21900 1.000 H61 H 2.68700 1.47400 -4.04900 1.000 H62 H 0.04200 -1.54600 -5.52000 1.000 H63 H -4.18300 -4.47200 -0.66900 1.000 H64 H -3.05100 -4.81700 -1.99900 1.000 H65 H -5.36000 -5.49400 -2.59700 1.000 H66 H -5.92200 -3.82900 -2.31600 1.000 H67 H -4.79000 -4.17400 -3.64600 1.000 H68 H -2.11400 0.61100 -2.34300 1.000 H69 H -3.25800 -0.68100 -2.77600 1.000 H70 H -4.59100 -0.18200 -0.74600 1.000 H71 H -3.44700 1.11000 -0.31300 1.000 H72 H -3.96900 2.28200 -2.43400 1.000 H73 H -5.11300 0.98900 -2.86700 1.000 H74 H -7.19300 3.64500 -1.64800 1.000 H75 H -5.68600 3.84700 -2.57400 1.000 H76 H -6.82900 2.55300 -3.00700 1.000 H77 H -7.48900 1.62000 -0.30900 1.000 H78 H -7.09800 0.72000 -1.79400 1.000 H79 H -6.19000 0.40300 -0.29600 1.000 H80 H 3.03300 -1.13500 2.80700 1.000 H81 H 0.89000 0.41000 -6.89400 1.000 H82 H -4.00000 -2.17400 -2.30000 1.000 H83 H 0.49800 -3.76900 0.18500 1.000