# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0MS' 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 -2.42400 2.60900 2.46200 1.000 C1 C -1.91800 3.62900 1.67600 1.000 C2 C -3.13400 1.57600 1.88500 1.000 C3 C -2.12000 3.62000 0.30800 1.000 C4 C 4.55400 -1.23700 -0.60900 1.000 C5 C 3.61100 0.69700 0.43400 1.000 C6 C -3.34600 1.56300 0.50800 1.000 C7 C -3.93800 -0.99400 0.11200 1.000 C8 C 3.29900 -1.81900 -0.56700 1.000 C9 C -2.83000 2.59100 -0.28100 1.000 C10 C 4.70700 0.04500 -0.09800 1.000 C11 C -4.10700 0.45600 -0.11800 1.000 C12 C -4.88600 -1.54700 -0.71100 1.000 C13 C 2.23900 -1.10300 -0.02100 1.000 C14 C -2.98300 -1.67800 1.00200 1.000 C15 C 0.00400 -0.87700 -0.73400 1.000 C16 C 0.53400 -1.86400 1.41700 1.000 C17 C -1.32800 -1.63000 -0.80800 1.000 C18 C -0.77700 -2.65800 1.43100 1.000 C19 C 3.08400 -3.21000 -1.10500 1.000 C20 C -5.17600 -3.01500 -0.89300 1.000 N21 N 2.42400 0.12000 0.45200 1.000 N22 N -5.07500 0.55100 -0.99400 1.000 N23 N 0.97300 -1.67600 0.02800 1.000 N24 N -1.74500 -1.97700 0.56000 1.000 O25 O -3.31100 -1.97200 2.13500 1.000 O26 O -5.50100 -0.53000 -1.32000 1.000 Cl27 Cl -3.08300 2.58100 -1.99800 1.000 Br28 Br 6.39900 0.89000 -0.12900 1.000 H29 H -2.26000 2.61900 3.53000 1.000 H30 H -1.36300 4.43500 2.13300 1.000 H31 H -3.52500 0.77900 2.50000 1.000 H32 H -1.72300 4.41900 -0.30000 1.000 H33 H 5.39500 -1.77000 -1.02700 1.000 H34 H 3.72500 1.69500 0.82900 1.000 H35 H 0.38300 -0.70900 -1.74200 1.000 H36 H -0.14700 0.08200 -0.23800 1.000 H37 H 0.37500 -0.89200 1.88300 1.000 H38 H 1.29700 -2.41200 1.96900 1.000 H39 H -2.08300 -0.99500 -1.27100 1.000 H40 H -1.20300 -2.53900 -1.39600 1.000 H41 H -0.59700 -3.66800 1.06100 1.000 H42 H -1.16700 -2.70300 2.44800 1.000 H43 H 3.14700 -3.92900 -0.28800 1.000 H44 H 2.10000 -3.27200 -1.56900 1.000 H45 H 3.85000 -3.43500 -1.84700 1.000 H46 H -5.93300 -3.32700 -0.17400 1.000 H47 H -5.54200 -3.19000 -1.90500 1.000 H48 H -4.26400 -3.58900 -0.73200 1.000