# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XA' 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 -0.84700 2.29300 0.76500 1.000 C1 C 0.51800 1.99800 0.92900 1.000 C2 C 3.14300 1.47900 1.25600 1.000 C3 C 4.57300 0.94700 1.37500 1.000 C4 C -4.22100 1.19700 -0.07400 1.000 C5 C 5.18500 1.68400 -0.84900 1.000 C6 C 5.60800 1.19900 -2.23800 1.000 C7 C 6.74600 -0.68600 -1.23300 1.000 C8 C 6.32300 -0.20100 0.15700 1.000 C9 C -5.46200 1.72200 0.30200 1.000 C10 C -6.61600 1.05500 -0.07900 1.000 C11 C -5.39600 -0.58900 -1.16000 1.000 C12 C -4.20200 0.01100 -0.82400 1.000 C13 C 7.96200 1.35800 -1.69200 1.000 N14 N -1.71300 1.30300 0.38200 1.000 C15 C 0.95900 0.72300 0.70400 1.000 C16 C 0.04100 -0.27100 0.31100 1.000 C17 C -1.26400 0.03400 0.16000 1.000 C18 C -2.96600 1.87500 0.30200 1.000 C19 C -2.82000 3.19100 0.63800 1.000 N20 N -1.53800 3.41900 0.90800 1.000 O21 O 2.27300 0.41800 0.85600 1.000 N22 N 5.05200 0.53000 0.05100 1.000 N23 N 6.87900 0.46900 -2.13200 1.000 N24 N -6.55000 -0.06400 -0.78700 1.000 Cl25 Cl -5.38400 -2.05700 -2.08700 1.000 N26 N -7.85700 1.56400 0.28700 1.000 S27 S 0.59900 -1.91600 0.01700 1.000 O28 O -0.47700 -2.53200 -0.67800 1.000 O29 O 1.86900 -1.75000 -0.59900 1.000 C30 C 0.78200 -2.63400 1.67200 1.000 C31 C 1.36700 -4.04300 1.55500 1.000 C32 C 1.72200 -1.76100 2.50600 1.000 C33 C -0.58600 -2.70500 2.35200 1.000 H34 H 1.21000 2.77000 1.23100 1.000 H35 H 2.81900 1.87000 2.22000 1.000 H36 H 3.11200 2.27400 0.51200 1.000 H37 H 5.22100 1.73200 1.76500 1.000 H38 H 4.58800 0.09400 2.05300 1.000 H39 H 5.93900 2.36600 -0.45700 1.000 H40 H 4.22800 2.20100 -0.92100 1.000 H41 H 4.84100 0.53800 -2.64200 1.000 H42 H 5.73500 2.05600 -2.89900 1.000 H43 H 7.70300 -1.20300 -1.16100 1.000 H44 H 5.99300 -1.36800 -1.62500 1.000 H45 H 6.19500 -1.05800 0.81800 1.000 H46 H 7.08900 0.46000 0.56100 1.000 H47 H -5.52000 2.63300 0.87900 1.000 H48 H -3.26400 -0.42500 -1.13300 1.000 H49 H 8.90400 0.80800 -1.68700 1.000 H50 H 8.03900 2.20300 -2.37500 1.000 H51 H 7.74800 1.72100 -0.68700 1.000 H52 H -1.96100 -0.73400 -0.14100 1.000 H53 H -3.61300 3.92400 0.67500 1.000 H54 H -7.91200 2.38200 0.80600 1.000 H55 H -8.66800 1.10200 0.02400 1.000 H56 H 2.34200 -3.99300 1.07000 1.000 H57 H 1.47700 -4.47500 2.54900 1.000 H58 H 0.69800 -4.66600 0.96100 1.000 H59 H 1.30500 -0.75700 2.59000 1.000 H60 H 1.83200 -2.19300 3.50100 1.000 H61 H 2.69700 -1.71100 2.02200 1.000 H62 H -1.28100 -3.25200 1.71500 1.000 H63 H -0.49100 -3.21700 3.30900 1.000 H64 H -0.96300 -1.69500 2.51600 1.000