# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9CH' 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 3.11900 1.29700 0.10300 1.000 C1 C -0.29800 1.27900 1.22300 1.000 C2 C 1.70500 1.53000 0.46900 1.000 C3 C -4.31300 -3.02400 -2.12100 1.000 N4 N -3.32600 -2.78500 -1.06500 1.000 C5 C -2.54700 -3.79300 -0.63100 1.000 N6 N -1.63100 -3.61100 0.33500 1.000 C7 C -0.80800 -4.74100 0.77200 1.000 C8 C -1.45700 -2.40200 0.90800 1.000 C9 C -2.24900 -1.31900 0.48600 1.000 N10 N -2.33700 0.01900 0.84400 1.000 C11 C -1.53700 0.70600 1.86100 1.000 N12 N -0.18100 2.46700 0.70000 1.000 N13 N 1.01300 2.62200 0.24700 1.000 C14 C 3.84800 2.29600 -0.54400 1.000 C15 C 5.16700 2.07400 -0.88300 1.000 C16 C 5.76700 0.86300 -0.58300 1.000 Cl17 Cl 7.42700 0.59200 -1.01300 1.000 C18 C 5.04900 -0.13300 0.05900 1.000 Cl19 Cl 5.81000 -1.64800 0.43200 1.000 C20 C 3.73000 0.08000 0.40700 1.000 O21 O 0.88900 0.66000 1.09700 1.000 C22 C -3.30800 0.56900 0.06800 1.000 N23 N -3.70900 1.88500 0.10900 1.000 C24 C -5.11000 1.99500 0.53900 1.000 C25 C -5.49200 3.47300 0.64800 1.000 N26 N -5.29000 4.12700 -0.65200 1.000 C27 C -3.88900 4.01600 -1.08200 1.000 C28 C -3.50700 2.53800 -1.19100 1.000 N29 N -3.80500 -0.35400 -0.73000 1.000 C30 C -3.19100 -1.51900 -0.51800 1.000 O31 O -0.62200 -2.24900 1.78300 1.000 O32 O -2.67600 -4.89700 -1.12500 1.000 H33 H -4.27100 -4.06900 -2.42700 1.000 H34 H -5.31100 -2.79600 -1.74400 1.000 H35 H -4.09300 -2.38600 -2.97600 1.000 H36 H -1.08200 -5.63100 0.20500 1.000 H37 H 0.24400 -4.51200 0.60200 1.000 H38 H -0.97300 -4.92200 1.83400 1.000 H39 H -1.25100 -0.00300 2.63800 1.000 H40 H -2.12400 1.51100 2.30300 1.000 H41 H 3.38100 3.24100 -0.77800 1.000 H42 H 5.73200 2.84700 -1.38300 1.000 H43 H 3.17100 -0.69700 0.90800 1.000 H44 H -5.75400 1.50600 -0.19200 1.000 H45 H -5.23100 1.51500 1.51000 1.000 H46 H -6.53900 3.55700 0.93900 1.000 H47 H -4.86600 3.95600 1.39900 1.000 H48 H -5.91300 3.74600 -1.34900 1.000 H49 H -3.76700 4.49600 -2.05300 1.000 H50 H -3.24500 4.50500 -0.35100 1.000 H51 H -2.45900 2.45400 -1.48200 1.000 H52 H -4.13200 2.05500 -1.94200 1.000