# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C7J' 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 -5.74600 -0.16500 -0.91900 1.000 C1 C -5.23600 -1.46800 -0.27400 1.000 Cl2 Cl -6.36700 -2.01900 1.01700 1.000 C3 C -5.21100 -2.48100 -1.44000 1.000 O4 O -5.06300 -1.67400 -2.62500 1.000 C5 C -5.90000 -0.51500 -2.42600 1.000 O6 O -5.34400 0.57700 -3.17100 1.000 C7 C -4.88000 1.60100 -2.27800 1.000 C8 C -4.59700 0.87400 -0.93900 1.000 O9 O -3.30100 0.22000 -0.96200 1.000 C10 C -2.27700 0.87300 -0.38000 1.000 O11 O -2.46100 1.95800 0.13300 1.000 N12 N -1.04700 0.32100 -0.36700 1.000 C13 C 0.06700 1.03100 0.26600 1.000 C14 C 0.07600 0.73000 1.76600 1.000 C15 C -1.16800 1.29700 2.39900 1.000 C16 C -2.31200 0.52500 2.48700 1.000 C17 C -3.45300 1.04400 3.06800 1.000 C18 C -3.45100 2.33600 3.56200 1.000 C19 C -2.30800 3.10700 3.47500 1.000 C20 C -1.16500 2.58600 2.89800 1.000 C21 C 1.38600 0.56700 -0.35500 1.000 O22 O 1.59600 -0.81400 -0.05200 1.000 C23 C 2.53900 1.39500 0.21600 1.000 N24 N 3.78200 1.04500 -0.47500 1.000 C25 C 3.94800 1.37400 -1.89300 1.000 C26 C 4.45100 2.81300 -2.02700 1.000 C27 C 5.85000 2.92400 -1.41900 1.000 C28 C 4.50600 3.19800 -3.50700 1.000 S29 S 4.99800 0.27800 0.34500 1.000 O30 O 6.16700 0.41300 -0.45100 1.000 O31 O 4.91900 0.72700 1.69100 1.000 C32 C 4.60800 -1.44000 0.37000 1.000 C33 C 4.94100 -2.23800 -0.70900 1.000 C34 C 4.63700 -3.58500 -0.69300 1.000 C35 C 3.99600 -4.13800 0.40800 1.000 N36 N 3.68700 -5.50000 0.42800 1.000 C37 C 3.66300 -3.33300 1.49000 1.000 C38 C 3.97500 -1.98800 1.47000 1.000 H39 H -6.66600 0.20500 -0.46500 1.000 H40 H -4.23400 -1.32600 0.13200 1.000 H41 H -6.93800 -0.71400 -2.69100 1.000 H42 H -4.67400 1.56100 -0.09600 1.000 H43 H -4.36500 -3.16000 -1.33400 1.000 H44 H -6.14600 -3.04100 -1.47500 1.000 H45 H -3.96600 2.05200 -2.66400 1.000 H46 H -5.64900 2.36100 -2.14100 1.000 H47 H -0.90000 -0.54600 -0.77700 1.000 H48 H -0.05000 2.10300 0.11100 1.000 H49 H 0.10400 -0.34800 1.92100 1.000 H50 H 0.95600 1.18600 2.22300 1.000 H51 H 1.34500 0.69900 -1.43600 1.000 H52 H -2.31300 -0.48400 2.10100 1.000 H53 H -0.27000 3.18800 2.83300 1.000 H54 H -4.34700 0.44200 3.13600 1.000 H55 H -4.34400 2.74200 4.01500 1.000 H56 H -2.30600 4.11600 3.86000 1.000 H57 H 1.69200 -0.99900 0.89300 1.000 H58 H 2.32900 2.45500 0.07400 1.000 H59 H 2.64400 1.18600 1.28100 1.000 H60 H 4.67200 0.69300 -2.34100 1.000 H61 H 2.99100 1.27500 -2.40400 1.000 H62 H 3.77200 3.48500 -1.50200 1.000 H63 H 6.52900 2.25100 -1.94400 1.000 H64 H 6.20800 3.94900 -1.51400 1.000 H65 H 5.81100 2.64900 -0.36500 1.000 H66 H 3.50900 3.12000 -3.94000 1.000 H67 H 4.86400 4.22300 -3.60200 1.000 H68 H 5.18500 2.52600 -4.03200 1.000 H69 H 5.44000 -1.80800 -1.56500 1.000 H70 H 3.72000 -1.36200 2.31300 1.000 H71 H 4.89700 -4.20800 -1.53600 1.000 H72 H 3.92100 -6.06100 -0.32800 1.000 H73 H 3.23900 -5.88500 1.19800 1.000 H74 H 3.16400 -3.75900 2.34800 1.000