# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CI1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -2.40500 -2.29000 -0.39300 1.000 S1 S -2.16400 -0.99600 0.14200 1.000 O2 O -1.58500 0.02900 -0.65300 1.000 C3 C -3.63700 -0.37900 1.00200 1.000 C4 C -4.72700 -0.10500 -0.00100 1.000 C5 C -5.62500 -1.10200 -0.33600 1.000 C6 C -6.62500 -0.85100 -1.25700 1.000 C7 C -6.72800 0.39700 -1.84200 1.000 C8 C -5.83100 1.39400 -1.50700 1.000 C9 C -4.83400 1.14400 -0.58300 1.000 N10 N -1.05900 -1.25200 1.34800 1.000 C11 C -0.97800 -2.55300 2.02600 1.000 C12 C 0.46700 -3.05800 1.95500 1.000 C13 C 1.40400 -1.99200 2.52700 1.000 C14 C -0.13500 -0.18500 1.75600 1.000 C15 C 1.29700 -0.71400 1.69200 1.000 C16 C 1.65300 -1.01800 0.25900 1.000 O17 O 0.88200 -0.72900 -0.63200 1.000 C18 C 2.88700 -1.64100 -0.04600 1.000 C19 C 3.25300 -1.82300 -1.33800 1.000 O20 O 2.44000 -1.41000 -2.33600 1.000 C21 C 4.54500 -2.47600 -1.65800 1.000 O22 O 4.90900 -2.65700 -2.94200 1.000 O23 O 5.27600 -2.84700 -0.76200 1.000 C24 C 2.25800 0.34000 2.24500 1.000 C25 C 2.10300 1.62000 1.46400 1.000 C26 C 1.23800 2.60100 1.91100 1.000 C27 C 1.09600 3.77500 1.19500 1.000 C28 C 2.83100 1.81400 0.30500 1.000 C29 C 2.69000 2.98800 -0.41100 1.000 C30 C 1.82100 3.96800 0.03200 1.000 Cl31 Cl 1.64300 5.44300 -0.86600 1.000 H32 H -3.98000 -1.12600 1.71700 1.000 H33 H -3.39000 0.54300 1.53000 1.000 H34 H -5.54400 -2.07700 0.12200 1.000 H35 H -4.13500 1.92400 -0.31900 1.000 H36 H -7.32500 -1.63000 -1.51900 1.000 H37 H -7.50900 0.59200 -2.56200 1.000 H38 H -5.91200 2.36900 -1.96500 1.000 H39 H -1.27500 -2.44100 3.06800 1.000 H40 H -1.63800 -3.26500 1.53000 1.000 H41 H -0.23900 0.66600 1.08200 1.000 H42 H -0.36200 0.12400 2.77600 1.000 H43 H 0.56100 -3.97500 2.53600 1.000 H44 H 0.73300 -3.25600 0.91600 1.000 H45 H 1.12200 -1.77600 3.55800 1.000 H46 H 2.43000 -2.35800 2.50100 1.000 H47 H 2.02900 0.52500 3.29500 1.000 H48 H 3.28300 -0.02000 2.15400 1.000 H49 H 3.53700 -1.97100 0.75100 1.000 H50 H 2.78500 -1.58300 -3.22200 1.000 H51 H 5.76100 -3.08600 -3.10100 1.000 H52 H 0.67200 2.45000 2.81800 1.000 H53 H 3.51000 1.04900 -0.04000 1.000 H54 H 0.42000 4.54200 1.54400 1.000 H55 H 3.25900 3.14000 -1.31600 1.000