# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C7M' 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 7.82700 2.51100 0.89300 1.000 O1 O 7.92000 1.21000 1.47900 1.000 C2 C 7.01100 0.42600 0.84200 1.000 C3 C 6.87100 -0.90700 1.20000 1.000 C4 C 5.94700 -1.70200 0.55100 1.000 C5 C 5.16100 -1.17000 -0.45500 1.000 C6 C 5.29900 0.15800 -0.81400 1.000 C7 C 6.21800 0.95900 -0.16400 1.000 S8 S 3.98300 -2.18700 -1.28100 1.000 O9 O 4.43000 -3.52300 -1.09800 1.000 O10 O 3.74700 -1.56300 -2.53600 1.000 N11 N 2.55700 -2.07000 -0.44700 1.000 C12 C 1.84700 -0.79100 -0.38400 1.000 C13 C 0.41600 -1.02500 0.10500 1.000 O14 O 0.44500 -1.50700 1.44900 1.000 C15 C -0.36300 0.29100 0.05100 1.000 C16 C 0.24600 1.28500 1.04200 1.000 C17 C -0.46000 2.61100 0.92300 1.000 C18 C -1.49700 2.92100 1.78300 1.000 C19 C -2.14600 4.13700 1.67300 1.000 C20 C -1.75700 5.04300 0.70400 1.000 C21 C -0.71900 4.73300 -0.15500 1.000 C22 C -0.06800 3.51900 -0.04300 1.000 N23 N -1.76700 0.04400 0.40600 1.000 C24 C -2.39000 -0.79900 -0.62300 1.000 C25 C -3.80600 -1.12100 -0.21800 1.000 C26 C -4.09800 -2.33900 0.36300 1.000 C27 C -5.39800 -2.63500 0.73600 1.000 Cl28 Cl -5.76200 -4.16700 1.46700 1.000 C29 C -6.40800 -1.71200 0.52700 1.000 C30 C -6.12100 -0.49300 -0.05400 1.000 C31 C -4.81600 -0.19100 -0.42400 1.000 N32 N -4.52300 1.04300 -1.01200 1.000 C33 C -4.60800 1.34400 -2.36400 1.000 N34 N -4.26700 2.57400 -2.54600 1.000 N35 N -3.93000 3.13700 -1.30800 1.000 N36 N -4.09600 2.16500 -0.35900 1.000 H37 H 8.05000 2.44600 -0.17200 1.000 H38 H 6.81700 2.89900 1.03000 1.000 H39 H 8.54100 3.17800 1.37400 1.000 H40 H 7.48500 -1.32200 1.98600 1.000 H41 H 5.83700 -2.73900 0.82900 1.000 H42 H 4.68500 0.57100 -1.60100 1.000 H43 H 6.32600 1.99600 -0.44500 1.000 H44 H 2.19200 -2.85000 0.00100 1.000 H45 H 2.36200 -0.12200 0.30600 1.000 H46 H 1.82300 -0.34000 -1.37600 1.000 H47 H -0.07000 -1.76100 -0.53500 1.000 H48 H 0.88300 -0.82700 1.98100 1.000 H49 H -0.31000 0.70400 -0.95600 1.000 H50 H 0.13300 0.90300 2.05700 1.000 H51 H 1.30600 1.41700 0.82000 1.000 H52 H -1.80200 2.21300 2.53900 1.000 H53 H -2.95700 4.37900 2.34400 1.000 H54 H -2.26400 5.99300 0.61800 1.000 H55 H -0.41500 5.44100 -0.91200 1.000 H56 H 0.74300 3.27700 -0.71400 1.000 H57 H -1.81100 -0.42500 1.29800 1.000 H58 H -2.25900 0.92300 0.46400 1.000 H59 H -2.39600 -0.26700 -1.57400 1.000 H60 H -1.82300 -1.72400 -0.72700 1.000 H61 H -3.31200 -3.06100 0.52700 1.000 H62 H -7.42100 -1.94600 0.81800 1.000 H63 H -6.91000 0.22700 -0.21700 1.000 H64 H -4.91800 0.65900 -3.14000 1.000 H65 H -3.63400 4.04800 -1.15200 1.000 H66 H -4.85800 2.46400 0.23200 1.000