# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '031' 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 -6.84300 1.73000 -3.31600 1.000 C1 C -8.22400 1.62000 -2.96500 1.000 C2 C -5.94300 1.70800 -2.29800 1.000 C3 C -6.38000 1.57700 -0.98800 1.000 C4 C -5.46400 1.55500 0.04600 1.000 C5 C -4.11200 1.66300 -0.22500 1.000 C6 C -3.67400 1.79400 -1.53000 1.000 C7 C -4.58600 1.81100 -2.56700 1.000 S8 S -2.94500 1.63500 1.09500 1.000 O9 O -1.83600 2.41200 0.66700 1.000 O10 O -3.67600 1.91200 2.28200 1.000 N11 N -2.40000 0.07800 1.23500 1.000 C12 C -3.00600 -0.82600 2.21600 1.000 C13 C -3.72800 -1.96100 1.48700 1.000 C14 C -4.42400 -2.89200 2.50300 1.000 N15 N -4.80300 -1.42200 0.64600 1.000 C16 C -6.00500 -1.58800 1.22600 1.000 O17 O -7.06100 -1.22800 0.75000 1.000 C18 C -5.84700 -2.29100 2.55900 1.000 C19 C -1.31200 -0.39700 0.37700 1.000 C20 C 0.02000 -0.25100 1.11500 1.000 O21 O 0.03100 -1.11600 2.25300 1.000 C22 C 1.16800 -0.62900 0.17600 1.000 N23 N 2.44700 -0.37600 0.84300 1.000 C24 C 3.55500 -0.14200 0.11100 1.000 O25 O 3.49100 -0.14100 -1.10300 1.000 O26 O 4.73100 0.09000 0.72300 1.000 C27 C 7.17900 -0.15000 0.56200 1.000 C28 C 5.88100 0.33400 -0.12800 1.000 C29 C 6.09700 1.84800 -0.32200 1.000 C30 C 7.61800 2.08100 -0.33700 1.000 O31 O 7.98200 2.83600 0.83800 1.000 C32 C 9.34800 2.47400 1.12800 1.000 C33 C 9.41600 0.95200 0.87100 1.000 C34 C 8.27600 0.68900 -0.13500 1.000 C35 C 1.06500 -2.11200 -0.18400 1.000 C36 C 1.83600 -2.35700 -2.55300 1.000 C37 C 2.80400 -2.67300 -3.48800 1.000 C38 C 4.05400 -3.09300 -3.07400 1.000 C39 C 4.33600 -3.19700 -1.72400 1.000 C40 C 3.36900 -2.88100 -0.78900 1.000 C41 C 2.12000 -2.45600 -1.20400 1.000 H42 H -8.39200 0.67600 -2.44500 1.000 H43 H -8.50000 2.44800 -2.31200 1.000 H44 H -8.83200 1.65000 -3.86800 1.000 H45 H -7.43600 1.49400 -0.77600 1.000 H46 H -5.80300 1.45300 1.06600 1.000 H47 H -2.61800 1.87900 -1.73900 1.000 H48 H -4.24400 1.90900 -3.58700 1.000 H49 H -2.22800 -1.24200 2.85600 1.000 H50 H -3.72200 -0.27300 2.82500 1.000 H51 H -3.02200 -2.52700 0.87900 1.000 H52 H -4.44800 -3.91900 2.13900 1.000 H53 H -3.93800 -2.83800 3.47800 1.000 H54 H -4.66500 -1.00100 -0.21600 1.000 H55 H -6.59100 -3.08000 2.66500 1.000 H56 H -5.92700 -1.57700 3.37900 1.000 H57 H -1.47600 -1.44500 0.12700 1.000 H58 H -1.28600 0.19500 -0.53900 1.000 H59 H 0.14300 0.78100 1.44200 1.000 H60 H -0.07400 -2.05300 2.03600 1.000 H61 H 1.10700 -0.02900 -0.73200 1.000 H62 H 2.49800 -0.37700 1.81200 1.000 H63 H 7.15100 0.06400 1.63100 1.000 H64 H 7.33900 -1.21400 0.38800 1.000 H65 H 5.75300 -0.16200 -1.09100 1.000 H66 H 5.66200 2.16900 -1.26800 1.000 H67 H 5.64400 2.39800 0.50300 1.000 H68 H 7.94600 2.55700 -1.26000 1.000 H69 H 10.03100 3.00200 0.46200 1.000 H70 H 9.58700 2.69500 2.16800 1.000 H71 H 10.37800 0.68100 0.43600 1.000 H72 H 9.24700 0.40100 1.79600 1.000 H73 H 8.61900 0.24200 -1.06800 1.000 H74 H 1.21500 -2.71500 0.71100 1.000 H75 H 0.07800 -2.31800 -0.60000 1.000 H76 H 0.85900 -2.03000 -2.87600 1.000 H77 H 2.58400 -2.59100 -4.54200 1.000 H78 H 4.81100 -3.33900 -3.80400 1.000 H79 H 5.31300 -3.52600 -1.40100 1.000 H80 H 3.58900 -2.96300 0.26500 1.000