# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '929' 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 -6.18000 0.06200 3.20400 1.000 C1 C -5.17000 0.06000 2.52700 1.000 N2 N -4.21400 0.98500 2.74200 1.000 C3 C -4.39100 1.99200 3.79100 1.000 C4 C -3.04100 2.48000 4.25100 1.000 C5 C -2.81200 2.71400 5.59400 1.000 C6 C -1.57400 3.16200 6.01600 1.000 C7 C -0.56600 3.37600 5.09500 1.000 C8 C -0.79500 3.14100 3.75300 1.000 C9 C -2.03100 2.68900 3.33100 1.000 C10 C -5.19800 3.16800 3.23900 1.000 C11 C -4.98900 -0.96000 1.47200 1.000 C12 C -5.97700 -1.92100 1.25200 1.000 C13 C -5.80800 -2.87800 0.26200 1.000 N14 N -6.79900 -3.83900 0.04500 1.000 S15 S -7.50300 -3.98000 -1.44700 1.000 O16 O -7.25100 -2.72900 -2.07200 1.000 C17 C -6.56800 -5.30100 -2.26600 1.000 O18 O -8.83000 -4.40700 -1.16900 1.000 C19 C -7.21400 -4.72300 1.13800 1.000 C20 C -4.65700 -2.88300 -0.51200 1.000 C21 C -3.83500 -0.95800 0.69200 1.000 C22 C -3.66500 -1.92400 -0.29800 1.000 C23 C -2.43900 -1.93000 -1.12400 1.000 O24 O -2.29400 -2.77100 -1.99000 1.000 N25 N -1.48200 -1.00400 -0.91600 1.000 C26 C -0.26700 -1.01000 -1.73500 1.000 C27 C -0.52200 -0.24200 -3.03300 1.000 O28 O -0.76900 1.13300 -2.73300 1.000 C29 C -1.02100 1.94300 -3.88200 1.000 C30 C -1.26600 3.36600 -3.45000 1.000 C31 C -0.20700 4.24800 -3.34600 1.000 C32 C -0.43100 5.55600 -2.95000 1.000 F33 F 0.60400 6.41800 -2.84800 1.000 C34 C -1.71700 5.97900 -2.65700 1.000 C35 C -2.77600 5.09500 -2.76200 1.000 F36 F -4.03100 5.50600 -2.47700 1.000 C37 C -2.55000 3.78900 -3.16300 1.000 C38 C 0.87200 -0.34100 -0.96200 1.000 O39 O 0.51100 1.00700 -0.65500 1.000 C40 C 1.12800 -1.10900 0.33600 1.000 C41 C 2.32600 -0.49700 1.06300 1.000 C42 C 2.47100 -1.14300 2.44200 1.000 C43 C 3.57900 -0.74100 0.26100 1.000 O44 O 3.51800 -1.34500 -0.78900 1.000 N45 N 4.76600 -0.28800 0.71000 1.000 C46 C 5.98300 -0.52500 -0.07000 1.000 C47 C 6.13200 0.57000 -1.12800 1.000 C48 C 4.96500 0.48700 -2.11500 1.000 C49 C 6.12700 1.94100 -0.44900 1.000 C50 C 7.17900 -0.50300 0.84700 1.000 O51 O 7.09500 0.01300 1.94100 1.000 N52 N 8.34200 -1.05600 0.45000 1.000 C53 C 9.47100 -1.13400 1.38000 1.000 C54 C 10.64200 -1.79100 0.69500 1.000 C55 C 11.56100 -1.02100 0.00700 1.000 C56 C 12.63500 -1.62300 -0.62100 1.000 C57 C 12.79000 -2.99600 -0.56100 1.000 C58 C 11.87200 -3.76600 0.12800 1.000 C59 C 10.80000 -3.16300 0.76000 1.000 H60 H -3.40800 0.98400 2.20200 1.000 H61 H -4.92300 1.54900 4.63300 1.000 H62 H -3.60000 2.54700 6.31400 1.000 H63 H -1.39500 3.34500 7.06600 1.000 H64 H 0.40100 3.72700 5.42500 1.000 H65 H -0.00700 3.30900 3.03300 1.000 H66 H -2.20900 2.50200 2.28200 1.000 H67 H -6.17400 2.81500 2.90600 1.000 H68 H -5.32900 3.91800 4.01900 1.000 H69 H -4.66500 3.61100 2.39700 1.000 H70 H -6.87400 -1.92000 1.85400 1.000 H71 H -6.65400 -6.22000 -1.68700 1.000 H72 H -6.96800 -5.46300 -3.26700 1.000 H73 H -5.51900 -5.01300 -2.33700 1.000 H74 H -8.03700 -4.26200 1.68400 1.000 H75 H -7.54000 -5.67900 0.72800 1.000 H76 H -6.37400 -4.88500 1.81300 1.000 H77 H -4.52800 -3.63000 -1.28200 1.000 H78 H -3.07100 -0.21300 0.85600 1.000 H79 H -1.59700 -0.33400 -0.22500 1.000 H80 H 0.00800 -2.03900 -1.96900 1.000 H81 H 0.35100 -0.32200 -3.68000 1.000 H82 H -1.39000 -0.66400 -3.54000 1.000 H83 H -0.15800 1.90900 -4.54700 1.000 H84 H -1.89900 1.56600 -4.40700 1.000 H85 H 0.79500 3.91800 -3.57500 1.000 H86 H -1.89200 6.99800 -2.34700 1.000 H87 H -3.37700 3.10000 -3.24900 1.000 H88 H 1.77600 -0.34600 -1.57100 1.000 H89 H -0.28600 1.08700 -0.11400 1.000 H90 H 0.24600 -1.04800 0.97400 1.000 H91 H 1.33700 -2.15400 0.10500 1.000 H92 H 2.17200 0.57600 1.17900 1.000 H93 H 2.71300 -2.20000 2.32500 1.000 H94 H 3.26900 -0.64700 2.99400 1.000 H95 H 1.53400 -1.04300 2.99000 1.000 H96 H 4.81400 0.19500 1.55000 1.000 H97 H 5.91800 -1.49600 -0.55900 1.000 H98 H 7.07100 0.43300 -1.66400 1.000 H99 H 4.03600 0.73400 -1.60200 1.000 H100 H 5.12900 1.19100 -2.93100 1.000 H101 H 4.90000 -0.52500 -2.51600 1.000 H102 H 6.95800 2.00000 0.25500 1.000 H103 H 6.23300 2.72100 -1.20300 1.000 H104 H 5.18800 2.07800 0.08600 1.000 H105 H 8.43200 -1.40300 -0.45200 1.000 H106 H 9.75200 -0.12900 1.69600 1.000 H107 H 9.18400 -1.72200 2.25200 1.000 H108 H 11.44000 0.05100 -0.04000 1.000 H109 H 13.35300 -1.02200 -1.15900 1.000 H110 H 13.62900 -3.46600 -1.05200 1.000 H111 H 11.99300 -4.83800 0.17500 1.000 H112 H 10.08400 -3.76400 1.30100 1.000