# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0QF' 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 5.71300 -4.01400 1.27300 1.000 C1 C 6.23900 -3.71200 -0.02200 1.000 C2 C 5.21100 -2.88700 -0.80400 1.000 N3 N 4.81200 -1.73700 0.02300 1.000 C4 C 4.39200 -1.99500 1.40900 1.000 C5 C 5.46000 -2.86400 2.08400 1.000 S6 S 4.83500 -0.19800 -0.58900 1.000 O7 O 4.95000 0.67500 0.52700 1.000 O8 O 5.76200 -0.20900 -1.66600 1.000 N9 N 3.34600 0.08700 -1.25500 1.000 C10 C 2.15700 0.12700 -0.40000 1.000 C11 C 0.98200 -0.44700 -1.14800 1.000 O12 O 1.12300 -0.85000 -2.28400 1.000 C13 C 1.85600 1.57600 -0.01200 1.000 C14 C 2.97800 2.11000 0.84100 1.000 C15 C 4.05900 2.73700 0.24900 1.000 C16 C 2.92400 1.97900 2.21600 1.000 C17 C 5.08800 3.22700 1.03100 1.000 C18 C 3.95300 2.47000 2.99900 1.000 C19 C 5.03600 3.09100 2.40600 1.000 N20 N -0.22700 -0.51300 -0.55600 1.000 C21 C -1.39300 -0.96600 -1.31800 1.000 C22 C -2.56100 -0.05700 -1.03800 1.000 O23 O -3.03000 0.62000 -1.92800 1.000 S24 S -1.81400 -2.66100 -0.82800 1.000 C25 C -1.24400 -3.64800 -2.23900 1.000 C26 C -1.64300 -5.11100 -2.03300 1.000 C27 C -4.27900 0.81500 0.45400 1.000 N28 N -3.08600 0.00400 0.20200 1.000 C29 C -3.86400 2.26400 0.71700 1.000 O30 O -3.00500 2.31400 1.85800 1.000 C31 C -3.12300 2.81200 -0.50400 1.000 O32 O -3.98300 2.76300 -1.64500 1.000 C33 C -2.70800 4.26100 -0.24100 1.000 C34 C -1.89300 4.78200 -1.42600 1.000 C35 C -1.60500 6.27200 -1.23300 1.000 C36 C -0.57200 4.01400 -1.51200 1.000 C37 C -5.02000 0.26700 1.67500 1.000 C38 C -5.51300 -1.15000 1.37800 1.000 C39 C -6.57400 -1.10100 0.27600 1.000 C40 C -6.12200 -1.75400 2.64500 1.000 C41 C -7.06700 -2.51900 -0.02000 1.000 C42 C -6.61600 -3.17200 2.34900 1.000 C43 C -7.67600 -3.12300 1.24700 1.000 H44 H 7.16100 -3.14000 0.08400 1.000 H45 H 6.44400 -4.64000 -0.55600 1.000 H46 H 5.65600 -2.53300 -1.73500 1.000 H47 H 4.33800 -3.50100 -1.02500 1.000 H48 H 4.29500 -1.05100 1.94500 1.000 H49 H 3.43700 -2.52000 1.41200 1.000 H50 H 5.10500 -3.18100 3.06500 1.000 H51 H 6.37900 -2.28900 2.19700 1.000 H52 H 3.26200 0.22800 -2.21100 1.000 H53 H 2.33700 -0.46100 0.50000 1.000 H54 H 1.76500 2.18200 -0.91300 1.000 H55 H 0.92300 1.61500 0.55000 1.000 H56 H 4.09900 2.84300 -0.82500 1.000 H57 H 2.07700 1.49400 2.68000 1.000 H58 H 5.93200 3.71600 0.56800 1.000 H59 H 3.91000 2.36800 4.07300 1.000 H60 H 5.84000 3.47400 3.01700 1.000 H61 H -0.32500 -0.26000 0.37500 1.000 H62 H -1.16200 -0.94300 -2.38300 1.000 H63 H -1.70200 -3.27200 -3.15400 1.000 H64 H -0.15900 -3.57600 -2.31800 1.000 H65 H -1.30100 -5.70400 -2.88100 1.000 H66 H -1.18600 -5.48700 -1.11800 1.000 H67 H -2.72800 -5.18300 -1.95400 1.000 H68 H -4.93500 0.77700 -0.41600 1.000 H69 H -2.67300 -0.49000 0.92800 1.000 H70 H -4.75200 2.86800 0.90400 1.000 H71 H -2.19300 1.79800 1.76100 1.000 H72 H -2.23500 2.20900 -0.69200 1.000 H73 H -4.79400 3.27900 -1.54800 1.000 H74 H -3.59900 4.87700 -0.11500 1.000 H75 H -2.10400 4.30700 0.66500 1.000 H76 H -2.45700 4.63700 -2.34700 1.000 H77 H -1.10000 6.66200 -2.11600 1.000 H78 H -2.54300 6.80600 -1.08400 1.000 H79 H -0.96700 6.40800 -0.35900 1.000 H80 H -0.77600 2.95300 -1.65000 1.000 H81 H 0.01000 4.38500 -2.35600 1.000 H82 H -0.00700 4.15900 -0.59100 1.000 H83 H -4.34500 0.24500 2.53000 1.000 H84 H -5.87200 0.90800 1.90100 1.000 H85 H -4.67600 -1.76500 1.04900 1.000 H86 H -7.41100 -0.48700 0.60500 1.000 H87 H -6.14000 -0.67100 -0.62600 1.000 H88 H -5.36700 -1.78900 3.43100 1.000 H89 H -6.96000 -1.13900 2.97400 1.000 H90 H -7.82200 -2.48400 -0.80500 1.000 H91 H -6.22900 -3.13400 -0.34900 1.000 H92 H -5.77800 -3.78600 2.02000 1.000 H93 H -7.04900 -3.60200 3.25200 1.000 H94 H -8.51400 -2.50800 1.57600 1.000 H95 H -8.02700 -4.13300 1.03600 1.000