# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0RQ' 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 7.13000 1.39100 0.26300 1.000 O1 O 7.15900 3.55900 -1.03000 1.000 O2 O 8.67500 3.39400 0.98000 1.000 O3 O 9.18500 2.06700 -1.23200 1.000 O4 O 4.50900 -0.79100 0.15100 1.000 O5 O 2.62200 1.21300 -0.76500 1.000 O6 O 1.16400 0.74800 -2.90300 1.000 O7 O 1.73600 3.10000 -2.18800 1.000 O8 O 0.06800 1.83700 -0.77600 1.000 O9 O -1.16400 3.89500 -1.56400 1.000 O10 O -2.28500 1.66400 -1.93500 1.000 O11 O -2.07800 2.70900 0.46800 1.000 C12 C -3.87200 1.90200 2.56900 1.000 C13 C -2.62400 4.03000 2.96700 1.000 C14 C -3.31500 3.40100 0.65000 1.000 C15 C -5.03600 4.09900 2.32000 1.000 C16 C -3.71200 3.35800 2.12600 1.000 C17 C 5.72800 -1.48000 0.50200 1.000 C18 C 6.76700 -0.90700 -0.49400 1.000 C19 C 6.33400 0.57500 -0.59900 1.000 C20 C 3.96600 1.12500 -1.24100 1.000 P21 P 8.01900 2.62300 -0.27100 1.000 P22 P 1.40500 1.75400 -1.66900 1.000 P23 P -1.36000 2.55600 -0.96500 1.000 C24 C -10.54600 -3.60500 -0.24900 1.000 C25 C -10.18400 -2.18700 -0.69500 1.000 C26 C -7.46700 1.68300 0.61700 1.000 C27 C -7.82900 0.26500 1.06400 1.000 C28 C -8.79000 -0.34300 0.07500 1.000 C29 C -6.07300 3.52700 1.38800 1.000 C30 C 4.86500 0.57300 -0.13200 1.000 O31 O -4.85200 5.48700 2.03400 1.000 O32 O -6.49400 4.19400 0.46700 1.000 O33 O -9.15100 0.29500 -0.89100 1.000 N34 N -6.53300 2.27400 1.57800 1.000 N35 N -9.25000 -1.59600 0.26600 1.000 O36 O 8.09200 -1.01500 0.03200 1.000 C37 C 7.81100 -5.05800 2.23600 1.000 C38 C 6.38300 -6.31600 0.93000 1.000 C39 C 5.80800 -5.12700 0.45000 1.000 C40 C 6.30300 -3.90600 0.93900 1.000 C41 C 4.68400 -3.54200 -0.51200 1.000 N42 N 5.93100 -7.54800 0.49200 1.000 N43 N 7.37200 -6.22900 1.81300 1.000 N44 N 7.30000 -3.91900 1.81900 1.000 N45 N 5.57500 -2.92500 0.31500 1.000 N46 N 4.81700 -4.83300 -0.42500 1.000 C47 C -11.52200 -4.22200 -1.25200 1.000 C48 C -11.87800 -5.61900 -0.81200 1.000 O49 O -11.40100 -6.07400 0.19900 1.000 C50 C -12.83100 -6.44800 -1.63500 1.000 H51 H 9.22500 4.14900 0.73300 1.000 H52 H 9.78800 1.44700 -0.79900 1.000 H53 H 0.94200 -0.15500 -2.63700 1.000 H54 H -2.45600 0.77100 -1.60500 1.000 H55 H -4.56400 1.39200 1.89800 1.000 H56 H -2.90300 1.40400 2.53900 1.000 H57 H -4.26500 1.87300 3.58600 1.000 H58 H -2.87800 3.94600 4.02300 1.000 H59 H -1.66800 3.54000 2.78200 1.000 H60 H -2.55200 5.08200 2.69300 1.000 H61 H -3.20100 4.43800 0.33400 1.000 H62 H -4.09000 2.92200 0.05100 1.000 H63 H -5.37100 3.98200 3.35100 1.000 H64 H 6.01300 -1.25600 1.53000 1.000 H65 H 6.69300 -1.40300 -1.46200 1.000 H66 H 6.40800 0.92300 -1.62900 1.000 H67 H 4.00400 0.46100 -2.10400 1.000 H68 H 4.31400 2.11700 -1.53000 1.000 H69 H -9.64200 -4.21200 -0.20000 1.000 H70 H -11.01200 -3.56800 0.73600 1.000 H71 H -9.71800 -2.22400 -1.68000 1.000 H72 H -7.00100 1.64600 -0.36700 1.000 H73 H -8.37100 2.29000 0.56900 1.000 H74 H -6.92500 -0.34200 1.11200 1.000 H75 H -8.29500 0.30200 2.04800 1.000 H76 H 4.75800 1.17900 0.76700 1.000 H77 H -4.55500 5.66600 1.13200 1.000 H78 H -6.24400 1.76400 2.35100 1.000 H79 H 8.37500 -1.92400 0.19900 1.000 H80 H 8.61700 -5.03300 2.95500 1.000 H81 H 3.96900 -3.03300 -1.14200 1.000 H82 H 6.33600 -8.36200 0.83100 1.000 H83 H 5.20800 -7.59800 -0.15300 1.000 H84 H -12.42600 -3.61500 -1.30100 1.000 H85 H -11.05600 -4.25900 -2.23700 1.000 H86 H -12.26900 -7.02000 -2.37400 1.000 H87 H -13.37400 -7.13200 -0.98300 1.000 H88 H -13.53700 -5.79200 -2.14400 1.000 H89 H -11.08800 -1.57900 -0.74400 1.000 H90 H -8.96200 -2.10600 1.03800 1.000