# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9OQ' 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 -15.02700 5.48000 3.88100 1.000 C1 C -14.10200 5.75700 2.94800 1.000 O2 O -13.44900 6.77000 3.02700 1.000 C3 C -13.87800 4.80400 1.80300 1.000 C4 C -12.77900 5.35200 0.89100 1.000 C5 C -12.55200 4.38400 -0.27200 1.000 C6 C -11.55800 4.98000 -1.23500 1.000 O7 O -10.52100 4.40500 -1.46800 1.000 O8 O -11.82400 6.15200 -1.83500 1.000 N9 N -12.03200 3.11500 0.24300 1.000 C10 C -12.22000 1.97700 -0.45500 1.000 O11 O -12.82100 2.00400 -1.51100 1.000 N12 N -11.74100 0.80900 0.01900 1.000 C13 C -11.94600 -0.42800 -0.73900 1.000 C14 C -13.29400 -1.00800 -0.39900 1.000 O15 O -14.01100 -0.44600 0.39500 1.000 O16 O -13.69900 -2.14900 -0.97800 1.000 C17 C -10.85100 -1.43400 -0.37800 1.000 C18 C -9.49400 -0.89700 -0.83600 1.000 C19 C -8.39900 -1.90400 -0.47500 1.000 C20 C -7.04200 -1.36700 -0.93400 1.000 N21 N -5.99400 -2.33100 -0.58800 1.000 C22 C -4.70800 -2.06900 -0.89700 1.000 O23 O -4.41900 -1.03500 -1.46200 1.000 C24 C -3.63100 -3.06000 -0.54100 1.000 C25 C -3.61100 -3.26900 0.97400 1.000 C26 C -2.61800 -4.35000 1.31900 1.000 C27 C -1.32400 -4.01400 1.57400 1.000 C28 C -0.39500 -5.01900 1.89500 1.000 C29 C 0.94900 -4.71200 2.16500 1.000 C30 C 1.81900 -5.71200 2.47400 1.000 C31 C 1.39800 -7.03900 2.52700 1.000 C32 C 0.10400 -7.37400 2.27100 1.000 C33 C -0.82400 -6.36900 1.94900 1.000 C34 C -2.16800 -6.67700 1.67900 1.000 C35 C -3.04000 -5.67700 1.37700 1.000 N36 N -2.33100 -2.54600 -0.98100 1.000 C37 C -1.32200 -3.40100 -1.24200 1.000 O38 O -1.49000 -4.59800 -1.11300 1.000 C39 C -0.01000 -2.88300 -1.68500 1.000 C40 C 0.18900 -1.50900 -1.82800 1.000 C41 C 1.41500 -1.03100 -2.24200 1.000 C42 C 1.03700 -3.76500 -1.95700 1.000 C43 C 2.25900 -3.27500 -2.37000 1.000 C44 C 2.44700 -1.91200 -2.51500 1.000 C45 C 3.78400 -1.38400 -2.96700 1.000 N46 N 4.63100 -1.13500 -1.79800 1.000 C47 C 5.88100 -0.65700 -1.96000 1.000 O48 O 6.30400 -0.43200 -3.07500 1.000 C49 C 6.75300 -0.40200 -0.75800 1.000 C50 C 6.95400 -1.70800 0.01300 1.000 C51 C 7.73400 -1.42600 1.29900 1.000 C52 C 7.93200 -2.71300 2.05800 1.000 O53 O 8.59500 -2.70800 3.22500 1.000 O54 O 7.49500 -3.74900 1.61500 1.000 N55 N 8.05200 0.11200 -1.19700 1.000 C56 C 8.79400 0.86800 -0.36400 1.000 O57 O 8.38600 1.12400 0.74900 1.000 C58 C 10.13200 1.39700 -0.81600 1.000 C59 C 9.94000 2.28300 -2.04800 1.000 C60 C 11.30700 2.71800 -2.58100 1.000 C61 C 11.11800 3.59100 -3.79500 1.000 O62 O 12.18600 4.09200 -4.43400 1.000 O63 O 10.00400 3.84000 -4.19300 1.000 N64 N 10.73500 2.18400 0.26200 1.000 C65 C 12.07400 2.33200 0.32000 1.000 O66 O 12.78000 1.81200 -0.52200 1.000 C67 C 12.68300 3.12500 1.40800 1.000 C68 C 14.07300 3.28600 1.47900 1.000 C69 C 14.59400 4.03800 2.51400 1.000 C70 C 13.73100 4.60400 3.44300 1.000 F71 F 14.23600 5.33500 4.46000 1.000 N72 N 12.42400 4.43400 3.34900 1.000 C73 C 11.88200 3.73100 2.37700 1.000 H74 H -15.13400 6.12100 4.59700 1.000 H75 H -13.57700 3.83200 2.19200 1.000 H76 H -14.80200 4.69600 1.23400 1.000 H77 H -13.08100 6.32400 0.50100 1.000 H78 H -11.85500 5.45900 1.45900 1.000 H79 H -13.49600 4.20700 -0.78800 1.000 H80 H -11.15600 6.49400 -2.44500 1.000 H81 H -11.55200 3.09300 1.08500 1.000 H82 H -11.26200 0.78800 0.86200 1.000 H83 H -11.90200 -0.21100 -1.80600 1.000 H84 H -14.57100 -2.48300 -0.72900 1.000 H85 H -10.83700 -1.58300 0.70200 1.000 H86 H -11.05300 -2.38300 -0.87300 1.000 H87 H -9.50800 -0.74800 -1.91600 1.000 H88 H -9.29200 0.05200 -0.34100 1.000 H89 H -8.38500 -2.05300 0.60400 1.000 H90 H -8.60100 -2.85300 -0.97100 1.000 H91 H -7.05600 -1.21800 -2.01300 1.000 H92 H -6.84000 -0.41800 -0.43800 1.000 H93 H -6.22500 -3.15800 -0.13600 1.000 H94 H -3.83200 -4.01000 -1.03700 1.000 H95 H -3.32200 -2.34000 1.46500 1.000 H96 H -4.60300 -3.56600 1.31300 1.000 H97 H -1.01200 -2.98100 1.52800 1.000 H98 H 1.28900 -3.68800 2.12800 1.000 H99 H 2.85200 -5.47200 2.68000 1.000 H100 H 2.11000 -7.81300 2.77400 1.000 H101 H -0.20800 -8.40700 2.31500 1.000 H102 H -2.50900 -7.70100 1.71600 1.000 H103 H -4.07300 -5.91600 1.17100 1.000 H104 H -2.19600 -1.59100 -1.08300 1.000 H105 H -0.61600 -0.82000 -1.61600 1.000 H106 H 1.57000 0.03200 -2.35300 1.000 H107 H 0.89100 -4.82900 -1.84400 1.000 H108 H 3.06900 -3.95700 -2.58000 1.000 H109 H 4.26500 -2.11700 -3.61400 1.000 H110 H 3.64100 -0.45300 -3.51600 1.000 H111 H 4.29300 -1.31500 -0.90600 1.000 H112 H 6.27200 0.33200 -0.11000 1.000 H113 H 5.98300 -2.13600 0.26300 1.000 H114 H 7.51300 -2.41100 -0.60400 1.000 H115 H 8.70500 -0.99800 1.04900 1.000 H116 H 7.17500 -0.72300 1.91600 1.000 H117 H 8.69700 -3.55800 3.67500 1.000 H118 H 8.37900 -0.09300 -2.08700 1.000 H119 H 10.78600 0.56200 -1.06700 1.000 H120 H 9.41000 1.72300 -2.81900 1.000 H121 H 9.35900 3.16400 -1.77500 1.000 H122 H 11.83600 3.27800 -1.81000 1.000 H123 H 11.88700 1.83700 -2.85400 1.000 H124 H 12.01500 4.64700 -5.20700 1.000 H125 H 10.17200 2.59800 0.93400 1.000 H126 H 14.72100 2.83400 0.74300 1.000 H127 H 15.66000 4.18300 2.60100 1.000 H128 H 10.80900 3.61500 2.33400 1.000