# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9OT' 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 15.60500 4.92600 -3.54600 1.000 C1 C 14.69800 5.22100 -2.60200 1.000 O2 O 14.12400 6.28400 -2.62700 1.000 C3 C 14.39600 4.22700 -1.51000 1.000 C4 C 13.33500 4.80600 -0.57200 1.000 C5 C 13.02900 3.79700 0.53700 1.000 C6 C 12.07600 4.41400 1.52800 1.000 O7 O 10.99800 3.90700 1.72700 1.000 O8 O 12.42600 5.52800 2.19100 1.000 N9 N 12.41800 2.60100 -0.04800 1.000 C10 C 12.51500 1.41600 0.58700 1.000 O11 O 13.11000 1.34000 1.64500 1.000 N12 N 11.95300 0.31500 0.05000 1.000 C13 C 12.05900 -0.97300 0.74000 1.000 C14 C 13.36100 -1.63500 0.37200 1.000 O15 O 13.67500 -2.83300 0.88900 1.000 O16 O 14.12300 -1.08700 -0.38900 1.000 C17 C 10.89400 -1.87200 0.32200 1.000 C18 C 9.57800 -1.26000 0.80700 1.000 C19 C 8.41300 -2.16000 0.38900 1.000 C20 C 7.09700 -1.54800 0.87300 1.000 N21 N 5.98100 -2.41000 0.47300 1.000 C22 C 4.71800 -2.06800 0.79400 1.000 O23 O 4.50400 -1.04800 1.41300 1.000 C24 C 3.57000 -2.95400 0.38200 1.000 C25 C 3.54400 -3.08000 -1.14300 1.000 C26 C 2.47500 -4.06200 -1.54800 1.000 C27 C 1.21100 -3.61600 -1.78600 1.000 C28 C 0.21200 -4.52900 -2.16400 1.000 C29 C -1.10400 -4.10700 -2.42000 1.000 C30 C -2.04500 -5.02000 -2.78400 1.000 C31 C -1.72500 -6.37000 -2.90800 1.000 C32 C -0.46200 -6.81600 -2.66800 1.000 C33 C 0.53700 -5.90300 -2.29100 1.000 C34 C 1.85300 -6.32500 -2.03500 1.000 C35 C 2.79600 -5.41100 -1.67700 1.000 N36 N 2.31000 -2.36800 0.84600 1.000 C37 C 1.23800 -3.15700 1.05800 1.000 O38 O 1.31700 -4.35500 0.86500 1.000 C39 C -0.03400 -2.56600 1.52600 1.000 C40 C -1.14600 -3.38000 1.74700 1.000 C41 C -2.32900 -2.82200 2.18400 1.000 C42 C -0.12600 -1.19200 1.75400 1.000 C43 C -1.31600 -0.64700 2.19100 1.000 C44 C -2.41600 -1.45900 2.40300 1.000 C45 C -3.71200 -0.85600 2.87900 1.000 N46 N -4.52500 -0.46900 1.72400 1.000 C47 C -5.73500 0.09500 1.91000 1.000 O48 O -6.15100 0.28200 3.03300 1.000 C49 C -6.57200 0.49200 0.72100 1.000 C50 C -5.81000 1.52000 -0.11800 1.000 C51 C -6.60300 1.83000 -1.38900 1.000 C52 C -5.85300 2.84300 -2.21500 1.000 O53 O -4.79200 3.27200 -1.82800 1.000 O54 O -6.36300 3.26800 -3.38200 1.000 N55 N -7.83200 1.07800 1.18400 1.000 C56 C -8.92100 1.04700 0.39200 1.000 O57 O -8.85900 0.53400 -0.70600 1.000 C58 C -10.21800 1.65000 0.86900 1.000 C59 C -10.67000 0.94100 2.14700 1.000 C60 C -11.91800 1.63300 2.70000 1.000 C61 C -12.36300 0.93400 3.95800 1.000 O62 O -11.74600 -0.02000 4.37100 1.000 O63 O -13.44600 1.37100 4.62100 1.000 N64 N -11.24100 1.49000 -0.16700 1.000 C65 C -12.28600 2.33900 -0.22000 1.000 O66 O -12.37900 3.23900 0.59300 1.000 C67 C -13.31800 2.17800 -1.26400 1.000 C68 C -14.40800 3.05500 -1.32900 1.000 C69 C -15.34700 2.86200 -2.32500 1.000 C70 C -15.18100 1.81500 -3.22000 1.000 F71 F -16.09600 1.62200 -4.19500 1.000 N72 N -14.14100 1.00400 -3.13400 1.000 C73 C -13.21900 1.15300 -2.20600 1.000 H74 H 15.76500 5.59500 -4.22600 1.000 H75 H 14.02400 3.30300 -1.95200 1.000 H76 H 15.30500 4.01900 -0.94600 1.000 H77 H 13.70700 5.73000 -0.12900 1.000 H78 H 12.42600 5.01400 -1.13600 1.000 H79 H 13.95300 3.52200 1.04300 1.000 H80 H 11.78200 5.88700 2.81700 1.000 H81 H 11.94300 2.66100 -0.89100 1.000 H82 H 11.47800 0.37600 -0.79400 1.000 H83 H 12.02500 -0.81100 1.81700 1.000 H84 H 14.52200 -3.21700 0.62300 1.000 H85 H 10.87500 -1.96200 -0.76400 1.000 H86 H 11.02000 -2.86000 0.76600 1.000 H87 H 9.59600 -1.17100 1.89300 1.000 H88 H 9.45100 -0.27300 0.36300 1.000 H89 H 8.39400 -2.24900 -0.69700 1.000 H90 H 8.53900 -3.14800 0.83200 1.000 H91 H 7.11500 -1.45900 1.95900 1.000 H92 H 6.97000 -0.56100 0.42900 1.000 H93 H 6.15200 -3.22600 -0.02300 1.000 H94 H 3.69700 -3.94200 0.82600 1.000 H95 H 3.32900 -2.10600 -1.58400 1.000 H96 H 4.51300 -3.43200 -1.49500 1.000 H97 H 0.97800 -2.56600 -1.68600 1.000 H98 H -1.36700 -3.06300 -2.32800 1.000 H99 H -3.05600 -4.69300 -2.98000 1.000 H100 H -2.49100 -7.07400 -3.19900 1.000 H101 H -0.22800 -7.86500 -2.76700 1.000 H102 H 2.11600 -7.36900 -2.12700 1.000 H103 H 3.80700 -5.73900 -1.48100 1.000 H104 H 2.24700 -1.41300 1.00000 1.000 H105 H -1.08000 -4.44400 1.57700 1.000 H106 H -3.19100 -3.45100 2.35500 1.000 H107 H 0.73200 -0.55700 1.58900 1.000 H108 H -1.38800 0.41600 2.36800 1.000 H109 H -4.25500 -1.58800 3.47700 1.000 H110 H -3.50200 0.02500 3.48700 1.000 H111 H -4.19300 -0.61900 0.82500 1.000 H112 H -6.78200 -0.38800 0.11400 1.000 H113 H -5.67700 2.43400 0.46000 1.000 H114 H -4.83400 1.11700 -0.38900 1.000 H115 H -6.73600 0.91600 -1.96700 1.000 H116 H -7.57900 2.23400 -1.11800 1.000 H117 H -5.84500 3.91700 -3.87700 1.000 H118 H -7.88200 1.48800 2.06200 1.000 H119 H -10.07100 2.71000 1.07400 1.000 H120 H -10.90200 -0.10100 1.92200 1.000 H121 H -9.87200 0.98400 2.88800 1.000 H122 H -11.68600 2.67400 2.92400 1.000 H123 H -12.71600 1.59000 1.95800 1.000 H124 H -13.69300 0.89100 5.42300 1.000 H125 H -11.16700 0.77200 -0.81600 1.000 H126 H -14.51300 3.86100 -0.61800 1.000 H127 H -16.20100 3.51800 -2.40500 1.000 H128 H -12.38100 0.47200 -2.17000 1.000