# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0EK' 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 9.07800 -1.43300 1.37000 1.000 C1 C 9.12100 -1.33700 0.15900 1.000 O2 O 10.19600 -1.78900 -0.51400 1.000 C3 C 11.26600 -2.37800 0.27200 1.000 C4 C 10.72800 -3.58400 1.04300 1.000 C5 C 12.39400 -2.82900 -0.65900 1.000 C6 C 11.80500 -1.34000 1.25900 1.000 N7 N 8.09000 -0.78500 -0.51000 1.000 C8 C 6.91800 -0.29900 0.22100 1.000 C9 C 5.71700 -0.31000 -0.69000 1.000 O10 O 5.83000 -0.68600 -1.83700 1.000 C11 C 7.17600 1.12800 0.70900 1.000 C12 C 8.29800 1.12100 1.71400 1.000 C13 C 9.60500 1.27600 1.29200 1.000 C14 C 8.02000 0.96400 3.05900 1.000 C15 C 10.63500 1.26800 2.21400 1.000 C16 C 9.05000 0.95700 3.98200 1.000 C17 C 10.35700 1.10700 3.55900 1.000 N18 N 4.51800 0.09900 -0.22900 1.000 C19 C 3.35100 0.08800 -1.11500 1.000 C20 C 2.34600 1.10200 -0.63300 1.000 O21 O 2.58100 1.76800 0.35400 1.000 C22 C 2.71600 -1.30400 -1.10500 1.000 C23 C 3.67800 -2.29800 -1.70200 1.000 N24 N 4.53600 -3.07200 -1.02000 1.000 C25 C 3.82300 -2.57100 -3.01300 1.000 C26 C 5.21100 -3.81000 -1.85900 1.000 N27 N 4.79700 -3.52800 -3.11300 1.000 N28 N 1.18600 1.26900 -1.29700 1.000 C29 C 0.16100 2.17200 -0.76700 1.000 C30 C 0.40900 3.58900 -1.28800 1.000 C31 C -0.59000 4.55100 -0.64400 1.000 C32 C -0.44200 5.93800 -1.27500 1.000 C33 C -0.31400 4.64300 0.85800 1.000 C34 C -1.44100 6.90000 -0.63000 1.000 C35 C -1.31300 5.60600 1.50300 1.000 C36 C -1.16500 6.99200 0.87200 1.000 C37 C -1.22100 1.69600 -1.22000 1.000 O38 O -1.28000 1.69600 -2.64800 1.000 C39 C -1.47000 0.28000 -0.69800 1.000 N40 N -2.79300 -0.17500 -1.13200 1.000 C41 C -2.94300 -0.88200 -2.40700 1.000 C42 C -2.78300 -2.38600 -2.17800 1.000 C43 C -3.92700 -2.89200 -1.29800 1.000 C44 C -2.81600 -3.11300 -3.52400 1.000 C45 C -3.87200 0.05600 -0.35900 1.000 O46 O -3.74800 0.64200 0.69900 1.000 N47 N -5.09000 -0.36300 -0.75800 1.000 C48 C -6.26300 -0.11100 0.08300 1.000 C49 C -7.32400 -1.13800 -0.21600 1.000 O50 O -7.12100 -1.99600 -1.04900 1.000 C51 C -6.81000 1.28800 -0.21000 1.000 C52 C -5.77800 2.33700 0.21100 1.000 C53 C -6.32500 3.73500 -0.08200 1.000 C54 C -5.29300 4.78400 0.33800 1.000 N55 N -5.81800 6.12700 0.05700 1.000 N56 N -8.50000 -1.10400 0.44300 1.000 C57 C -9.53200 -2.10200 0.15200 1.000 C58 C -10.34700 -1.65100 -1.03200 1.000 O59 O -10.09300 -0.60400 -1.57800 1.000 C60 C -10.44500 -2.26100 1.37000 1.000 C61 C -9.65400 -2.82800 2.52000 1.000 C62 C -9.01200 -1.97900 3.40200 1.000 C63 C -9.57600 -4.19700 2.69700 1.000 C64 C -8.28600 -2.50000 4.45800 1.000 C65 C -8.85000 -4.71700 3.75200 1.000 C66 C -8.20300 -3.86900 4.63100 1.000 O67 O -11.35700 -2.41400 -1.48100 1.000 H68 H 10.34400 -4.32300 0.34000 1.000 H69 H 11.53100 -4.02600 1.63300 1.000 H70 H 9.92500 -3.26300 1.70600 1.000 H71 H 12.77700 -1.96900 -1.20900 1.000 H72 H 13.19700 -3.27100 -0.07000 1.000 H73 H 12.01000 -3.56800 -1.36300 1.000 H74 H 11.00200 -1.01800 1.92200 1.000 H75 H 12.60800 -1.78200 1.84800 1.000 H76 H 12.18800 -0.48000 0.70900 1.000 H77 H 8.12500 -0.70800 -1.47700 1.000 H78 H 6.73000 -0.94700 1.07800 1.000 H79 H 7.45100 1.75700 -0.13800 1.000 H80 H 6.27200 1.52100 1.17500 1.000 H81 H 9.82200 1.40200 0.24200 1.000 H82 H 6.99800 0.84800 3.38900 1.000 H83 H 11.65600 1.38900 1.88500 1.000 H84 H 8.83200 0.83600 5.03200 1.000 H85 H 11.16200 1.10100 4.28000 1.000 H86 H 4.42800 0.40000 0.68900 1.000 H87 H 3.66200 0.33900 -2.12900 1.000 H88 H 2.48600 -1.59100 -0.08000 1.000 H89 H 1.79900 -1.28800 -1.69300 1.000 H90 H 4.63900 -3.08100 -0.05600 1.000 H91 H 3.27600 -2.12100 -3.82800 1.000 H92 H 5.97200 -4.52800 -1.59400 1.000 H93 H 5.12600 -3.93100 -3.93200 1.000 H94 H 1.02900 0.79200 -2.12700 1.000 H95 H 0.20600 2.17200 0.32200 1.000 H96 H 1.42400 3.89600 -1.03600 1.000 H97 H 0.28300 3.60500 -2.37100 1.000 H98 H -1.60400 4.18500 -0.80500 1.000 H99 H 0.57200 6.30400 -1.11300 1.000 H100 H -0.63900 5.87200 -2.34500 1.000 H101 H -0.42000 3.65600 1.30800 1.000 H102 H 0.70000 5.00900 1.02000 1.000 H103 H -1.33600 7.88800 -1.08000 1.000 H104 H -2.45500 6.53400 -0.79200 1.000 H105 H -2.32700 5.24000 1.34100 1.000 H106 H -1.11700 5.67100 2.57300 1.000 H107 H -0.15200 7.35800 1.03300 1.000 H108 H -1.87700 7.67800 1.33100 1.000 H109 H -1.98400 2.36800 -0.82500 1.000 H110 H -0.62800 1.11900 -3.06800 1.000 H111 H -0.70700 -0.39200 -1.09300 1.000 H112 H -1.42500 0.28000 0.39100 1.000 H113 H -3.93200 -0.68000 -2.82000 1.000 H114 H -2.18100 -0.53700 -3.10500 1.000 H115 H -1.83100 -2.57900 -1.68400 1.000 H116 H -4.87900 -2.69900 -1.79200 1.000 H117 H -3.81300 -3.96400 -1.13500 1.000 H118 H -3.90400 -2.37500 -0.33900 1.000 H119 H -2.00100 -2.75200 -4.15200 1.000 H120 H -2.70200 -4.18400 -3.36100 1.000 H121 H -3.76800 -2.92000 -4.01900 1.000 H122 H -5.18900 -0.83000 -1.60200 1.000 H123 H -5.97800 -0.17800 1.13300 1.000 H124 H -7.01100 1.38300 -1.27700 1.000 H125 H -7.73200 1.44100 0.35000 1.000 H126 H -5.57600 2.24100 1.27800 1.000 H127 H -4.85500 2.18300 -0.34900 1.000 H128 H -6.52600 3.83100 -1.14900 1.000 H129 H -7.24800 3.88900 0.47700 1.000 H130 H -5.09200 4.68900 1.40500 1.000 H131 H -4.37000 4.63100 -0.22100 1.000 H132 H -5.13800 6.81900 0.33500 1.000 H133 H -6.00500 6.21600 -0.93000 1.000 H134 H -6.67300 6.26900 0.57500 1.000 H135 H -8.66200 -0.41800 1.10900 1.000 H136 H -9.05900 -3.05800 -0.07500 1.000 H137 H -10.84800 -1.28800 1.65100 1.000 H138 H -11.26400 -2.93600 1.12400 1.000 H139 H -9.07600 -0.91000 3.26700 1.000 H140 H -10.08200 -4.85900 2.01000 1.000 H141 H -7.78400 -1.83700 5.14600 1.000 H142 H -8.79000 -5.78600 3.89000 1.000 H143 H -7.63600 -4.27500 5.45600 1.000 H144 H -11.85100 -2.08300 -2.24300 1.000