# CIF file generated by openbabel 2.3.2, see http://openbabel.sf.net data_I _chemical_name_common '0EK' loop_ _atom_site_type_symbol _atom_site_label _atom_site_Cartn_x _atom_site_Cartn_y _atom_site_Cartn_z O O1 9.07800 -1.43300 1.37000 C C2 9.12100 -1.33700 0.15900 O O3 10.19600 -1.78900 -0.51400 C C4 11.26600 -2.37800 0.27200 C C5 10.72800 -3.58400 1.04300 C C6 12.39400 -2.82900 -0.65900 C C7 11.80500 -1.34000 1.25900 N N8 8.09000 -0.78500 -0.51000 C C9 6.91800 -0.29900 0.22100 C C10 5.71700 -0.31000 -0.69000 O O11 5.83000 -0.68600 -1.83700 C C12 7.17600 1.12800 0.70900 C C13 8.29800 1.12100 1.71400 C C14 9.60500 1.27600 1.29200 C C15 8.02000 0.96400 3.05900 C C16 10.63500 1.26800 2.21400 C C17 9.05000 0.95700 3.98200 C C18 10.35700 1.10700 3.55900 N N19 4.51800 0.09900 -0.22900 C C20 3.35100 0.08800 -1.11500 C C21 2.34600 1.10200 -0.63300 O O22 2.58100 1.76800 0.35400 C C23 2.71600 -1.30400 -1.10500 C C24 3.67800 -2.29800 -1.70200 N N25 4.53600 -3.07200 -1.02000 C C26 3.82300 -2.57100 -3.01300 C C27 5.21100 -3.81000 -1.85900 N N28 4.79700 -3.52800 -3.11300 N N29 1.18600 1.26900 -1.29700 C C30 0.16100 2.17200 -0.76700 C C31 0.40900 3.58900 -1.28800 C C32 -0.59000 4.55100 -0.64400 C C33 -0.44200 5.93800 -1.27500 C C34 -0.31400 4.64300 0.85800 C C35 -1.44100 6.90000 -0.63000 C C36 -1.31300 5.60600 1.50300 C C37 -1.16500 6.99200 0.87200 C C38 -1.22100 1.69600 -1.22000 O O39 -1.28000 1.69600 -2.64800 C C40 -1.47000 0.28000 -0.69800 N N41 -2.79300 -0.17500 -1.13200 C C42 -2.94300 -0.88200 -2.40700 C C43 -2.78300 -2.38600 -2.17800 C C44 -3.92700 -2.89200 -1.29800 C C45 -2.81600 -3.11300 -3.52400 C C46 -3.87200 0.05600 -0.35900 O O47 -3.74800 0.64200 0.69900 N N48 -5.09000 -0.36300 -0.75800 C C49 -6.26300 -0.11100 0.08300 C C50 -7.32400 -1.13800 -0.21600 O O51 -7.12100 -1.99600 -1.04900 C C52 -6.81000 1.28800 -0.21000 C C53 -5.77800 2.33700 0.21100 C C54 -6.32500 3.73500 -0.08200 C C55 -5.29300 4.78400 0.33800 N N56 -5.81800 6.12700 0.05700 N N57 -8.50000 -1.10400 0.44300 C C58 -9.53200 -2.10200 0.15200 C C59 -10.34700 -1.65100 -1.03200 O O60 -10.09300 -0.60400 -1.57800 C C61 -10.44500 -2.26100 1.37000 C C62 -9.65400 -2.82800 2.52000 C C63 -9.01200 -1.97900 3.40200 C C64 -9.57600 -4.19700 2.69700 C C65 -8.28600 -2.50000 4.45800 C C66 -8.85000 -4.71700 3.75200 C C67 -8.20300 -3.86900 4.63100 O O68 -11.35700 -2.41400 -1.48100 H H69 10.34400 -4.32300 0.34000 H H70 11.53100 -4.02600 1.63300 H H71 9.92500 -3.26300 1.70600 H H72 12.77700 -1.96900 -1.20900 H H73 13.19700 -3.27100 -0.07000 H H74 12.01000 -3.56800 -1.36300 H H75 11.00200 -1.01800 1.92200 H H76 12.60800 -1.78200 1.84800 H H77 12.18800 -0.48000 0.70900 H H78 8.12500 -0.70800 -1.47700 H H79 6.73000 -0.94700 1.07800 H H80 7.45100 1.75700 -0.13800 H H81 6.27200 1.52100 1.17500 H H82 9.82200 1.40200 0.24200 H H83 6.99800 0.84800 3.38900 H H84 11.65600 1.38900 1.88500 H H85 8.83200 0.83600 5.03200 H H86 11.16200 1.10100 4.28000 H H87 4.42800 0.40000 0.68900 H H88 3.66200 0.33900 -2.12900 H H89 2.48600 -1.59100 -0.08000 H H90 1.79900 -1.28800 -1.69300 H H91 4.63900 -3.08100 -0.05600 H H92 3.27600 -2.12100 -3.82800 H H93 5.97200 -4.52800 -1.59400 H H94 5.12600 -3.93100 -3.93200 H H95 1.02900 0.79200 -2.12700 H H96 0.20600 2.17200 0.32200 H H97 1.42400 3.89600 -1.03600 H H98 0.28300 3.60500 -2.37100 H H99 -1.60400 4.18500 -0.80500 H H100 0.57200 6.30400 -1.11300 H H101 -0.63900 5.87200 -2.34500 H H102 -0.42000 3.65600 1.30800 H H103 0.70000 5.00900 1.02000 H H104 -1.33600 7.88800 -1.08000 H H105 -2.45500 6.53400 -0.79200 H H106 -2.32700 5.24000 1.34100 H H107 -1.11700 5.67100 2.57300 H H108 -0.15200 7.35800 1.03300 H H109 -1.87700 7.67800 1.33100 H H110 -1.98400 2.36800 -0.82500 H H111 -0.62800 1.11900 -3.06800 H H112 -0.70700 -0.39200 -1.09300 H H113 -1.42500 0.28000 0.39100 H H114 -3.93200 -0.68000 -2.82000 H H115 -2.18100 -0.53700 -3.10500 H H116 -1.83100 -2.57900 -1.68400 H H117 -4.87900 -2.69900 -1.79200 H H118 -3.81300 -3.96400 -1.13500 H H119 -3.90400 -2.37500 -0.33900 H H120 -2.00100 -2.75200 -4.15200 H H121 -2.70200 -4.18400 -3.36100 H H122 -3.76800 -2.92000 -4.01900 H H123 -5.18900 -0.83000 -1.60200 H H124 -5.97800 -0.17800 1.13300 H H125 -7.01100 1.38300 -1.27700 H H126 -7.73200 1.44100 0.35000 H H127 -5.57600 2.24100 1.27800 H H128 -4.85500 2.18300 -0.34900 H H129 -6.52600 3.83100 -1.14900 H H130 -7.24800 3.88900 0.47700 H H131 -5.09200 4.68900 1.40500 H H132 -4.37000 4.63100 -0.22100 H H133 -5.13800 6.81900 0.33500 H H134 -6.00500 6.21600 -0.93000 H H135 -6.67300 6.26900 0.57500 H H136 -8.66200 -0.41800 1.10900 H H137 -9.05900 -3.05800 -0.07500 H H138 -10.84800 -1.28800 1.65100 H H139 -11.26400 -2.93600 1.12400 H H140 -9.07600 -0.91000 3.26700 H H141 -10.08200 -4.85900 2.01000 H H142 -7.78400 -1.83700 5.14600 H H143 -8.79000 -5.78600 3.89000 H H144 -7.63600 -4.27500 5.45600 H H145 -11.85100 -2.08300 -2.24300