# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0DX' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 12.27800 -3.18200 0.48100 1.000 C1 C -12.03900 3.90600 1.06600 1.000 O2 O -0.00100 3.85600 -1.52900 1.000 O3 O -0.04000 -3.98200 1.26700 1.000 O4 O 3.70400 1.44100 -1.19000 1.000 O5 O -3.73900 -1.55200 0.96600 1.000 C6 C -1.66400 1.80400 -0.53700 1.000 C7 C 1.62500 -1.92500 0.28700 1.000 C8 C 5.92500 -2.06600 -0.15100 1.000 C9 C -5.95800 1.96000 -0.05400 1.000 C10 C 3.11300 4.64900 -0.73900 1.000 C11 C -3.15300 -4.76900 0.47300 1.000 C12 C 4.42500 -2.18000 0.12900 1.000 C13 C -4.46100 2.06800 -0.35100 1.000 C14 C 6.63300 -3.32800 0.34400 1.000 C15 C -6.66800 3.22400 -0.54400 1.000 C16 C 3.92800 5.82300 -1.28500 1.000 C17 C -3.96900 -5.94500 1.01400 1.000 C18 C 10.23300 -4.36500 -0.05100 1.000 C19 C 10.15800 -2.01100 0.50900 1.000 C20 C -9.85400 2.93100 1.44300 1.000 C21 C -10.35000 4.00900 -0.66700 1.000 C22 C 5.85800 8.47200 0.57300 1.000 C23 C 3.76500 8.13100 1.68700 1.000 C24 C -5.89800 -8.58500 -0.85700 1.000 C25 C -3.80400 -8.24000 -1.96800 1.000 C26 C 8.75300 -4.49900 0.31600 1.000 C27 C 8.67900 -2.14500 0.87600 1.000 C28 C -8.35700 3.12100 1.18800 1.000 C29 C -8.85300 4.19800 -0.92200 1.000 C30 C 5.36400 7.66000 -0.62800 1.000 C31 C 3.25000 7.31500 0.49800 1.000 C32 C -5.40500 -7.77800 0.34700 1.000 C33 C -3.29000 -7.43000 -0.77500 1.000 C34 C 2.63600 3.77500 -1.90000 1.000 C35 C -2.67700 -3.90000 1.63900 1.000 N36 N 3.74600 -0.97100 -0.34500 1.000 N37 N -3.78200 0.85800 0.11900 1.000 C38 C 2.37500 -0.84400 -0.19900 1.000 C39 C -2.41300 0.72600 -0.04200 1.000 C40 C 0.52500 2.80300 -1.22900 1.000 C41 C -0.56500 -2.92600 0.97300 1.000 C42 C 2.49900 1.51500 -1.04800 1.000 C43 C -2.53600 -1.63100 0.81200 1.000 C44 C -0.29500 1.69400 -0.70600 1.000 C45 C 0.25600 -1.81600 0.45500 1.000 C46 C 1.75100 0.35800 -0.53600 1.000 C47 C -1.78900 -0.47700 0.29100 1.000 C48 C 0.35300 0.48100 -0.36800 1.000 C49 C -0.39100 -0.60000 0.12300 1.000 N50 N 10.83800 -3.29200 0.75000 1.000 N51 N -10.60100 4.01000 0.78100 1.000 O52 O 4.73800 9.07300 1.22800 1.000 O53 O -4.77700 -9.18400 -1.51400 1.000 N54 N 8.07300 -3.21900 0.07500 1.000 N55 N -8.10500 3.12000 -0.26000 1.000 N56 N 4.38600 6.66200 -0.17000 1.000 N57 N -4.42600 -6.78000 -0.10600 1.000 N58 N 1.85500 2.65100 -1.37700 1.000 N59 N -1.89500 -2.77400 1.12100 1.000 H60 H 12.43500 -2.96100 -0.57400 1.000 H61 H 12.70100 -2.38100 1.08700 1.000 H62 H 12.76700 -4.12400 0.73200 1.000 H63 H -12.42700 2.97800 0.64400 1.000 H64 H -12.19700 3.90800 2.14400 1.000 H65 H -12.56000 4.75300 0.62000 1.000 H66 H -2.16100 2.72700 -0.79400 1.000 H67 H 2.12200 -2.84900 0.54200 1.000 H68 H 6.08700 -1.95500 -1.22300 1.000 H69 H 6.32600 -1.19600 0.36900 1.000 H70 H -6.36900 1.09100 -0.56800 1.000 H71 H -6.10900 1.85200 1.02000 1.000 H72 H 3.73400 4.05600 -0.06800 1.000 H73 H 2.24900 5.03000 -0.19300 1.000 H74 H -2.28900 -5.14800 -0.07400 1.000 H75 H -3.77300 -4.17300 -0.19600 1.000 H76 H 4.02300 -3.04900 -0.39100 1.000 H77 H 4.26300 -2.29100 1.20100 1.000 H78 H -4.31000 2.17600 -1.42500 1.000 H79 H -4.05100 2.93800 0.16300 1.000 H80 H 6.47100 -3.43900 1.41600 1.000 H81 H 6.23200 -4.19800 -0.17600 1.000 H82 H -6.25800 4.09300 -0.03000 1.000 H83 H -6.51700 3.33200 -1.61800 1.000 H84 H 4.79200 5.44200 -1.83100 1.000 H85 H 3.30700 6.41600 -1.95600 1.000 H86 H -3.34900 -6.54100 1.68200 1.000 H87 H -4.83300 -5.56600 1.56000 1.000 H88 H 10.74500 -5.30500 0.15500 1.000 H89 H 10.32500 -4.12500 -1.11000 1.000 H90 H 10.25000 -1.74400 -0.54400 1.000 H91 H 10.61600 -1.23500 1.12200 1.000 H92 H -10.17200 1.96900 1.04200 1.000 H93 H -10.04700 2.96000 2.51600 1.000 H94 H -10.90400 4.82400 -1.13200 1.000 H95 H -10.67400 3.05900 -1.09200 1.000 H96 H 6.37600 7.81300 1.26900 1.000 H97 H 6.54000 9.24900 0.23100 1.000 H98 H 2.93400 8.66200 2.15100 1.000 H99 H 4.22200 7.46300 2.41700 1.000 H100 H -6.58100 -9.36400 -0.51900 1.000 H101 H -6.41500 -7.92300 -1.55100 1.000 H102 H -4.26000 -7.56800 -2.69500 1.000 H103 H -2.97300 -8.76900 -2.43400 1.000 H104 H 8.29500 -5.27500 -0.29700 1.000 H105 H 8.66200 -4.76600 1.36900 1.000 H106 H 8.58700 -2.38600 1.93500 1.000 H107 H 8.16700 -1.20500 0.67000 1.000 H108 H -8.03300 4.07000 1.61300 1.000 H109 H -7.80300 2.30600 1.65400 1.000 H110 H -8.66000 4.16900 -1.99400 1.000 H111 H -8.53400 5.16100 -0.52100 1.000 H112 H 4.89300 8.32700 -1.35000 1.000 H113 H 6.20800 7.15400 -1.09700 1.000 H114 H 2.55100 6.55800 0.85100 1.000 H115 H 2.74500 7.97700 -0.20500 1.000 H116 H -6.24900 -7.27300 0.81700 1.000 H117 H -4.93500 -8.44900 1.06700 1.000 H118 H -2.78600 -8.09500 -0.07400 1.000 H119 H -2.59000 -6.67200 -1.12500 1.000 H120 H 2.01500 4.36800 -2.57100 1.000 H121 H 3.50000 3.39400 -2.44600 1.000 H122 H -3.54100 -3.52100 2.18500 1.000 H123 H -2.05700 -4.49600 2.30700 1.000 H124 H 4.25800 -0.25900 -0.76100 1.000 H125 H -4.29100 0.14900 0.54200 1.000