# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0E9' 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 -7.05800 -0.79800 0.37700 1.000 O1 O -7.51100 -0.46500 1.45400 1.000 O2 O -7.88800 -1.05500 -0.65200 1.000 C3 C -9.31100 -0.91400 -0.40100 1.000 C4 C -10.07700 -1.24000 -1.65800 1.000 C5 C -10.48300 -2.53800 -1.90300 1.000 C6 C -11.18600 -2.83700 -3.05500 1.000 C7 C -11.48200 -1.83700 -3.96300 1.000 C8 C -11.07700 -0.53900 -3.71700 1.000 C9 C -10.37800 -0.23900 -2.56300 1.000 N10 N -5.72500 -0.90400 0.20900 1.000 C11 C -4.82100 -0.61800 1.32700 1.000 C12 C -3.47400 -0.20600 0.79100 1.000 O13 O -3.15300 -0.50800 -0.33800 1.000 C14 C -4.66500 -1.87200 2.19000 1.000 C15 C -3.77700 -1.55500 3.39400 1.000 C16 C -6.04100 -2.33000 2.67800 1.000 C17 C -1.00600 2.32600 1.67000 1.000 C18 C -1.36400 0.99100 1.01300 1.000 N19 N -2.62700 0.49700 1.56800 1.000 C20 C -0.25400 -0.02600 1.28800 1.000 O21 O -0.61500 -1.28800 0.72400 1.000 C22 C 1.05100 0.46100 0.65600 1.000 N23 N 2.13600 -0.45800 1.00700 1.000 C24 C 0.89500 0.50800 -0.86500 1.000 C25 C -2.03700 3.36100 1.29700 1.000 C26 C -3.15700 3.53600 2.08800 1.000 C27 C -4.10200 4.48500 1.74600 1.000 C28 C -3.92700 5.25900 0.61400 1.000 C29 C -2.80600 5.08400 -0.17600 1.000 C30 C -1.85900 4.13800 0.16800 1.000 C31 C 2.14400 1.08400 -1.48100 1.000 C32 C 3.18300 0.24800 -1.84500 1.000 C33 C 4.32900 0.77600 -2.41000 1.000 C34 C 4.43600 2.14000 -2.61100 1.000 C35 C 3.39600 2.97500 -2.24700 1.000 C36 C 2.24900 2.44700 -1.68600 1.000 N37 N 5.76400 -0.49500 0.65800 1.000 C38 C 4.53600 -0.99000 1.28500 1.000 C39 C 3.41200 -0.02300 1.01900 1.000 O40 O 3.65400 1.14800 0.81600 1.000 C41 C 4.75000 -1.12100 2.79400 1.000 C42 C 3.49000 -1.69900 3.44000 1.000 C43 C 5.93400 -2.05300 3.06200 1.000 C44 C 6.74000 -1.35900 0.31400 1.000 O45 O 6.60200 -2.54700 0.52400 1.000 O46 O 7.86900 -0.90400 -0.26200 1.000 C47 C 8.87800 -1.89000 -0.60500 1.000 C48 C 10.06100 -1.20100 -1.23500 1.000 C49 C 11.10100 -0.75300 -0.44300 1.000 C50 C 12.18600 -0.12000 -1.02000 1.000 C51 C 12.23100 0.06300 -2.39000 1.000 C52 C 11.19100 -0.38600 -3.18200 1.000 C53 C 10.10800 -1.02300 -2.60500 1.000 H54 H -9.60900 -1.59800 0.39300 1.000 H55 H -9.52800 0.11100 -0.09900 1.000 H56 H -10.25200 -3.31900 -1.19400 1.000 H57 H -11.50200 -3.85200 -3.24700 1.000 H58 H -12.03000 -2.07100 -4.86400 1.000 H59 H -11.30800 0.24200 -4.42700 1.000 H60 H -10.06400 0.77600 -2.36900 1.000 H61 H -5.36300 -1.16900 -0.65100 1.000 H62 H -5.23500 0.18900 1.93100 1.000 H63 H -4.20700 -2.66500 1.59900 1.000 H64 H -4.23800 -0.76600 3.98800 1.000 H65 H -3.66100 -2.45000 4.00600 1.000 H66 H -2.79800 -1.22400 3.04600 1.000 H67 H -6.67400 -2.55600 1.81900 1.000 H68 H -5.93000 -3.22400 3.29200 1.000 H69 H -6.50000 -1.53700 3.26900 1.000 H70 H -0.98800 2.20500 2.75300 1.000 H71 H -0.02500 2.65000 1.32300 1.000 H72 H -1.47000 1.13200 -0.06200 1.000 H73 H -2.85300 0.67700 2.49400 1.000 H74 H -0.11900 -0.13400 2.36400 1.000 H75 H -0.75200 -1.26700 -0.23300 1.000 H76 H 1.28500 1.45800 1.02800 1.000 H77 H 1.93700 -1.38100 1.23100 1.000 H78 H 0.73400 -0.50100 -1.24500 1.000 H79 H 0.04100 1.13400 -1.12300 1.000 H80 H -3.29400 2.93200 2.97200 1.000 H81 H -4.97800 4.62200 2.36400 1.000 H82 H -4.66600 6.00000 0.34700 1.000 H83 H -2.67000 5.68900 -1.06000 1.000 H84 H -0.98200 4.00400 -0.44700 1.000 H85 H 3.10000 -0.81700 -1.68800 1.000 H86 H 5.14100 0.12300 -2.69400 1.000 H87 H 5.33100 2.55200 -3.05200 1.000 H88 H 3.48000 4.04000 -2.40400 1.000 H89 H 1.43500 3.09900 -1.40600 1.000 H90 H 5.87500 0.45400 0.49100 1.000 H91 H 4.28300 -1.96500 0.86800 1.000 H92 H 4.95800 -0.13900 3.21800 1.000 H93 H 3.22000 -2.63000 2.94100 1.000 H94 H 3.67900 -1.89500 4.49600 1.000 H95 H 2.67200 -0.98500 3.34400 1.000 H96 H 6.83200 -1.64000 2.60200 1.000 H97 H 6.08700 -2.14600 4.13700 1.000 H98 H 5.72700 -3.03500 2.63800 1.000 H99 H 9.19800 -2.41100 0.29700 1.000 H100 H 8.45800 -2.60800 -1.31000 1.000 H101 H 11.06600 -0.89600 0.62700 1.000 H102 H 12.99900 0.23100 -0.40200 1.000 H103 H 13.07900 0.55800 -2.84100 1.000 H104 H 11.22600 -0.24300 -4.25200 1.000 H105 H 9.29700 -1.37700 -3.22400 1.000