# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CNO' 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 1.29300 0.74200 11.35700 1.000 O1 O 1.08800 0.17000 12.55300 1.000 O2 O 1.91000 1.77900 11.28100 1.000 C3 C 0.75600 0.09300 10.10800 1.000 C4 C -0.76600 -0.01900 10.20700 1.000 C5 C 1.36200 -1.30300 9.95800 1.000 O6 O 1.10200 0.88700 8.97100 1.000 C7 C 0.52600 0.29700 7.89000 1.000 C8 C -0.73900 0.68800 7.47800 1.000 C9 C -1.32200 0.08700 6.37900 1.000 C10 C 1.20500 -0.69100 7.19400 1.000 C11 C 0.61600 -1.29300 6.09900 1.000 C12 C -0.64500 -0.90200 5.69100 1.000 C13 C -1.28400 -1.55600 4.49300 1.000 C14 C -0.91800 -0.79000 3.24800 1.000 O15 O -0.20800 0.19000 3.32500 1.000 N16 N -1.37900 -1.19400 2.04700 1.000 C17 C -0.95300 -0.55000 0.88100 1.000 C18 C -1.82100 -0.41400 -0.19300 1.000 C19 C 0.33900 -0.05000 0.79500 1.000 C20 C 0.76000 0.58600 -0.35600 1.000 C21 C -0.10200 0.72800 -1.42500 1.000 C22 C -1.39700 0.23000 -1.34600 1.000 N23 N -2.27000 0.37500 -2.42900 1.000 C24 C -1.79400 0.33200 -3.68900 1.000 O25 O -0.62500 0.07500 -3.88700 1.000 C26 C -2.71300 0.60300 -4.85200 1.000 C27 C -1.94000 0.49400 -6.14000 1.000 C28 C -1.85200 -0.72200 -6.79200 1.000 C29 C -1.14300 -0.82500 -7.97300 1.000 C30 C -1.32300 1.61100 -6.67200 1.000 C31 C -0.60900 1.51300 -7.85100 1.000 C32 C -0.51900 0.29300 -8.50600 1.000 O33 O 0.17700 0.19500 -9.66800 1.000 C34 C 1.50700 -0.19400 -9.32000 1.000 C35 C 2.07800 0.79300 -8.30100 1.000 C36 C 1.48400 -1.59800 -8.71100 1.000 C37 C 2.37000 -0.19700 -10.55600 1.000 O38 O 1.89400 0.10400 -11.62500 1.000 O39 O 3.66600 -0.53400 -10.46900 1.000 H40 H 1.43300 0.58600 13.35500 1.000 H41 H -1.19800 0.97500 10.31200 1.000 H42 H -1.15500 -0.49000 9.30400 1.000 H43 H -1.03000 -0.62400 11.07400 1.000 H44 H 2.44900 -1.22800 9.95000 1.000 H45 H 1.04600 -1.92800 10.79400 1.000 H46 H 1.02100 -1.74800 9.02300 1.000 H47 H -1.26800 1.46000 8.01600 1.000 H48 H -2.30700 0.39000 6.05800 1.000 H49 H 2.19100 -0.99600 7.51300 1.000 H50 H 1.14200 -2.06600 5.56000 1.000 H51 H -0.92700 -2.58200 4.40600 1.000 H52 H -2.36700 -1.55700 4.61300 1.000 H53 H -2.00600 -1.93200 1.99300 1.000 H54 H -2.82700 -0.80200 -0.12800 1.000 H55 H 1.01600 -0.15900 1.62900 1.000 H56 H 1.76600 0.97400 -0.42000 1.000 H57 H 0.22900 1.22600 -2.32400 1.000 H58 H -3.21900 0.50500 -2.27300 1.000 H59 H -3.52400 -0.12500 -4.85200 1.000 H60 H -3.12800 1.60700 -4.76100 1.000 H61 H -2.33700 -1.59300 -6.37600 1.000 H62 H -1.07400 -1.77500 -8.48100 1.000 H63 H -1.39400 2.56100 -6.16200 1.000 H64 H -0.12500 2.38500 -8.26400 1.000 H65 H 1.99700 1.80700 -8.69400 1.000 H66 H 1.51900 0.71900 -7.36900 1.000 H67 H 3.12600 0.55900 -8.11600 1.000 H68 H 0.96800 -2.27900 -9.38800 1.000 H69 H 2.50600 -1.94300 -8.55700 1.000 H70 H 0.96100 -1.57000 -7.75500 1.000 H71 H 4.21900 -0.53500 -11.26200 1.000