# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0H3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.07700 1.66900 -1.15700 1.000 C1 C 7.77300 -3.18900 -0.17600 1.000 N2 N -0.79700 -1.98900 0.53100 1.000 C3 C -1.79700 -1.24500 0.06300 1.000 C4 C 0.45800 -1.59700 0.47300 1.000 C5 C 0.77800 -0.36400 -0.09200 1.000 C6 C -0.97200 2.53800 -1.69700 1.000 C7 C -4.23900 -1.04100 -0.41300 1.000 C8 C -4.77200 -3.37800 0.89800 1.000 C9 C -1.56200 -0.00200 -0.51700 1.000 N10 N -5.47500 -1.49000 -0.33300 1.000 C11 C -3.18700 -1.75000 0.16100 1.000 C12 C 0.39400 6.15700 1.18400 1.000 C13 C -3.46100 -2.94800 0.83300 1.000 O14 O 5.52300 -2.32500 0.00100 1.000 C15 C 6.39800 -3.34800 0.47800 1.000 C16 C 5.54200 -1.13100 0.78600 1.000 C17 C 5.82100 -4.72000 0.12300 1.000 C18 C 4.57300 -0.11000 0.18600 1.000 N19 N 3.20300 -0.61900 0.28900 1.000 C20 C -0.25500 0.45400 -0.60000 1.000 C21 C 1.36500 2.05800 -1.20900 1.000 N22 N 2.36600 1.31400 -0.74100 1.000 C23 C 2.15700 0.12800 -0.18600 1.000 O24 O 1.62700 3.13900 -1.70800 1.000 C25 C -1.48000 3.47000 -0.59600 1.000 O26 O -0.43000 4.35100 -0.19500 1.000 C27 C -0.80200 5.26800 0.83600 1.000 C28 C -0.00500 7.14000 2.28700 1.000 C29 C -5.76600 -2.62000 0.29000 1.000 O30 O -7.05500 -3.04000 0.34600 1.000 C31 C -8.03400 -2.21300 -0.28700 1.000 H32 H 8.44100 -3.97000 0.18800 1.000 H33 H 7.67200 -3.27200 -1.25800 1.000 H34 H 8.18400 -2.21200 0.07700 1.000 H35 H 1.24000 -2.23000 0.86500 1.000 H36 H -0.56600 3.13100 -2.51600 1.000 H37 H -1.79600 1.92600 -2.06500 1.000 H38 H -4.03900 -0.11600 -0.93300 1.000 H39 H -5.02000 -4.29800 1.40800 1.000 H40 H -2.38000 0.59400 -0.89500 1.000 H41 H 1.21900 5.53600 1.53100 1.000 H42 H 0.70400 6.71200 0.29800 1.000 H43 H -2.66800 -3.51700 1.29600 1.000 H44 H 6.49900 -3.26500 1.56000 1.000 H45 H 5.24000 -1.36200 1.80700 1.000 H46 H 6.55000 -0.71500 0.79100 1.000 H47 H 6.48900 -5.50000 0.48700 1.000 H48 H 4.84200 -4.83300 0.58900 1.000 H49 H 5.72000 -4.80300 -0.95900 1.000 H50 H 4.65200 0.83100 0.73100 1.000 H51 H 4.82100 0.05500 -0.86200 1.000 H52 H 3.03600 -1.48500 0.69300 1.000 H53 H -2.32000 4.05400 -0.97300 1.000 H54 H -1.80500 2.87800 0.26000 1.000 H55 H -1.11200 4.71400 1.72100 1.000 H56 H -1.62700 5.89000 0.48800 1.000 H57 H 0.84700 7.77300 2.53500 1.000 H58 H -0.83100 7.76100 1.94000 1.000 H59 H -0.31500 6.58500 3.17300 1.000 H60 H -8.02800 -1.22500 0.17400 1.000 H61 H -7.80200 -2.12100 -1.34800 1.000 H62 H -9.02000 -2.66300 -0.16800 1.000