# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BX' 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 -4.52100 0.45200 0.09700 1.000 C1 C -5.99300 0.37500 0.12200 1.000 C2 C -3.88700 1.56200 -0.47000 1.000 C3 C -2.51300 1.63000 -0.49200 1.000 C4 C -1.75400 0.59600 0.05000 1.000 C5 C -2.38200 -0.51000 0.61500 1.000 C6 C -3.75600 -0.58200 0.64600 1.000 N7 N -0.36400 0.66900 0.02600 1.000 C8 C 0.38800 -0.48500 -0.12800 1.000 N9 N -0.23200 -1.63400 -0.35300 1.000 C10 C 0.45200 -2.75800 -0.50600 1.000 C11 C 1.83100 -2.72600 -0.42800 1.000 C12 C 2.45600 -1.50100 -0.19000 1.000 N13 N 1.70800 -0.41100 -0.05100 1.000 N14 N 3.83800 -1.42100 -0.10400 1.000 C15 C 4.46000 -0.17500 0.01300 1.000 C16 C 5.63600 -0.05000 0.74200 1.000 C17 C 6.24800 1.18300 0.85600 1.000 C18 C 5.69100 2.29200 0.24600 1.000 C19 C 4.52000 2.17100 -0.48000 1.000 C20 C 3.90600 0.94000 -0.60300 1.000 O21 O -6.60200 -0.69500 0.66900 1.000 O22 O -6.65600 1.27600 -0.35100 1.000 H23 H -4.47500 2.36400 -0.89100 1.000 H24 H -2.02200 2.48700 -0.93000 1.000 H25 H -1.79000 -1.30800 1.03900 1.000 H26 H -4.24200 -1.44100 1.08500 1.000 H27 H 0.07900 1.52700 0.11700 1.000 H28 H -0.06300 -3.69000 -0.68900 1.000 H29 H 2.41200 -3.62900 -0.54500 1.000 H30 H 4.37200 -2.23000 -0.12500 1.000 H31 H 6.07100 -0.91500 1.21900 1.000 H32 H 7.16200 1.28100 1.42200 1.000 H33 H 6.17100 3.25500 0.33700 1.000 H34 H 4.08800 3.03900 -0.95500 1.000 H35 H 2.99200 0.84600 -1.17000 1.000 H36 H -7.56900 -0.70100 0.66200 1.000