# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0V3' 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 3.64400 -2.36300 0.44900 1.000 C1 C 4.37600 -1.22500 0.33600 1.000 C2 C 5.74600 -1.32200 -0.01500 1.000 C3 C 6.52500 -0.17300 -0.13900 1.000 C4 C 5.95400 1.06300 0.08300 1.000 N5 N 6.44200 2.36300 0.04100 1.000 C6 C 5.40600 3.19400 0.35500 1.000 N7 N 5.48700 4.56600 0.42100 1.000 C8 C 6.75800 5.24000 0.14200 1.000 N9 N 4.32300 2.49200 0.58400 1.000 C10 C 4.59100 1.17000 0.43300 1.000 C11 C 3.80800 0.02300 0.55800 1.000 C12 C 2.35200 0.13700 0.93200 1.000 C13 C 1.50800 0.26300 -0.33700 1.000 N14 N 0.08900 0.37400 0.02700 1.000 C15 C -0.75400 0.49700 -1.16900 1.000 C16 C -2.22100 0.61000 -0.75000 1.000 C17 C -2.66100 -0.69200 -0.07700 1.000 C18 C -4.12800 -0.57900 0.34200 1.000 C19 C -4.99400 -0.32600 -0.89400 1.000 C20 C -6.40500 -0.21700 -0.49100 1.000 C21 C -7.53100 -0.13000 -0.16900 1.000 C22 C -4.55400 0.97600 -1.56700 1.000 C23 C -3.08700 0.86300 -1.98600 1.000 C24 C 6.31000 -2.65900 -0.24200 1.000 O25 O 7.47900 -2.80600 -0.54600 1.000 N26 N 5.48300 -3.72000 -0.10100 1.000 C27 C 4.17300 -3.54100 0.24100 1.000 N28 N 3.37400 -4.64900 0.37200 1.000 H29 H 7.56800 -0.24900 -0.40700 1.000 H30 H 7.35100 2.63000 -0.17100 1.000 H31 H 4.70200 5.08800 0.65200 1.000 H32 H 7.51300 4.89700 0.84900 1.000 H33 H 7.07800 5.00600 -0.87300 1.000 H34 H 6.62800 6.31700 0.24300 1.000 H35 H 2.04800 -0.75300 1.48400 1.000 H36 H 2.20500 1.01900 1.55600 1.000 H37 H 1.81200 1.15300 -0.88900 1.000 H38 H 1.65500 -0.61900 -0.96100 1.000 H39 H -0.06300 1.14700 0.65800 1.000 H40 H -0.46600 1.38800 -1.72700 1.000 H41 H -0.62300 -0.38300 -1.79800 1.000 H42 H -2.33600 1.43800 -0.05000 1.000 H43 H -2.54600 -1.51900 -0.77700 1.000 H44 H -2.04400 -0.87200 0.80300 1.000 H45 H -4.44100 -1.50600 0.82100 1.000 H46 H -4.24300 0.24900 1.04200 1.000 H47 H -4.87800 -1.15300 -1.59400 1.000 H48 H -5.17000 1.15700 -2.44700 1.000 H49 H -4.66900 1.80400 -0.86700 1.000 H50 H -2.77300 1.79100 -2.46500 1.000 H51 H -2.97100 0.03600 -2.68600 1.000 H52 H 2.44000 -4.54800 0.61400 1.000 H53 H 3.74300 -5.53400 0.22300 1.000 C54 C -8.90400 -0.02500 0.22300 1.000 C55 C -9.89800 0.20700 -0.72800 1.000 N56 N -11.16100 0.30500 -0.36800 1.000 C57 C -11.53600 0.18900 0.89200 1.000 C58 C -10.61200 -0.04200 1.89400 1.000 C59 C -9.27200 -0.15800 1.56700 1.000 H60 H -9.62900 0.30800 -1.77000 1.000 H61 H -12.58300 0.27500 1.14400 1.000 H62 H -10.93300 -0.13400 2.92100 1.000 H63 H -8.52900 -0.33800 2.32900 1.000 H64 H 5.82400 -4.61700 -0.24400 1.000