# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '971' 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 -3.60500 1.80900 -0.16100 1.000 C1 C -2.01700 -1.49700 0.09400 1.000 N2 N -4.79300 1.55100 0.39800 1.000 C3 C -0.65000 -1.31500 0.21100 1.000 C4 C -4.28700 -0.83900 0.20900 1.000 N5 N -2.87800 -0.44400 0.40400 1.000 C6 C -2.57400 0.74300 -0.40600 1.000 C7 C -5.74400 2.65400 0.56000 1.000 C8 C -5.18400 0.22000 0.85400 1.000 O9 O -3.35200 2.94900 -0.48800 1.000 C10 C 0.19500 -2.38000 -0.11000 1.000 C11 C -0.38000 -3.59500 -0.53700 1.000 C12 C -1.76500 -3.68600 -0.62400 1.000 N13 N -2.52300 -2.65600 -0.31200 1.000 N14 N 0.65700 -4.45900 -0.78300 1.000 N15 N 1.86900 -3.81300 -0.51900 1.000 C16 C 1.64400 -2.58400 -0.11800 1.000 C17 C 2.67100 -1.58400 0.25600 1.000 C18 C 3.91900 -2.01100 0.70400 1.000 C19 C 4.87200 -1.06700 1.05200 1.000 C20 C 4.54800 0.27500 0.94000 1.000 C21 C 3.28300 0.63500 0.48600 1.000 N22 N 2.39500 -0.28800 0.15700 1.000 N23 N 2.95100 1.98000 0.37200 1.000 C24 C 1.57700 2.14300 -0.12200 1.000 C25 C 1.22300 3.63200 -0.15800 1.000 N26 N 2.17900 4.33900 -1.02200 1.000 C27 C 3.55300 4.17600 -0.52700 1.000 C28 C 3.90600 2.68700 -0.49200 1.000 H29 H -0.24600 -0.37000 0.54100 1.000 H30 H -4.50400 -0.90900 -0.85700 1.000 H31 H -4.46600 -1.80400 0.68300 1.000 H32 H -2.57800 0.47200 -1.46200 1.000 H33 H -1.58900 1.12400 -0.13500 1.000 H34 H -5.30400 3.57300 0.17300 1.000 H35 H -6.65800 2.42900 0.01000 1.000 H36 H -5.97700 2.78000 1.61700 1.000 H37 H -5.08700 0.16400 1.93800 1.000 H38 H -6.22100 0.03500 0.57500 1.000 H39 H -2.22100 -4.60800 -0.95000 1.000 H40 H 0.56400 -5.37400 -1.09100 1.000 H41 H 4.14100 -3.06500 0.78000 1.000 H42 H 5.84700 -1.37100 1.40200 1.000 H43 H 5.26800 1.03400 1.20800 1.000 H44 H 1.50000 1.72700 -1.12700 1.000 H45 H 0.88700 1.62100 0.54100 1.000 H46 H 0.21500 3.75700 -0.55200 1.000 H47 H 1.27300 4.04200 0.85100 1.000 H48 H 1.93800 5.31500 -1.10500 1.000 H49 H 4.24200 4.69800 -1.19100 1.000 H50 H 3.62900 4.59200 0.47700 1.000 H51 H 4.91500 2.56200 -0.09800 1.000 H52 H 3.85600 2.27800 -1.50100 1.000