# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9J0' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 8.37200 -0.59400 -1.16000 1.000 C1 C 7.79900 0.14700 -0.38500 1.000 N2 N 8.50100 1.04500 0.33300 1.000 C3 C 6.33200 0.06600 -0.23500 1.000 C4 C 5.60200 -0.86100 -0.98300 1.000 C5 C 4.23400 -0.93400 -0.84100 1.000 C6 C 3.44600 -1.93300 -1.64700 1.000 C7 C 5.67200 0.91300 0.65900 1.000 C8 C 4.30500 0.83500 0.79700 1.000 C9 C 3.58000 -0.08500 0.04600 1.000 N10 N 2.19300 -0.16100 0.18700 1.000 N11 N 1.46000 -1.33800 0.36600 1.000 C12 C 0.19000 -1.06300 0.46500 1.000 C13 C -0.92300 -2.06000 0.66400 1.000 C14 C -0.81000 -3.16700 -0.38600 1.000 C15 C -0.81600 -2.67100 2.06300 1.000 C16 C 0.03900 0.38200 0.34700 1.000 C17 C 1.33300 0.90800 0.17900 1.000 N18 N 1.50600 2.21700 0.04500 1.000 C19 C 0.49100 3.05600 0.06300 1.000 C20 C -0.81200 2.61600 0.22400 1.000 C21 C -1.06000 1.25900 0.37500 1.000 N22 N -2.36100 0.77800 0.53900 1.000 C23 C -2.81900 0.02800 1.57700 1.000 N24 N -4.08200 -0.23000 1.38500 1.000 C25 C -3.41700 0.97900 -0.31300 1.000 C26 C -4.48200 0.33600 0.22800 1.000 C27 C -5.85000 0.27400 -0.34800 1.000 C28 C -6.24900 0.77800 -1.60000 1.000 N29 N -7.52400 0.53200 -1.75100 1.000 C30 C -6.94600 -0.28800 0.23800 1.000 N31 N -7.98600 -0.13300 -0.60900 1.000 C32 C -9.35800 -0.59000 -0.37600 1.000 H33 H 9.46400 1.10100 0.23100 1.000 H34 H 8.04400 1.63600 0.95100 1.000 H35 H 6.11000 -1.52000 -1.67200 1.000 H36 H 3.43500 -2.89200 -1.12700 1.000 H37 H 2.42400 -1.57600 -1.77000 1.000 H38 H 3.90800 -2.05600 -2.62600 1.000 H39 H 6.23400 1.62700 1.24200 1.000 H40 H 3.79400 1.48900 1.48800 1.000 H41 H -1.88400 -1.55700 0.56000 1.000 H42 H 0.15200 -3.67000 -0.28200 1.000 H43 H -1.61500 -3.88800 -0.24200 1.000 H44 H -0.88600 -2.73200 -1.38200 1.000 H45 H -1.62000 -3.39200 2.20700 1.000 H46 H 0.14600 -3.17400 2.16700 1.000 H47 H -0.89600 -1.88200 2.81100 1.000 H48 H 0.68000 4.11300 -0.05000 1.000 H49 H -1.62800 3.32400 0.23600 1.000 H50 H -2.23200 -0.29900 2.42300 1.000 H51 H -3.40200 1.53700 -1.23800 1.000 H52 H -5.61200 1.28100 -2.31300 1.000 H53 H -6.97700 -0.76700 1.20600 1.000 H54 H -9.92400 0.19700 0.12200 1.000 H55 H -9.82900 -0.82700 -1.33100 1.000 H56 H -9.34300 -1.48100 0.25200 1.000