# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HJ' 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 -1.97500 -0.13500 0.16600 1.000 C1 C -0.91300 0.78500 -0.00900 1.000 C2 C 0.40800 0.27900 -0.08000 1.000 C3 C -2.96100 -5.59600 -0.71600 1.000 N4 N 0.58800 -1.03000 0.02100 1.000 N5 N -1.68800 -1.44400 0.25700 1.000 C6 C 1.19200 -3.71200 0.20600 1.000 C7 C -0.43800 -1.86000 0.18500 1.000 C8 C -5.84200 1.17900 0.37100 1.000 C9 C -1.62100 4.79800 -0.30300 1.000 C10 C 7.07400 0.48000 0.27800 1.000 C11 C -3.29100 0.33700 0.23400 1.000 C12 C -1.18600 2.15500 -0.10700 1.000 C13 C -1.80400 -4.61300 -0.90500 1.000 C14 C -1.29300 -4.15800 0.46400 1.000 C15 C 3.39800 0.41500 1.09400 1.000 C16 C 3.73700 1.55200 -1.10100 1.000 C17 C 4.83900 -0.09300 1.01300 1.000 C18 C 5.16900 1.01000 -1.11900 1.000 C19 C -3.53300 1.69000 0.13500 1.000 C20 C -2.47600 2.59500 -0.03300 1.000 C21 C 2.84100 0.58600 -0.32100 1.000 N22 N -0.18500 -3.21700 0.28300 1.000 N23 N 1.48200 1.12900 -0.25000 1.000 N24 N 5.65600 0.86600 0.25900 1.000 O25 O -4.80900 2.15100 0.20000 1.000 O26 O -2.74000 3.92600 -0.12800 1.000 H27 H -2.61400 -6.46200 -0.15100 1.000 H28 H -3.76800 -5.10700 -0.17000 1.000 H29 H -3.32500 -5.92000 -1.69000 1.000 H30 H 1.62300 -3.74400 1.20700 1.000 H31 H 1.19400 -4.71400 -0.22300 1.000 H32 H 1.78300 -3.04600 -0.42300 1.000 H33 H -5.82600 0.48000 -0.46500 1.000 H34 H -5.68000 0.63500 1.30200 1.000 H35 H -6.81000 1.67900 0.40700 1.000 H36 H -0.94300 4.69300 0.54400 1.000 H37 H -1.09700 4.53600 -1.22300 1.000 H38 H -1.97000 5.82900 -0.36400 1.000 H39 H 7.66500 1.24500 -0.22400 1.000 H40 H 7.40900 0.38000 1.31000 1.000 H41 H 7.19800 -0.47200 -0.23800 1.000 H42 H -4.11100 -0.35400 0.36300 1.000 H43 H -0.37900 2.86100 -0.24000 1.000 H44 H -0.99700 -5.10200 -1.45000 1.000 H45 H -2.15100 -3.74700 -1.46900 1.000 H46 H -2.10000 -3.66900 1.00900 1.000 H47 H -0.94500 -5.02400 1.02800 1.000 H48 H 2.78900 -0.30400 1.64100 1.000 H49 H 3.38000 1.37500 1.61100 1.000 H50 H 3.72400 2.53000 -0.61900 1.000 H51 H 3.37000 1.64500 -2.12300 1.000 H52 H 5.24400 -0.20200 2.01900 1.000 H53 H 4.85600 -1.05900 0.50900 1.000 H54 H 5.18300 0.03900 -1.61300 1.000 H55 H 5.81300 1.70300 -1.66200 1.000 H56 H 2.82200 -0.38000 -0.82500 1.000 H57 H 1.33700 2.08500 -0.32300 1.000