# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0QJ' 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 7.87900 2.56600 -1.83600 1.000 C1 C 6.62800 1.27200 -0.40700 1.000 C2 C 7.34700 1.79700 0.68000 1.000 C3 C 8.35200 2.74300 0.41700 1.000 C4 C 5.90400 0.38900 1.48000 1.000 C5 C -10.55200 2.05100 -1.96100 1.000 C6 C -10.51200 0.98700 -0.86200 1.000 C7 C -11.47500 1.37700 0.26100 1.000 C8 C -10.92900 -0.36400 -1.44500 1.000 C9 C -9.11200 0.88600 -0.31200 1.000 C10 C -8.42300 -0.30900 -0.39500 1.000 C11 C -7.14000 -0.40500 0.10800 1.000 C12 C -8.51900 1.99100 0.27000 1.000 C13 C -7.23600 1.90200 0.77500 1.000 C14 C -6.54300 0.70100 0.69800 1.000 N15 N -5.24300 0.60800 1.20900 1.000 C16 C -4.34200 -0.19800 0.61400 1.000 O17 O -4.62800 -0.77200 -0.41900 1.000 N18 N -3.12400 -0.36900 1.16400 1.000 C19 C -2.14300 -1.24500 0.51800 1.000 C20 C -0.85400 -1.26200 1.34100 1.000 C21 C 0.17000 -2.17700 0.66500 1.000 N22 N 1.40800 -2.19400 1.45500 1.000 C23 C 1.18900 -2.82200 2.76500 1.000 C24 C 2.49000 -2.86600 0.72400 1.000 C25 C 3.02400 -1.93500 -0.36600 1.000 O26 O 3.64500 -0.78500 0.23300 1.000 C27 C 4.10500 -2.66000 -1.19200 1.000 O28 O 3.71700 -2.73700 -2.56500 1.000 C29 C 5.36300 -1.77300 -1.03200 1.000 O30 O 6.06700 -1.65900 -2.27100 1.000 C31 C 4.75000 -0.41200 -0.61700 1.000 N32 N 5.72600 0.38800 0.12800 1.000 N33 N 6.85600 1.21700 1.80100 1.000 N34 N 6.92600 1.68200 -1.63600 1.000 N35 N 8.58200 3.08800 -0.84600 1.000 N36 N 9.09300 3.29500 1.44700 1.000 H37 H 8.09900 2.87500 -2.84700 1.000 H38 H 5.33900 -0.20700 2.18000 1.000 H39 H -9.86600 1.77300 -2.76100 1.000 H40 H -11.56400 2.12400 -2.35900 1.000 H41 H -10.25500 3.01400 -1.54500 1.000 H42 H -12.48700 1.44900 -0.13700 1.000 H43 H -11.44600 0.61800 1.04400 1.000 H44 H -11.17700 2.33900 0.67700 1.000 H45 H -10.24300 -0.64200 -2.24600 1.000 H46 H -10.90000 -1.12300 -0.66300 1.000 H47 H -11.94100 -0.29200 -1.84300 1.000 H48 H -8.88800 -1.16900 -0.85400 1.000 H49 H -6.60200 -1.33900 0.04200 1.000 H50 H -9.05800 2.92500 0.33000 1.000 H51 H -6.77300 2.76600 1.22900 1.000 H52 H -4.99200 1.12300 1.99100 1.000 H53 H -2.89500 0.08900 1.98900 1.000 H54 H -2.54700 -2.25500 0.45300 1.000 H55 H -1.93000 -0.87300 -0.48500 1.000 H56 H -0.45100 -0.25200 1.40600 1.000 H57 H -1.06700 -1.63300 2.34300 1.000 H58 H -0.23300 -3.18800 0.60000 1.000 H59 H 0.38300 -1.80600 -0.33700 1.000 H60 H 0.75800 -3.81300 2.62500 1.000 H61 H 2.14000 -2.90900 3.29000 1.000 H62 H 0.50500 -2.20900 3.35200 1.000 H63 H 3.29600 -3.11600 1.41500 1.000 H64 H 2.10800 -3.77900 0.26700 1.000 H65 H 2.20800 -1.61900 -1.01600 1.000 H66 H 4.28500 -3.65800 -0.79100 1.000 H67 H 4.36100 -3.18400 -3.13100 1.000 H68 H 6.01600 -2.16100 -0.25100 1.000 H69 H 6.39200 -2.50100 -2.61800 1.000 H70 H 4.39500 0.13500 -1.49000 1.000 H71 H 8.92100 3.03000 2.36400 1.000 H72 H 9.78400 3.94700 1.25200 1.000