# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '06J' 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 -2.38000 3.62400 0.58100 1.000 C1 C -2.19400 2.14800 0.33500 1.000 C2 C -1.05400 1.43900 0.47200 1.000 N3 N -1.29100 0.12700 0.14200 1.000 C4 C -2.57600 -0.03600 -0.19800 1.000 C5 C -3.21200 1.19800 -0.07900 1.000 C6 C -4.64000 1.36600 -0.34200 1.000 O7 O -5.17700 2.45400 -0.24800 1.000 C8 C -5.43700 0.14200 -0.73600 1.000 C9 C -4.79000 -1.13300 -0.20400 1.000 C10 C -3.33300 -1.25300 -0.66400 1.000 C11 C -4.84600 -1.13700 1.32500 1.000 C12 C -5.57400 -2.34100 -0.72800 1.000 C13 C -0.31900 -0.87400 0.12600 1.000 C14 C -0.62200 -2.17100 0.53900 1.000 C15 C 0.33700 -3.14200 0.52700 1.000 C16 C 1.64700 -2.84700 0.12600 1.000 C17 C 1.96800 -1.54100 -0.26700 1.000 C18 C 0.97400 -0.57100 -0.26600 1.000 N19 N 3.25800 -1.17800 -0.64900 1.000 C20 C 3.48100 0.18000 -1.16600 1.000 C21 C 3.62900 1.17700 -0.01700 1.000 C22 C 5.03900 1.09400 0.56000 1.000 C23 C 5.77300 2.33800 0.03600 1.000 C24 C 4.64500 3.33100 -0.24500 1.000 N25 N 3.40800 2.55100 -0.56800 1.000 C26 C 2.36800 3.16200 0.33400 1.000 C27 C 0.97800 2.76500 -0.15800 1.000 C28 C 0.25900 1.99800 0.95000 1.000 C29 C 2.66000 -3.91600 0.12400 1.000 O30 O 3.80000 -3.67300 -0.22100 1.000 N31 N 2.32300 -5.16400 0.50600 1.000 H32 H -2.18700 4.17300 -0.34100 1.000 H33 H -3.40300 3.81200 0.90700 1.000 H34 H -1.68500 3.95400 1.35300 1.000 H35 H -6.44800 0.22700 -0.32900 1.000 H36 H -5.50000 0.08800 -1.82400 1.000 H37 H -3.30300 -1.30000 -1.75600 1.000 H38 H -2.89400 -2.15800 -0.25500 1.000 H39 H -5.88500 -1.09600 1.65000 1.000 H40 H -4.38200 -2.04900 1.70200 1.000 H41 H -4.30900 -0.27100 1.71100 1.000 H42 H -5.55200 -2.34300 -1.81800 1.000 H43 H -5.12000 -3.25900 -0.35400 1.000 H44 H -6.60700 -2.28100 -0.38600 1.000 H45 H -1.61300 -2.41000 0.89400 1.000 H46 H 0.08600 -4.14900 0.82900 1.000 H47 H 1.21200 0.43200 -0.58700 1.000 H48 H 4.00700 -1.79000 -0.57700 1.000 H49 H 4.39400 0.18600 -1.76500 1.000 H50 H 2.64400 0.47100 -1.79800 1.000 H51 H 2.88700 0.98600 0.75100 1.000 H52 H 5.00700 1.11000 1.64900 1.000 H53 H 5.54000 0.19100 0.21300 1.000 H54 H 6.44900 2.72700 0.79700 1.000 H55 H 6.31900 2.10300 -0.87700 1.000 H56 H 4.44400 3.93800 0.63300 1.000 H57 H 4.88600 3.95400 -1.10000 1.000 H58 H 2.53800 2.79500 1.33800 1.000 H59 H 2.48700 4.24000 0.28700 1.000 H60 H 0.41200 3.66700 -0.40200 1.000 H61 H 1.06100 2.14900 -1.05100 1.000 H62 H 0.08000 2.66900 1.79300 1.000 H63 H 0.89500 1.18000 1.29400 1.000 H64 H 1.41400 -5.35800 0.78200 1.000 H65 H 2.99000 -5.86800 0.50500 1.000