# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J0J' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -6.70200 2.21600 1.72000 1.000 C1 C -6.04000 1.78800 0.48000 1.000 C2 C -7.02400 1.89500 -0.68700 1.000 C3 C -5.58100 0.36000 0.62200 1.000 O4 O -6.07700 -0.35500 1.46600 1.000 N5 N -4.62000 -0.12300 -0.19000 1.000 C6 C -4.17400 -1.51200 -0.05200 1.000 C7 C -5.08900 -2.41400 -0.83900 1.000 O8 O -6.01800 -1.94400 -1.45200 1.000 C9 C -2.74600 -1.64400 -0.58500 1.000 C10 C -1.79600 -0.82500 0.29200 1.000 C11 C -0.38900 -0.95600 -0.23200 1.000 O12 O -0.16800 -1.63600 -1.21100 1.000 O13 O -4.87200 -3.73800 -0.85900 1.000 C14 C 2.62400 -1.68700 0.44100 1.000 C15 C 1.99000 -0.44200 -0.12400 1.000 C16 C 2.80700 0.78100 0.29700 1.000 C17 C 2.23700 2.03100 -0.37800 1.000 C18 C 3.05400 3.25500 0.04200 1.000 C19 C 2.48400 4.50400 -0.63300 1.000 C20 C 3.36100 5.68900 -0.31700 1.000 O21 O 1.99500 -2.39900 1.19600 1.000 O22 O 3.03700 6.46600 0.54900 1.000 O23 O 4.50100 5.88100 -0.99900 1.000 N24 N 0.62300 -0.31500 0.38600 1.000 N25 N 1.12500 4.75400 -0.13400 1.000 N26 N 3.88900 -2.01000 0.10800 1.000 C27 C 4.50500 -3.22100 0.65800 1.000 C28 C 5.10200 -2.91100 2.03200 1.000 C29 C 5.59600 -3.69400 -0.26800 1.000 O30 O 5.83400 -3.08300 -1.28300 1.000 O31 O 6.30200 -4.79400 0.03500 1.000 H32 H -7.50400 1.63700 1.91900 1.000 H33 H -6.05400 2.21600 2.49400 1.000 H34 H -5.17900 2.42900 0.28800 1.000 H35 H -7.88500 1.25400 -0.49500 1.000 H36 H -7.35600 2.92800 -0.78900 1.000 H37 H -6.53300 1.57800 -1.60700 1.000 H38 H -4.22300 0.44900 -0.86500 1.000 H39 H -4.19700 -1.79800 0.99900 1.000 H40 H -2.44600 -2.69200 -0.56400 1.000 H41 H -2.70400 -1.27400 -1.60900 1.000 H42 H -2.09600 0.22300 0.27200 1.000 H43 H -1.83700 -1.19500 1.31700 1.000 H44 H -5.48500 -4.27600 -1.37800 1.000 H45 H 1.96700 -0.50800 -1.21200 1.000 H46 H 2.75600 0.89800 1.37900 1.000 H47 H 3.84500 0.64600 -0.00600 1.000 H48 H 2.28800 1.91400 -1.46100 1.000 H49 H 1.19900 2.16600 -0.07600 1.000 H50 H 3.00300 3.37100 1.12500 1.000 H51 H 4.09200 3.12000 -0.26000 1.000 H52 H 2.45300 4.35200 -1.71200 1.000 H53 H 5.03000 6.65500 -0.76200 1.000 H54 H 0.44500 0.22900 1.16900 1.000 H55 H 0.50300 4.00200 -0.38900 1.000 H56 H 1.12800 4.89800 0.86500 1.000 H57 H 4.39200 -1.44100 -0.49500 1.000 H58 H 3.74900 -4.00000 0.75700 1.000 H59 H 5.56000 -3.81100 2.44100 1.000 H60 H 5.85700 -2.13100 1.93300 1.000 H61 H 4.31200 -2.56800 2.70200 1.000 H62 H 6.99200 -5.05900 -0.59000 1.000