# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJO' 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 0.82300 1.94800 -1.61100 1.000 C1 C 1.52500 2.09400 -0.32900 1.000 C2 C 0.82200 3.15500 0.52000 1.000 C3 C 0.72200 4.45900 -0.27400 1.000 O4 O -0.49100 2.70200 0.85700 1.000 C5 C 1.51400 0.75700 0.41400 1.000 N6 N 0.12700 0.25200 0.53400 1.000 N7 N 2.25200 -0.25400 -0.35400 1.000 C8 C 1.38100 -1.05600 -0.99800 1.000 O9 O 1.67400 -1.98500 -1.72100 1.000 C10 C -0.02500 -0.60400 -0.66700 1.000 C11 C 3.71100 -0.37200 -0.41200 1.000 C12 C 4.18500 -1.28300 0.69100 1.000 O13 O 5.49500 -1.54000 0.83200 1.000 C14 C -0.91200 -1.81000 -0.35200 1.000 C15 C -2.32500 -1.34500 -0.11000 1.000 C16 C -3.21300 -1.25900 -1.16600 1.000 C17 C -2.73200 -1.01000 1.16800 1.000 C18 C -4.50900 -0.83300 -0.94700 1.000 C19 C -4.02700 -0.58400 1.39200 1.000 C20 C -4.91900 -0.49100 0.33300 1.000 O21 O -6.19300 -0.07200 0.55100 1.000 O22 O 3.38600 -1.78300 1.44700 1.000 H23 H -0.13500 1.66500 -1.46800 1.000 H24 H 0.87200 2.80000 -2.14900 1.000 H25 H 2.55500 2.40000 -0.51200 1.000 H26 H 1.39200 3.32800 1.43200 1.000 H27 H 0.15200 4.28700 -1.18600 1.000 H28 H 0.22100 5.21500 0.33100 1.000 H29 H 1.72300 4.80500 -0.53100 1.000 H30 H -1.05600 2.52800 0.09200 1.000 H31 H -0.44300 -0.02900 -1.49300 1.000 H32 H 4.00400 -0.78500 -1.37700 1.000 H33 H 4.16000 0.61300 -0.28700 1.000 H34 H 5.75100 -2.13100 1.55400 1.000 H35 H -0.89600 -2.50300 -1.19400 1.000 H36 H -0.53800 -2.31400 0.54000 1.000 H37 H -2.89400 -1.52500 -2.16300 1.000 H38 H -2.03800 -1.08200 1.99200 1.000 H39 H -5.20200 -0.76500 -1.77300 1.000 H40 H -4.34500 -0.32300 2.39100 1.000 H41 H -6.31100 0.88500 0.47700 1.000 H42 H 1.95700 0.87400 1.40300 1.000 H43 H 0.01000 -0.28600 1.37900 1.000