# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9CJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 1.41900 -1.01000 0.22400 1.000 C1 C 1.77600 -1.84000 -0.58600 1.000 C2 C 3.23000 -1.94700 -0.96500 1.000 C3 C 4.02500 -0.91800 -0.20300 1.000 C4 C 4.56200 -1.23400 1.03100 1.000 C5 C 5.29200 -0.29200 1.73200 1.000 C6 C 5.48600 0.96800 1.20100 1.000 C7 C 4.22100 0.33900 -0.74100 1.000 C8 C 4.94800 1.28800 -0.03700 1.000 O9 O 5.13800 2.52700 -0.56200 1.000 C10 C 5.90200 3.45100 0.21600 1.000 N11 N 0.87100 -2.67100 -1.14200 1.000 C12 C -0.46400 -2.63700 -0.71900 1.000 C13 C -1.04400 -1.43200 -0.35400 1.000 C14 C -2.37200 -1.40000 0.06500 1.000 C15 C -3.11200 -2.58500 0.11600 1.000 O16 O -4.40800 -2.56100 0.52400 1.000 C17 C -2.52200 -3.78400 -0.25100 1.000 C18 C -1.20700 -3.81000 -0.67100 1.000 C19 C -2.99700 -0.11500 0.45700 1.000 N20 N -3.66100 -0.03000 1.60200 1.000 C21 C -4.23400 1.09000 1.99400 1.000 C22 C -4.16700 2.23300 1.22200 1.000 C23 C -3.47700 2.19500 0.00400 1.000 C24 C -2.87800 0.99400 -0.37900 1.000 C25 C -3.38300 3.39900 -0.85400 1.000 O26 O -2.78100 3.34800 -1.90700 1.000 O27 O -3.96400 4.55000 -0.46500 1.000 H28 H 3.59700 -2.94400 -0.72000 1.000 H29 H 3.34000 -1.77200 -2.03500 1.000 H30 H 1.14500 -3.29200 -1.83400 1.000 H31 H 4.41100 -2.21900 1.44800 1.000 H32 H 3.80400 0.58500 -1.70700 1.000 H33 H 5.70900 -0.54200 2.69600 1.000 H34 H 6.05600 1.70400 1.74900 1.000 H35 H 5.97700 4.39900 -0.31600 1.000 H36 H 5.41000 3.61200 1.17600 1.000 H37 H 6.90000 3.04700 0.38300 1.000 H38 H -0.46700 -0.52000 -0.39500 1.000 H39 H -0.75300 -4.74600 -0.96000 1.000 H40 H -3.09400 -4.70000 -0.21200 1.000 H41 H -2.33300 0.92400 -1.30900 1.000 H42 H -4.76500 1.11400 2.93400 1.000 H43 H -4.64100 3.14500 1.55300 1.000 H44 H -3.87500 5.30800 -1.05800 1.000 H45 H -5.04300 -2.42700 -0.19300 1.000