# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CPJ' 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 8.74900 -2.57800 -0.85200 1.000 C1 C 8.12000 -1.94800 0.15200 1.000 O2 O 8.00800 -2.48700 1.22800 1.000 C3 C 7.55200 -0.56800 -0.06200 1.000 O4 O 7.04900 -0.06700 1.17400 1.000 C5 C 6.73800 1.31300 0.97500 1.000 C6 C 8.65700 0.36000 -0.57300 1.000 O7 O 6.50800 -0.63600 -1.03100 1.000 C8 C 6.16200 0.70800 -1.37300 1.000 C9 C 5.66900 1.43400 -0.11700 1.000 O10 O 4.43300 0.82600 0.34300 1.000 C11 C 3.25000 1.29100 -0.09900 1.000 O12 O 3.21600 2.21900 -0.88300 1.000 N13 N 2.10200 0.72800 0.32800 1.000 C14 C 0.81400 1.23400 -0.15300 1.000 C15 C -0.32000 0.42500 0.48100 1.000 N16 N -1.60800 0.93100 0.00000 1.000 C17 C -2.75500 0.36800 0.42700 1.000 O18 O -2.72100 -0.56000 1.21100 1.000 O19 O -3.93900 0.83200 -0.01500 1.000 C20 C -5.17500 0.22500 0.44500 1.000 C21 C -6.29000 1.27600 0.45600 1.000 O22 O -7.52800 0.64000 0.78300 1.000 C23 C -5.57400 -0.90900 -0.50500 1.000 O24 O -6.85500 -1.41200 -0.12000 1.000 C25 C -7.78100 -0.33200 -0.22900 1.000 C26 C -7.63900 0.32000 -1.60600 1.000 C27 C -9.18300 -0.86300 -0.07100 1.000 O28 O -9.68100 -1.72100 -0.97500 1.000 O29 O -9.85700 -0.51700 0.87000 1.000 H30 H 9.11300 -3.46300 -0.71400 1.000 H31 H 6.36000 1.74000 1.90400 1.000 H32 H 7.63600 1.84800 0.66600 1.000 H33 H 9.46000 0.40700 0.16200 1.000 H34 H 9.04800 -0.02400 -1.51500 1.000 H35 H 8.24900 1.35800 -0.72900 1.000 H36 H 5.37200 0.70100 -2.12300 1.000 H37 H 7.03900 1.22000 -1.77000 1.000 H38 H 5.49900 2.48600 -0.34600 1.000 H39 H 2.12900 -0.01300 0.95400 1.000 H40 H 0.71000 2.28300 0.12300 1.000 H41 H 0.76800 1.13600 -1.23700 1.000 H42 H -0.21600 -0.62400 0.20500 1.000 H43 H -0.27300 0.52300 1.56500 1.000 H44 H -1.63500 1.67200 -0.62600 1.000 H45 H -5.03500 -0.17000 1.45100 1.000 H46 H -6.06400 2.03900 1.20100 1.000 H47 H -6.36600 1.73800 -0.52800 1.000 H48 H -5.62300 -0.52900 -1.52600 1.000 H49 H -4.83600 -1.70900 -0.44800 1.000 H50 H -6.62600 0.70500 -1.72300 1.000 H51 H -7.83900 -0.42000 -2.38100 1.000 H52 H -8.35100 1.14000 -1.69400 1.000 H53 H -10.58100 -2.06200 -0.87400 1.000