# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJG' 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 -1.44500 -2.26200 0.51000 1.000 C1 C -0.35600 -1.60500 -0.02500 1.000 C2 C -0.48500 -0.28800 -0.47600 1.000 C3 C 0.68400 0.38000 -1.08500 1.000 C4 C 0.98400 -2.28700 -0.11100 1.000 C5 C 4.96600 -0.34700 -0.51200 1.000 C6 C 5.59100 0.85400 1.45300 1.000 C7 C 3.70500 1.54200 0.23100 1.000 C8 C 5.20900 -1.47500 -1.48200 1.000 C9 C -4.59600 1.16600 1.39500 1.000 C10 C -5.16000 -0.22000 -1.96100 1.000 C11 C -1.70700 0.37000 -0.36600 1.000 C12 C -2.80100 -0.29800 0.18100 1.000 C13 C -2.66400 -1.61500 0.61400 1.000 N14 N 1.76300 -0.35300 -1.42100 1.000 C15 C 1.73600 -1.81200 -1.35200 1.000 C16 C 2.98400 0.32500 -1.86300 1.000 C17 C 3.91300 0.50100 -0.69000 1.000 C18 C 5.81700 -0.16200 0.58700 1.000 N19 N 4.54600 1.70000 1.27100 1.000 O20 O 2.76900 2.31100 0.08100 1.000 C21 C 6.51000 1.04600 2.63200 1.000 O22 O 0.67100 1.57900 -1.28200 1.000 Cl23 Cl -1.28800 -3.90500 1.04500 1.000 C24 C -4.10900 0.39300 0.30400 1.000 N25 N -5.78400 1.56900 1.05300 1.000 O26 O -6.09600 1.17700 -0.04600 1.000 C27 C -5.12900 0.43600 -0.60400 1.000 C28 C -3.88100 1.45400 2.68900 1.000 Cl29 Cl -1.86700 2.01200 -0.90800 1.000 H30 H 1.56800 -2.05000 0.77900 1.000 H31 H 0.83800 -3.36600 -0.16800 1.000 H32 H 6.14000 -1.98000 -1.22500 1.000 H33 H 4.38300 -2.18400 -1.42800 1.000 H34 H 5.27900 -1.07500 -2.49300 1.000 H35 H -5.57600 -1.22400 -1.87000 1.000 H36 H -5.78100 0.37000 -2.63500 1.000 H37 H -4.14800 -0.28000 -2.35800 1.000 H38 H -3.51400 -2.13400 1.03300 1.000 H39 H 2.75900 -2.18800 -1.31600 1.000 H40 H 1.24200 -2.20400 -2.24100 1.000 H41 H 3.47500 -0.27500 -2.62900 1.000 H42 H 2.72800 1.30100 -2.27400 1.000 H43 H 6.65200 -0.82900 0.74200 1.000 H44 H 4.39600 2.42000 1.90300 1.000 H45 H 7.32900 1.70800 2.35000 1.000 H46 H 5.95300 1.48800 3.45800 1.000 H47 H 6.91200 0.08100 2.94000 1.000 H48 H -4.11600 0.67600 3.41500 1.000 H49 H -2.80500 1.47500 2.51300 1.000 H50 H -4.20400 2.42100 3.07600 1.000