# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JOG' 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 -1.11900 1.01300 -0.33400 1.000 C1 C 2.96200 0.38400 -0.10900 1.000 C2 C 4.91200 -0.86700 0.50800 1.000 C3 C 3.74400 1.20200 -0.91400 1.000 O4 O -4.55700 0.81500 -1.32300 1.000 C5 C -3.94300 -0.25900 -0.60100 1.000 C6 C -2.92300 -0.95000 -1.49800 1.000 C7 C -2.11100 -1.98700 -0.72900 1.000 C8 C -1.47800 -1.36800 0.51700 1.000 C9 C -2.58900 -0.83600 1.42700 1.000 C10 C -3.32000 0.28000 0.67800 1.000 C11 C -2.37300 1.44200 0.41600 1.000 O12 O -1.99700 2.03600 1.66600 1.000 N13 N -0.59000 -0.26300 0.14500 1.000 C14 C 0.75400 -0.42800 0.24900 1.000 O15 O 1.21000 -1.50400 0.58300 1.000 N16 N 1.58200 0.60100 -0.01900 1.000 C17 C 3.55100 -0.65200 0.60300 1.000 C18 C 5.68900 -0.04500 -0.28700 1.000 C19 C 5.10500 0.98400 -1.00100 1.000 H20 H -1.30200 0.98300 -1.40600 1.000 H21 H -0.34300 1.78400 -0.17300 1.000 H22 H 5.37100 -1.67100 1.06500 1.000 H23 H 3.28800 2.00600 -1.47300 1.000 H24 H -5.02100 0.53600 -2.12300 1.000 H25 H -4.72500 -0.98100 -0.33600 1.000 H26 H -3.47100 -1.47200 -2.30100 1.000 H27 H -2.27200 -0.22700 -1.97600 1.000 H28 H -2.76500 -2.81200 -0.43100 1.000 H29 H -1.32500 -2.38600 -1.37600 1.000 H30 H -0.90400 -2.13400 1.05500 1.000 H31 H -3.28800 -1.63800 1.66100 1.000 H32 H -2.15900 -0.44300 2.34600 1.000 H33 H -4.13300 0.64200 1.32800 1.000 H34 H -2.89800 2.20400 -0.17400 1.000 H35 H -1.39300 2.78500 1.57900 1.000 H36 H 1.22200 1.49200 -0.15000 1.000 H37 H 2.94500 -1.28900 1.23100 1.000 H38 H 6.75500 -0.20800 -0.35000 1.000 H39 H 5.71400 1.62000 -1.62800 1.000