# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JWT' 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 -5.31800 0.49200 0.94500 1.000 C1 C -5.96400 -0.10500 2.01100 1.000 C2 C -5.90800 -1.47700 2.17300 1.000 C3 C -5.20400 -2.25100 1.27000 1.000 C4 C -4.55800 -1.65400 0.20400 1.000 C5 C -4.61500 -0.28200 0.04100 1.000 C6 C -3.91500 0.36800 -1.12400 1.000 N7 N -2.54800 0.72200 -0.73700 1.000 C8 C -1.52800 -0.18300 -0.92500 1.000 N9 N -1.78600 -1.41800 -1.47400 1.000 C10 C -2.29500 1.93200 -0.20500 1.000 O11 O -3.20700 2.72000 -0.05100 1.000 N12 N -1.04800 2.28300 0.16000 1.000 C13 C -0.02000 1.42700 -0.00100 1.000 O14 O 1.10700 1.75300 0.33200 1.000 C15 C -0.25300 0.15700 -0.56000 1.000 N16 N 0.81300 -0.75400 -0.74200 1.000 C17 C 0.68000 -2.13800 -0.28200 1.000 S18 S 2.21200 -0.25500 -1.47500 1.000 O19 O 2.58200 -1.28800 -2.37800 1.000 O20 O 1.99600 1.09000 -1.87900 1.000 C21 C 3.46200 -0.20700 -0.23500 1.000 C22 C 4.23300 -1.32800 0.01300 1.000 C23 C 5.21400 -1.29100 0.98500 1.000 C24 C 5.42500 -0.13100 1.71200 1.000 C25 C 4.65300 0.99000 1.46300 1.000 C26 C 3.67500 0.95300 0.48600 1.000 F27 F 6.38400 -0.09400 2.66300 1.000 H28 H -4.00800 -2.25900 -0.50200 1.000 H29 H -5.16000 -3.32300 1.39600 1.000 H30 H -6.41200 -1.94400 3.00600 1.000 H31 H -6.51400 0.49900 2.71700 1.000 H32 H -5.36600 1.56300 0.81600 1.000 H33 H -3.88700 -0.32600 -1.96400 1.000 H34 H -4.45500 1.26900 -1.41500 1.000 H35 H -2.68300 -1.63700 -1.77400 1.000 H36 H -1.07300 -2.06900 -1.56200 1.000 H37 H -0.88800 3.16000 0.54200 1.000 H38 H 0.86600 -2.81700 -1.11500 1.000 H39 H 1.40400 -2.32900 0.51000 1.000 H40 H -0.32800 -2.29900 0.10000 1.000 H41 H 4.06800 -2.23200 -0.55400 1.000 H42 H 3.07500 1.82900 0.28900 1.000 H43 H 5.81700 -2.16700 1.17800 1.000 H44 H 4.81600 1.89500 2.02900 1.000