# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JSW' 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 0.12000 2.96300 -0.47200 1.000 C1 C 1.04300 1.82800 -0.83400 1.000 C2 C 4.03700 2.24800 1.05300 1.000 C3 C 2.49700 -0.80800 -0.15900 1.000 C4 C 2.82900 -1.86400 -0.98700 1.000 C5 C 2.24100 -3.10300 -0.79900 1.000 C6 C 1.32100 -3.28500 0.22000 1.000 C7 C -6.00300 -1.67500 -0.55000 1.000 C8 C -4.76400 -0.97500 -0.05600 1.000 C9 C -3.16200 0.44300 0.20400 1.000 C10 C -1.21200 1.47000 1.02100 1.000 C11 C -0.40100 2.76600 0.95400 1.000 C12 C -1.06500 2.98700 -1.44200 1.000 C13 C -1.85600 1.68500 -1.30500 1.000 C14 C 4.26700 0.76100 0.67000 1.000 C15 C 3.13700 0.54000 -0.36500 1.000 C16 C 0.99000 -2.22700 1.04900 1.000 C17 C 1.57500 -0.98700 0.85500 1.000 F18 F 2.56500 -4.13500 -1.60900 1.000 F19 F 0.09300 -2.40300 2.04300 1.000 N20 N -3.96500 -1.39700 0.88100 1.000 N21 N -3.00600 -0.55400 1.04000 1.000 N22 N -2.33400 1.54300 0.07600 1.000 N23 N 2.16100 1.61200 -0.11200 1.000 N24 N 2.55900 2.35900 0.96700 1.000 O25 O -4.27700 0.19700 -0.50800 1.000 O26 O 0.78000 1.10800 -1.77400 1.000 H27 H 0.66200 3.90700 -0.53500 1.000 H28 H 4.38500 2.44700 2.06700 1.000 H29 H 4.52100 2.91400 0.33900 1.000 H30 H 3.54600 -1.72200 -1.78200 1.000 H31 H 0.86600 -4.25300 0.37000 1.000 H32 H -5.74100 -2.34500 -1.36800 1.000 H33 H -6.44500 -2.25000 0.26400 1.000 H34 H -6.72200 -0.93500 -0.90400 1.000 H35 H -0.57200 0.62700 0.76000 1.000 H36 H -1.59700 1.33400 2.03200 1.000 H37 H 0.44000 2.70500 1.64400 1.000 H38 H -1.03700 3.60800 1.22800 1.000 H39 H -1.71100 3.83200 -1.20500 1.000 H40 H -0.69700 3.08500 -2.46400 1.000 H41 H -2.70900 1.70500 -1.98400 1.000 H42 H -1.21300 0.84100 -1.55500 1.000 H43 H 5.24800 0.62000 0.21500 1.000 H44 H 4.14100 0.10900 1.53400 1.000 H45 H 3.53200 0.61900 -1.37800 1.000 H46 H 1.31700 -0.16200 1.50200 1.000 H47 H 2.27300 3.32200 0.86500 1.000