# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JPR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 6.90400 2.63700 -0.21000 1.000 C1 C 9.13000 0.61100 -0.23800 1.000 N2 N 3.91600 -1.41700 0.70700 1.000 O3 O 3.01200 0.05900 -0.68600 1.000 S4 S -2.27300 -0.48600 -0.47800 1.000 C5 C 7.74500 0.07300 0.01300 1.000 N6 N 1.60400 -1.24900 0.42800 1.000 O7 O -5.67900 0.18300 0.20100 1.000 C8 C 7.55800 -1.28100 0.21800 1.000 N9 N -8.87800 0.88800 0.53300 1.000 C10 C 6.66300 0.93600 0.04200 1.000 C11 C 6.29000 -1.77800 0.44800 1.000 C12 C 5.39200 0.44500 0.27200 1.000 C13 C 5.20100 -0.91600 0.47400 1.000 C14 C 2.85000 -0.83600 0.12100 1.000 C15 C 0.44500 -0.61800 -0.20900 1.000 C16 C -0.83900 -1.26700 0.31100 1.000 C17 C -3.67500 -1.37500 0.25400 1.000 C18 C -4.96300 -0.83200 -0.31000 1.000 C19 C -5.59200 -1.28300 -1.41100 1.000 C20 C -6.75300 -0.49400 -1.57200 1.000 C21 C -6.76500 0.39300 -0.56100 1.000 C22 C -7.81900 1.44300 -0.32200 1.000 C23 C -8.36800 0.59200 1.87800 1.000 C24 C -10.03300 1.79400 0.59500 1.000 H25 H 9.33400 0.60500 -1.30900 1.000 H26 H 9.19700 1.63200 0.13900 1.000 H27 H 9.86100 -0.01400 0.27400 1.000 H28 H 3.79200 -2.18100 1.29100 1.000 H29 H 1.47400 -1.96300 1.07100 1.000 H30 H 8.40400 -1.95200 0.19900 1.000 H31 H 6.14400 -2.83600 0.60800 1.000 H32 H 4.54800 1.11800 0.29600 1.000 H33 H 0.43600 0.44600 0.02600 1.000 H34 H 0.50800 -0.75200 -1.28900 1.000 H35 H -0.90100 -1.13400 1.39100 1.000 H36 H -0.82900 -2.33200 0.07600 1.000 H37 H -3.59500 -2.43600 0.02000 1.000 H38 H -3.66700 -1.23900 1.33500 1.000 H39 H -5.27000 -2.09300 -2.05000 1.000 H40 H -7.48900 -0.58400 -2.35700 1.000 H41 H -8.24700 1.75200 -1.27500 1.000 H42 H -7.36900 2.30400 0.17100 1.000 H43 H -9.15300 0.11900 2.46800 1.000 H44 H -7.51400 -0.08000 1.80300 1.000 H45 H -8.06000 1.51900 2.36200 1.000 H46 H -9.72000 2.75400 1.00500 1.000 H47 H -10.43400 1.94100 -0.40800 1.000 H48 H -10.80200 1.36000 1.23400 1.000