# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ZJ' 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 3.16200 1.91600 1.11800 1.000 O1 O 2.72000 2.45500 0.12600 1.000 C2 C 3.43900 2.72800 2.35700 1.000 S3 S 3.01100 4.46400 2.04900 1.000 N4 N 3.40000 0.58900 1.11500 1.000 C5 C 3.12500 -0.20200 -0.08700 1.000 C6 C 1.66300 -0.09400 -0.43600 1.000 O7 O 1.00300 0.82700 -0.00300 1.000 C8 C 3.96700 0.32800 -1.25000 1.000 C9 C 5.42800 0.10800 -0.95300 1.000 C10 C 6.04300 -1.06600 -1.34500 1.000 C11 C 6.15400 1.08200 -0.29400 1.000 C12 C 7.38400 -1.26900 -1.07300 1.000 C13 C 7.49400 0.88000 -0.02200 1.000 C14 C 8.10800 -0.29700 -0.40900 1.000 N15 N 1.08900 -1.02000 -1.23000 1.000 C16 C -0.32000 -1.03600 -1.64700 1.000 C17 C -1.21300 -1.10700 -0.43500 1.000 O18 O -0.72700 -1.14100 0.67500 1.000 C19 C -0.52500 -2.29000 -2.52300 1.000 C20 C 0.64300 -3.21300 -2.08600 1.000 C21 C 1.77300 -2.18100 -1.82700 1.000 N22 N -2.55200 -1.13200 -0.58500 1.000 C23 C -3.42000 -1.20100 0.59300 1.000 C24 C -3.58700 -2.66100 1.01900 1.000 C25 C -4.79000 -0.60900 0.25300 1.000 C26 C -4.63900 0.88300 -0.05200 1.000 C27 C -6.00800 1.47500 -0.39200 1.000 N28 N -5.86300 2.90300 -0.68400 1.000 C29 C -6.96200 3.64800 -1.01600 1.000 N30 N -8.16300 3.07500 -1.07400 1.000 N31 N -6.83000 4.94700 -1.28100 1.000 O32 O -4.43400 -2.72800 2.16800 1.000 C33 C -2.21800 -3.25300 1.35900 1.000 Cl34 Cl -2.39600 -5.01100 1.71800 1.000 H35 H 2.83900 2.34700 3.18300 1.000 H36 H 4.49600 2.65400 2.61100 1.000 H37 H 3.30500 5.06000 3.21900 1.000 H38 H 3.75400 0.15800 1.90800 1.000 H39 H 3.37800 -1.24500 0.09900 1.000 H40 H 3.69800 -0.20100 -2.16400 1.000 H41 H 3.77900 1.39400 -1.37800 1.000 H42 H 5.47700 -1.82600 -1.86400 1.000 H43 H 5.67400 2.00100 0.00900 1.000 H44 H 7.86400 -2.18600 -1.37900 1.000 H45 H 8.06100 1.64100 0.49300 1.000 H46 H 9.15500 -0.45500 -0.19600 1.000 H47 H -0.54700 -0.13800 -2.22200 1.000 H48 H -1.48600 -2.75700 -2.31000 1.000 H49 H -0.44300 -2.03900 -3.58100 1.000 H50 H 0.39100 -3.75800 -1.17600 1.000 H51 H 0.91900 -3.89900 -2.88700 1.000 H52 H 2.25300 -1.89800 -2.76400 1.000 H53 H 2.50700 -2.58900 -1.13200 1.000 H54 H -2.94100 -1.10500 -1.47300 1.000 H55 H -2.97100 -0.63400 1.40900 1.000 H56 H -4.03600 -3.22800 0.20300 1.000 H57 H -5.19900 -1.11800 -0.61900 1.000 H58 H -5.46300 -0.74000 1.10000 1.000 H59 H -4.22900 1.39300 0.82000 1.000 H60 H -3.96600 1.01400 -0.89900 1.000 H61 H -6.41800 0.96600 -1.26400 1.000 H62 H -6.68100 1.34400 0.45600 1.000 H63 H -4.98900 3.32100 -0.64200 1.000 H64 H -8.25800 2.12900 -0.88000 1.000 H65 H -5.95600 5.36400 -1.23900 1.000 H66 H -7.60900 5.47500 -1.51700 1.000 H67 H -4.09600 -2.24400 2.93400 1.000 H68 H -8.94100 3.60300 -1.30900 1.000 H69 H -1.54500 -3.12200 0.51200 1.000 H70 H -1.80800 -2.74300 2.23100 1.000