# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJV' 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 3.29400 2.58400 -1.83200 1.000 S1 S 3.92400 2.02000 -0.22700 1.000 O2 O 5.32500 2.24200 -0.13500 1.000 O3 O 3.04900 2.41900 0.82000 1.000 C4 C 3.76400 0.26700 -0.28300 1.000 C5 C 4.89200 -0.52800 -0.28900 1.000 C6 C 4.76300 -1.91700 -0.33300 1.000 C7 C 5.92900 -2.74800 -0.34000 1.000 N8 N 6.85400 -3.40700 -0.34500 1.000 C9 C 3.49100 -2.49300 -0.37100 1.000 C10 C 2.37200 -1.68700 -0.36400 1.000 C11 C 2.50700 -0.31100 -0.31500 1.000 C12 C 1.27900 0.56300 -0.30100 1.000 C13 C 0.66900 0.48900 1.08400 1.000 C14 C -0.60600 0.06400 1.18600 1.000 C15 C -1.25100 -0.02400 2.54600 1.000 C16 C 1.42200 0.85800 2.24500 1.000 N17 N 2.01900 1.15100 3.16600 1.000 N18 N 0.42400 0.16200 -1.43100 1.000 C19 C -0.83500 -0.24200 -1.17100 1.000 O20 O -1.54800 -0.57500 -2.09800 1.000 N21 N -1.32600 -0.28900 0.07400 1.000 C22 C -2.64600 -0.72200 0.24900 1.000 C23 C -3.70200 0.07600 -0.17200 1.000 C24 C -2.90200 -1.95200 0.83900 1.000 C25 C -4.20600 -2.37600 1.01000 1.000 C26 C -5.25400 -1.57800 0.59400 1.000 C27 C -5.00300 -0.35400 0.00100 1.000 C28 C -6.14900 0.51200 -0.45500 1.000 F29 F -6.47000 0.19900 -1.78100 1.000 F30 F -7.26100 0.28100 0.36100 1.000 F31 F -5.77900 1.85800 -0.37000 1.000 H32 H 3.86000 2.10700 -2.63200 1.000 H33 H 2.24100 2.31800 -1.92300 1.000 H34 H 3.40200 3.66600 -1.90500 1.000 H35 H 5.87200 -0.07600 -0.26100 1.000 H36 H 3.38400 -3.56700 -0.40500 1.000 H37 H 1.38800 -2.13100 -0.39300 1.000 H38 H 1.60000 1.59100 -0.47200 1.000 H39 H 0.76000 0.18900 -2.34100 1.000 H40 H -0.53000 0.26300 3.31000 1.000 H41 H -2.10900 0.64700 2.58500 1.000 H42 H -1.58200 -1.04700 2.72500 1.000 H43 H -3.50600 1.03200 -0.63500 1.000 H44 H -2.08300 -2.57700 1.16400 1.000 H45 H -4.40500 -3.33300 1.46900 1.000 H46 H -6.27300 -1.91200 0.72800 1.000