# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RIT' 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 8.21400 3.15700 1.60800 1.000 C1 C 7.65500 2.96600 0.40900 1.000 S2 S 7.34500 4.54800 -0.30300 1.000 C3 C 7.99800 5.30800 1.08200 1.000 N4 N 8.38300 4.42200 1.93600 1.000 C5 C 7.34400 1.63300 -0.22200 1.000 O6 O 6.00300 1.22200 0.15200 1.000 C7 C 5.56700 0.04300 -0.33300 1.000 O8 O 6.28900 -0.62300 -1.04900 1.000 N9 N 4.33200 -0.39700 -0.02400 1.000 C10 C 3.85800 -1.67900 -0.55200 1.000 C11 C 2.32900 -1.67400 -0.60800 1.000 C12 C 1.85700 -0.54100 -1.52100 1.000 C13 C 0.34700 -0.65800 -1.74000 1.000 C14 C 4.33100 -2.81200 0.36200 1.000 C15 C 5.83500 -2.89600 0.32100 1.000 C16 C 6.59200 -2.16700 1.22000 1.000 C17 C 7.97100 -2.24300 1.18300 1.000 C18 C 8.59400 -3.04900 0.24800 1.000 C19 C 7.83700 -3.77800 -0.65000 1.000 C20 C 6.45700 -3.70500 -0.61000 1.000 O21 O 1.80400 -1.47700 0.70600 1.000 C22 C -0.09500 0.35300 -2.79900 1.000 C23 C -1.55800 0.15600 -3.10300 1.000 C24 C -2.51400 0.84500 -2.37900 1.000 C25 C -3.85500 0.66300 -2.65800 1.000 C26 C -4.24200 -0.20700 -3.66100 1.000 C27 C -3.28600 -0.89500 -4.38500 1.000 C28 C -1.94400 -0.71100 -4.10900 1.000 N29 N -0.35100 -0.38300 -0.48100 1.000 N30 N -3.50100 -1.46800 1.07500 1.000 C31 C -2.22200 -0.75400 1.09400 1.000 C32 C -1.42300 -1.12000 -0.13000 1.000 O33 O -1.74600 -2.07900 -0.80000 1.000 C34 C -1.43900 -1.14300 2.34900 1.000 C35 C -1.02000 -2.61100 2.25400 1.000 C36 C -0.19200 -0.26300 2.46600 1.000 C37 C -4.56300 -0.96700 1.73700 1.000 N38 N -5.73900 -1.62400 1.71900 1.000 C39 C -6.89300 -1.07900 2.43800 1.000 O40 O -4.45900 0.07800 2.34900 1.000 C41 C -7.67400 -0.17300 1.52100 1.000 C42 C -8.73200 -0.59200 0.82000 1.000 S43 S -9.34000 0.77500 -0.11100 1.000 C44 C -8.11200 1.77300 0.53500 1.000 N45 N -7.37300 1.09800 1.35000 1.000 C46 C -7.92300 3.23100 0.20600 1.000 C47 C -7.67700 3.38700 -1.29600 1.000 C48 C -9.17900 4.01000 0.60000 1.000 C49 C -5.86400 -2.88400 0.98200 1.000 H50 H 8.49900 2.34200 2.25600 1.000 H51 H 8.07700 6.37700 1.22100 1.000 H52 H 7.40800 1.72100 -1.30700 1.000 H53 H 8.06200 0.89000 0.12600 1.000 H54 H 3.75600 0.13500 0.54700 1.000 H55 H 4.25800 -1.83000 -1.55400 1.000 H56 H 1.97700 -2.62800 -1.00000 1.000 H57 H 2.08300 0.41900 -1.05700 1.000 H58 H 2.36900 -0.61000 -2.48100 1.000 H59 H 0.10500 -1.66600 -2.07600 1.000 H60 H 4.00500 -2.61500 1.38300 1.000 H61 H 3.90500 -3.75600 0.02000 1.000 H62 H 6.10500 -1.53800 1.95000 1.000 H63 H 8.56300 -1.67300 1.88400 1.000 H64 H 9.67200 -3.10800 0.21800 1.000 H65 H 8.32400 -4.40700 -1.38100 1.000 H66 H 5.86600 -4.27800 -1.30900 1.000 H67 H 2.04600 -0.62800 1.10300 1.000 H68 H 0.06400 1.36500 -2.42500 1.000 H69 H 0.48800 0.20600 -3.70800 1.000 H70 H -2.21200 1.52400 -1.59600 1.000 H71 H -4.60200 1.20100 -2.09200 1.000 H72 H -5.29000 -0.34900 -3.87800 1.000 H73 H -3.58800 -1.57500 -5.16700 1.000 H74 H -1.19800 -1.24500 -4.67700 1.000 H75 H -0.04100 0.32900 0.10000 1.000 H76 H -3.58300 -2.30200 0.58700 1.000 H77 H -2.40600 0.32100 1.10000 1.000 H78 H -2.06700 -1.00100 3.22900 1.000 H79 H -0.39100 -2.75300 1.37500 1.000 H80 H -0.46100 -2.88900 3.14800 1.000 H81 H -1.90700 -3.23800 2.17100 1.000 H82 H 0.39200 -0.57400 3.33300 1.000 H83 H 0.41200 -0.36800 1.56500 1.000 H84 H -0.49200 0.77800 2.58400 1.000 H85 H -7.53300 -1.89700 2.77200 1.000 H86 H -6.54900 -0.51200 3.30300 1.000 H87 H -9.14200 -1.59100 0.82400 1.000 H88 H -7.06600 3.62000 0.75600 1.000 H89 H -8.53300 2.99800 -1.84700 1.000 H90 H -7.54000 4.44200 -1.53500 1.000 H91 H -6.78200 2.83200 -1.57800 1.000 H92 H -9.35400 3.89900 1.67000 1.000 H93 H -9.04300 5.06500 0.36200 1.000 H94 H -10.03600 3.62100 0.04900 1.000 H95 H -5.61600 -3.71700 1.64000 1.000 H96 H -6.88700 -2.99600 0.62300 1.000 H97 H -5.18000 -2.87700 0.13200 1.000