# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CLJ' 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 -10.28000 3.15100 2.20400 1.000 I1 I 9.31500 1.14200 -1.94900 1.000 N2 N -7.91400 3.49000 1.74300 1.000 O3 O -10.23100 4.09000 2.97200 1.000 S4 S -10.01000 -2.57300 1.59700 1.000 C5 C -9.09800 2.77300 1.53100 1.000 N6 N -2.80400 -2.03600 -2.05400 1.000 O7 O -8.87000 5.39200 1.10900 1.000 S8 S -10.86200 -3.68800 0.10300 1.000 C9 C -9.10700 1.71800 0.68100 1.000 O10 O -6.70000 5.47600 1.57100 1.000 S11 S -9.46100 -5.14500 -0.24200 1.000 C12 C -10.29900 0.96100 0.49900 1.000 O13 O -12.65300 0.62100 0.84200 1.000 S14 S 3.87900 -2.01500 -0.55000 1.000 C15 C -11.63900 1.61300 0.75600 1.000 O16 O -7.61200 -0.00600 -0.08900 1.000 C17 C -11.58900 2.44700 2.02300 1.000 O18 O 10.17600 -0.26500 0.76500 1.000 C19 C -7.86400 4.80800 1.46200 1.000 O20 O 8.71500 -1.52100 2.72300 1.000 C21 C -6.72100 6.89200 1.25200 1.000 O22 O 5.98000 -1.70400 2.48600 1.000 C23 C -11.90400 2.49500 -0.41200 1.000 O24 O 3.89100 0.24700 0.72000 1.000 C25 C -11.62800 2.89300 -1.51300 1.000 O26 O -0.10100 -2.55900 -0.54500 1.000 C27 C -11.28900 2.84200 -2.90700 1.000 O28 O 2.00600 -0.72400 -2.52000 1.000 C29 C -10.05100 2.50700 -3.31600 1.000 O30 O -1.94900 -1.26700 -1.15000 1.000 C31 C -9.00900 2.19900 -2.38800 1.000 O32 O -5.88600 -0.02500 -1.66000 1.000 C33 C -8.26400 1.76600 -1.56300 1.000 O34 O -6.30700 -2.11100 1.32400 1.000 C35 C -7.90200 1.39100 -0.16500 1.000 O36 O -4.34900 -3.57000 -0.16500 1.000 C37 C -10.23500 -0.31400 0.10400 1.000 C38 C -9.19300 -1.23200 0.69000 1.000 C39 C -10.04300 -6.52200 0.78500 1.000 C40 C 8.18900 0.18800 -0.46300 1.000 C41 C 8.82600 -0.35500 0.64800 1.000 C42 C 8.08600 -0.99100 1.63800 1.000 C43 C 6.70600 -1.08400 1.52100 1.000 C44 C 6.06500 -0.53600 0.40000 1.000 C45 C 6.82000 0.10500 -0.58700 1.000 C46 C 9.23400 -2.84500 2.58800 1.000 C47 C 5.60000 -0.91800 3.61700 1.000 C48 C 4.60100 -0.63100 0.26700 1.000 C49 C 6.13600 0.69600 -1.79300 1.000 C50 C 2.12400 -1.65300 -0.29000 1.000 C51 C 1.28600 -2.86700 -0.69600 1.000 C52 C -0.55000 -1.47300 -1.35900 1.000 C53 C 0.21500 -0.20300 -0.97900 1.000 C54 C 1.71700 -0.45100 -1.14700 1.000 C55 C 1.64400 -4.05700 0.19700 1.000 C56 C -4.22400 -1.77600 -1.78300 1.000 C57 C -4.51800 -0.28600 -1.98000 1.000 C58 C -6.23700 -0.32700 -0.30800 1.000 C59 C -6.01200 -1.81800 -0.04400 1.000 C60 C -4.55000 -2.16600 -0.33800 1.000 C61 C -4.25200 0.09800 -3.43700 1.000 H62 H -7.12900 3.03900 2.09100 1.000 H63 H -2.57900 -1.84300 -3.01800 1.000 H64 H -13.53700 0.97500 1.00600 1.000 H65 H -11.75700 1.79200 2.87800 1.000 H66 H -12.38500 3.19100 1.99000 1.000 H67 H -5.72200 7.30900 1.38100 1.000 H68 H -7.04100 7.02800 0.21900 1.000 H69 H -7.41600 7.40400 1.91800 1.000 H70 H -12.04900 3.07700 -3.64200 1.000 H71 H 1.76600 -0.00600 -3.12200 1.000 H72 H -9.83900 2.47100 -4.38000 1.000 H73 H -7.19300 -1.84000 1.60200 1.000 H74 H -7.04100 1.97100 0.17000 1.000 H75 H -4.53700 -3.88700 0.72900 1.000 H76 H -10.92900 -0.68600 -0.63400 1.000 H77 H -8.55400 -0.66900 1.37000 1.000 H78 H -8.58700 -1.65200 -0.11300 1.000 H79 H -9.36300 -7.36700 0.67900 1.000 H80 H -10.07300 -6.20900 1.82900 1.000 H81 H -11.04200 -6.81700 0.46500 1.000 H82 H 9.63000 -3.18000 3.54700 1.000 H83 H 8.43800 -3.51700 2.26900 1.000 H84 H 10.03200 -2.84900 1.84500 1.000 H85 H 6.48800 -0.47200 4.06500 1.000 H86 H 4.91800 -0.12800 3.29900 1.000 H87 H 5.10300 -1.55300 4.35000 1.000 H88 H 5.86400 1.73100 -1.58600 1.000 H89 H 6.81200 0.66200 -2.64700 1.000 H90 H 5.23700 0.12200 -2.01800 1.000 H91 H 1.95100 -1.42600 0.76200 1.000 H92 H 1.49000 -3.11900 -1.73700 1.000 H93 H -0.36900 -1.70600 -2.40800 1.000 H94 H -0.09400 0.61700 -1.62800 1.000 H95 H 0.00300 0.05400 0.05900 1.000 H96 H 2.27100 0.43200 -0.82700 1.000 H97 H 0.98300 -4.89400 -0.03000 1.000 H98 H 2.67800 -4.35000 0.01400 1.000 H99 H 1.52600 -3.77400 1.24300 1.000 H100 H -4.83900 -2.36200 -2.46700 1.000 H101 H -3.87300 0.30100 -1.32600 1.000 H102 H -5.61500 0.26000 0.36800 1.000 H103 H -6.66500 -2.40500 -0.69100 1.000 H104 H -3.89900 -1.61800 0.34300 1.000 H105 H -4.46200 1.15800 -3.57700 1.000 H106 H -3.20900 -0.10100 -3.68100 1.000 H107 H -4.89700 -0.49000 -4.09100 1.000 C108 C 10.68800 0.80500 1.56200 1.000 O109 O 10.89200 1.95600 0.74000 1.000 C110 C 12.02000 0.38400 2.18800 1.000 C111 C 13.03400 0.10800 1.07300 1.000 C112 C 11.79500 1.74400 -0.34700 1.000 C113 C 13.17200 1.36000 0.20200 1.000 O114 O 12.50600 1.43300 3.02700 1.000 O115 O 14.06100 1.09200 -0.88400 1.000 O116 O 14.30100 -0.21500 1.64900 1.000 C117 C 14.48900 -1.61000 1.89700 1.000 H118 H 9.97500 1.04400 2.35100 1.000 H119 H 11.87500 -0.52000 2.78000 1.000 H120 H 12.68700 -0.72500 0.46200 1.000 C121 C 11.91400 3.02900 -1.16900 1.000 H122 H 11.41900 0.94100 -0.98000 1.000 H123 H 13.56600 2.18000 0.80200 1.000 H124 H 11.91100 1.66300 3.75300 1.000 H125 H 14.19500 1.84300 -1.47800 1.000 H126 H 13.72200 -1.96200 2.58800 1.000 H127 H 14.41300 -2.15900 0.95900 1.000 H128 H 15.47400 -1.77200 2.33400 1.000 H129 H 12.38100 3.80600 -0.56400 1.000 H130 H 12.52500 2.84000 -2.05200 1.000 H131 H 10.92100 3.35600 -1.47800 1.000