# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CAI' 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 -4.71800 -1.29300 1.39400 1.000 C1 C -5.05900 -0.35100 0.26800 1.000 O2 O -6.21400 -0.11000 0.01100 1.000 C3 C -5.23300 2.51600 0.61900 1.000 C4 C -4.42500 2.00700 1.78500 1.000 C5 C -3.08900 1.45900 1.27800 1.000 C6 C -2.69000 0.23800 2.11000 1.000 C7 C -2.26100 -0.89600 1.17700 1.000 C8 C -3.36600 -1.95300 1.11600 1.000 C9 C -3.38600 -2.59000 -0.27400 1.000 C10 C -4.34600 -3.78200 -0.27700 1.000 C11 C -5.48400 -3.50600 -1.22600 1.000 C12 C -6.41700 -2.41500 -0.94600 1.000 C13 C -7.41800 -2.15800 -1.79100 1.000 C14 C -8.37500 -1.03000 -1.49900 1.000 C15 C -7.95100 0.38400 -1.90100 1.000 C16 C -8.40300 1.54400 -1.01200 1.000 C17 C -7.22200 2.48400 -0.76200 1.000 C18 C -7.74400 3.88600 -0.44400 1.000 C19 C -4.89800 -3.99500 1.13400 1.000 O20 O -4.79300 3.39600 -0.08200 1.000 O21 O -5.62600 -4.18700 -2.21900 1.000 O22 O -8.95500 -0.34400 -2.61000 1.000 O23 O -6.44100 1.99300 0.36000 1.000 C24 C 0.02800 -0.77800 1.08100 1.000 C25 C 1.34700 -1.28400 1.67000 1.000 C26 C 2.50500 -0.48900 1.05600 1.000 C27 C 2.40000 -0.57100 -0.47100 1.000 C28 C 1.00100 -0.12100 -0.89900 1.000 C29 C 0.89800 -0.16800 -2.42500 1.000 C30 C 3.97000 -0.66200 2.89500 1.000 O31 O -1.06000 -1.49100 1.67200 1.000 O32 O 1.34000 -1.10000 3.08700 1.000 N33 N 3.78600 -1.06100 1.49300 1.000 O34 O 0.02000 -0.98500 -0.33000 1.000 O35 O -1.60400 0.58300 2.97200 1.000 C36 C 3.94700 -0.44200 -2.16000 1.000 C37 C 4.67600 0.53000 -3.09000 1.000 C38 C 5.76900 1.25500 -2.29600 1.000 C39 C 6.66000 0.20800 -1.61900 1.000 C40 C 5.78000 -0.74000 -0.80000 1.000 C41 C 6.66300 -1.77100 -0.09400 1.000 C42 C 6.61200 2.10900 -3.24600 1.000 O43 O 3.38000 0.28100 -1.06600 1.000 O44 O 5.16800 2.09100 -1.30600 1.000 O45 O 7.60900 0.87100 -0.74200 1.000 O46 O 4.86500 -1.41300 -1.66200 1.000 C47 C 8.81400 0.32200 -0.52000 1.000 C48 C 9.79900 1.01000 0.39000 1.000 C49 C 11.08200 0.18200 0.47100 1.000 C50 C 12.12700 0.94000 1.29300 1.000 C51 C 10.78200 -1.16000 1.14100 1.000 O52 O 9.10800 -0.72300 -1.04900 1.000 C53 C -1.84600 3.33700 0.39000 1.000 C54 C -0.78600 4.40000 0.51900 1.000 C55 C -2.17800 1.05400 4.19200 1.000 O56 O -2.06800 2.48400 1.40300 1.000 O57 O -2.49600 3.25100 -0.62500 1.000 C58 C 3.62000 -2.52000 1.48700 1.000 H59 H -5.48800 -2.06100 1.47100 1.000 H60 H -4.66600 -0.73600 2.33000 1.000 H61 H -4.27000 0.10800 -0.31000 1.000 H62 H -4.97600 1.21200 2.28900 1.000 H63 H -4.24200 2.82200 2.48400 1.000 H64 H -3.18800 1.17000 0.23200 1.000 H65 H -3.54100 -0.08600 2.70900 1.000 H66 H -2.08400 -0.49700 0.17800 1.000 H67 H -3.17600 -2.72100 1.86600 1.000 H68 H -2.38300 -2.93100 -0.53200 1.000 H69 H -3.71900 -1.85400 -1.00700 1.000 H70 H -3.81300 -4.67700 -0.59800 1.000 H71 H -6.29700 -1.81700 -0.05500 1.000 H72 H -7.54300 -2.75500 -2.68100 1.000 H73 H -8.97900 -1.14300 -0.59900 1.000 H74 H -6.97900 0.50500 -2.37900 1.000 H75 H -8.76500 1.15400 -0.06100 1.000 H76 H -9.20400 2.09200 -1.50900 1.000 H77 H -6.59300 2.52300 -1.65100 1.000 H78 H -6.90300 4.55600 -0.26600 1.000 H79 H -8.33000 4.25500 -1.28600 1.000 H80 H -8.37200 3.84700 0.44600 1.000 H81 H -5.13500 -5.05000 1.27600 1.000 H82 H -4.15100 -3.69000 1.86700 1.000 H83 H -5.80100 -3.39900 1.26500 1.000 H84 H -0.07800 0.28600 1.29200 1.000 H85 H 1.46900 -2.34200 1.44000 1.000 H86 H 2.44300 0.55300 1.37100 1.000 H87 H 2.56600 -1.59900 -0.79300 1.000 H88 H 0.82800 0.89900 -0.55600 1.000 H89 H -0.12500 0.05500 -2.72700 1.000 H90 H 1.57400 0.56900 -2.85800 1.000 H91 H 1.17200 -1.16300 -2.77700 1.000 H92 H 4.98900 -0.89100 3.20700 1.000 H93 H 3.79200 0.40900 2.99500 1.000 H94 H 3.26600 -1.20800 3.52300 1.000 H95 H 0.59800 -1.61600 3.43200 1.000 H96 H 3.15300 -0.94500 -2.71300 1.000 H97 H 5.12900 -0.02200 -3.91300 1.000 H98 H 3.96800 1.25900 -3.48400 1.000 H99 H 7.19900 -0.35900 -2.37800 1.000 H100 H 5.22500 -0.16800 -0.05700 1.000 H101 H 7.36100 -1.25800 0.56900 1.000 H102 H 6.03800 -2.44600 0.49000 1.000 H103 H 7.22100 -2.34100 -0.83600 1.000 H104 H 5.97400 2.84400 -3.73700 1.000 H105 H 7.38800 2.62400 -2.67900 1.000 H106 H 7.07500 1.46900 -3.99700 1.000 H107 H 4.60900 2.72500 -1.77600 1.000 H108 H 10.02900 2.00000 -0.00600 1.000 H109 H 9.36600 1.10900 1.38500 1.000 H110 H 11.46700 0.00800 -0.53400 1.000 H111 H 11.74300 1.11400 2.29800 1.000 H112 H 13.04200 0.35000 1.35000 1.000 H113 H 12.34100 1.89600 0.81500 1.000 H114 H 10.39700 -0.98600 2.14600 1.000 H115 H 10.03800 -1.70000 0.55600 1.000 H116 H 11.69700 -1.75000 1.19900 1.000 H117 H -0.31000 4.32200 1.49600 1.000 H118 H -0.03800 4.26400 -0.26200 1.000 H119 H -1.24400 5.38400 0.41600 1.000 H120 H -1.38300 1.33100 4.88500 1.000 H121 H -2.80200 1.92500 3.98800 1.000 H122 H -2.78800 0.26700 4.63500 1.000 H123 H 3.23300 -2.83800 0.52000 1.000 H124 H 4.58500 -2.99600 1.66700 1.000 H125 H 2.92100 -2.81000 2.27200 1.000