# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CCI' 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 -8.98100 -0.36900 -0.88000 1.000 C1 C -10.39200 -0.82100 -0.49300 1.000 C2 C -11.01900 0.22500 0.43400 1.000 C3 C -11.01800 1.58400 -0.27300 1.000 C4 C -9.58300 1.94300 -0.66700 1.000 C5 C -9.58000 3.27200 -1.42700 1.000 O6 O -8.17000 -0.28700 0.29300 1.000 O7 O -11.19000 -0.95500 -1.67100 1.000 O8 O -12.36300 -0.15300 0.74000 1.000 O9 O -11.53400 2.58200 0.61000 1.000 O10 O -9.04900 0.91500 -1.50400 1.000 C11 C -12.48500 -0.97300 1.90400 1.000 C12 C -5.94700 0.51400 0.00600 1.000 C13 C -6.84400 -0.54000 0.14500 1.000 C14 C -6.38700 -1.85400 0.13100 1.000 C15 C -5.03200 -2.11500 -0.02000 1.000 C16 C -4.13000 -1.05100 -0.15900 1.000 C17 C -4.60200 0.26600 -0.14500 1.000 I18 I -6.64900 2.48800 0.01900 1.000 O19 O -7.26800 -2.88200 0.26700 1.000 C20 C -7.45900 -3.40300 1.58400 1.000 O21 O -4.58300 -3.39600 -0.03300 1.000 C22 C -4.43000 -4.01700 -1.31100 1.000 C23 C -3.63600 1.41300 -0.29400 1.000 C24 C -2.69000 -1.31900 -0.32000 1.000 O25 O -2.21900 -1.46200 -1.43300 1.000 S26 S -1.65100 -1.43100 1.09800 1.000 C27 C 2.73000 -0.81700 0.10500 1.000 C28 C 1.73900 -0.42000 -0.99200 1.000 C29 C 0.34100 -0.28500 -0.38200 1.000 C30 C -0.03900 -1.60600 0.29400 1.000 C31 C 1.02000 -1.95700 1.34200 1.000 C32 C 0.68000 -3.30500 1.98100 1.000 O33 O 4.02700 -1.00000 -0.46600 1.000 O34 O 0.34100 0.76600 0.58600 1.000 O35 O 2.30100 -2.03700 0.71400 1.000 C36 C 9.19600 -1.69600 -0.01100 1.000 C37 C 8.82800 -0.22800 -0.24100 1.000 C38 C 7.46100 0.05300 0.39300 1.000 C39 C 6.42700 -0.90600 -0.20500 1.000 C40 C 6.88800 -2.34800 0.02300 1.000 C41 C 5.89000 -3.31100 -0.62400 1.000 O42 O 10.44300 -1.98000 -0.64700 1.000 O43 O 9.81500 0.61200 0.36200 1.000 O44 O 7.07600 1.40200 0.12000 1.000 N45 N 5.12800 -0.69700 0.44800 1.000 O46 O 8.17800 -2.53300 -0.56400 1.000 C47 C 10.93600 -3.29800 -0.39900 1.000 C48 C 10.08500 1.80900 -0.37000 1.000 C49 C 10.90500 2.76500 0.50000 1.000 C50 C 12.24900 2.11200 0.83500 1.000 C51 C 12.96800 1.75100 -0.46900 1.000 C52 C 12.06800 0.83400 -1.30100 1.000 O53 O 13.05100 3.02700 1.58500 1.000 C54 C 12.87300 2.93000 3.00000 1.000 N55 N 14.22500 1.05700 -0.16000 1.000 C56 C 15.19500 1.21400 -1.25300 1.000 C57 C 16.48800 0.47900 -0.89600 1.000 O58 O 10.82300 1.49000 -1.55100 1.000 H59 H -8.54600 -1.08800 -1.57300 1.000 H60 H -10.33900 -1.78000 0.02200 1.000 H61 H -10.43900 0.29100 1.35400 1.000 H62 H -11.63900 1.53100 -1.16700 1.000 H63 H -8.97100 2.03600 0.23000 1.000 H64 H -9.89700 4.07300 -0.75900 1.000 H65 H -8.57400 3.48000 -1.79100 1.000 H66 H -10.26700 3.20900 -2.27100 1.000 H67 H -10.84800 -1.59800 -2.30700 1.000 H68 H -11.56200 3.46900 0.22800 1.000 H69 H -11.91700 -1.89300 1.76200 1.000 H70 H -12.09600 -0.43600 2.77000 1.000 H71 H -13.53500 -1.21700 2.06900 1.000 H72 H -8.11500 -4.27200 1.54000 1.000 H73 H -6.49600 -3.69600 2.00300 1.000 H74 H -7.91100 -2.63800 2.21500 1.000 H75 H -4.15100 -5.06200 -1.17600 1.000 H76 H -5.37200 -3.96100 -1.85700 1.000 H77 H -3.65200 -3.50300 -1.87400 1.000 H78 H -3.28300 1.72200 0.69000 1.000 H79 H -2.78800 1.09800 -0.90200 1.000 H80 H -4.13900 2.25000 -0.77900 1.000 H81 H 2.77200 -0.03000 0.85900 1.000 H82 H 2.04000 0.53200 -1.42800 1.000 H83 H 1.72700 -1.18800 -1.76600 1.000 H84 H -0.37900 -0.05800 -1.16900 1.000 H85 H -0.08900 -2.39700 -0.45400 1.000 H86 H 1.04000 -1.18500 2.11200 1.000 H87 H 0.74300 -4.09000 1.22700 1.000 H88 H 1.38500 -3.51500 2.78400 1.000 H89 H -0.33200 -3.27000 2.38500 1.000 H90 H 0.58000 1.63100 0.22800 1.000 H91 H 9.28200 -1.88600 1.05900 1.000 H92 H 8.78100 -0.02700 -1.31100 1.000 H93 H 7.52000 -0.10000 1.47000 1.000 H94 H 6.33300 -0.71900 -1.27500 1.000 H95 H 6.94300 -2.54700 1.09300 1.000 H96 H 5.83500 -3.11200 -1.69400 1.000 H97 H 6.21900 -4.33800 -0.46100 1.000 H98 H 4.90600 -3.16900 -0.17700 1.000 H99 H 7.62600 2.06400 0.56000 1.000 H100 H 5.05200 0.24300 0.80700 1.000 H101 H 11.88600 -3.43400 -0.91600 1.000 H102 H 11.08300 -3.43500 0.67300 1.000 H103 H 10.21500 -4.03000 -0.76400 1.000 H104 H 9.14400 2.28500 -0.64700 1.000 H105 H 11.07600 3.69500 -0.04300 1.000 H106 H 10.36200 2.97500 1.42200 1.000 H107 H 12.08000 1.20900 1.42000 1.000 H108 H 13.18100 2.66000 -1.03100 1.000 H109 H 12.55600 0.60800 -2.24900 1.000 H110 H 11.88800 -0.09200 -0.75500 1.000 H111 H 13.51600 3.65600 3.49700 1.000 H112 H 11.83200 3.13500 3.25000 1.000 H113 H 13.13600 1.92500 3.33100 1.000 H114 H 14.61100 1.37900 0.71500 1.000 H115 H 14.78000 0.79500 -2.17000 1.000 H116 H 15.40700 2.27300 -1.40000 1.000 H117 H 17.20800 0.59500 -1.70600 1.000 H118 H 16.90300 0.89800 0.02200 1.000 H119 H 16.27600 -0.58000 -0.74800 1.000