# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CLL' 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 -2.45800 -1.22100 2.81900 1.000 C1 C -2.28700 -1.84500 1.43300 1.000 C2 C -1.77000 -0.79000 0.45300 1.000 C3 C -0.37700 -0.32600 0.89000 1.000 C4 C -0.46200 0.15600 2.32800 1.000 C5 C 0.07000 1.29600 2.59900 1.000 C6 C 0.02300 1.90500 3.97000 1.000 C7 C -0.04300 0.78600 5.01600 1.000 C8 C -1.25300 -0.10300 4.70200 1.000 C9 C -1.09500 -0.75400 3.33800 1.000 C10 C -1.44300 -1.17900 5.76800 1.000 C11 C -1.53000 -0.57500 7.17800 1.000 C12 C -0.25600 0.21600 7.40400 1.000 C13 C -0.26400 1.39100 6.39100 1.000 C14 C 0.87100 2.27100 6.93000 1.000 C15 C 0.65900 2.21800 8.46700 1.000 C16 C -0.12000 0.91100 8.75500 1.000 C17 C 0.96000 -0.67600 7.15500 1.000 C18 C -0.20000 -1.98500 3.49700 1.000 C19 C 0.66200 0.02800 9.72900 1.000 C20 C -0.14100 -1.23800 10.02900 1.000 C21 C 0.90700 0.79600 11.03000 1.000 C22 C 1.69000 -0.08600 12.00400 1.000 C23 C 1.93400 0.68100 13.30500 1.000 C24 C 2.71700 -0.20200 14.27800 1.000 C25 C 2.96200 0.56500 15.57900 1.000 C26 C 1.91300 -1.46800 14.57800 1.000 C27 C -1.86100 -0.58000 -1.95600 1.000 C28 C -1.78100 -1.17500 -3.33800 1.000 C29 C -2.00700 -0.07700 -4.38000 1.000 C30 C -1.92600 -0.68000 -5.78300 1.000 C31 C -2.15100 0.41700 -6.82500 1.000 C32 C -2.07000 -0.18600 -8.22800 1.000 C33 C -2.29600 0.91100 -9.26900 1.000 C34 C -2.21500 0.30800 -10.67300 1.000 C35 C -2.43700 1.38900 -11.69800 1.000 C36 C -1.57400 1.55800 -12.67000 1.000 C37 C -0.44900 0.57300 -12.85800 1.000 C38 C -0.43700 0.09200 -14.28600 1.000 C39 C 0.66600 0.15500 -14.98900 1.000 C40 C 1.95900 0.55500 -14.32700 1.000 C41 C 3.03400 -0.48800 -14.63500 1.000 C42 C 4.34700 -0.08200 -13.96300 1.000 C43 C 5.42200 -1.12700 -14.27100 1.000 C44 C 6.73500 -0.72100 -13.59900 1.000 O45 O -2.07600 0.60000 -1.81800 1.000 O46 O -1.69300 -1.36300 -0.87800 1.000 H47 H -3.13400 -0.36700 2.75300 1.000 H48 H -2.87300 -1.96100 3.50200 1.000 H49 H -3.24800 -2.22300 1.08400 1.000 H50 H -1.57400 -2.66700 1.49000 1.000 H51 H -2.45000 0.06100 0.44300 1.000 H52 H 0.28000 -1.19300 0.83300 1.000 H53 H 0.00900 0.47100 0.25700 1.000 H54 H 0.53800 1.85500 1.80200 1.000 H55 H -0.85800 2.53900 4.05700 1.000 H56 H 0.92000 2.50300 4.13300 1.000 H57 H 0.87700 0.20300 5.00400 1.000 H58 H -2.14500 0.52200 4.68300 1.000 H59 H -2.36200 -1.72700 5.55900 1.000 H60 H -0.60200 -1.87100 5.72900 1.000 H61 H -2.39500 0.08400 7.24700 1.000 H62 H -1.61000 -1.37100 7.91900 1.000 H63 H -1.21300 1.92400 6.44200 1.000 H64 H 0.77600 3.29300 6.56300 1.000 H65 H 1.83900 1.85200 6.65800 1.000 H66 H 0.07900 3.08000 8.79600 1.000 H67 H 1.62300 2.19900 8.97700 1.000 H68 H -1.10400 1.14100 9.16300 1.000 H69 H 0.95200 -1.02100 6.12100 1.000 H70 H 1.87200 -0.10900 7.34200 1.000 H71 H 0.92400 -1.53600 7.82500 1.000 H72 H -0.08600 -2.47800 2.53200 1.000 H73 H 0.77700 -1.67700 3.86600 1.000 H74 H -0.65600 -2.67600 4.20600 1.000 H75 H 1.61800 -0.24500 9.28400 1.000 H76 H -1.11900 -0.96300 10.42500 1.000 H77 H -0.27000 -1.81200 9.11100 1.000 H78 H 0.39100 -1.84200 10.76300 1.000 H79 H 1.48000 1.69800 10.81700 1.000 H80 H -0.04900 1.06900 11.47600 1.000 H81 H 1.11700 -0.98900 12.21700 1.000 H82 H 2.64600 -0.36000 11.55800 1.000 H83 H 2.50700 1.58300 13.09100 1.000 H84 H 0.97800 0.95400 13.75000 1.000 H85 H 3.67300 -0.47500 13.83300 1.000 H86 H 3.51900 -0.06300 16.27300 1.000 H87 H 3.53500 1.46800 15.36600 1.000 H88 H 2.00600 0.83900 16.02500 1.000 H89 H 0.95600 -1.19500 15.02400 1.000 H90 H 1.73800 -2.01500 13.65100 1.000 H91 H 2.47000 -2.09700 15.27200 1.000 H92 H -2.54700 -1.94300 -3.44900 1.000 H93 H -0.79700 -1.62000 -3.48700 1.000 H94 H -1.24100 0.69000 -4.27000 1.000 H95 H -2.99100 0.36700 -4.23200 1.000 H96 H -2.69200 -1.44800 -5.89300 1.000 H97 H -0.94200 -1.12500 -5.93100 1.000 H98 H -1.38500 1.18500 -6.71400 1.000 H99 H -3.13500 0.86100 -6.67600 1.000 H100 H -2.83600 -0.95400 -8.33800 1.000 H101 H -1.08600 -0.63000 -8.37600 1.000 H102 H -1.53000 1.67900 -9.15900 1.000 H103 H -3.28000 1.35600 -9.12100 1.000 H104 H -2.98000 -0.45900 -10.78300 1.000 H105 H -1.23100 -0.13600 -10.82100 1.000 H106 H -3.30700 2.02500 -11.63300 1.000 H107 H -1.66900 2.40300 -13.33500 1.000 H108 H -0.59400 -0.27500 -12.19000 1.000 H109 H 0.49900 1.05700 -12.63000 1.000 H110 H -1.33800 -0.30500 -14.73000 1.000 H111 H 0.64800 -0.07800 -16.04300 1.000 H112 H 1.81100 0.61700 -13.24900 1.000 H113 H 2.27700 1.52600 -14.70700 1.000 H114 H 3.18200 -0.55100 -15.71300 1.000 H115 H 2.71600 -1.45900 -14.25500 1.000 H116 H 4.19900 -0.02000 -12.88500 1.000 H117 H 4.66400 0.88800 -14.34300 1.000 H118 H 5.57000 -1.18900 -15.34900 1.000 H119 H 5.10400 -2.09800 -13.89100 1.000 H120 H 7.50100 -1.46500 -13.81800 1.000 H121 H 7.05200 0.25000 -13.97900 1.000 H122 H 6.58700 -0.65800 -12.52100 1.000