# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CW1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 5.93000 -3.55900 -0.66300 1.000 C1 C 5.52700 -2.62200 -0.01500 1.000 O2 O 5.08800 -1.51500 -0.63600 1.000 C3 C 4.61900 -0.42900 0.20500 1.000 C4 C 4.16200 0.73700 -0.67500 1.000 C5 C 3.66800 1.88100 0.21200 1.000 C6 C 4.78300 2.36200 1.14200 1.000 O7 O 2.50500 1.47100 0.97500 1.000 C8 C 1.44600 2.31600 0.48200 1.000 C9 C 0.25900 2.39900 1.37600 1.000 O10 O -0.90900 2.91800 0.76100 1.000 C11 C -0.05300 0.99600 1.90100 1.000 O12 O -0.86000 1.09500 3.07600 1.000 C13 C -1.19900 -0.16600 3.65600 1.000 O14 O 2.10800 3.59300 0.25900 1.000 C15 C 3.13000 3.05900 -0.65900 1.000 O16 O 2.31900 2.42300 -1.68700 1.000 C17 C 1.16300 1.88800 -0.97400 1.000 C18 C -0.08400 2.61500 -1.48400 1.000 O19 O -0.43200 2.11700 -2.77700 1.000 C20 C -1.23900 2.36700 -0.51100 1.000 O21 O -1.45900 0.96100 -0.38000 1.000 C22 C -2.74700 0.53600 -0.79900 1.000 C23 C -3.35500 -0.53600 0.07100 1.000 C24 C -4.51500 -0.42900 0.67500 1.000 C25 C -5.48400 0.71000 0.52600 1.000 C26 C -6.85200 0.16400 0.11300 1.000 C27 C -5.61100 1.44900 1.86000 1.000 C28 C -4.72100 -1.58100 1.62500 1.000 C29 C -3.33700 -2.21900 1.79900 1.000 C30 C -2.75600 -1.87600 0.40400 1.000 C31 C -3.11400 -3.01100 -0.55500 1.000 C32 C -1.29000 -1.68400 0.59700 1.000 C33 C -0.39800 -1.34100 -0.29200 1.000 C34 C 1.07900 -1.29000 0.10000 1.000 C35 C 1.42300 -2.38500 1.11200 1.000 O36 O 2.80900 -2.30300 1.45000 1.000 C37 C 3.23600 -3.28600 2.39400 1.000 O38 O 1.40900 0.00300 0.60400 1.000 C39 C 1.78600 -1.56800 -1.22900 1.000 C40 C 0.67700 -1.77400 -2.27000 1.000 C41 C -0.45200 -0.87300 -1.70200 1.000 C42 C -1.60200 -0.78000 -2.64400 1.000 C43 C -1.92900 -2.11200 -3.33000 1.000 C44 C -2.84800 -0.08200 -2.17300 1.000 O45 O -4.00200 -0.92400 -2.29200 1.000 H46 H 5.51500 -2.67600 1.06300 1.000 H47 H 3.78200 -0.77500 0.81200 1.000 H48 H 5.42700 -0.09800 0.85600 1.000 H49 H 4.99900 1.08300 -1.28100 1.000 H50 H 3.35400 0.40600 -1.32600 1.000 H51 H 5.62000 2.72700 0.54800 1.000 H52 H 4.40700 3.16800 1.77300 1.000 H53 H 5.11500 1.53500 1.76900 1.000 H54 H 0.51100 3.03300 2.22600 1.000 H55 H -0.59000 0.43400 1.13700 1.000 H56 H 0.87800 0.48400 2.14200 1.000 H57 H -1.77600 -0.75200 2.94000 1.000 H58 H -0.28700 -0.70300 3.91500 1.000 H59 H -1.79300 -0.00400 4.55500 1.000 H60 H 3.87900 3.77000 -1.00800 1.000 H61 H 1.08200 0.80600 -1.07400 1.000 H62 H 0.11800 3.68400 -1.54700 1.000 H63 H -1.21500 2.53500 -3.16100 1.000 H64 H -2.14300 2.84300 -0.89000 1.000 H65 H -3.39900 1.44600 -0.77100 1.000 H66 H -5.12100 1.39800 -0.23700 1.000 H67 H -7.55500 0.99000 0.00500 1.000 H68 H -6.76200 -0.36300 -0.83700 1.000 H69 H -7.21500 -0.52400 0.87700 1.000 H70 H -4.65600 1.91100 2.11100 1.000 H71 H -6.37700 2.22000 1.77600 1.000 H72 H -5.88900 0.74200 2.64200 1.000 H73 H -5.08100 -1.21000 2.58100 1.000 H74 H -5.41600 -2.29700 1.20000 1.000 H75 H -2.76700 -1.72800 2.57500 1.000 H76 H -3.40500 -3.29100 1.92400 1.000 H77 H -3.26500 -2.60700 -1.55600 1.000 H78 H -2.30300 -3.74000 -0.57600 1.000 H79 H -4.03000 -3.49700 -0.21800 1.000 H80 H -0.93100 -1.81500 1.63800 1.000 H81 H 0.82100 -2.25000 2.01000 1.000 H82 H 1.21200 -3.36100 0.67600 1.000 H83 H 2.67100 -3.17100 3.32000 1.000 H84 H 3.06300 -4.28200 1.98500 1.000 H85 H 4.29800 -3.15700 2.59900 1.000 H86 H 2.04300 -0.00900 1.33300 1.000 H87 H 2.40100 -0.71600 -1.50900 1.000 H88 H 2.39200 -2.46700 -1.15000 1.000 H89 H 0.98600 -1.41400 -3.24100 1.000 H90 H 0.36800 -2.81100 -2.28200 1.000 H91 H 0.02600 0.14900 -1.69900 1.000 H92 H -1.22400 -0.13500 -3.50300 1.000 H93 H -2.09600 -2.87900 -2.57400 1.000 H94 H -2.82700 -1.99700 -3.93700 1.000 H95 H -1.09400 -2.40600 -3.96700 1.000 H96 H -3.03700 0.76100 -2.89300 1.000 H97 H -4.84000 -0.46400 -2.14500 1.000