# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWH' 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 -8.46200 2.38900 -0.36300 1.000 C1 C -8.26900 1.24700 0.63700 1.000 C2 C -9.49700 0.36000 0.64400 1.000 O3 O -10.52000 0.70300 0.10100 1.000 C4 C -9.39600 -0.97300 1.35600 1.000 C5 C -9.33900 -0.74700 2.86900 1.000 C6 C -8.11200 -1.66800 0.88700 1.000 O7 O -8.24100 -2.03000 -0.48900 1.000 O8 O -7.00800 -0.77400 1.04500 1.000 C9 C -7.06600 0.39100 0.22000 1.000 C10 C -5.78000 1.20200 0.38900 1.000 C11 C -4.58800 0.37400 -0.09700 1.000 O12 O -4.72500 0.11700 -1.52000 1.000 C13 C -4.81900 -1.16600 -1.90100 1.000 O14 O -4.70000 -2.04900 -1.08500 1.000 C15 C -5.07300 -1.50600 -3.34700 1.000 C16 C -3.29200 1.14600 0.16000 1.000 C17 C -2.09400 0.26900 -0.21000 1.000 C18 C -0.79900 1.04100 0.04700 1.000 C19 C -0.72600 2.24400 -0.89600 1.000 C20 C 0.40000 0.12300 -0.20400 1.000 C21 C 1.69000 0.85500 0.17200 1.000 C22 C 2.88800 -0.06200 -0.07900 1.000 O23 O 2.82100 -1.18600 0.80200 1.000 C24 C 4.18400 0.71000 0.17800 1.000 C25 C 5.38200 -0.16700 -0.19200 1.000 C26 C 6.67800 0.60500 0.06500 1.000 C27 C 6.75000 1.80800 -0.87800 1.000 C28 C 7.87600 -0.31200 -0.18600 1.000 C29 C 9.16600 0.41900 0.19000 1.000 N30 N 10.31400 -0.45900 -0.05000 1.000 C31 C 11.56200 -0.02300 0.21100 1.000 O32 O 11.73600 1.09600 0.64500 1.000 C33 C 12.74300 -0.92700 -0.03600 1.000 C34 C 12.67000 -2.13000 0.90700 1.000 O35 O 13.95300 -0.20600 0.20400 1.000 H36 H -9.33100 2.98000 -0.07600 1.000 H37 H -7.57600 3.02400 -0.36500 1.000 H38 H -8.61500 1.97700 -1.36000 1.000 H39 H -8.10300 1.65400 1.63400 1.000 H40 H -10.26000 -1.58900 1.10900 1.000 H41 H -10.24300 -0.23200 3.19400 1.000 H42 H -9.26600 -1.70900 3.37700 1.000 H43 H -8.46700 -0.14000 3.11200 1.000 H44 H -7.94300 -2.56300 1.48500 1.000 H45 H -7.47100 -2.49400 -0.84700 1.000 H46 H -7.17500 0.09300 -0.82300 1.000 H47 H -5.84800 2.11800 -0.19700 1.000 H48 H -5.64300 1.45200 1.44100 1.000 H49 H -4.56000 -0.57300 0.44200 1.000 H50 H -5.15100 -0.58700 -3.92800 1.000 H51 H -4.24900 -2.10900 -3.72900 1.000 H52 H -6.00300 -2.06800 -3.43000 1.000 H53 H -3.28200 2.05000 -0.44800 1.000 H54 H -3.23300 1.41600 1.21400 1.000 H55 H -2.10500 -0.63600 0.39800 1.000 H56 H -2.15300 -0.00100 -1.26500 1.000 H57 H -0.78100 1.38800 1.08000 1.000 H58 H -1.58000 2.89700 -0.71700 1.000 H59 H 0.19700 2.79400 -0.71300 1.000 H60 H -0.74400 1.89700 -1.92900 1.000 H61 H 0.30200 -0.77600 0.40300 1.000 H62 H 0.43300 -0.15200 -1.25800 1.000 H63 H 1.78800 1.75500 -0.43600 1.000 H64 H 1.65800 1.13100 1.22600 1.000 H65 H 2.87100 -0.40900 -1.11200 1.000 H66 H 2.83200 -0.95100 1.74000 1.000 H67 H 4.19500 1.61500 -0.43000 1.000 H68 H 4.24300 0.98000 1.23200 1.000 H69 H 5.37200 -1.07200 0.41600 1.000 H70 H 5.32300 -0.43700 -1.24700 1.000 H71 H 6.69600 0.95200 1.09800 1.000 H72 H 6.73300 1.46100 -1.91100 1.000 H73 H 5.89700 2.46100 -0.69900 1.000 H74 H 7.67300 2.35800 -0.69500 1.000 H75 H 7.77900 -1.21200 0.42200 1.000 H76 H 7.90900 -0.58800 -1.24000 1.000 H77 H 9.26400 1.31900 -0.41800 1.000 H78 H 12.72500 -1.27400 -1.06900 1.000 H79 H 12.68800 -1.78300 1.94000 1.000 H80 H 11.74700 -2.68000 0.72400 1.000 H81 H 13.52400 -2.78300 0.72800 1.000 H82 H 14.75500 -0.72700 0.06400 1.000 H83 H 9.13400 0.69500 1.24400 1.000 H84 H 10.17500 -1.35400 -0.39700 1.000