# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CBW' 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 -3.41700 -1.95000 0.21600 1.000 C1 C -4.93700 -2.06300 0.11600 1.000 C2 C -5.59000 -1.00600 1.00100 1.000 C3 C -5.16200 0.40500 0.58300 1.000 C4 C -3.65500 0.51300 0.48900 1.000 C5 C -3.18600 1.88300 0.00500 1.000 C6 C -1.69900 2.02000 0.37400 1.000 C7 C -0.87700 0.92900 -0.29600 1.000 C8 C -1.45800 -0.46100 -0.07100 1.000 C9 C -2.96100 -0.58000 -0.32000 1.000 C10 C -0.65800 -1.42800 -0.91700 1.000 C11 C 0.80600 -1.29700 -0.82600 1.000 C12 C 1.37000 -0.19100 -0.32900 1.000 C13 C 0.57700 0.96800 0.19300 1.000 C14 C 1.21500 2.31100 -0.14000 1.000 C15 C 2.73100 2.28800 0.05800 1.000 C16 C 3.36400 1.20300 -0.80700 1.000 C17 C 2.88900 -0.16500 -0.32100 1.000 C18 C -3.30600 -0.51500 -1.80300 1.000 C19 C 3.41200 -0.45600 1.08000 1.000 C20 C 4.94000 -0.39300 1.12000 1.000 C21 C 5.40700 0.98400 0.65100 1.000 C22 C 4.88800 1.29300 -0.74600 1.000 C23 C -5.88300 0.82200 -0.69500 1.000 C24 C -5.64500 1.35200 1.70900 1.000 C25 C -0.82600 1.22000 -1.80500 1.000 C26 C 0.54200 0.84600 1.72400 1.000 C27 C 2.94100 1.38800 -2.26900 1.000 C28 C 5.53600 -1.47400 0.26100 1.000 C29 C 5.40100 -0.60300 2.57000 1.000 O30 O -7.01400 -1.11200 0.89700 1.000 O31 O -1.14900 -2.28700 -1.61500 1.000 O32 O 4.81400 -2.23700 -0.33700 1.000 O33 O 6.86900 -1.59200 0.15900 1.000 H34 H -3.10900 -2.04500 1.25600 1.000 H35 H -2.95300 -2.73700 -0.37700 1.000 H36 H -5.27400 -1.96700 -0.91000 1.000 H37 H -5.23800 -3.05600 0.47700 1.000 H38 H -5.29800 -1.17200 2.04000 1.000 H39 H -7.36600 -1.97000 1.17000 1.000 H40 H -3.26600 0.41100 1.53300 1.000 H41 H -6.94800 0.93000 -0.49200 1.000 H42 H -5.48100 1.77200 -1.04500 1.000 H43 H -5.73400 0.06000 -1.46100 1.000 H44 H -5.17900 1.06300 2.65100 1.000 H45 H -5.36600 2.37800 1.46600 1.000 H46 H -6.72800 1.28200 1.80300 1.000 H47 H -3.31900 2.00200 -1.06200 1.000 H48 H -3.73200 2.67600 0.52000 1.000 H49 H -1.34900 3.00100 0.04200 1.000 H50 H -1.63100 1.97400 1.45900 1.000 H51 H -1.29800 -0.74500 0.98900 1.000 H52 H -0.27300 2.14400 -1.97900 1.000 H53 H -0.32700 0.39700 -2.31700 1.000 H54 H -1.84000 1.32600 -2.19000 1.000 H55 H -4.32700 -0.86500 -1.95400 1.000 H56 H -3.21900 0.51400 -2.15100 1.000 H57 H -2.61800 -1.14800 -2.36300 1.000 H58 H 1.43400 -2.10900 -1.16400 1.000 H59 H 3.24700 -0.93400 -1.02000 1.000 H60 H 0.98800 2.66900 -1.13400 1.000 H61 H 0.80500 3.06200 0.56300 1.000 H62 H 0.17300 -0.14200 2.00100 1.000 H63 H 1.54800 0.98300 2.12200 1.000 H64 H -0.11900 1.60900 2.13500 1.000 H65 H 3.13900 3.26100 -0.23600 1.000 H66 H 2.96700 2.11600 1.10600 1.000 H67 H 5.32000 0.60400 -1.47300 1.000 H68 H 5.18800 2.30900 -1.02400 1.000 H69 H 3.26900 2.36600 -2.62200 1.000 H70 H 3.39700 0.61000 -2.88100 1.000 H71 H 1.85600 1.32000 -2.34500 1.000 H72 H 3.03100 0.28000 1.78900 1.000 H73 H 3.08800 -1.45100 1.39300 1.000 H74 H 5.05000 1.74400 1.35100 1.000 H75 H 6.50100 1.01000 0.64600 1.000 H76 H 5.06000 -1.57700 2.92200 1.000 H77 H 6.48900 -0.56100 2.61500 1.000 H78 H 4.98000 0.17900 3.20200 1.000 H79 H 7.20500 -2.30200 -0.40500 1.000