# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CE1' 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 -4.27500 -0.77400 17.59500 1.000 C1 C -3.73700 0.19800 16.54400 1.000 C2 C -3.05600 -0.58700 15.42200 1.000 C3 C -2.51900 0.38500 14.37100 1.000 C4 C -1.83700 -0.40000 13.24900 1.000 C5 C -1.30000 0.57200 12.19800 1.000 C6 C -0.61900 -0.21300 11.07600 1.000 C7 C -0.08100 0.76000 10.02500 1.000 C8 C 0.59900 -0.02600 8.90300 1.000 C9 C 1.13700 0.94700 7.85200 1.000 C10 C 1.81800 0.16100 6.73000 1.000 C11 C 2.35500 1.13400 5.67900 1.000 O12 O 2.99200 0.40000 4.63100 1.000 C13 C 3.47000 1.35900 3.68600 1.000 C14 C 4.16600 0.63500 2.53200 1.000 O15 O 3.23700 -0.24200 1.89100 1.000 C16 C 3.94300 -0.88600 0.82800 1.000 C17 C 3.00100 -1.84500 0.09800 1.000 O18 O 1.89800 -1.11200 -0.43700 1.000 C19 C 1.05900 -2.05800 -1.10400 1.000 C20 C -0.14800 -1.33500 -1.70400 1.000 O21 O 0.30100 -0.35300 -2.64000 1.000 C22 C -0.86600 0.28300 -3.16300 1.000 C23 C -0.45300 1.35100 -4.17800 1.000 O24 O 0.27300 0.73800 -5.24500 1.000 C25 C 0.62800 1.78100 -6.15500 1.000 C26 C 1.41300 1.19000 -7.32700 1.000 O27 O 0.60400 0.22400 -8.00300 1.000 C28 C 1.38800 -0.28900 -9.08100 1.000 C29 C 0.57600 -1.33400 -9.85000 1.000 O30 O -0.60900 -0.72800 -10.36800 1.000 C31 C -1.32000 -1.74900 -11.07100 1.000 C32 C -2.60800 -1.16400 -11.65500 1.000 O33 O -2.28300 -0.10300 -12.55600 1.000 C34 C -3.52000 0.39800 -13.06500 1.000 C35 C -3.24300 1.54300 -14.04100 1.000 O36 O -2.44200 1.06300 -15.12300 1.000 H37 H -3.45000 -1.35500 18.00800 1.000 H38 H -4.76000 -0.21400 18.39400 1.000 H39 H -4.99700 -1.44600 17.13200 1.000 H40 H -4.56200 0.77900 16.13200 1.000 H41 H -3.01500 0.87100 17.00700 1.000 H42 H -2.23100 -1.16800 15.83500 1.000 H43 H -3.77800 -1.25900 14.95900 1.000 H44 H -3.34300 0.96600 13.95900 1.000 H45 H -1.79600 1.05800 14.83400 1.000 H46 H -1.01300 -0.98100 13.66200 1.000 H47 H -2.56000 -1.07200 12.78600 1.000 H48 H -2.12500 1.15400 11.78500 1.000 H49 H -0.57800 1.24500 12.66100 1.000 H50 H 0.20500 -0.79400 11.48900 1.000 H51 H -1.34100 -0.88500 10.61300 1.000 H52 H -0.90600 1.34100 9.61200 1.000 H53 H 0.64000 1.43200 10.48800 1.000 H54 H 1.42400 -0.60700 9.31500 1.000 H55 H -0.12200 -0.69800 8.44000 1.000 H56 H 0.31200 1.52800 7.43900 1.000 H57 H 1.85900 1.61900 8.31500 1.000 H58 H 2.64300 -0.42000 7.14200 1.000 H59 H 1.09600 -0.51100 6.26700 1.000 H60 H 1.53100 1.71500 5.26600 1.000 H61 H 3.07800 1.80600 6.14200 1.000 H62 H 2.63100 1.93700 3.29900 1.000 H63 H 4.17800 2.02800 4.17400 1.000 H64 H 4.53000 1.36600 1.81100 1.000 H65 H 5.00500 0.05600 2.91900 1.000 H66 H 4.31100 -0.13400 0.12900 1.000 H67 H 4.78500 -1.44400 1.23700 1.000 H68 H 3.54000 -2.33500 -0.71200 1.000 H69 H 2.63400 -2.59600 0.79700 1.000 H70 H 1.62200 -2.54600 -1.89900 1.000 H71 H 0.71600 -2.80600 -0.38900 1.000 H72 H -0.78800 -2.05600 -2.21200 1.000 H73 H -0.71100 -0.84600 -0.90800 1.000 H74 H -1.49700 -0.45800 -3.65300 1.000 H75 H -1.42000 0.75000 -2.34900 1.000 H76 H -1.34300 1.83700 -4.57600 1.000 H77 H 0.17700 2.09300 -3.68800 1.000 H78 H -0.27500 2.26200 -6.52800 1.000 H79 H 1.24500 2.51800 -5.64000 1.000 H80 H 1.68400 1.98500 -8.02100 1.000 H81 H 2.31700 0.70900 -6.95400 1.000 H82 H 1.66000 0.52500 -9.75300 1.000 H83 H 2.29300 -0.75000 -8.68600 1.000 H84 H 1.17400 -1.72500 -10.67200 1.000 H85 H 0.30500 -2.14800 -9.17800 1.000 H86 H -0.69800 -2.13600 -11.87800 1.000 H87 H -1.56700 -2.55800 -10.38400 1.000 H88 H -3.15000 -1.94300 -12.19100 1.000 H89 H -3.23000 -0.77800 -10.84800 1.000 H90 H -4.05100 -0.40000 -13.58300 1.000 H91 H -4.13100 0.76500 -12.23900 1.000 H92 H -4.18600 1.92600 -14.42900 1.000 H93 H -2.71200 2.34200 -13.52300 1.000 H94 H -2.29100 1.81300 -15.71400 1.000