# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RJW' 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 0.75000 -3.33100 -2.84200 1.000 C1 C 0.41500 -2.04600 -2.31600 1.000 C2 C 0.70100 -0.95600 -3.36000 1.000 C3 C 1.36400 0.21600 -2.62200 1.000 C4 C 1.47500 -0.17700 -1.14400 1.000 C5 C 2.79000 0.25700 -0.55000 1.000 C6 C 3.15300 -0.15400 0.82300 1.000 C7 C 3.36500 -1.50100 1.11800 1.000 C8 C 3.70400 -1.87800 2.40100 1.000 C9 C 3.83300 -0.92400 3.39400 1.000 C10 C 3.62400 0.41400 3.10800 1.000 C11 C 3.29000 0.80400 1.82800 1.000 C12 C 3.62200 1.00800 -1.25900 1.000 C13 C 1.30500 -1.72100 -1.10200 1.000 C14 C 0.46900 -1.90100 0.18600 1.000 C15 C -0.26200 -0.59000 0.36000 1.000 C16 C -1.46200 -0.39100 1.25000 1.000 C17 C -2.73100 -0.78200 0.49100 1.000 C18 C -3.94900 -0.58000 1.39500 1.000 C19 C -5.21800 -0.97200 0.63500 1.000 C20 C -6.43600 -0.77000 1.53900 1.000 C21 C -7.70500 -1.16100 0.77900 1.000 C22 C 0.29300 0.35800 -0.37400 1.000 C23 C -0.18000 1.75800 -0.43200 1.000 C24 C -1.42300 2.05400 -0.99200 1.000 C25 C -1.85900 3.36200 -1.04400 1.000 C26 C -1.06600 4.37900 -0.54200 1.000 C27 C 0.16800 4.09200 0.01400 1.000 C28 C 0.61200 2.78700 0.07700 1.000 H29 H 0.23200 -3.58600 -3.61800 1.000 H30 H -0.63600 -2.02100 -2.02800 1.000 H31 H 1.37600 -1.34200 -4.12400 1.000 H32 H -0.23100 -0.62900 -3.82000 1.000 H33 H 2.35700 0.39800 -3.03300 1.000 H34 H 0.75100 1.11200 -2.72400 1.000 H35 H 3.26400 -2.24700 0.34400 1.000 H36 H 3.86900 -2.92000 2.63100 1.000 H37 H 4.09800 -1.22400 4.39800 1.000 H38 H 3.72600 1.15400 3.88800 1.000 H39 H 3.13200 1.84900 1.60500 1.000 H40 H 3.30900 1.40700 -2.21200 1.000 H41 H 4.61200 1.22000 -0.88200 1.000 H42 H 2.24900 -2.26600 -1.10100 1.000 H43 H -0.24300 -2.71800 0.06500 1.000 H44 H 1.12100 -2.08900 1.03800 1.000 H45 H -1.36200 -1.01500 2.13800 1.000 H46 H -1.52400 0.65600 1.54700 1.000 H47 H -2.83000 -0.15800 -0.39800 1.000 H48 H -2.66800 -1.82900 0.19400 1.000 H49 H -3.85000 -1.20400 2.28300 1.000 H50 H -4.01100 0.46700 1.69100 1.000 H51 H -5.31700 -0.34800 -0.25300 1.000 H52 H -5.15500 -2.01900 0.33800 1.000 H53 H -6.33700 -1.39400 2.42700 1.000 H54 H -6.49800 0.27700 1.83600 1.000 H55 H -8.57300 -1.01800 1.42300 1.000 H56 H -7.80400 -0.53700 -0.10900 1.000 H57 H -7.64200 -2.20800 0.48300 1.000 H58 H -2.04300 1.26200 -1.38400 1.000 H59 H -2.82100 3.59300 -1.47700 1.000 H60 H -1.40900 5.40200 -0.59000 1.000 H61 H 0.78200 4.89000 0.40400 1.000 H62 H 1.57600 2.56400 0.51200 1.000