# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CII' 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 -17.75600 0.61300 69.15000 1.000 C1 C -17.57800 -0.22600 69.99900 1.000 C2 C -18.76500 -0.74900 70.74900 1.000 C3 C -18.90300 -0.26200 72.17500 1.000 C4 C -20.22400 -0.75000 72.78100 1.000 C5 C -20.86100 -1.86300 71.96200 1.000 C6 C -19.81400 -2.89200 71.56200 1.000 C7 C -18.70800 -2.27000 70.71300 1.000 N8 N -16.36000 -0.71600 70.21500 1.000 C9 C -15.31100 -0.17100 69.35900 1.000 C10 C -13.95000 -0.25200 70.05400 1.000 C11 C -13.59200 -1.64400 70.53400 1.000 C12 C -13.79800 0.73400 71.20800 1.000 C13 C -15.31600 -0.96400 68.07500 1.000 O14 O -14.88900 -0.47800 67.03800 1.000 N15 N -15.83700 -2.19200 68.17400 1.000 C16 C -15.95400 -3.10500 67.11200 1.000 C17 C -15.28900 -2.94400 65.89600 1.000 C18 C -15.68700 -3.96000 65.27000 1.000 N19 N -16.30400 -5.03700 65.09200 1.000 C20 C -16.95200 -5.20600 66.26700 1.000 C21 C -16.76700 -4.24200 67.27500 1.000 H22 H -19.65800 -0.35200 70.24300 1.000 H23 H -16.17700 -1.40800 70.91300 1.000 H24 H -18.06600 -0.65200 72.77200 1.000 H25 H -18.89300 0.83800 72.17900 1.000 H26 H -18.83000 -2.60500 69.67200 1.000 H27 H -17.73800 -2.59000 71.12100 1.000 H28 H -20.02400 -1.13200 73.79300 1.000 H29 H -20.92200 0.10000 72.79600 1.000 H30 H -21.63900 -2.35500 72.56400 1.000 H31 H -21.30200 -1.43000 71.05200 1.000 H32 H -19.36500 -3.31300 72.47400 1.000 H33 H -20.30900 -3.67300 70.96500 1.000 H34 H -15.49800 0.89200 69.14700 1.000 H35 H -13.24100 0.02900 69.26100 1.000 H36 H -13.50500 -2.31900 69.67000 1.000 H37 H -12.63300 -1.61100 71.07100 1.000 H38 H -14.37800 -2.01200 71.20900 1.000 H39 H -13.76100 0.18300 72.15900 1.000 H40 H -12.86800 1.30700 71.08000 1.000 H41 H -14.65500 1.42300 71.21600 1.000 H42 H -14.61600 -2.16100 65.57900 1.000 H43 H -17.27300 -4.38100 68.21900 1.000 H44 H -15.21300 -3.82200 64.31000 1.000 H45 H -16.16800 -2.48200 69.07200 1.000 H46 H -17.59500 -6.05900 66.42700 1.000