# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CEI' 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 -0.99600 -0.04800 2.27200 1.000 C1 C 0.11200 -0.53300 2.34600 1.000 C2 C 0.74500 -0.76400 3.69400 1.000 C3 C -0.20000 -0.31200 4.77700 1.000 C4 C -0.15100 0.99100 5.23500 1.000 C5 C -1.02000 1.41000 6.22400 1.000 C6 C -1.93500 0.51800 6.76500 1.000 O7 O -2.78700 0.92600 7.74200 1.000 C8 C -1.98200 -0.78800 6.30400 1.000 C9 C -1.11400 -1.20100 5.31100 1.000 N10 N 0.77900 -0.86400 1.22300 1.000 C11 C 0.19400 -0.65000 -0.02300 1.000 C12 C 0.88600 -0.98800 -1.18300 1.000 C13 C 2.26400 -1.59000 -1.08900 1.000 C14 C 3.29500 -0.49100 -1.11000 1.000 C15 C 3.82200 -0.06100 -2.31300 1.000 C16 C 4.76500 0.95000 -2.33300 1.000 C17 C 5.18600 1.52400 -1.14800 1.000 C18 C 4.66300 1.09000 0.05400 1.000 C19 C 3.71700 0.08200 0.07300 1.000 N20 N 0.33100 -0.79100 -2.36300 1.000 C21 C -0.88500 -0.26000 -2.44600 1.000 C22 C -1.57400 0.08200 -1.28300 1.000 N23 N -1.01900 -0.12000 -0.10300 1.000 C24 C -1.50700 -0.03300 -3.77200 1.000 C25 C -2.24100 1.12800 -4.01000 1.000 C26 C -2.81800 1.33600 -5.24400 1.000 C27 C -2.66900 0.39100 -6.25000 1.000 O28 O -3.24000 0.59900 -7.46600 1.000 C29 C -1.93900 -0.76500 -6.01700 1.000 C30 C -1.35500 -0.97700 -4.78600 1.000 H31 H 0.95800 -1.82600 3.81800 1.000 H32 H 1.67300 -0.19700 3.76200 1.000 H33 H 0.56300 1.68400 4.81700 1.000 H34 H -0.98200 2.42800 6.58100 1.000 H35 H -2.34500 0.76100 8.58600 1.000 H36 H -2.69600 -1.48300 6.72100 1.000 H37 H -1.15000 -2.21900 4.95200 1.000 H38 H 1.66600 -1.25200 1.28200 1.000 H39 H 2.42700 -2.25700 -1.93600 1.000 H40 H 2.35200 -2.15300 -0.16000 1.000 H41 H 3.49300 -0.51000 -3.23900 1.000 H42 H 5.17300 1.28900 -3.27300 1.000 H43 H 5.92400 2.31200 -1.16300 1.000 H44 H 4.99200 1.53900 0.98000 1.000 H45 H 3.30800 -0.25600 1.01400 1.000 H46 H -2.56200 0.51400 -1.34900 1.000 H47 H -2.35800 1.86300 -3.22700 1.000 H48 H -3.38700 2.23600 -5.42900 1.000 H49 H -2.58800 1.06900 -8.00400 1.000 H50 H -1.82400 -1.49900 -6.80200 1.000 H51 H -0.78600 -1.87700 -4.60500 1.000