# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1Y' 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 2.23300 -0.50600 -0.34300 1.000 C1 C 3.37700 0.30300 -0.22300 1.000 C2 C 4.49400 -0.22700 0.43400 1.000 C3 C -0.15100 -0.12300 -1.43000 1.000 C4 C -4.73800 0.02100 0.07000 1.000 C5 C -5.22500 -1.42900 0.04400 1.000 C6 C 1.82100 1.48700 -1.31800 1.000 C7 C -6.68400 -1.46900 -0.41500 1.000 O8 O -2.75700 2.01000 1.90500 1.000 C9 C -2.75300 1.51400 0.56500 1.000 C10 C -1.31200 1.43600 0.02800 1.000 N11 N -1.03300 0.01300 -0.26300 1.000 C12 C -2.35500 -0.61400 -0.51900 1.000 C13 C -3.27900 0.06100 0.52900 1.000 C14 C 1.24600 0.29900 -1.05500 1.000 N15 N 2.25200 -1.74000 0.16900 1.000 N16 N 3.09300 1.50500 -0.82600 1.000 N17 N 5.64900 0.52300 0.58300 1.000 N18 N 4.42200 -1.46600 0.91200 1.000 C19 C 3.32600 -2.19200 0.77800 1.000 H20 H -0.14100 -1.16300 -1.75800 1.000 H21 H -0.51700 0.51000 -2.23800 1.000 H22 H -4.81600 0.44900 -0.93000 1.000 H23 H -5.35200 0.59800 0.76100 1.000 H24 H -4.61100 -2.00600 -0.64700 1.000 H25 H -5.14700 -1.85700 1.04300 1.000 H26 H 1.34500 2.30500 -1.83900 1.000 H27 H -7.29800 -0.89200 0.27600 1.000 H28 H -6.76200 -1.04100 -1.41500 1.000 H29 H -7.03100 -2.50200 -0.43400 1.000 H30 H -2.41600 2.91100 1.99200 1.000 H31 H -3.36100 2.15300 -0.07500 1.000 H32 H -1.22300 2.02600 -0.88500 1.000 H33 H -0.61500 1.80800 0.77900 1.000 H34 H -2.69700 -0.39300 -1.53000 1.000 H35 H -2.30900 -1.69000 -0.35500 1.000 H36 H -3.16900 -0.41500 1.50300 1.000 H37 H 3.70600 2.25400 -0.89300 1.000 H38 H 5.69000 1.42600 0.23000 1.000 H39 H 6.41700 0.14500 1.04000 1.000 H40 H 3.31200 -3.19300 1.18200 1.000