# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C88' 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 4.02600 -0.13500 0.61500 1.000 C1 C 4.86000 -0.82200 1.69900 1.000 N2 N 6.06300 -1.40800 1.09400 1.000 C3 C 5.71300 -2.43200 0.10100 1.000 C4 C 4.90500 -1.79300 -1.03000 1.000 C5 C 3.63500 -1.16200 -0.45100 1.000 C6 C 2.85300 -0.46900 -1.56800 1.000 N7 N 1.58200 0.03100 -1.03800 1.000 N8 N 0.38200 -0.68700 -1.00500 1.000 C9 C 1.38700 1.26600 -0.49400 1.000 N10 N 2.16800 2.32400 -0.27600 1.000 C11 C 1.68400 3.41100 0.28400 1.000 N12 N 0.42100 3.51900 0.65800 1.000 C13 C -0.43500 2.51800 0.48200 1.000 N14 N -1.75500 2.63700 0.87400 1.000 C15 C 0.03400 1.33500 -0.11300 1.000 C16 C -0.56200 0.04700 -0.46700 1.000 C17 C -1.97300 -0.35500 -0.25400 1.000 C18 C -3.00600 0.52600 -0.57100 1.000 C19 C -4.31800 0.14900 -0.37300 1.000 C20 C -5.43500 1.10100 -0.71600 1.000 C21 C -4.61000 -1.10600 0.14200 1.000 O22 O -5.90300 -1.47500 0.33700 1.000 C23 C -6.13200 -2.78100 0.87000 1.000 C24 C -3.58400 -1.98600 0.45900 1.000 C25 C -2.27000 -1.61700 0.25800 1.000 H26 H 3.12500 0.28600 1.06200 1.000 H27 H 4.61100 0.66200 0.15600 1.000 H28 H 5.15200 -0.09000 2.45200 1.000 H29 H 4.26900 -1.61000 2.16700 1.000 H30 H 6.67600 -1.78500 1.80100 1.000 H31 H 6.62500 -2.86900 -0.30600 1.000 H32 H 5.11800 -3.21200 0.57700 1.000 H33 H 5.50400 -1.02300 -1.51500 1.000 H34 H 4.63200 -2.55600 -1.75900 1.000 H35 H 3.01700 -1.93800 0.00100 1.000 H36 H 3.43800 0.36500 -1.95700 1.000 H37 H 2.65800 -1.18000 -2.37000 1.000 H38 H 2.34500 4.24900 0.44500 1.000 H39 H -2.12900 3.51300 1.05600 1.000 H40 H -2.30600 1.84500 0.96800 1.000 H41 H -2.77900 1.50300 -0.97200 1.000 H42 H -5.73800 0.94700 -1.75100 1.000 H43 H -6.28400 0.91700 -0.05700 1.000 H44 H -5.09000 2.12700 -0.58700 1.000 H45 H -7.20500 -2.94700 0.97500 1.000 H46 H -5.71300 -3.52700 0.19500 1.000 H47 H -5.65400 -2.86400 1.84600 1.000 H48 H -3.81400 -2.96300 0.85900 1.000 H49 H -1.47300 -2.30200 0.50400 1.000