# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C91' 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 -0.03900 -0.33800 0.48800 1.000 C1 C -0.06000 -0.12300 -0.70600 1.000 N2 N -1.22200 0.18900 -1.31400 1.000 C3 C -2.41800 0.17100 -0.58900 1.000 C4 C -2.41900 0.56300 0.75500 1.000 C5 C -3.56600 0.55500 1.48400 1.000 C6 C -4.77300 0.14900 0.88700 1.000 C7 C -5.97300 0.12700 1.61800 1.000 C8 C -7.12300 -0.27600 1.01200 1.000 C9 C -7.13100 -0.66800 -0.32500 1.000 C10 C -5.98800 -0.65900 -1.06400 1.000 C11 C -4.78100 -0.24900 -0.47300 1.000 C12 C -3.58300 -0.22700 -1.20600 1.000 C13 C 1.21400 -0.19800 -1.50700 1.000 N14 N 2.32800 -0.54400 -0.62200 1.000 C15 C 3.12500 0.33300 0.06300 1.000 C16 C 2.99500 1.80700 0.02700 1.000 C17 C 3.87000 2.59600 0.77200 1.000 C18 C 3.73600 3.97400 0.72700 1.000 C19 C 2.73200 4.51600 -0.06100 1.000 C20 C 1.89900 3.67300 -0.77500 1.000 N21 N 2.05000 2.36700 -0.71900 1.000 N22 N 4.01800 -0.32800 0.75600 1.000 C23 C 3.85300 -1.65800 0.56100 1.000 C24 C 2.76700 -1.81700 -0.31900 1.000 C25 C 2.36500 -3.09100 -0.69500 1.000 C26 C 3.03200 -4.19200 -0.20100 1.000 C27 C 4.10200 -4.03600 0.66900 1.000 C28 C 4.51700 -2.79100 1.04600 1.000 H29 H -1.22900 0.42600 -2.25500 1.000 H30 H -1.49500 0.87700 1.21900 1.000 H31 H -3.55100 0.86000 2.52000 1.000 H32 H -5.98200 0.42700 2.65500 1.000 H33 H -8.04400 -0.29200 1.57600 1.000 H34 H -8.05800 -0.98300 -0.78200 1.000 H35 H -6.00900 -0.96600 -2.09900 1.000 H36 H -3.57400 -0.52800 -2.24300 1.000 H37 H 1.11300 -0.96000 -2.28000 1.000 H38 H 1.40700 0.76900 -1.97300 1.000 H39 H 4.64100 2.14000 1.37500 1.000 H40 H 4.39900 4.61100 1.29300 1.000 H41 H 2.60200 5.58700 -0.11700 1.000 H42 H 1.11600 4.09300 -1.38900 1.000 H43 H 1.53300 -3.22000 -1.37200 1.000 H44 H 2.71900 -5.18400 -0.49400 1.000 H45 H 4.61500 -4.90700 1.04800 1.000 H46 H 5.35000 -2.68100 1.72400 1.000