# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '074' 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 8.21400 3.12000 0.23800 1.000 C1 C 6.85500 2.62300 -0.25700 1.000 C2 C 6.65700 1.16700 0.17000 1.000 N3 N 5.35500 0.69100 -0.30400 1.000 C4 C 4.96400 -0.57200 -0.04300 1.000 O5 O 5.68900 -1.31400 0.58400 1.000 C6 C 3.62400 -1.06100 -0.53100 1.000 O7 O 3.48900 -2.45200 -0.23500 1.000 C8 C 2.51000 -0.28000 0.16800 1.000 C9 C 1.17700 -0.68200 -0.40700 1.000 O10 O 1.12300 -1.51100 -1.29000 1.000 N11 N 0.04400 -0.11900 0.05900 1.000 C12 C -1.25200 -0.51000 -0.50000 1.000 C13 C -2.24200 0.61000 -0.30500 1.000 O14 O -1.89800 1.63300 0.24700 1.000 C15 C -1.75700 -1.76700 0.21200 1.000 C16 C -1.91300 -1.47800 1.70600 1.000 C17 C -0.75200 -2.90400 0.01400 1.000 C18 C -2.53400 -2.69300 2.39800 1.000 N19 N -3.50900 0.47300 -0.74400 1.000 C20 C -4.57300 1.47900 -0.61500 1.000 C21 C -4.84300 1.75500 0.84200 1.000 O22 O -4.21300 1.17400 1.69400 1.000 C23 C -5.83600 0.89800 -1.28400 1.000 C24 C -5.26000 -0.17600 -2.24500 1.000 C25 C -4.05800 -0.71100 -1.42800 1.000 O26 O -5.78300 2.64700 1.19300 1.000 H27 H 8.25200 3.05100 1.32600 1.000 H28 H 9.00500 2.50500 -0.19200 1.000 H29 H 8.35500 4.15700 -0.06500 1.000 H30 H 6.06400 3.23800 0.17400 1.000 H31 H 6.81700 2.69100 -1.34400 1.000 H32 H 7.44800 0.55200 -0.26100 1.000 H33 H 6.69500 1.09900 1.25700 1.000 H34 H 4.77500 1.28500 -0.80600 1.000 H35 H 3.55200 -0.91000 -1.60800 1.000 H36 H 3.54300 -2.66100 0.70800 1.000 H37 H 2.52700 -0.50000 1.23600 1.000 H38 H 2.66400 0.78900 0.01600 1.000 H39 H 0.08700 0.54400 0.76500 1.000 H40 H -1.14100 -0.71500 -1.56500 1.000 H41 H -2.72100 -2.05700 -0.20500 1.000 H42 H -0.93400 -1.27400 2.14100 1.000 H43 H -2.55900 -0.61200 1.84300 1.000 H44 H -0.64100 -3.10900 -1.05100 1.000 H45 H 0.21200 -2.61300 0.43000 1.000 H46 H -1.11200 -3.79900 0.52100 1.000 H47 H -2.64500 -2.48800 3.46300 1.000 H48 H -3.51300 -2.89700 1.96300 1.000 H49 H -1.88800 -3.56000 2.26000 1.000 H50 H -4.27800 2.39900 -1.12000 1.000 H51 H -6.36900 1.66800 -1.84200 1.000 H52 H -6.48700 0.44000 -0.54000 1.000 H53 H -4.92700 0.27500 -3.18000 1.000 H54 H -5.98900 -0.96500 -2.43200 1.000 H55 H -3.31200 -1.14600 -2.09300 1.000 H56 H -4.39400 -1.44900 -0.69900 1.000 H57 H -5.92000 2.79100 2.13900 1.000