# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JQ' 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 7.66500 -1.99800 -0.07400 1.000 O1 O 6.29500 -2.38400 0.06000 1.000 C2 C 5.36700 -1.39300 0.00400 1.000 C3 C 5.77100 -0.10200 -0.18000 1.000 C4 C 4.00600 -1.71300 0.13000 1.000 O5 O 3.63300 -3.00700 0.30600 1.000 C6 C 2.23400 -3.26800 0.42800 1.000 C7 C 3.05300 -0.73500 0.07700 1.000 C8 C 3.44000 0.59600 -0.10400 1.000 C9 C 4.81400 0.92400 -0.23800 1.000 N10 N 5.16500 2.20100 -0.41700 1.000 N11 N 4.29400 3.14200 -0.47100 1.000 C12 C 2.99100 2.93800 -0.35700 1.000 C13 C 2.49500 1.65300 -0.16700 1.000 C14 C 1.04300 1.39700 -0.04200 1.000 C15 C 0.26400 2.14600 0.85000 1.000 C16 C -1.08600 1.87200 0.93200 1.000 C17 C -1.96600 2.65000 1.87600 1.000 C18 C 0.42900 0.41300 -0.81500 1.000 N19 N -0.86300 0.18200 -0.70600 1.000 C20 C -1.62700 0.86800 0.13200 1.000 N21 N -2.98400 0.58700 0.20800 1.000 C22 C -3.21100 -0.79400 0.65300 1.000 C23 C -4.70800 -1.02300 0.86600 1.000 C24 C -3.64900 0.84700 -1.07400 1.000 C25 C -5.16000 0.66700 -0.91300 1.000 C26 C -5.45200 -0.76200 -0.44700 1.000 C27 C -6.95600 -0.93000 -0.22500 1.000 C28 C -7.43000 0.06600 0.83600 1.000 C29 C -7.69700 -0.66900 -1.53800 1.000 O30 O -7.22600 -2.26200 0.21700 1.000 H31 H 7.92700 -1.30500 0.72500 1.000 H32 H 8.29900 -2.88200 -0.01200 1.000 H33 H 7.81200 -1.51200 -1.03900 1.000 H34 H 6.82100 0.12900 -0.27900 1.000 H35 H 2.07400 -4.33800 0.56400 1.000 H36 H 1.83700 -2.72900 1.28800 1.000 H37 H 1.72200 -2.93700 -0.47600 1.000 H38 H 2.00700 -0.98900 0.17500 1.000 H39 H 2.31000 3.77300 -0.41200 1.000 H40 H 0.70900 2.91900 1.45900 1.000 H41 H -2.43600 3.47400 1.33900 1.000 H42 H -2.73700 1.99300 2.28000 1.000 H43 H -1.36200 3.04600 2.69300 1.000 H44 H 1.02000 -0.16700 -1.50900 1.000 H45 H -2.84200 -1.48500 -0.10500 1.000 H46 H -2.68000 -0.96600 1.59000 1.000 H47 H -4.87800 -2.05300 1.18100 1.000 H48 H -5.07500 -0.34200 1.63400 1.000 H49 H -3.43700 1.86800 -1.39300 1.000 H50 H -3.27800 0.14900 -1.82400 1.000 H51 H -5.53400 1.37500 -0.17300 1.000 H52 H -5.65200 0.84600 -1.86900 1.000 H53 H -5.11300 -1.46900 -1.20400 1.000 H54 H -7.22400 1.08100 0.49800 1.000 H55 H -8.50200 -0.05400 0.99300 1.000 H56 H -6.90200 -0.12100 1.77100 1.000 H57 H -7.36000 -1.37800 -2.29300 1.000 H58 H -8.76900 -0.78800 -1.38000 1.000 H59 H -7.49100 0.34700 -1.87500 1.000 H60 H -8.16300 -2.44000 0.37800 1.000