# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J82' 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 -2.75300 0.74900 0.20700 1.000 N1 N -3.63100 -0.30800 0.34200 1.000 C2 C -4.96500 -0.26800 -0.27800 1.000 C3 C -5.16700 -1.56200 -1.07400 1.000 O4 O -4.89300 -2.68200 -0.22900 1.000 C5 C -3.54500 -2.74100 0.24500 1.000 C6 C -3.25800 -1.51000 1.10500 1.000 N7 N -1.42900 0.52800 0.17700 1.000 C8 C -0.58100 1.51100 0.05000 1.000 N9 N -0.99100 2.79000 -0.05600 1.000 C10 C -2.30700 3.08800 -0.03400 1.000 C11 C -3.23200 2.04300 0.09700 1.000 O12 O -2.68400 4.24500 -0.12900 1.000 C13 C 0.89500 1.20700 0.02100 1.000 C14 C 1.10500 -0.27900 0.15500 1.000 O15 O 0.15000 -1.01900 0.26300 1.000 N16 N 2.35400 -0.78500 0.15500 1.000 C17 C 4.21800 -2.27300 0.22400 1.000 C18 C 2.68300 -2.20800 0.27800 1.000 C19 C 4.65500 -0.83300 0.06500 1.000 C20 C 3.52500 -0.03100 0.03100 1.000 C21 C 3.67700 1.34900 -0.11400 1.000 C22 C 4.93600 1.90100 -0.22200 1.000 C23 C 6.05700 1.09200 -0.18800 1.000 C24 C 5.91300 -0.27500 -0.04400 1.000 C25 C 2.07700 -2.99600 -0.88500 1.000 H26 H -4.29300 2.24400 0.11500 1.000 H27 H -5.72800 -0.19100 0.49700 1.000 H28 H -5.03300 0.59000 -0.94700 1.000 H29 H -2.19700 -1.47400 1.35000 1.000 H30 H -3.84600 -1.56000 2.02100 1.000 H31 H -6.19700 -1.61500 -1.42700 1.000 H32 H -4.48800 -1.57400 -1.92700 1.000 H33 H -3.40900 -3.64300 0.84200 1.000 H34 H -2.86100 -2.75700 -0.60300 1.000 H35 H -0.33700 3.50100 -0.14900 1.000 H36 H 1.31800 1.55100 -0.92300 1.000 H37 H 1.38700 1.72000 0.84800 1.000 H38 H 2.32200 -2.59900 1.23000 1.000 H39 H 4.61400 -2.69200 1.14900 1.000 H40 H 4.54400 -2.86300 -0.63300 1.000 H41 H 2.47600 -2.61800 -1.82600 1.000 H42 H 2.33000 -4.05100 -0.78000 1.000 H43 H 0.99300 -2.87900 -0.87700 1.000 H44 H 6.78800 -0.90900 -0.02000 1.000 H45 H 2.80600 1.98600 -0.14200 1.000 H46 H 5.04700 2.97000 -0.33400 1.000 H47 H 7.04100 1.52800 -0.27400 1.000