# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '985' 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 -0.01100 0.73100 0.07600 1.000 N1 N -1.22200 0.18100 0.10000 1.000 C2 C -2.29700 0.95600 0.13800 1.000 C3 C -2.15500 2.34200 0.15200 1.000 N4 N -0.95100 2.88500 0.12800 1.000 C5 C 0.12300 2.11700 0.09100 1.000 N6 N -3.56400 0.38700 0.16200 1.000 C7 C -3.81300 -0.37300 -1.03900 1.000 C8 C -5.26900 -0.25100 -1.52300 1.000 N9 N -6.25000 -0.31100 -0.41400 1.000 C10 C -5.95400 -1.30700 0.58600 1.000 C11 C -5.14000 -0.64500 1.71700 1.000 C12 C -3.73500 -0.47900 1.35200 1.000 C13 C -7.61700 -0.47000 -0.92700 1.000 C14 C 3.44400 -1.76600 -0.02800 1.000 C15 C 2.18400 -2.32700 -0.00300 1.000 C16 C 1.06200 -1.52000 0.03100 1.000 C17 C 1.19600 -0.13200 0.04000 1.000 C18 C 2.46200 0.44300 0.01500 1.000 C19 C 3.59300 -0.37500 -0.01900 1.000 C20 C 4.93700 0.22400 -0.04600 1.000 C21 C 6.02800 -0.56900 -0.07800 1.000 C22 C 7.36400 0.02600 -0.10500 1.000 O23 O 8.45500 -0.76700 -0.13700 1.000 O24 O 7.49100 1.23500 -0.09700 1.000 H25 H -3.03000 2.97400 0.18300 1.000 H26 H 1.10500 2.56500 0.07200 1.000 H27 H -3.14900 -0.01500 -1.82600 1.000 H28 H -3.59500 -1.42300 -0.84400 1.000 H29 H -5.38800 0.69800 -2.04700 1.000 H30 H -5.47700 -1.06300 -2.22000 1.000 H31 H -6.88400 -1.70700 0.99100 1.000 H32 H -5.37000 -2.11200 0.13900 1.000 H33 H -5.56800 0.33400 1.93600 1.000 H34 H -5.20200 -1.26600 2.61000 1.000 H35 H -3.30600 -1.45800 1.14100 1.000 H36 H -3.20100 -0.03400 2.19200 1.000 H37 H -7.70200 -1.42700 -1.44200 1.000 H38 H -8.32300 -0.44000 -0.09700 1.000 H39 H -7.84000 0.33900 -1.62300 1.000 H40 H 4.31700 -2.40200 -0.05000 1.000 H41 H 2.07300 -3.40100 -0.01000 1.000 H42 H 0.07900 -1.96600 0.05100 1.000 H43 H 2.57000 1.51800 0.02200 1.000 H44 H 5.05000 1.29800 -0.03900 1.000 H45 H 5.91500 -1.64300 -0.08500 1.000 H46 H 9.29200 -0.28300 -0.15300 1.000