# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9H6' 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 2.25400 0.00500 0.01200 1.000 C1 C 2.82000 -1.26300 -0.58100 1.000 C2 C 5.07800 -2.13800 -1.11900 1.000 C3 C 4.56600 0.11400 -0.09900 1.000 C4 C -5.97500 0.16600 0.60600 1.000 C5 C -4.49700 -0.02300 0.39800 1.000 C6 C -3.76800 -0.71500 1.38800 1.000 C7 C -1.83800 -0.42400 0.09900 1.000 C8 C 0.16200 -0.22100 -1.32900 1.000 C9 C 1.34200 0.69900 -0.99600 1.000 C10 C 5.83900 0.66000 0.05200 1.000 C11 C 5.99400 1.91900 0.59300 1.000 C12 C 4.88800 2.64900 0.99000 1.000 C13 C 3.62100 2.11500 0.84300 1.000 C14 C 3.46300 0.85800 0.30300 1.000 C15 C 1.49600 -0.30500 1.30000 1.000 C16 C 0.31700 -1.23200 0.98400 1.000 C17 C -3.83900 0.44200 -0.69600 1.000 C18 C -4.52800 1.20900 -1.79300 1.000 C19 C -6.03900 0.99600 -1.73200 1.000 C20 C -6.50800 1.27500 -0.29900 1.000 N21 N -2.44500 -0.90400 1.21800 1.000 N22 N -0.49500 -0.61900 -0.07700 1.000 N23 N 4.15700 -1.11900 -0.61000 1.000 N24 N -2.52300 0.22500 -0.81700 1.000 O25 O -4.33000 -1.13800 2.38600 1.000 O26 O 2.19000 -2.22800 -0.95900 1.000 H27 H 5.24200 -1.98000 -2.18500 1.000 H28 H 6.02900 -2.06600 -0.59100 1.000 H29 H 4.64900 -3.12800 -0.96000 1.000 H30 H -6.49200 -0.76600 0.37600 1.000 H31 H -6.16000 0.43100 1.64700 1.000 H32 H -0.55000 0.31200 -1.96100 1.000 H33 H 0.52400 -1.10500 -1.85300 1.000 H34 H 0.96800 1.62900 -0.56800 1.000 H35 H 1.90200 0.91500 -1.90500 1.000 H36 H 6.70700 0.09500 -0.25500 1.000 H37 H 6.98300 2.33700 0.70800 1.000 H38 H 5.01400 3.63500 1.41400 1.000 H39 H 2.75500 2.68200 1.15200 1.000 H40 H 2.16500 -0.79500 2.00700 1.000 H41 H 1.12300 0.62300 1.73500 1.000 H42 H 0.69200 -2.19800 0.64600 1.000 H43 H -0.29000 -1.36800 1.87900 1.000 H44 H -4.31000 2.27100 -1.68000 1.000 H45 H -4.15600 0.86700 -2.75900 1.000 H46 H -6.53500 1.68000 -2.42000 1.000 H47 H -6.27600 -0.03300 -2.00200 1.000 H48 H -7.59800 1.28500 -0.26400 1.000 H49 H -6.12100 2.23800 0.03400 1.000 H50 H -1.92800 -1.37800 1.88900 1.000