# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9D5' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 4.53500 -0.95100 1.45100 1.000 C1 C 5.29000 -1.06500 0.24400 1.000 C2 C 4.33700 -1.10300 -0.95300 1.000 N3 N 3.63200 0.17700 -1.05600 1.000 C4 C 4.20000 1.26500 -1.85500 1.000 C5 C 2.41700 0.36000 -0.39100 1.000 C6 C 1.74600 1.57300 -0.48800 1.000 C7 C 0.54500 1.75100 0.17100 1.000 C8 C 1.87300 -0.67200 0.36300 1.000 C9 C 0.67200 -0.48800 1.01900 1.000 C10 C 0.01000 0.72300 0.92600 1.000 C11 C -1.30000 0.92100 1.64300 1.000 N12 N -1.99400 -0.36800 1.75200 1.000 C13 C -2.62100 -0.88200 0.62200 1.000 C14 C -2.75700 -2.24400 0.41500 1.000 C15 C -3.38500 -2.70200 -0.72700 1.000 C16 C -3.87800 -1.81000 -1.66700 1.000 C17 C -3.75100 -0.44900 -1.47500 1.000 C18 C -3.12200 0.02600 -0.32700 1.000 C19 C -2.96400 1.46900 -0.07000 1.000 O20 O -3.58800 2.28200 -0.72500 1.000 N21 N -2.12100 1.87500 0.89700 1.000 H22 H 5.07600 -0.92200 2.25200 1.000 H23 H 5.95700 -0.20700 0.15000 1.000 H24 H 5.87900 -1.98200 0.26800 1.000 H25 H 4.90600 -1.27800 -1.86500 1.000 H26 H 3.61400 -1.90600 -0.81500 1.000 H27 H 3.83700 1.19000 -2.88100 1.000 H28 H 3.89900 2.22300 -1.43200 1.000 H29 H 5.28800 1.19000 -1.84900 1.000 H30 H 2.16400 2.37600 -1.07700 1.000 H31 H 0.02400 2.69400 0.09600 1.000 H32 H 2.38900 -1.61800 0.43600 1.000 H33 H 0.24900 -1.29000 1.60500 1.000 H34 H -2.37600 -2.94400 1.14300 1.000 H35 H -3.49200 -3.76400 -0.89000 1.000 H36 H -4.36500 -2.18200 -2.55600 1.000 H37 H -4.13700 0.24200 -2.21000 1.000 H38 H -2.05600 2.81900 1.10600 1.000 H39 H -1.10900 1.31300 2.64200 1.000 H40 H -2.01500 -0.85000 2.59300 1.000