# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0UM' 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 4.35800 0.37200 -0.34300 1.000 C1 C 4.80800 1.66300 -0.02100 1.000 C2 C 6.15000 1.98400 -0.28700 1.000 C3 C 2.71400 1.55300 0.53300 1.000 N4 N 6.92800 1.05300 -0.83000 1.000 N5 N 5.21000 -0.49300 -0.88300 1.000 O6 O -5.61700 4.11500 -0.28600 1.000 C7 C -6.09500 2.87000 -0.13500 1.000 C8 C -5.35100 1.87700 0.72000 1.000 N9 N -6.26200 0.79600 1.11900 1.000 C10 C -4.18300 1.29200 -0.07600 1.000 C11 C -3.35500 0.37800 0.83000 1.000 C12 C -2.18700 -0.20700 0.03300 1.000 N13 N -2.70600 -1.08000 -1.02800 1.000 C14 C -3.49100 -2.18500 -0.46300 1.000 C15 C -4.01500 -3.07000 -1.59600 1.000 C16 C -4.83300 -4.22100 -1.00800 1.000 C17 C -1.28800 -1.01900 0.96800 1.000 C18 C -0.05600 -1.50000 0.20000 1.000 O19 O 0.75900 -0.37500 -0.17100 1.000 C20 C 0.80200 -2.40900 1.10200 1.000 O21 O 0.92500 -3.71200 0.52700 1.000 C22 C 2.18000 -1.70500 1.14800 1.000 O23 O 3.24200 -2.65700 1.06400 1.000 C24 C 2.13300 -0.81400 -0.11900 1.000 N25 N 3.03600 0.33100 0.02100 1.000 N26 N 3.75600 2.33300 0.50800 1.000 C27 C 6.45900 -0.14900 -1.11500 1.000 N28 N 6.65000 3.24000 0.00700 1.000 O29 O -7.12000 2.54500 -0.68500 1.000 H30 H 1.74000 1.83200 0.90500 1.000 H31 H -6.12900 4.71700 -0.84400 1.000 H32 H -4.96900 2.37800 1.61000 1.000 H33 H -7.00700 1.14700 1.70100 1.000 H34 H -6.62900 0.31600 0.31200 1.000 H35 H -4.56900 0.71600 -0.91700 1.000 H36 H -3.55500 2.10100 -0.44800 1.000 H37 H -2.96800 0.95400 1.67100 1.000 H38 H -3.98300 -0.43100 1.20100 1.000 H39 H -1.60900 0.60300 -0.41300 1.000 H40 H -1.95800 -1.42800 -1.60900 1.000 H41 H -2.86100 -2.77800 0.19900 1.000 H42 H -4.33300 -1.78200 0.10100 1.000 H43 H -4.64500 -2.47700 -2.25900 1.000 H44 H -3.17300 -3.47300 -2.16000 1.000 H45 H -4.20200 -4.81400 -0.34500 1.000 H46 H -5.67400 -3.81800 -0.44400 1.000 H47 H -5.20500 -4.85200 -1.81500 1.000 H48 H -0.97400 -0.39500 1.80400 1.000 H49 H -1.84000 -1.88000 1.34500 1.000 H50 H -0.36400 -2.04500 -0.69200 1.000 H51 H 0.37100 -2.47100 2.10100 1.000 H52 H 1.45600 -4.32500 1.05400 1.000 H53 H 2.27600 -1.09700 2.04800 1.000 H54 H 3.25800 -3.29500 1.79000 1.000 H55 H 2.38500 -1.39600 -1.00600 1.000 H56 H 7.12500 -0.87600 -1.55600 1.000 H57 H 6.07300 3.91100 0.40300 1.000 H58 H 7.57900 3.44900 -0.18100 1.000