# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '946' 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 5.40500 -1.11500 0.05300 1.000 O1 O 6.04200 -2.31600 -0.01000 1.000 C2 C 6.09600 0.05700 -0.23900 1.000 O3 O 7.40900 0.00500 -0.58900 1.000 C4 C 5.44300 1.27700 -0.17400 1.000 O5 O 1.72500 1.41100 1.62000 1.000 C6 C 4.10800 1.32800 0.18200 1.000 C7 C 3.42100 0.16400 0.47200 1.000 C8 C 1.96600 0.22600 0.85900 1.000 C9 C 1.10300 0.24600 -0.40400 1.000 C10 C -1.17600 0.32700 -1.21800 1.000 C11 C -2.62000 0.38900 -0.79200 1.000 C12 C -4.65800 -0.71300 -0.19900 1.000 C13 C -5.40400 -1.88500 0.01400 1.000 C14 C -6.70600 -1.79400 0.39800 1.000 C15 C -7.31500 -0.55500 0.58300 1.000 C16 C -6.62400 0.60200 0.38600 1.000 C17 C -5.27700 0.54800 -0.01000 1.000 C18 C -4.53300 1.72000 -0.22800 1.000 C19 C -3.23000 1.62900 -0.61100 1.000 C20 C 4.06600 -1.05800 0.40400 1.000 C21 C -3.31100 -0.76700 -0.59600 1.000 N22 N -0.31500 0.30600 -0.02700 1.000 H23 H 6.45500 -2.58600 0.82100 1.000 H24 H 7.56000 -0.08700 -1.54000 1.000 H25 H 5.97700 2.18800 -0.40000 1.000 H26 H 1.93000 2.23000 1.14800 1.000 H27 H 3.60100 2.28000 0.23600 1.000 H28 H 1.71200 -0.64900 1.45800 1.000 H29 H 1.35700 1.12000 -1.00400 1.000 H30 H 1.28700 -0.65800 -0.98500 1.000 H31 H -1.00800 -0.57600 -1.80400 1.000 H32 H -0.93800 1.20200 -1.82300 1.000 H33 H -4.94500 -2.85300 -0.12700 1.000 H34 H -7.27700 -2.69700 0.56100 1.000 H35 H -8.35000 -0.51100 0.88700 1.000 H36 H -7.10900 1.55500 0.53200 1.000 H37 H -4.99200 2.68800 -0.09200 1.000 H38 H -2.66100 2.53100 -0.77800 1.000 H39 H 3.52800 -1.96600 0.63100 1.000 H40 H -2.82600 -1.72100 -0.74400 1.000 H41 H -0.49800 1.10200 0.56600 1.000