# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9K3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 2.87600 -2.02500 -0.23000 1.000 C1 C 4.57300 0.89100 1.08700 1.000 O2 O -1.85600 2.15300 -1.64100 1.000 C3 C 4.38100 -0.36700 0.60000 1.000 C4 C -2.93000 -0.56900 -0.55900 1.000 C5 C -5.06000 -0.81800 0.56500 1.000 C6 C -5.72600 -1.25700 1.87000 1.000 C7 C -0.93800 1.54700 0.51100 1.000 C8 C -0.86200 2.50800 -0.67800 1.000 C9 C 0.52400 2.41900 -1.31800 1.000 C10 C -1.11000 3.93800 -0.19300 1.000 C11 C 3.09000 -0.79200 0.25300 1.000 C12 C 2.00600 0.10400 0.41900 1.000 C13 C 2.23700 1.38800 0.92300 1.000 C14 C 3.50600 1.76800 1.25000 1.000 C15 C 0.67000 -0.35000 0.05500 1.000 C16 C 1.68400 -2.46000 -0.56700 1.000 C17 C 0.53300 -1.65000 -0.44100 1.000 C18 C -1.44200 -0.74900 -0.40400 1.000 N19 N 1.55100 -3.74800 -1.05900 1.000 N20 N -0.78400 -1.83300 -0.70300 1.000 N21 N -0.58400 0.19600 0.06900 1.000 N22 N -3.60500 -0.98100 0.67900 1.000 H23 H 5.57000 1.21200 1.35200 1.000 H24 H -1.86600 2.72100 -2.42400 1.000 H25 H 5.22100 -1.03500 0.47900 1.000 H26 H -3.14900 0.48000 -0.76100 1.000 H27 H -3.28600 -1.18100 -1.38800 1.000 H28 H -5.43100 -1.43200 -0.25600 1.000 H29 H -5.29400 0.22800 0.37100 1.000 H30 H -6.80600 -1.13600 1.78500 1.000 H31 H -5.49200 -2.30300 2.06400 1.000 H32 H -5.35600 -0.64300 2.69100 1.000 H33 H -0.24200 1.87000 1.28400 1.000 H34 H -1.95100 1.54400 0.91200 1.000 H35 H 0.57800 3.10400 -2.16400 1.000 H36 H 1.28200 2.69000 -0.58300 1.000 H37 H 0.70100 1.40100 -1.66300 1.000 H38 H -2.09800 4.00100 0.26300 1.000 H39 H -0.35200 4.20900 0.54200 1.000 H40 H -1.05600 4.62300 -1.03900 1.000 H41 H 1.41400 2.07600 1.05200 1.000 H42 H 3.68400 2.76000 1.63800 1.000 H43 H 2.33200 -4.31500 -1.15100 1.000 H44 H 0.67600 -4.08200 -1.31100 1.000 H45 H -3.24500 -0.47300 1.47300 1.000