# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96X' 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 1.37800 -2.01300 0.60500 1.000 C1 C 1.01900 -3.26600 0.20900 1.000 C2 C -0.26900 -3.52900 -0.24900 1.000 C3 C -1.20900 -2.54000 -0.31400 1.000 C4 C -0.87300 -1.23100 0.08900 1.000 C5 C 0.43700 -0.97100 0.55900 1.000 C6 C 0.77500 0.33600 0.96200 1.000 C7 C -0.18300 1.30400 0.88100 1.000 C8 C -1.46100 0.98200 0.40600 1.000 N9 N -1.77100 -0.24300 0.03700 1.000 O10 O -2.46100 -2.81600 -0.76400 1.000 N11 N -2.42800 1.98100 0.33000 1.000 C12 C 2.15700 0.65700 1.46900 1.000 N13 N 3.04100 0.93700 0.33500 1.000 C14 C 3.26000 2.14300 -0.23100 1.000 N15 N 4.10700 1.99700 -1.21400 1.000 C16 C 4.45400 0.70500 -1.30900 1.000 C17 C 3.80300 0.02600 -0.34600 1.000 C18 C -3.63000 1.71400 -0.22000 1.000 O19 O -3.90200 0.58300 -0.56300 1.000 C20 C -4.63500 2.82100 -0.40800 1.000 H21 H 2.38100 -1.82300 0.95900 1.000 H22 H 1.74300 -4.06500 0.25000 1.000 H23 H -0.52900 -4.53100 -0.55900 1.000 H24 H 0.04600 2.31700 1.17700 1.000 H25 H -3.07800 -3.08400 -0.07000 1.000 H26 H -2.23700 2.86800 0.67200 1.000 H27 H 2.11200 1.53100 2.11900 1.000 H28 H 2.54400 -0.19300 2.03000 1.000 H29 H 2.81000 3.07500 0.07800 1.000 H30 H 5.14100 0.28400 -2.02800 1.000 H31 H 3.86400 -1.03500 -0.15200 1.000 H32 H -4.21300 3.58900 -1.05700 1.000 H33 H -5.53900 2.41800 -0.86300 1.000 H34 H -4.87900 3.25900 0.56100 1.000