# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XT' 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 5.66200 0.19200 2.10500 1.000 N1 N -0.03900 1.37200 -1.57400 1.000 C2 C 2.80500 -0.24200 -0.89200 1.000 C3 C 3.03100 -1.27400 0.00000 1.000 C4 C 3.97800 -1.13400 0.99600 1.000 C5 C 4.70400 0.04600 1.10000 1.000 C6 C 1.77000 -0.39900 -1.97700 1.000 C7 C -2.67700 -0.32300 0.09600 1.000 C8 C -3.82300 0.54200 0.41900 1.000 C9 C -5.87900 1.30400 0.78100 1.000 C10 C 5.25900 2.36300 0.31100 1.000 C11 C -1.65500 -2.40000 0.14000 1.000 C12 C -0.47900 -0.68100 -0.84800 1.000 C13 C -5.13400 0.16900 0.41400 1.000 C14 C -4.99900 2.30400 0.99300 1.000 C15 C 4.47400 1.08100 0.20200 1.000 C16 C 3.52100 0.93600 -0.78800 1.000 C17 C -1.54300 0.19700 -0.56900 1.000 N18 N 0.47200 0.06800 -1.48500 1.000 N19 N -1.20700 1.41100 -1.03400 1.000 N20 N -2.68300 -1.61400 0.42600 1.000 N21 N -0.57400 -1.95500 -0.48100 1.000 N22 N -1.71300 -3.73400 0.50500 1.000 O23 O -3.75900 1.84100 0.77500 1.000 H24 H 6.16800 1.01600 2.17700 1.000 H25 H 5.81900 -0.53000 2.73400 1.000 H26 H 2.46600 -2.19100 -0.08100 1.000 H27 H 4.15300 -1.94000 1.69200 1.000 H28 H 2.06300 0.19000 -2.84600 1.000 H29 H 1.69600 -1.44900 -2.25800 1.000 H30 H -6.95300 1.36300 0.87500 1.000 H31 H 6.16500 2.28600 -0.29000 1.000 H32 H 4.65200 3.19300 -0.05100 1.000 H33 H 5.52800 2.53600 1.35300 1.000 H34 H -5.52500 -0.80900 0.17500 1.000 H35 H -5.25100 3.31200 1.28900 1.000 H36 H 3.34300 1.74000 -1.48600 1.000 H37 H -2.49600 -4.07800 0.96200 1.000 H38 H -0.97000 -4.32500 0.30400 1.000