# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJH' 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 7.60900 2.70900 0.51800 1.000 C1 C 7.00000 1.34300 0.19700 1.000 O2 O 5.57700 1.41900 0.30300 1.000 C3 C 4.87700 0.28200 0.04700 1.000 C4 C 3.49500 0.28600 0.13200 1.000 C5 C 5.54800 -0.88200 -0.30400 1.000 C6 C 4.84000 -2.04000 -0.56500 1.000 C7 C 3.46300 -2.04600 -0.47900 1.000 C8 C 2.78100 -0.88100 -0.13100 1.000 C9 C 1.30000 -0.88400 -0.04200 1.000 C10 C 0.58700 -2.05200 -0.30500 1.000 C11 C -0.78900 -2.05300 -0.22100 1.000 C12 C 0.62000 0.28100 0.31100 1.000 C13 C -0.75600 0.27600 0.39400 1.000 C14 C -1.46500 -0.88900 0.12500 1.000 N15 N -2.86000 -0.89100 0.20900 1.000 C16 C -3.55700 0.21300 -0.12300 1.000 O17 O -2.98100 1.17900 -0.58600 1.000 C18 C -5.01300 0.25000 0.07500 1.000 C19 C -5.69100 -0.88700 0.62100 1.000 N20 N -6.22900 -1.78900 1.05400 1.000 C21 C -5.71900 1.36800 -0.26100 1.000 C22 C -7.21100 1.40600 -0.05800 1.000 O23 O -5.08200 2.43500 -0.77300 1.000 H24 H 7.23200 3.45000 -0.18700 1.000 H25 H 7.33500 3.00000 1.53200 1.000 H26 H 8.69400 2.65100 0.43700 1.000 H27 H 7.27400 1.05200 -0.81700 1.000 H28 H 7.37700 0.60200 0.90200 1.000 H29 H 2.97100 1.19200 0.40100 1.000 H30 H 6.62600 -0.88200 -0.37300 1.000 H31 H 5.36700 -2.94200 -0.83800 1.000 H32 H 2.91300 -2.95300 -0.68400 1.000 H33 H 1.11300 -2.95700 -0.57500 1.000 H34 H -1.34200 -2.95800 -0.42600 1.000 H35 H 1.17100 1.18600 0.52000 1.000 H36 H -1.28300 1.17800 0.66700 1.000 H37 H -3.32700 -1.68800 0.50700 1.000 H38 H -7.43300 1.78800 0.93900 1.000 H39 H -7.66300 2.05800 -0.80500 1.000 H40 H -7.61800 0.40000 -0.16000 1.000 H41 H -5.62500 3.20400 -0.99600 1.000