# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J0E' 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 -0.46400 0.49000 0.44500 1.000 N1 N -3.88200 -0.94800 0.06700 1.000 C2 C -1.88700 0.29100 0.73200 1.000 N3 N -0.31300 2.94400 0.08200 1.000 C4 C -3.53700 -0.50300 2.44100 1.000 C5 C -4.15600 -1.45900 1.41700 1.000 C6 C -6.30500 -1.06400 -0.41400 1.000 C7 C 1.67500 -0.00800 0.12700 1.000 C8 C 2.95200 -0.75100 0.00200 1.000 C9 C 4.11100 -0.25300 0.59400 1.000 C10 C 5.29700 -0.94700 0.47500 1.000 C11 C 5.33700 -2.14000 -0.23400 1.000 C12 C 4.18400 -2.63900 -0.82500 1.000 C13 C 2.99400 -1.95300 -0.70500 1.000 C14 C 0.51600 3.92500 -0.20300 1.000 N15 N 3.68600 2.31600 -0.56600 1.000 C16 C 2.33600 2.51300 -0.34700 1.000 O17 O -4.64500 -0.33200 -1.92300 1.000 C18 C 1.49200 1.43300 -0.04100 1.000 C19 C -2.49100 -0.65700 -0.30900 1.000 C20 C 0.12400 1.68900 0.17400 1.000 C21 C -2.04700 -0.31900 2.12600 1.000 C22 C -4.88500 -0.75500 -0.81200 1.000 C23 C -7.24100 -0.75900 -1.58500 1.000 N24 N 0.50200 -0.52100 0.41400 1.000 N25 N 1.80600 3.73000 -0.41200 1.000 O26 O 6.50800 -2.81800 -0.35400 1.000 H27 H -2.40700 1.24900 0.69200 1.000 H28 H -4.04100 0.46200 2.38900 1.000 H29 H -3.65100 -0.92000 3.44200 1.000 H30 H -5.23400 -1.51500 1.57400 1.000 H31 H -3.71700 -2.45000 1.52900 1.000 H32 H -6.38700 -2.11800 -0.14800 1.000 H33 H -6.58400 -0.45000 0.44300 1.000 H34 H 4.08100 0.67500 1.14500 1.000 H35 H 6.19600 -0.56200 0.93300 1.000 H36 H 4.21800 -3.56700 -1.37600 1.000 H37 H 2.09700 -2.34100 -1.16500 1.000 H38 H 0.12600 4.93000 -0.26900 1.000 H39 H 4.29600 3.07000 -0.54200 1.000 H40 H 4.02400 1.42400 -0.74400 1.000 H41 H -1.91800 -1.58400 -0.33400 1.000 H42 H -2.46900 -0.18400 -1.29100 1.000 H43 H -1.55100 -1.28900 2.15700 1.000 H44 H -1.59600 0.34200 2.86600 1.000 H45 H -7.15900 0.29500 -1.85100 1.000 H46 H -6.96200 -1.37200 -2.44200 1.000 H47 H -8.26800 -0.98200 -1.29700 1.000 H48 H 7.03100 -2.56500 -1.12700 1.000