# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IWH' 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 -5.05600 1.12300 -1.48400 1.000 N1 N 0.64200 -0.83900 0.72500 1.000 O2 O 0.00700 -2.87200 0.09900 1.000 C3 C -3.87500 0.64300 -0.68000 1.000 N4 N 4.67400 1.09800 -1.04400 1.000 O5 O 3.41200 2.20300 0.41200 1.000 C6 C -3.74600 -0.69900 -0.37500 1.000 C7 C -2.66200 -1.13800 0.36300 1.000 C8 C -1.70800 -0.23600 0.79400 1.000 C9 C -1.83700 1.10500 0.48700 1.000 C10 C -2.91800 1.54400 -0.25400 1.000 C11 C -0.79600 2.08900 0.95800 1.000 C12 C -0.52800 -0.71600 1.59900 1.000 C13 C 1.52300 0.17600 0.65000 1.000 C14 C 2.63100 0.08100 -0.16600 1.000 C15 C 2.83700 -1.09400 -0.92800 1.000 C16 C 1.93400 -2.10600 -0.83700 1.000 C17 C 0.82100 -1.96700 0.01300 1.000 C18 C 3.59300 1.19600 -0.24500 1.000 H19 H -4.81200 1.08700 -2.54600 1.000 H20 H -5.91500 0.48000 -1.28700 1.000 H21 H -5.29700 2.14700 -1.20100 1.000 H22 H 5.30700 1.83100 -1.09500 1.000 H23 H 4.81900 0.29400 -1.56700 1.000 H24 H -4.49200 -1.40300 -0.71200 1.000 H25 H -2.56200 -2.18700 0.60200 1.000 H26 H -3.01600 2.59200 -0.49700 1.000 H27 H -0.00300 2.16200 0.21400 1.000 H28 H -1.25700 3.06700 1.09600 1.000 H29 H -0.37700 1.74900 1.90500 1.000 H30 H -0.75700 -1.68700 2.03700 1.000 H31 H -0.31400 0.00000 2.39200 1.000 H32 H 1.36100 1.07000 1.23300 1.000 H33 H 3.69900 -1.18600 -1.57300 1.000 H34 H 2.07100 -3.01200 -1.40900 1.000