# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4W' 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 0.47800 0.68900 -0.17000 1.000 C1 C -0.61400 1.59900 0.40100 1.000 C2 C -1.97200 1.16200 -0.15700 1.000 C3 C -2.20600 -0.31200 0.18400 1.000 C4 C -3.53300 -0.77100 -0.42200 1.000 C5 C 2.91100 0.77100 -0.25100 1.000 C6 C 4.24300 1.14200 0.34900 1.000 N7 N 1.77200 1.04900 0.41300 1.000 O8 O -0.35400 2.95200 0.02400 1.000 O9 O -3.00600 1.95800 0.42500 1.000 O10 O -1.13900 -1.09800 -0.35000 1.000 O11 O -3.80800 -2.11100 -0.00700 1.000 C12 C 0.14900 -0.76700 0.17200 1.000 O13 O 2.86500 0.22400 -1.33300 1.000 N14 N 1.15800 -1.64800 -0.42100 1.000 N15 N 1.78000 -2.31300 0.23700 1.000 N16 N 2.40200 -2.97800 0.89600 1.000 H17 H 0.52100 0.80800 -1.25300 1.000 H18 H -0.62400 1.51700 1.48800 1.000 H19 H -1.97800 1.29100 -1.24000 1.000 H20 H -2.23900 -0.43300 1.26700 1.000 H21 H -4.33400 -0.11500 -0.08400 1.000 H22 H -3.46700 -0.73500 -1.51000 1.000 H23 H 4.36500 0.63200 1.30500 1.000 H24 H 5.04300 0.84100 -0.32800 1.000 H25 H 4.28500 2.22000 0.50400 1.000 H26 H 1.80900 1.48700 1.27800 1.000 H27 H -1.01100 3.58400 0.34700 1.000 H28 H -3.89500 1.73500 0.11600 1.000 H29 H -4.63600 -2.46800 -0.35500 1.000 H30 H 0.14600 -0.89400 1.25400 1.000