# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JW1' 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 -0.62600 1.49600 0.35900 1.000 C1 C -1.79400 2.18200 0.08700 1.000 C2 C -2.98000 1.49500 -0.08300 1.000 C3 C -3.00100 0.10500 0.02100 1.000 C4 C -1.82400 -0.58700 0.29500 1.000 C5 C -0.63700 0.10900 0.45800 1.000 B6 B -4.34900 -0.67800 -0.17100 1.000 O7 O -5.54800 0.03000 -0.45100 1.000 O8 O -4.36900 -2.09300 -0.06500 1.000 N9 N 0.54800 -0.58200 0.73400 1.000 C10 C 1.71800 -0.14100 0.23100 1.000 O11 O 2.84400 -0.85700 0.41700 1.000 C12 C 4.06700 -0.32100 -0.15200 1.000 C13 C 5.23100 -1.26400 0.16000 1.000 C14 C 3.90900 -0.19100 -1.66800 1.000 C15 C 4.35100 1.05600 0.45100 1.000 O16 O 1.75800 0.90200 -0.39100 1.000 H17 H 0.29900 2.03800 0.49200 1.000 H18 H -1.78000 3.25900 0.00600 1.000 H19 H -3.89100 2.03500 -0.29600 1.000 H20 H -1.83600 -1.66400 0.37700 1.000 H21 H -6.32400 -0.53600 -0.55200 1.000 H22 H -5.24200 -2.48600 -0.19900 1.000 H23 H 0.52800 -1.37900 1.28700 1.000 H24 H 5.34300 -1.35700 1.24000 1.000 H25 H 5.02900 -2.24600 -0.26900 1.000 H26 H 6.14900 -0.86200 -0.26700 1.000 H27 H 4.82800 0.21100 -2.09600 1.000 H28 H 3.70700 -1.17200 -2.09800 1.000 H29 H 3.08000 0.48100 -1.89100 1.000 H30 H 5.26900 1.45800 0.02300 1.000 H31 H 3.52200 1.72800 0.22800 1.000 H32 H 4.46300 0.96300 1.53100 1.000