# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J4W' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -1.43400 -0.56200 0.31900 1.000 C1 C -1.82800 0.47200 -0.18500 1.000 O2 O -3.14900 0.68500 -0.34000 1.000 C3 C -4.04300 -0.36300 0.11700 1.000 C4 C -3.83700 -0.59200 1.61600 1.000 C5 C -5.49200 0.05500 -0.14000 1.000 C6 C -3.74400 -1.65700 -0.64200 1.000 N7 N -0.94300 1.40700 -0.58300 1.000 C8 C 0.42200 1.23200 -0.33000 1.000 C9 C 1.22100 2.33000 -0.03100 1.000 C10 C 2.57000 2.16300 0.22100 1.000 C11 C 3.13300 0.90400 0.17700 1.000 C12 C 0.97900 -0.03800 -0.37100 1.000 C13 C 2.33700 -0.20100 -0.12200 1.000 B14 B 3.27300 -1.46200 -0.08700 1.000 O15 O 2.88600 -2.80700 -0.32400 1.000 O16 O 4.58000 -1.00100 0.22600 1.000 C17 C 4.53900 0.41400 0.39900 1.000 H18 H -4.05100 0.32900 2.15700 1.000 H19 H -4.50900 -1.37900 1.95900 1.000 H20 H -2.80500 -0.89000 1.79900 1.000 H21 H -5.64000 0.21800 -1.20800 1.000 H22 H -6.16400 -0.73200 0.20300 1.000 H23 H -5.70600 0.97700 0.40100 1.000 H24 H -2.71100 -1.95500 -0.45900 1.000 H25 H -4.41500 -2.44400 -0.29900 1.000 H26 H -3.89100 -1.49400 -1.71000 1.000 H27 H -1.25300 2.20200 -1.04600 1.000 H28 H 0.78500 3.31800 0.00500 1.000 H29 H 3.18400 3.02100 0.45200 1.000 H30 H 0.36100 -0.89400 -0.59800 1.000 H31 H 3.61200 -3.44300 -0.25700 1.000 H32 H 5.20700 0.88600 -0.32100 1.000 H33 H 4.85800 0.66900 1.41000 1.000