# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J2W' 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 -2.05600 -0.39900 0.10800 1.000 C1 C 3.89800 -1.24400 -0.46200 1.000 C2 C 3.44500 0.91700 0.51900 1.000 C3 C 2.11100 0.58900 0.61800 1.000 C4 C 5.78200 0.35100 -0.12800 1.000 C5 C -6.69700 0.73600 -0.24900 1.000 O6 O -5.33700 1.17500 -0.26200 1.000 C7 C -4.38000 0.22600 -0.07900 1.000 C8 C -4.74400 -1.09700 0.10800 1.000 C9 C -3.77500 -2.06800 0.30000 1.000 C10 C -2.44000 -1.73000 0.29600 1.000 C11 C -0.62800 -0.03200 0.10300 1.000 O12 O -0.29800 1.12700 -0.06000 1.000 N13 N 0.31200 -0.98200 0.27900 1.000 C14 C 1.66400 -0.65300 0.17900 1.000 C15 C 2.56300 -1.56700 -0.36100 1.000 C16 C 4.34900 0.00200 -0.02200 1.000 N17 N 6.22600 1.58100 0.30600 1.000 N18 N 6.62600 -0.50500 -0.63400 1.000 C19 C -3.03600 0.58400 -0.08000 1.000 O20 O -2.67500 1.88000 -0.26300 1.000 H21 H 4.59600 -1.95600 -0.87700 1.000 H22 H 3.79100 1.88200 0.86000 1.000 H23 H 1.41100 1.29700 1.03700 1.000 H24 H -7.35600 1.59000 -0.40600 1.000 H25 H -6.85100 0.00700 -1.04600 1.000 H26 H -6.92100 0.27500 0.71300 1.000 H27 H -5.78800 -1.37200 0.10800 1.000 H28 H -4.06800 -3.09800 0.44500 1.000 H29 H -1.68900 -2.49300 0.43700 1.000 H30 H 0.04900 -1.89500 0.47600 1.000 H31 H 2.21400 -2.53000 -0.70200 1.000 H32 H 5.59800 2.21800 0.68200 1.000 H33 H 7.16600 1.81000 0.23600 1.000 H34 H 6.31300 -1.37100 -0.94000 1.000 H35 H -2.53600 2.12300 -1.18800 1.000