# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JG3' 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 -0.23000 -0.77300 -0.70600 1.000 N1 N 1.10200 -0.16400 1.25700 1.000 O2 O -0.34700 -2.11400 -0.22500 1.000 C3 C -3.28400 1.69500 0.15500 1.000 N4 N -2.66500 -0.52100 -0.65900 1.000 O5 O -2.65400 1.62000 1.18300 1.000 C6 C -3.00400 -1.74400 0.10100 1.000 C7 C -1.40200 0.06000 -0.18500 1.000 C8 C 5.93700 0.88200 0.35000 1.000 C9 C 4.16600 -0.65100 0.84900 1.000 C10 C 4.13600 0.58700 -1.20000 1.000 C11 C 1.08600 -0.16700 -0.21200 1.000 C12 C -3.77500 0.44000 -0.52000 1.000 C13 C 2.25800 -1.00100 -0.73300 1.000 C14 C -4.85800 -0.23400 0.34700 1.000 C15 C 5.35600 -0.04100 1.20000 1.000 C16 C 5.32600 1.19600 -0.85000 1.000 C17 C 3.55600 -0.33600 -0.35100 1.000 C18 C -4.55100 -1.74600 0.17800 1.000 H19 H -0.24200 -0.77600 -1.79600 1.000 H20 H 1.02000 -1.10100 1.62200 1.000 H21 H -0.34300 -2.18700 0.73900 1.000 H22 H -2.64900 -2.62900 -0.42700 1.000 H23 H -2.57400 -1.70000 1.10200 1.000 H24 H -1.39000 0.06300 0.90500 1.000 H25 H -1.31300 1.08300 -0.55200 1.000 H26 H 6.86400 1.36100 0.62600 1.000 H27 H 3.71300 -1.37300 1.51200 1.000 H28 H 3.65900 0.83300 -2.13800 1.000 H29 H 1.17500 0.85500 -0.57900 1.000 H30 H -4.18000 0.68200 -1.50300 1.000 H31 H 2.21800 -1.99800 -0.29600 1.000 H32 H 2.19500 -1.07700 -1.81900 1.000 H33 H -4.75800 0.06500 1.39100 1.000 H34 H -5.85400 0.00300 -0.02600 1.000 H35 H 5.83300 -0.28800 2.13700 1.000 H36 H 5.78000 1.91800 -1.51300 1.000 H37 H -4.98700 -2.13200 -0.74300 1.000 H38 H -4.89800 -2.31400 1.04200 1.000 H39 H 1.93200 0.29000 1.60800 1.000 O40 O -3.54800 2.89500 -0.38500 1.000 H41 H -3.21300 3.67100 0.08400 1.000