# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3B' 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 -1.32900 -0.58600 0.40500 1.000 C1 C -0.94200 0.55000 -0.29800 1.000 C2 C 1.29300 -0.18400 -0.62900 1.000 N3 N -5.45500 -1.42900 0.94400 1.000 C4 C -5.07000 -0.29800 0.25600 1.000 N5 N -5.97100 0.51300 -0.22100 1.000 C6 C -3.63300 -0.00400 0.06000 1.000 C7 C -2.66600 -0.86400 0.58400 1.000 N8 N 0.41300 0.82600 -0.48400 1.000 O9 O 0.89700 -1.32900 -0.69500 1.000 C10 C 2.76900 0.10800 -0.70900 1.000 C11 C 3.53900 -1.20500 -0.87200 1.000 C12 C 5.03300 -0.91800 -0.67500 1.000 C13 C 5.26900 -0.52800 0.78500 1.000 N14 N 4.34200 0.52100 1.18800 1.000 C15 C 3.20900 0.80600 0.54500 1.000 O16 O 2.49500 1.67600 0.99800 1.000 C17 C -1.90300 1.41100 -0.81700 1.000 C18 C -3.24200 1.14100 -0.63600 1.000 H19 H -0.58100 -1.25300 0.80600 1.000 H20 H -4.78400 -2.03200 1.29900 1.000 H21 H -6.39700 -1.62100 1.07200 1.000 H22 H -5.70100 1.30900 -0.70500 1.000 H23 H -2.96600 -1.74700 1.13000 1.000 H24 H 0.72200 1.74600 -0.50800 1.000 H25 H 2.96500 0.75100 -1.56800 1.000 H26 H 3.20200 -1.92300 -0.12400 1.000 H27 H 3.37100 -1.60800 -1.87000 1.000 H28 H 5.61100 -1.81100 -0.91300 1.000 H29 H 5.33800 -0.10100 -1.32800 1.000 H30 H 5.12200 -1.40200 1.41900 1.000 H31 H 6.29100 -0.16700 0.90000 1.000 H32 H 4.56300 1.04600 1.97400 1.000 H33 H -1.60000 2.29300 -1.36200 1.000 H34 H -3.98800 1.80700 -1.04200 1.000