# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.31200 -0.03100 0.07200 1.000 O1 O 1.89700 0.20600 2.19400 1.000 C2 C 2.24300 0.03100 1.04100 1.000 N3 N 3.55100 -0.09800 0.75300 1.000 C4 C 3.95100 -0.29300 -0.51900 1.000 O5 O 5.13500 -0.41100 -0.78100 1.000 C6 C 2.98200 -0.36100 -1.54900 1.000 C7 C 1.67600 -0.22800 -1.23300 1.000 C8 C -0.10500 0.10700 0.41600 1.000 O9 O -0.82800 -1.02300 -0.07700 1.000 C10 C -2.22400 -1.00200 0.22900 1.000 C11 C -2.88600 -2.26700 -0.32000 1.000 O12 O -2.36700 -3.41100 0.36200 1.000 C13 C -2.86700 0.23100 -0.41300 1.000 O14 O -4.25000 0.28600 -0.06100 1.000 C15 C -2.15800 1.49000 0.09700 1.000 O16 O -2.70300 2.64000 -0.55300 1.000 C17 C -0.66300 1.38400 -0.21800 1.000 O18 O 0.01900 2.52000 0.31700 1.000 H19 H 4.20900 -0.05100 1.46500 1.000 H20 H 3.28300 -0.51600 -2.57500 1.000 H21 H 0.92300 -0.27700 -2.00500 1.000 H22 H -0.21200 0.16200 1.50000 1.000 H23 H -2.35900 -0.96100 1.31000 1.000 H24 H -3.96300 -2.21000 -0.16600 1.000 H25 H -2.67600 -2.35300 -1.38600 1.000 H26 H -2.74300 -4.25000 0.06400 1.000 H27 H -2.76900 0.17000 -1.49700 1.000 H28 H -4.72100 1.04300 -0.43400 1.000 H29 H -2.30000 1.57800 1.17400 1.000 H30 H -3.65000 2.76600 -0.40200 1.000 H31 H -0.52000 1.34700 -1.29800 1.000 H32 H -0.28400 3.36500 -0.04200 1.000