# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JT5' 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 -1.99600 2.24800 0.26400 1.000 C1 C -3.07700 1.31100 -0.21100 1.000 C2 C -3.11400 -0.53800 1.52600 1.000 N3 N -2.08700 3.56700 0.00700 1.000 O4 O -1.07200 4.44800 0.45400 1.000 O5 O -1.04700 1.81500 0.88300 1.000 N6 N -2.74700 -0.05900 0.19100 1.000 S7 S -1.96100 -1.06500 -0.86300 1.000 C8 C -4.55600 -1.04800 1.50700 1.000 O9 O -4.64600 -2.19200 0.65600 1.000 O10 O -2.23100 -0.57000 -2.16700 1.000 C11 C -0.23200 -0.85000 -0.59700 1.000 O12 O -2.26700 -2.39100 -0.45600 1.000 C13 C 0.42700 -1.64000 0.32800 1.000 C14 C 1.78100 -1.47600 0.54000 1.000 C15 C 2.48400 -0.51200 -0.18000 1.000 C16 C 1.81600 0.28100 -1.11000 1.000 C17 C 0.46300 0.10400 -1.31800 1.000 C18 C 3.93900 -0.32700 0.04800 1.000 C19 C 4.60700 -1.12000 0.97900 1.000 C20 C 5.96000 -0.94400 1.18700 1.000 C21 C 6.65200 0.01800 0.47400 1.000 C22 C 5.99400 0.80900 -0.45100 1.000 C23 C 4.64200 0.63600 -0.67200 1.000 H24 H -2.84800 3.91400 -0.48400 1.000 H25 H -4.02900 1.60000 0.23200 1.000 H26 H -3.15100 1.36300 -1.29700 1.000 H27 H -2.44600 -1.35000 1.81700 1.000 H28 H -3.02600 0.27800 2.24300 1.000 H29 H -4.85800 -1.32100 2.51800 1.000 H30 H -5.21300 -0.26300 1.13200 1.000 H31 H -5.53500 -2.56900 0.59600 1.000 H32 H -0.12000 -2.38600 0.88500 1.000 H33 H 2.29400 -2.09300 1.26300 1.000 H34 H 2.35600 1.02900 -1.67100 1.000 H35 H -0.05600 0.71800 -2.03900 1.000 H36 H 4.06700 -1.87200 1.53600 1.000 H37 H 6.47900 -1.55800 1.90800 1.000 H38 H 7.71100 0.15300 0.64000 1.000 H39 H 6.53900 1.55900 -1.00400 1.000 H40 H 4.12900 1.25400 -1.39400 1.000 H41 H -1.22500 5.37400 0.22200 1.000