# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JN' 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 7.07500 -1.62800 0.64800 1.000 C1 C 7.08500 -0.32900 1.12000 1.000 C2 C 6.01400 -2.08000 -0.11300 1.000 C3 C -6.15100 -1.13600 -1.69600 1.000 C4 C -4.86400 -0.98300 -1.21300 1.000 C5 C 6.03300 0.51900 0.82900 1.000 C6 C 4.96200 -1.23100 -0.40400 1.000 C7 C -1.06800 0.72400 0.44700 1.000 C8 C -7.20300 -0.52800 -1.02900 1.000 C9 C -3.97000 0.94100 1.75000 1.000 C10 C -1.70500 -1.48400 0.25200 1.000 C11 C -4.68100 -0.21400 -0.06400 1.000 C12 C -2.09600 -0.20200 0.47700 1.000 C13 C -3.50900 0.17400 0.73500 1.000 C14 C 4.97100 0.06800 0.06700 1.000 C15 C 0.15200 0.17000 0.19000 1.000 C16 C -5.79600 0.37400 0.56200 1.000 C17 C 1.41400 0.91000 0.10100 1.000 C18 C 3.99100 1.54700 -1.66600 1.000 C19 C 3.82400 0.99300 -0.24900 1.000 N20 N -7.00900 0.18900 0.05700 1.000 N21 N -5.33000 1.06500 1.65500 1.000 N22 N 2.56200 0.25400 -0.16000 1.000 N23 N 2.81400 2.35300 -2.01800 1.000 O24 O 1.42600 2.11600 0.26100 1.000 S25 S -0.02300 -1.56600 -0.01700 1.000 H26 H 7.89900 -2.29000 0.87200 1.000 H27 H 7.91400 0.02300 1.71500 1.000 H28 H 6.00600 -3.09500 -0.48200 1.000 H29 H -6.33400 -1.72000 -2.58500 1.000 H30 H -4.02500 -1.44600 -1.71200 1.000 H31 H 6.04000 1.53500 1.19800 1.000 H32 H 4.13300 -1.58400 -1.00000 1.000 H33 H -1.21700 1.78200 0.60800 1.000 H34 H -8.20700 -0.64500 -1.41100 1.000 H35 H -3.35700 1.38600 2.52000 1.000 H36 H -2.37100 -2.33500 0.23800 1.000 H37 H 4.88400 2.17100 -1.70900 1.000 H38 H 4.09000 0.72100 -2.37000 1.000 H39 H 3.81400 1.81700 0.46400 1.000 H40 H -5.88600 1.56900 2.27100 1.000 H41 H 2.55300 -0.70700 -0.28800 1.000 H42 H 2.66300 3.08700 -1.34300 1.000 H43 H 2.90100 2.73000 -2.95000 1.000