# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JS' 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 4.19700 0.51300 0.45400 1.000 C1 C -5.71000 0.31400 0.05400 1.000 C2 C 5.42400 1.14500 0.33400 1.000 C3 C 6.52100 0.44500 -0.14800 1.000 C4 C -3.22800 -0.90600 0.21800 1.000 C5 C 7.85500 1.13300 -0.27800 1.000 C6 C 1.65700 -0.75900 -0.00600 1.000 C7 C -0.82700 -0.78600 0.03600 1.000 C8 C 0.42500 -1.39500 0.22700 1.000 C9 C -4.33100 -1.63200 -0.22300 1.000 C10 C -5.56500 -1.02900 -0.30600 1.000 N11 N 2.83500 -1.46500 0.21900 1.000 N12 N 1.72900 0.48400 -0.43600 1.000 C13 C 4.06900 -0.82300 0.09500 1.000 N14 N -0.94100 0.45200 -0.39600 1.000 C15 C 6.39100 -0.88300 -0.50900 1.000 C16 C 5.17100 -1.51900 -0.38700 1.000 O17 O 5.55300 2.45100 0.68900 1.000 S18 S 0.38100 1.24700 -0.68400 1.000 O19 O 0.44500 -2.55300 0.62100 1.000 N20 N -1.98100 -1.51900 0.30000 1.000 C21 C -4.60000 1.04200 0.49100 1.000 C22 C -3.36800 0.43300 0.57200 1.000 C23 C -7.03200 0.96400 -0.03400 1.000 O24 O -7.15600 2.13300 0.27400 1.000 N25 N -8.10200 0.26100 -0.45600 1.000 H26 H 3.34200 1.05600 0.82900 1.000 H27 H 7.93800 1.58300 -1.26700 1.000 H28 H 7.93900 1.91000 0.48200 1.000 H29 H 8.65500 0.40500 -0.14200 1.000 H30 H -4.21800 -2.67000 -0.50100 1.000 H31 H -6.42000 -1.59300 -0.64800 1.000 H32 H 2.79900 -2.40400 0.46100 1.000 H33 H 7.24700 -1.42500 -0.88400 1.000 H34 H 5.07300 -2.55600 -0.67000 1.000 H35 H 5.79700 2.58500 1.61500 1.000 H36 H -1.91600 -2.45600 0.54200 1.000 H37 H -4.70800 2.08100 0.76500 1.000 H38 H -2.51100 0.99400 0.91300 1.000 H39 H -8.00300 -0.67200 -0.70200 1.000 H40 H -8.97100 0.68800 -0.51400 1.000