# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JST' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S -1.11500 -0.00400 2.09500 1.000 Cl1 Cl 4.61900 -3.46000 -2.81800 1.000 N2 N 1.75900 -0.94400 2.69800 1.000 N3 N 1.03400 -0.34300 3.67100 1.000 N4 N -0.92100 0.57800 4.63400 1.000 C5 C 2.40700 -0.78500 -0.83100 1.000 C6 C 3.15000 -1.41900 -1.82600 1.000 C7 C 3.70200 -2.67800 -1.59000 1.000 C8 C 3.51000 -3.30300 -0.35800 1.000 C9 C 2.76700 -2.66900 0.63800 1.000 C10 C 2.21900 -1.41300 0.39600 1.000 C11 C 1.42500 -0.73500 1.46000 1.000 C12 C 0.31900 0.20200 1.02500 1.000 C13 C -0.26500 0.10000 3.62500 1.000 C14 C -2.29800 0.97500 4.33100 1.000 C15 C -2.96700 1.52100 5.58800 1.000 C16 C -3.02700 0.50100 6.68900 1.000 C17 C -2.45600 0.66100 7.88800 1.000 H18 H 1.48700 -0.33000 4.58200 1.000 H19 H 1.98200 0.19600 -1.02600 1.000 H20 H 3.29000 -0.92000 -2.78200 1.000 H21 H 3.93500 -4.28400 -0.15800 1.000 H22 H 2.62400 -3.16500 1.59500 1.000 H23 H 0.68700 1.23100 1.09000 1.000 H24 H 0.03200 0.00100 -0.01100 1.000 H25 H -2.27600 1.75000 3.55800 1.000 H26 H -2.84600 0.11600 3.92900 1.000 H27 H -3.99400 1.81700 5.34400 1.000 H28 H -2.44600 2.42600 5.92300 1.000 H29 H -3.57900 -0.41400 6.49300 1.000 H30 H -2.54000 -0.11200 8.64400 1.000 H31 H -1.89700 1.55700 8.13600 1.000