# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9D3' 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 -5.47700 2.97800 -0.89600 1.000 C1 C -5.56600 1.48200 -1.20000 1.000 N2 N -5.91500 0.75200 0.02600 1.000 C3 C -7.26900 1.09700 0.47700 1.000 C4 C -7.45000 0.66000 1.93200 1.000 C5 C -5.77700 -0.69800 -0.16700 1.000 C6 C -4.31700 -1.07000 -0.15400 1.000 C7 C -3.62500 -1.19300 -1.34400 1.000 C8 C -2.28500 -1.53500 -1.33200 1.000 C9 C -3.66900 -1.28400 1.04900 1.000 C10 C -2.33000 -1.62500 1.06100 1.000 C11 C -1.63900 -1.75400 -0.13000 1.000 C12 C -0.17900 -2.12800 -0.11700 1.000 N13 N 0.63600 -0.91200 -0.05300 1.000 C14 C 1.98100 -1.00200 -0.03100 1.000 O15 O 2.51800 -2.09300 -0.06400 1.000 C16 C 2.79800 0.21800 0.03400 1.000 C17 C 4.25700 0.19900 0.05500 1.000 C18 C 5.17000 -0.89600 0.02700 1.000 O19 O 4.76300 -2.04400 -0.02300 1.000 N20 N 6.49300 -0.63600 0.05600 1.000 C21 C 6.93700 0.64500 0.11200 1.000 N22 N 6.11800 1.65500 0.13800 1.000 C23 C 4.77900 1.48400 0.11100 1.000 S24 S 3.46900 2.65500 0.13600 1.000 C25 C 2.27200 1.44900 0.07200 1.000 H26 H -5.21900 3.52000 -1.80600 1.000 H27 H -6.44000 3.33100 -0.52500 1.000 H28 H -4.71100 3.15100 -0.14000 1.000 H29 H -6.33200 1.30900 -1.95600 1.000 H30 H -4.60300 1.12900 -1.57100 1.000 H31 H -7.41400 2.17500 0.40100 1.000 H32 H -8.00200 0.58800 -0.15000 1.000 H33 H -8.46100 0.90000 2.26000 1.000 H34 H -7.28800 -0.41500 2.01000 1.000 H35 H -6.73000 1.18300 2.56000 1.000 H36 H -6.29300 -1.22200 0.63800 1.000 H37 H -6.21600 -0.98000 -1.12400 1.000 H38 H -4.13000 -1.02200 -2.28300 1.000 H39 H -1.74400 -1.63200 -2.26100 1.000 H40 H -4.20900 -1.18300 1.97900 1.000 H41 H -1.82300 -1.79100 2.00000 1.000 H42 H 0.02900 -2.75100 0.75300 1.000 H43 H 0.06300 -2.68000 -1.02500 1.000 H44 H 0.20800 -0.04200 -0.02600 1.000 H45 H 8.00000 0.83100 0.13500 1.000 H46 H 1.21100 1.65200 0.06000 1.000 H47 H 7.12900 -1.36700 0.03900 1.000