# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '09H' 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 6.14700 0.81200 0.86200 1.000 C1 C 5.45500 1.99900 1.01900 1.000 C2 C 4.09100 2.04300 0.79800 1.000 C3 C 3.41300 0.89500 0.41800 1.000 C4 C 4.11000 -0.30200 0.26000 1.000 C5 C 5.47800 -0.33800 0.48400 1.000 N6 N 3.43200 -1.46400 -0.12300 1.000 C7 C 3.57300 -2.51600 0.89400 1.000 C8 C 2.75300 -3.73900 0.47700 1.000 N9 N 3.21800 -4.21300 -0.83400 1.000 C10 C 3.07700 -3.16100 -1.85100 1.000 C11 C 3.89700 -1.93800 -1.43400 1.000 N12 N 2.03000 0.93800 0.19400 1.000 C13 C 1.43900 2.10000 -0.14700 1.000 O14 O 2.11500 3.08800 -0.35900 1.000 C15 C -0.02800 2.17300 -0.26300 1.000 N16 N -0.81200 1.12600 -0.04300 1.000 C17 C -2.08600 1.33500 -0.18100 1.000 S18 S -2.35600 3.01400 -0.63600 1.000 C19 C -0.67300 3.31300 -0.59700 1.000 C20 C -3.14500 0.32100 0.01200 1.000 C21 C -2.81100 -0.98400 0.37900 1.000 C22 C -3.79700 -1.92700 0.55500 1.000 C23 C -5.13700 -1.59100 0.36900 1.000 C24 C -5.46400 -0.28700 0.01200 1.000 C25 C -4.48700 0.66300 -0.16500 1.000 O26 O -6.25200 -2.36600 0.47300 1.000 C27 C -7.40400 -1.52100 0.63000 1.000 C28 C -6.97600 -0.22200 -0.09300 1.000 H29 H 7.21300 0.78400 1.03200 1.000 H30 H 5.98200 2.89400 1.31500 1.000 H31 H 3.55400 2.97200 0.92200 1.000 H32 H 6.02300 -1.26200 0.35800 1.000 H33 H 4.62200 -2.79500 0.98500 1.000 H34 H 3.21100 -2.14500 1.85300 1.000 H35 H 2.87900 -4.53100 1.21500 1.000 H36 H 1.70000 -3.46600 0.41200 1.000 H37 H 4.17100 -4.54100 -0.78300 1.000 H38 H 3.44000 -3.53200 -2.81000 1.000 H39 H 2.02800 -2.88200 -1.94200 1.000 H40 H 3.77100 -1.14700 -2.17200 1.000 H41 H 4.95000 -2.21100 -1.36900 1.000 H42 H 1.49900 0.13100 0.28500 1.000 H43 H -0.20000 4.26000 -0.81000 1.000 H44 H -1.77500 -1.25300 0.52500 1.000 H45 H -3.53100 -2.93500 0.83900 1.000 H46 H -4.75700 1.67100 -0.44500 1.000 H47 H -8.27500 -1.96300 0.14700 1.000 H48 H -7.60100 -1.32900 1.68400 1.000 H49 H -7.36400 0.65700 0.42300 1.000 H50 H -7.29600 -0.23200 -1.13500 1.000