# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9D8' 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 2.00400 1.36300 -0.28200 1.000 C1 C 2.47300 1.44300 1.17200 1.000 O2 O -3.20600 -2.22300 1.90800 1.000 C3 C 4.13700 0.81700 -1.54500 1.000 C4 C 5.20500 0.57500 -0.51000 1.000 C5 C 6.84700 -0.86000 0.47900 1.000 C6 C 7.16600 0.13100 1.38900 1.000 C7 C 6.49500 1.33900 1.35700 1.000 C8 C 5.51900 1.56300 0.40400 1.000 C9 C 1.04100 -1.24500 -0.77400 1.000 C10 C 0.46300 -0.66200 0.35500 1.000 C11 C -0.81200 -1.02300 0.73800 1.000 C12 C -1.51800 -1.96000 0.00500 1.000 C13 C -4.11100 0.03000 0.20000 1.000 C14 C -4.12300 1.01900 -0.77500 1.000 C15 C -4.05300 2.35000 -0.40800 1.000 C16 C -3.97100 2.69700 0.92900 1.000 C17 C -3.95900 1.71400 1.90200 1.000 C18 C -4.03000 0.38300 1.54200 1.000 C19 C -0.95100 -2.54200 -1.11500 1.000 C20 C 0.32100 -2.18500 -1.51200 1.000 S21 S -3.14600 -2.41600 0.50100 1.000 O22 O -3.42300 -3.66100 -0.12500 1.000 N23 N -4.18800 -1.31500 -0.16700 1.000 Cl24 Cl -4.06700 3.58700 -1.62500 1.000 C25 C 2.40700 -0.86200 -1.19000 1.000 O26 O 3.14300 -1.68900 -1.69400 1.000 N27 N 2.83700 0.40300 -1.01100 1.000 C28 C 1.50800 2.32300 1.97000 1.000 C29 C 5.86700 -0.63800 -0.47000 1.000 H30 H 0.96500 1.03800 -0.31200 1.000 H31 H 2.09200 2.34500 -0.74700 1.000 H32 H 2.49300 0.44200 1.60300 1.000 H33 H 3.47300 1.87500 1.20800 1.000 H34 H 4.10600 1.87800 -1.79400 1.000 H35 H 4.36200 0.24000 -2.44100 1.000 H36 H 7.36500 -1.80800 0.51000 1.000 H37 H 7.93100 -0.04300 2.13000 1.000 H38 H 6.74300 2.11300 2.06800 1.000 H39 H 5.00200 2.51100 0.37400 1.000 H40 H 1.01400 0.07000 0.92800 1.000 H41 H -1.26000 -0.57300 1.61100 1.000 H42 H -4.18600 0.74800 -1.81800 1.000 H43 H -3.91500 3.73700 1.21400 1.000 H44 H -3.89400 1.98800 2.94500 1.000 H45 H -4.02000 -0.38400 2.30200 1.000 H46 H -1.50800 -3.27400 -1.68200 1.000 H47 H 0.76100 -2.63700 -2.38900 1.000 H48 H -4.85200 -1.60500 -0.81200 1.000 H49 H 0.50800 1.89100 1.93400 1.000 H50 H 1.84100 2.38000 3.00600 1.000 H51 H 1.48700 3.32400 1.53900 1.000 H52 H 5.61900 -1.41200 -1.18100 1.000