# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9QN' 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 -3.14800 1.34500 -0.67200 1.000 C1 C -4.34300 1.78700 -0.13200 1.000 Cl2 Cl -4.75000 3.47400 -0.19100 1.000 C3 C -5.21400 0.88600 0.45300 1.000 C4 C -4.88900 -0.45800 0.49900 1.000 Cl5 Cl -5.98100 -1.59100 1.23300 1.000 C6 C -3.69400 -0.90000 -0.04100 1.000 C7 C -2.82500 0.00200 -0.62600 1.000 S8 S -1.30600 -0.56200 -1.31900 1.000 O9 O -1.49100 -1.93800 -1.62400 1.000 O10 O -0.92400 0.40400 -2.28800 1.000 N11 N -0.16500 -0.49800 -0.11900 1.000 C12 C 0.62700 0.71000 0.08600 1.000 C13 C 1.95600 0.52600 -0.61500 1.000 O14 O 2.24000 1.24700 -1.55600 1.000 C15 C 0.90700 0.94200 1.56600 1.000 C16 C 0.02500 0.17300 2.51400 1.000 C17 C -0.24300 -1.28400 2.18700 1.000 C18 C 0.05500 -1.64800 0.74700 1.000 C19 C 1.41000 -2.29900 0.54300 1.000 C20 C 1.52700 -2.81400 -0.89400 1.000 O21 O 2.75100 -3.53600 -1.04300 1.000 C22 C 2.56400 -1.35900 0.86400 1.000 N23 N 2.82400 -0.40900 -0.21400 1.000 C24 C 4.13200 -0.46400 -0.89600 1.000 C25 C 5.10500 0.44500 -0.18900 1.000 N26 N 5.13200 1.72900 -0.48800 1.000 C27 C 5.96500 2.56100 0.10500 1.000 C28 C 6.84800 2.11100 1.06900 1.000 C29 C 6.84900 0.76700 1.40900 1.000 C30 C 5.95400 -0.07600 0.76800 1.000 H31 H -2.47100 2.04800 -1.13300 1.000 H32 H -6.14600 1.23100 0.87500 1.000 H33 H -3.44000 -1.94900 -0.00500 1.000 H34 H 0.10600 1.57500 -0.34000 1.000 H35 H 1.96100 0.76100 1.78300 1.000 H36 H 0.75400 2.02300 1.76500 1.000 H37 H 0.46900 0.21800 3.52100 1.000 H38 H -0.94500 0.68900 2.58900 1.000 H39 H 0.36500 -1.91400 2.84500 1.000 H40 H -1.29600 -1.50600 2.39700 1.000 H41 H -0.70000 -2.39900 0.45400 1.000 H42 H 1.47900 -3.17000 1.21600 1.000 H43 H 0.68700 -3.47400 -1.11200 1.000 H44 H 1.51500 -1.97100 -1.58400 1.000 H45 H 2.92700 -3.82800 -1.94800 1.000 H46 H 2.37900 -0.84800 1.80600 1.000 H47 H 3.47400 -1.96800 1.00800 1.000 H48 H 4.51000 -1.48600 -0.87700 1.000 H49 H 4.01600 -0.13900 -1.93000 1.000 H50 H 5.95900 3.60700 -0.16600 1.000 H51 H 7.53100 2.79700 1.54800 1.000 H52 H 7.52800 0.38700 2.15800 1.000 H53 H 5.92700 -1.12900 1.00800 1.000