# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9QA' 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 -9.45900 -0.28000 -0.54400 1.000 C1 C -9.04900 -0.10100 0.76400 1.000 C2 C -7.80800 0.44800 1.03100 1.000 C3 C -6.97800 0.81900 -0.01100 1.000 C4 C -7.38900 0.64000 -1.31900 1.000 C5 C -8.62700 0.08600 -1.58500 1.000 C6 C -5.62700 1.41800 0.28000 1.000 C7 C -4.58400 0.30300 0.37500 1.000 C8 C -3.23200 0.90300 0.66600 1.000 O9 O -3.11500 2.10400 0.78500 1.000 N10 N -2.15400 0.10400 0.79300 1.000 C11 C -2.28000 -1.35200 0.64600 1.000 C12 C -1.27000 -1.83100 -0.40300 1.000 C13 C 0.13100 -1.35700 -0.00900 1.000 C14 C 0.16200 0.17200 0.02900 1.000 C15 C -0.83000 0.67400 1.07600 1.000 C16 C 1.14700 -1.86300 -1.03600 1.000 N17 N 2.48800 -1.41000 -0.65900 1.000 C18 C 3.25800 -2.18400 0.14900 1.000 N19 N 4.45500 -1.85300 0.52700 1.000 C20 C 5.02800 -0.68900 0.13200 1.000 C21 C 6.31500 -0.33000 0.53600 1.000 C22 C 6.85400 0.86400 0.10800 1.000 C23 C 6.13100 1.71400 -0.72100 1.000 C24 C 4.86900 1.38300 -1.13000 1.000 C25 C 4.30200 0.18200 -0.71200 1.000 C26 C 2.95100 -0.22600 -1.12500 1.000 O27 O 2.27400 0.47500 -1.85400 1.000 Cl28 Cl 8.45400 1.31200 0.61100 1.000 O29 O 0.46200 -1.87300 1.28200 1.000 H30 H -10.42800 -0.70800 -0.75200 1.000 H31 H -9.69700 -0.39100 1.57800 1.000 H32 H -7.48800 0.58800 2.05300 1.000 H33 H -6.74000 0.93000 -2.13200 1.000 H34 H -8.94700 -0.05400 -2.60700 1.000 H35 H -5.35300 2.10400 -0.52300 1.000 H36 H -5.66600 1.96100 1.22400 1.000 H37 H -4.85700 -0.38200 1.17700 1.000 H38 H -4.54500 -0.24000 -0.56900 1.000 H39 H -2.07200 -1.83600 1.60000 1.000 H40 H -3.29000 -1.60100 0.32000 1.000 H41 H -1.28600 -2.92000 -0.45200 1.000 H42 H -1.53400 -1.41800 -1.37600 1.000 H43 H 1.16600 0.50900 0.28700 1.000 H44 H -0.11400 0.56600 -0.94900 1.000 H45 H -0.88300 1.76200 1.03500 1.000 H46 H -0.50100 0.35900 2.06700 1.000 H47 H 1.12500 -2.95200 -1.06200 1.000 H48 H 0.89400 -1.47000 -2.02100 1.000 H49 H 2.85300 -3.12400 0.49600 1.000 H50 H 6.88400 -0.98400 1.18100 1.000 H51 H 6.57100 2.64500 -1.04500 1.000 H52 H 4.31500 2.04900 -1.77600 1.000 H53 H 1.33900 -1.61200 1.59600 1.000