# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '98P' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 3.38000 -1.39300 -1.41500 1.000 C1 C 3.23500 -0.23000 -0.53100 1.000 C2 C 1.78300 -0.05300 -0.16700 1.000 O3 O 1.01200 -0.98300 -0.28100 1.000 C4 C 4.05600 -0.45000 0.74200 1.000 C5 C 5.52000 -0.50300 0.39100 1.000 C6 C 6.27200 0.65600 0.38400 1.000 C7 C 6.11300 -1.71300 0.08300 1.000 C8 C 7.61600 0.60700 0.06200 1.000 C9 C 7.45600 -1.76200 -0.24300 1.000 C10 C 8.20800 -0.60200 -0.25100 1.000 N11 N 1.34100 1.13700 0.28400 1.000 C12 C -0.06400 1.48000 0.56900 1.000 C13 C -0.97800 0.83200 -0.44000 1.000 O14 O -0.56200 0.55800 -1.54600 1.000 C15 C -0.13000 3.02300 0.44300 1.000 C16 C 1.24000 3.44200 1.03800 1.000 C17 C 2.18000 2.30900 0.57400 1.000 C18 C -3.14400 -0.07100 -1.09400 1.000 C19 C -4.50800 -0.26800 -0.48400 1.000 C20 C -5.55900 0.55300 -0.84200 1.000 C21 C -7.84500 1.27800 -0.71900 1.000 C22 C -6.99800 -0.56100 0.57200 1.000 C23 C -5.99700 -1.42400 0.97500 1.000 C24 C -4.72500 -1.28100 0.44000 1.000 N25 N -2.25600 0.55800 -0.11400 1.000 N26 N -6.75600 0.38700 -0.31300 1.000 Cl27 Cl -3.43600 -2.34200 0.91500 1.000 H28 H 4.33500 -1.49500 -1.72500 1.000 H29 H 3.05600 -2.23500 -0.96200 1.000 H30 H 3.59200 0.66400 -1.04300 1.000 H31 H 3.75900 -1.39000 1.20700 1.000 H32 H 3.87800 0.37200 1.43600 1.000 H33 H 5.81000 1.60100 0.62900 1.000 H34 H 5.52700 -2.62000 0.09200 1.000 H35 H 8.20300 1.51400 0.05600 1.000 H36 H 7.91800 -2.70700 -0.48900 1.000 H37 H 9.25700 -0.64000 -0.50300 1.000 H38 H -0.33500 1.17000 1.57800 1.000 H39 H -0.21200 3.32600 -0.60000 1.000 H40 H -0.95200 3.42800 1.03300 1.000 H41 H 1.56100 4.40000 0.63000 1.000 H42 H 1.19300 3.48200 2.12600 1.000 H43 H 2.71300 2.61500 -0.32600 1.000 H44 H 2.89100 2.06900 1.36500 1.000 H45 H -2.73400 -1.03800 -1.38800 1.000 H46 H -3.22700 0.56900 -1.97200 1.000 H47 H -5.39900 1.34100 -1.56400 1.000 H48 H -8.36100 0.85200 -1.57900 1.000 H49 H -8.54800 1.39200 0.10600 1.000 H50 H -7.43700 2.25300 -0.98600 1.000 H51 H -7.99100 -0.66600 0.98300 1.000 H52 H -6.20200 -2.19800 1.70000 1.000 H53 H -2.58900 0.77800 0.77100 1.000