# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NR' 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 0.96600 0.23900 0.49000 1.000 C1 C 1.35900 -0.64400 -0.61200 1.000 C2 C 0.32700 -1.73000 -0.77700 1.000 O3 O -0.63700 -1.76300 -0.05000 1.000 C4 C 2.71800 -1.27400 -0.30000 1.000 C5 C 3.78800 -0.18100 -0.25500 1.000 C6 C 5.14700 -0.81200 0.05600 1.000 N7 N 6.17200 0.23400 0.09900 1.000 C8 C 7.48000 -0.09500 0.36400 1.000 N9 N 8.39200 0.83500 0.40200 1.000 N10 N 7.82600 -1.40700 0.58800 1.000 O11 O 0.48000 -2.66000 -1.73300 1.000 S12 S 0.19000 1.66600 0.17000 1.000 O13 O 0.92300 2.29800 -0.87100 1.000 O14 O -0.05800 2.27900 1.42800 1.000 N15 N -5.81900 -0.69200 -0.01800 1.000 C16 C -1.38700 1.26300 -0.50600 1.000 C17 C -1.68200 1.58800 -1.79500 1.000 C18 C -2.92300 1.27700 -2.34600 1.000 C19 C -3.87600 0.63900 -1.61100 1.000 C20 C -3.60800 0.28900 -0.27900 1.000 C21 C -2.34400 0.59900 0.28100 1.000 C22 C -2.07100 0.24300 1.61300 1.000 C23 C -3.01600 -0.40000 2.35200 1.000 C24 C -4.26000 -0.71500 1.81100 1.000 C25 C -4.57100 -0.37200 0.51300 1.000 C26 C -6.05000 -2.14200 0.01700 1.000 C27 C -6.89000 0.03000 0.68200 1.000 H28 H 1.16000 -0.01300 1.40600 1.000 H29 H -0.20700 -3.33700 -1.80100 1.000 H30 H -6.01000 -2.49100 1.04900 1.000 H31 H -7.03100 -2.36400 -0.40300 1.000 H32 H -5.28200 -2.64700 -0.56700 1.000 H33 H -6.73100 1.10300 0.58000 1.000 H34 H -7.85300 -0.23800 0.24700 1.000 H35 H -6.88000 -0.24100 1.73800 1.000 H36 H -0.94300 2.09400 -2.39800 1.000 H37 H -3.13200 1.54500 -3.37100 1.000 H38 H -4.83400 0.40500 -2.05100 1.000 H39 H -1.11200 0.47900 2.05000 1.000 H40 H -2.79800 -0.66900 3.37500 1.000 H41 H -4.99200 -1.22600 2.41900 1.000 H42 H 1.42900 -0.06600 -1.53300 1.000 H43 H 2.67200 -1.77800 0.66500 1.000 H44 H 2.96900 -1.99700 -1.07600 1.000 H45 H 3.83400 0.32200 -1.22100 1.000 H46 H 3.53700 0.54200 0.52000 1.000 H47 H 5.10100 -1.31500 1.02100 1.000 H48 H 5.39800 -1.53500 -0.72000 1.000 H49 H 9.31500 0.60200 0.58900 1.000 H50 H 7.14800 -2.09900 0.56000 1.000 H51 H 8.74900 -1.64000 0.77500 1.000 H52 H 5.92800 1.16000 -0.05900 1.000