# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9QR' 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 7.26300 1.50400 -1.07900 1.000 C1 C 7.90800 0.40200 -1.43300 1.000 N2 N 7.51800 -0.79400 -1.02300 1.000 C3 C 6.45900 -0.93500 -0.23600 1.000 C4 C 5.75600 0.19000 0.15800 1.000 C5 C 6.19400 1.44100 -0.29300 1.000 N6 N 5.52200 2.59800 0.07600 1.000 C7 C 3.38800 0.03700 0.32700 1.000 C8 C -2.44000 -0.10900 2.16700 1.000 C9 C -5.41200 -0.23100 -0.13100 1.000 C10 C -5.25100 3.07200 -0.14500 1.000 N11 N 9.01900 0.50500 -2.25400 1.000 C12 C 6.02700 -2.30400 0.22200 1.000 C13 C 6.79200 -2.68100 1.49300 1.000 O14 O 4.66600 0.08200 0.96500 1.000 C15 C 2.28700 0.01900 1.38900 1.000 C16 C 0.91900 -0.03000 0.70600 1.000 O17 O -0.10900 -0.04700 1.69800 1.000 C18 C -1.39300 -0.09000 1.25500 1.000 C19 C -3.74400 -0.15800 1.72100 1.000 C20 C -1.65500 -0.11600 -0.10800 1.000 C21 C -2.95700 -0.16000 -0.56100 1.000 C22 C -4.01100 -0.18400 0.35200 1.000 C23 C -6.28400 0.83100 0.09900 1.000 C24 C -5.81700 2.05300 0.84600 1.000 C25 C -5.89400 -1.34800 -0.83800 1.000 N26 N -5.06800 -2.42700 -1.09800 1.000 N27 N -7.15600 -1.34800 -1.25300 1.000 C28 C -7.95000 -0.31700 -1.00600 1.000 N29 N -7.52700 0.75200 -0.34700 1.000 N30 N -9.25900 -0.35600 -1.45400 1.000 H31 H 5.83200 3.46100 -0.24000 1.000 H32 H 4.74200 2.54300 0.65100 1.000 H33 H 3.26700 0.91600 -0.30700 1.000 H34 H 3.31900 -0.86300 -0.28400 1.000 H35 H -2.23300 -0.08900 3.22600 1.000 H36 H -4.91400 3.95600 0.39500 1.000 H37 H -4.41000 2.63000 -0.68000 1.000 H38 H -6.02600 3.35500 -0.85800 1.000 H39 H 9.50000 -0.29300 -2.52200 1.000 H40 H 9.31600 1.37600 -2.56200 1.000 H41 H 4.95700 -2.29600 0.43100 1.000 H42 H 6.24000 -3.03300 -0.56000 1.000 H43 H 7.85400 -2.76800 1.26500 1.000 H44 H 6.64400 -1.91000 2.24800 1.000 H45 H 6.42200 -3.63500 1.87000 1.000 H46 H 2.40800 -0.86000 2.02300 1.000 H47 H 2.35600 0.91900 2.00000 1.000 H48 H 0.79800 0.84900 0.07200 1.000 H49 H 0.85000 -0.93000 0.09500 1.000 H50 H -4.55800 -0.17700 2.43000 1.000 H51 H -0.83900 -0.10100 -0.81500 1.000 H52 H -3.16100 -0.17900 -1.62100 1.000 H53 H -5.04200 1.77000 1.55900 1.000 H54 H -6.65800 2.49600 1.38100 1.000 H55 H -4.14800 -2.41800 -0.79100 1.000 H56 H -5.40900 -3.19200 -1.58700 1.000 H57 H -9.58200 -1.13000 -1.94100 1.000 H58 H -9.85300 0.39100 -1.28100 1.000