# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9Q5' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 3.22400 1.63200 -2.31600 1.000 O1 O -3.48000 -0.02800 -1.73600 1.000 C2 C 6.69000 -0.89900 2.45200 1.000 N3 N -7.03200 1.13100 -1.03700 1.000 C4 C 9.60100 -2.61000 1.15800 1.000 C5 C 8.42000 -1.88400 1.20600 1.000 C6 C -3.51700 0.53300 -0.42200 1.000 C7 C -2.23200 1.32400 -0.16700 1.000 C8 C 8.43500 -1.73800 -1.22000 1.000 N9 N -7.93900 0.21900 -1.02100 1.000 O10 O 0.66300 2.19500 -1.20600 1.000 O11 O 0.47700 4.81000 -2.38500 1.000 C12 C 3.09200 1.47200 0.09400 1.000 C13 C 1.90000 0.51400 0.01300 1.000 C14 C -4.72000 1.47300 -0.30100 1.000 C15 C 1.73000 3.14400 -1.16200 1.000 C16 C 1.67500 4.03100 -2.40800 1.000 C17 C 3.06900 2.40200 -1.12200 1.000 O18 O -2.29600 1.93300 1.12400 1.000 C19 C 0.60600 1.32900 -0.07100 1.000 C20 C -4.70500 2.12800 1.08400 1.000 C21 C 7.83000 -1.44300 0.00700 1.000 C22 C -3.37300 2.85900 1.28000 1.000 F23 F -11.39000 -3.68400 -0.79700 1.000 C24 C -10.11600 -3.52100 -0.38000 1.000 C25 C -9.46000 -4.55800 0.26400 1.000 C26 C -9.46400 -2.32200 -0.60300 1.000 C27 C -8.15000 -2.15700 -0.17300 1.000 C28 C -7.49800 -3.20200 0.47900 1.000 C29 C -8.15500 -4.39700 0.69200 1.000 C30 C -7.44500 -0.87200 -0.40900 1.000 C31 C -6.16600 -0.56100 -0.05000 1.000 N32 N -5.95900 0.70900 -0.46800 1.000 O33 O -4.85000 1.12200 2.08900 1.000 C34 C -3.32500 3.46500 2.68400 1.000 O35 O -2.13500 4.24200 2.82800 1.000 S36 S -0.80700 0.20400 -0.23800 1.000 O37 O 1.87100 -0.31200 1.17900 1.000 O38 O 4.30800 0.72200 0.09900 1.000 C39 C 4.76200 0.35800 1.40400 1.000 C40 C 6.04400 -0.42600 1.29100 1.000 C41 C 6.58200 -0.67800 0.06900 1.000 F42 F 7.87300 -1.31700 -2.37400 1.000 C43 C 9.61100 -2.46300 -1.24200 1.000 F44 F 10.20100 -2.75100 -2.42300 1.000 C45 C 10.19000 -2.89500 -0.05700 1.000 O46 O 7.83300 -1.59900 2.38800 1.000 O47 O 6.20000 -0.66100 3.54200 1.000 H48 H 3.21900 2.15800 -3.12700 1.000 H49 H -2.74100 -0.63300 -1.88400 1.000 H50 H 10.06100 -2.95200 2.07400 1.000 H51 H -3.60400 -0.26700 0.31300 1.000 H52 H -2.12400 2.09800 -0.92800 1.000 H53 H 0.37600 5.39700 -3.14700 1.000 H54 H 3.02500 2.06200 1.00800 1.000 H55 H 1.99400 -0.11200 -0.87400 1.000 H56 H -4.66100 2.24300 -1.07000 1.000 H57 H 1.63100 3.76300 -0.27100 1.000 H58 H 1.68500 3.40500 -3.30000 1.000 H59 H 2.54000 4.69400 -2.42000 1.000 H60 H 3.88300 3.12400 -1.04500 1.000 H61 H 0.49100 1.92300 0.83600 1.000 H62 H -5.52800 2.83900 1.16000 1.000 H63 H -3.28000 3.65200 0.53800 1.000 H64 H -9.97000 -5.49500 0.43300 1.000 H65 H -9.97400 -1.51500 -1.10900 1.000 H66 H -6.47900 -3.07800 0.81400 1.000 H67 H -7.65000 -5.20700 1.19800 1.000 H68 H -5.46200 -1.19800 0.46500 1.000 H69 H -4.84900 1.46700 2.99300 1.000 H70 H -4.19600 4.10300 2.83400 1.000 H71 H -3.32900 2.66500 3.42500 1.000 H72 H -2.03800 4.65700 3.69600 1.000 H73 H 1.13900 -0.94400 1.19500 1.000 H74 H 4.93800 1.25900 1.99200 1.000 H75 H 4.00500 -0.25400 1.89500 1.000 H76 H 6.10300 -0.32400 -0.83100 1.000 H77 H 11.11000 -3.46000 -0.08600 1.000