# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '054' 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 -0.43200 3.55600 -0.05700 1.000 C1 C -1.79000 3.49400 0.22600 1.000 C2 C -2.37000 2.31600 0.63900 1.000 C3 C 0.35200 2.44400 0.06500 1.000 C4 C -0.21500 1.23500 0.47700 1.000 C5 C -1.58900 1.17000 0.77500 1.000 N6 N -1.88100 -0.12000 1.15100 1.000 C7 C -0.73300 -0.89600 1.10500 1.000 C8 C 0.32500 -0.10700 0.70500 1.000 C9 C -0.65400 -2.31700 1.43800 1.000 O10 O 0.41000 -2.90200 1.36200 1.000 O11 O -1.76200 -2.98100 1.82800 1.000 C12 C -3.20700 -0.60300 1.54300 1.000 C13 C -3.94100 -1.10000 0.32400 1.000 C14 C 0.18000 4.85700 -0.50800 1.000 C15 C -4.73100 -0.24200 -0.42800 1.000 C16 C -5.39000 -0.72800 -1.54000 1.000 N17 N -5.27700 -1.99400 -1.89300 1.000 C18 C -4.53300 -2.84400 -1.20200 1.000 C19 C -3.83700 -2.42100 -0.07400 1.000 N20 N 1.64800 -0.51200 0.53500 1.000 C21 C 2.48700 -0.43800 1.57600 1.000 N22 N 3.77400 -0.80300 1.51400 1.000 C23 C 2.03900 -0.96900 -0.66800 1.000 O24 O 1.25200 -1.02800 -1.59400 1.000 O25 O 2.05700 -0.01800 2.63300 1.000 C26 C 4.08200 -1.89400 -1.95000 1.000 C27 C 3.44500 -1.40000 -0.84800 1.000 C28 C 4.32700 -1.29800 0.31200 1.000 C29 C 5.57100 -1.71100 0.04500 1.000 S30 S 5.71800 -2.23000 -1.62300 1.000 F31 F -0.81000 5.84300 -0.56300 1.000 F32 F 1.17300 5.24400 0.39800 1.000 F33 F 0.74500 4.69200 -1.77700 1.000 N34 N -4.44400 -4.17000 -1.60900 1.000 H35 H -2.39800 4.38100 0.12100 1.000 H36 H -3.42700 2.28000 0.85600 1.000 H37 H 1.40800 2.49900 -0.15700 1.000 H38 H -1.61200 -3.91500 2.02600 1.000 H39 H -3.10000 -1.41800 2.26000 1.000 H40 H -3.77000 0.21100 1.99900 1.000 H41 H -4.83000 0.79600 -0.14700 1.000 H42 H -6.00500 -0.06300 -2.12800 1.000 H43 H -3.22800 -3.11500 0.48600 1.000 H44 H 4.33300 -0.72600 2.30300 1.000 H45 H 3.60900 -2.04800 -2.90900 1.000 H46 H 6.37900 -1.72200 0.76200 1.000 H47 H -4.92400 -4.46900 -2.39700 1.000 H48 H -3.90000 -4.79700 -1.10600 1.000