# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0UQ' 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 0.74100 1.61500 0.77000 1.000 C1 C -0.11300 0.34900 0.67500 1.000 N2 N -0.54800 0.15300 -0.71400 1.000 C3 C 0.60000 -0.03100 -1.61000 1.000 C4 C 1.47700 1.22300 -1.58400 1.000 C5 C 1.95900 1.47100 -0.15000 1.000 C6 C 0.10100 -0.27500 -3.03600 1.000 N7 N 2.76000 0.31900 0.29200 1.000 C8 C 2.78600 2.75600 -0.10600 1.000 C9 C 2.33800 -1.00700 0.40700 1.000 C10 C 1.78500 -1.46000 1.59900 1.000 C11 C 1.36700 -2.77100 1.71100 1.000 C12 C 1.49800 -3.63500 0.64000 1.000 C13 C 2.04900 -3.18800 -0.55000 1.000 C14 C 2.46400 -1.87300 -0.67000 1.000 F15 F 2.17500 -4.03400 -1.59500 1.000 C16 C -1.48400 -0.97400 -0.81900 1.000 C17 C -2.74400 -0.65300 -0.05600 1.000 C18 C -3.79400 -0.02200 -0.69300 1.000 C19 C -4.95400 0.27300 0.00900 1.000 C20 C -5.05600 -0.06800 1.35000 1.000 C21 C -4.00200 -0.70000 1.98200 1.000 C22 C -2.85000 -0.99700 1.27900 1.000 O23 O -5.98900 0.89400 -0.61600 1.000 C24 C -7.17900 1.09900 0.14800 1.000 C25 C -7.98700 2.24500 -0.46300 1.000 C26 C -8.01900 -0.18000 0.13700 1.000 S27 S 4.27900 0.92500 0.62600 1.000 N28 N 4.22100 2.42000 -0.12100 1.000 O29 O 5.21600 0.13100 -0.08900 1.000 C30 C 5.33100 3.20800 -0.66100 1.000 O31 O 4.34200 1.15600 2.02600 1.000 H32 H 0.15000 2.47700 0.46000 1.000 H33 H 1.07600 1.75300 1.79800 1.000 H34 H 0.47500 -0.51100 0.99500 1.000 H35 H -0.98700 0.45100 1.31800 1.000 H36 H 1.18500 -0.88900 -1.27900 1.000 H37 H 2.33700 1.08000 -2.23900 1.000 H38 H 0.89600 2.08000 -1.92700 1.000 H39 H -0.45700 0.59700 -3.37900 1.000 H40 H 0.95200 -0.44500 -3.69500 1.000 H41 H -0.54900 -1.15000 -3.04800 1.000 H42 H 2.54800 3.37100 -0.97400 1.000 H43 H 2.55100 3.30700 0.80400 1.000 H44 H 1.68300 -0.78600 2.43700 1.000 H45 H 0.93800 -3.12300 2.63800 1.000 H46 H 1.17100 -4.66000 0.73100 1.000 H47 H 2.88900 -1.52300 -1.59900 1.000 H48 H -1.72800 -1.14800 -1.86700 1.000 H49 H -1.02400 -1.86900 -0.40000 1.000 H50 H -3.71300 0.24300 -1.73700 1.000 H51 H -5.95700 0.16000 1.89900 1.000 H52 H -4.08100 -0.96500 3.02600 1.000 H53 H -2.02900 -1.49400 1.77400 1.000 H54 H -6.91300 1.34900 1.17500 1.000 H55 H -8.89400 2.40100 0.11900 1.000 H56 H -7.38800 3.15600 -0.45500 1.000 H57 H -8.25300 1.99500 -1.49000 1.000 H58 H -7.44300 -0.99700 0.57300 1.000 H59 H -8.92700 -0.02400 0.71900 1.000 H60 H -8.28500 -0.43100 -0.89000 1.000 H61 H 5.72400 3.86400 0.11600 1.000 H62 H 6.12000 2.53800 -1.00400 1.000 H63 H 4.97600 3.80900 -1.49900 1.000