# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0RT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F0 F 6.04300 1.26400 0.69700 1.000 C1 C 5.07800 2.18300 0.27100 1.000 F2 F 4.10700 2.33500 1.26600 1.000 F3 F 5.68800 3.41700 0.02100 1.000 C4 C 4.41800 1.67100 -1.01100 1.000 C5 C 3.76200 0.34100 -0.74200 1.000 S6 S 4.55900 -1.21000 -0.92600 1.000 C7 C 2.51600 0.19700 -0.33300 1.000 C8 C 2.09700 -1.17800 -0.13200 1.000 C9 C 3.11800 -2.08500 -0.42700 1.000 N10 N 2.88400 -3.39600 -0.29000 1.000 C11 C 1.71600 -3.83700 0.11400 1.000 N12 N 0.71800 -3.02000 0.40500 1.000 C13 C 0.85200 -1.70700 0.29600 1.000 N14 N -0.20100 -0.86500 0.60300 1.000 C15 C -1.37900 -1.63100 1.03100 1.000 C16 C -2.45700 -0.66500 1.53400 1.000 C17 C -0.52000 0.01400 -0.52900 1.000 C18 C -1.56300 1.04800 -0.09100 1.000 N19 N -2.71300 0.33600 0.48600 1.000 C20 C -3.99400 0.59800 0.05800 1.000 S21 S -5.45100 -0.19100 0.67400 1.000 C22 C -6.61300 0.71800 -0.39600 1.000 C23 C -7.36700 -0.24500 -1.31400 1.000 C24 C -7.59300 1.53700 0.44600 1.000 C25 C -5.69400 1.63900 -1.21300 1.000 N26 N -4.30700 1.45600 -0.84500 1.000 H27 H 3.66600 2.38700 -1.34400 1.000 H28 H 5.17500 1.55200 -1.78700 1.000 H29 H 1.85900 1.03600 -0.16000 1.000 H30 H 1.56400 -4.90200 0.21300 1.000 H31 H -1.76800 -2.20300 0.18900 1.000 H32 H -1.09800 -2.31200 1.83500 1.000 H33 H -3.37400 -1.21600 1.74500 1.000 H34 H -2.11100 -0.16900 2.44100 1.000 H35 H 0.38400 0.52700 -0.85700 1.000 H36 H -0.92000 -0.58000 -1.35000 1.000 H37 H -1.12900 1.71100 0.65800 1.000 H38 H -1.88800 1.62900 -0.95400 1.000 H39 H -7.94900 -0.94300 -0.71100 1.000 H40 H -8.03700 0.32000 -1.96200 1.000 H41 H -6.65400 -0.80000 -1.92400 1.000 H42 H -7.03800 2.23600 1.07300 1.000 H43 H -8.26200 2.09200 -0.21200 1.000 H44 H -8.17800 0.86800 1.07700 1.000 H45 H -5.81700 1.41700 -2.27300 1.000 H46 H -5.97300 2.67600 -1.03100 1.000