# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C6R' 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 -0.24300 -0.79700 -2.04000 1.000 C1 C 1.01800 -1.19700 -2.43500 1.000 C2 C 2.08400 -1.09500 -1.55800 1.000 C3 C 1.88900 -0.59000 -0.28300 1.000 C4 C 0.62900 -0.18900 0.11600 1.000 C5 C 3.05100 -0.48100 0.67000 1.000 C6 C 4.10800 0.43000 0.05500 1.000 N7 N 4.99900 -3.51400 1.37700 1.000 N8 N -1.71800 0.12100 -0.36200 1.000 O9 O -7.82900 0.79600 1.04500 1.000 C10 C 5.32800 0.47800 0.98400 1.000 N11 N -4.27900 0.81500 0.58900 1.000 C12 C 4.76700 -2.19200 1.07800 1.000 C13 C -2.80800 -0.54000 -0.80000 1.000 C14 C -4.14800 -0.17100 -0.29700 1.000 C15 C -5.47200 1.14300 1.03600 1.000 C16 C -6.60100 0.45800 0.58300 1.000 C17 C -5.27600 -0.85500 -0.74900 1.000 C18 C 2.56100 0.14700 1.97600 1.000 F19 F -8.96300 -1.21300 1.13200 1.000 C20 C -8.94000 0.05300 0.53900 1.000 N21 N -6.47200 -0.52400 -0.29900 1.000 O22 O -2.68800 -1.44100 -1.60800 1.000 C23 C -0.44200 -0.29100 -0.76300 1.000 F24 F 3.31700 -1.48800 -1.94600 1.000 N25 N 3.55300 -1.80900 0.94900 1.000 S26 S 6.15800 -1.13100 0.89600 1.000 C27 C 3.54300 1.81700 -0.11000 1.000 C28 C 3.46600 2.66500 0.97900 1.000 C29 C 2.95300 3.94000 0.82700 1.000 C30 C 2.51900 4.36700 -0.41400 1.000 C31 C 2.59700 3.52000 -1.50300 1.000 C32 C 3.10900 2.24400 -1.35100 1.000 H33 H -1.07400 -0.87300 -2.72600 1.000 H34 H 1.17300 -1.59100 -3.42900 1.000 H35 H 0.47700 0.20500 1.11000 1.000 H36 H 4.40500 0.03800 -0.91800 1.000 H37 H 4.25300 -4.12500 1.48500 1.000 H38 H 5.90800 -3.83600 1.48100 1.000 H39 H -1.81800 0.88300 0.23000 1.000 H40 H 6.01000 1.26400 0.65800 1.000 H41 H 5.00500 0.67100 2.00700 1.000 H42 H -5.57800 1.94300 1.75400 1.000 H43 H -5.17100 -1.65400 -1.46700 1.000 H44 H 1.86300 -0.53200 2.46600 1.000 H45 H 3.41100 0.33100 2.63200 1.000 H46 H 2.05800 1.09000 1.76000 1.000 H47 H -9.86500 0.58000 0.77100 1.000 H48 H -8.84400 -0.05300 -0.54200 1.000 H49 H 3.80500 2.33200 1.94900 1.000 H50 H 2.89100 4.60200 1.67800 1.000 H51 H 2.11700 5.36300 -0.53200 1.000 H52 H 2.25800 3.85300 -2.47300 1.000 H53 H 3.17400 1.58400 -2.20300 1.000