# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C3V' 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 -4.22300 0.19300 -0.13200 1.000 C1 C -5.41200 -0.27300 0.46000 1.000 C2 C -0.56100 -0.37000 0.49700 1.000 C3 C -2.89200 -0.46100 -0.06000 1.000 C4 C -2.73800 -1.77800 -0.48600 1.000 C5 C -1.50000 -2.39000 -0.42200 1.000 C6 C -0.41000 -1.68600 0.06800 1.000 C7 C -1.79400 0.24100 0.43400 1.000 C8 C -1.95600 1.66600 0.89900 1.000 N9 N -5.83100 1.59800 -0.61400 1.000 C10 C -4.51600 1.35200 -0.78900 1.000 C11 C -6.57000 2.74300 -1.15100 1.000 C12 C 0.96700 -3.73600 -0.02900 1.000 C13 C 0.08600 -4.14200 -1.21800 1.000 C14 C -1.37100 -3.81700 -0.88600 1.000 C15 C 1.99700 -1.50100 0.35400 1.000 C16 C 2.78900 -1.74000 1.47100 1.000 C17 C 3.91700 -0.97100 1.67900 1.000 C18 C 4.24900 0.02700 0.78000 1.000 C19 C 3.46900 0.28600 -0.34800 1.000 C20 C 2.32700 -0.50500 -0.54400 1.000 C21 C 5.05600 1.95000 -0.78000 1.000 C22 C 3.22300 1.70100 -2.36400 1.000 F23 F -3.16100 1.79400 1.59800 1.000 F24 F -0.89100 2.00600 1.73900 1.000 N25 N 0.85600 -2.28000 0.13500 1.000 N26 N 3.93800 1.31500 -1.14500 1.000 N27 N -6.36800 0.56900 0.16900 1.000 O28 O 5.59900 2.86900 -1.36400 1.000 S29 S 5.58800 1.18200 0.72500 1.000 H30 H -5.51700 -1.17100 1.05200 1.000 H31 H 0.28900 0.17100 0.88400 1.000 H32 H -3.58900 -2.32200 -0.86800 1.000 H33 H -1.96400 2.33100 0.03500 1.000 H34 H -3.82200 1.96200 -1.34700 1.000 H35 H -6.96600 2.49200 -2.13500 1.000 H36 H -7.39200 2.99200 -0.48100 1.000 H37 H -5.90000 3.59900 -1.23700 1.000 H38 H 0.62100 -4.23700 0.87500 1.000 H39 H 2.00300 -4.00800 -0.22800 1.000 H40 H 0.39100 -3.58800 -2.10500 1.000 H41 H 0.18900 -5.21200 -1.40000 1.000 H42 H -1.71800 -4.48500 -0.09800 1.000 H43 H -1.98300 -3.96300 -1.77600 1.000 H44 H 2.52600 -2.52000 2.17000 1.000 H45 H 4.54000 -1.14800 2.54300 1.000 H46 H 1.70200 -0.33600 -1.40800 1.000 H47 H 2.48800 2.46900 -2.12600 1.000 H48 H 3.93400 2.09100 -3.09300 1.000 H49 H 2.71800 0.83000 -2.78000 1.000