# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CEL' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S -1.15400 0.00100 -4.77900 1.000 C1 C -0.97700 0.00000 -3.02600 1.000 C2 C -1.77200 -0.82400 -2.25200 1.000 C3 C -1.63500 -0.82700 -0.87800 1.000 C4 C -0.69800 0.00000 -0.27300 1.000 C5 C 0.09300 0.83200 -1.05200 1.000 C6 C -0.04300 0.82500 -2.42700 1.000 N7 N -0.55700 0.00000 1.12000 1.000 C8 C 0.61900 -0.03100 1.81100 1.000 C9 C 1.97800 -0.06500 1.22700 1.000 C10 C 2.18100 -0.60700 -0.04200 1.000 C11 C 3.45000 -0.63600 -0.58200 1.000 C12 C 4.52100 -0.13000 0.13300 1.000 C13 C 5.90500 -0.16500 -0.46200 1.000 C14 C 4.32700 0.40300 1.39400 1.000 C15 C 3.06200 0.44200 1.94300 1.000 C16 C 0.31000 -0.01800 3.14200 1.000 C17 C -1.07900 0.01500 3.25800 1.000 C18 C -1.85300 0.03900 4.55100 1.000 F19 F -3.22400 0.07100 4.27300 1.000 F20 F -1.55500 -1.10800 5.29300 1.000 F21 F -1.49900 1.17500 5.28600 1.000 N22 N -1.59900 0.02400 2.05600 1.000 N23 N -2.28700 1.14600 -5.16200 1.000 O24 O 0.07700 0.48900 -5.29100 1.000 O25 O -1.74300 -1.24900 -5.10700 1.000 H26 H -2.50000 -1.46800 -2.72300 1.000 H27 H -2.25600 -1.47200 -0.27400 1.000 H28 H 0.82300 1.47700 -0.58500 1.000 H29 H 0.57600 1.46900 -3.03400 1.000 H30 H 1.34600 -1.00200 -0.60200 1.000 H31 H 3.60900 -1.05400 -1.56500 1.000 H32 H 6.08200 0.75100 -1.02500 1.000 H33 H 6.64200 -0.24900 0.33600 1.000 H34 H 5.99200 -1.02300 -1.12800 1.000 H35 H 5.16700 0.79600 1.94800 1.000 H36 H 2.91100 0.86300 2.92600 1.000 H37 H 1.01600 -0.03300 3.95900 1.000 H38 H -2.52700 1.30000 -6.08900 1.000 H39 H -2.71000 1.66400 -4.45900 1.000