# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0SC' 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 -4.36700 -2.22800 0.48900 1.000 C1 C -5.03100 -1.06300 0.65500 1.000 C2 C -6.33600 -1.07100 1.12500 1.000 C3 C -7.03000 0.10700 1.30100 1.000 C4 C -6.42800 1.32600 1.00800 1.000 N5 N -6.85700 2.63400 1.08000 1.000 C6 C -5.86000 3.47200 0.66800 1.000 C7 C -4.77500 2.75700 0.32200 1.000 C8 C -5.10700 1.34900 0.53100 1.000 C9 C -4.40200 0.14300 0.35900 1.000 C10 C -3.00800 0.15600 -0.13700 1.000 N11 N -2.44800 1.32200 -0.40000 1.000 C12 C -1.19100 1.39400 -0.85100 1.000 C13 C -0.56900 2.62100 -1.14000 1.000 C14 C 0.72000 2.59700 -1.59700 1.000 N15 N -2.38000 -1.00900 -0.29000 1.000 C16 C -1.13300 -1.06700 -0.73000 1.000 N17 N -0.48700 -2.27500 -0.88700 1.000 C18 C 0.76300 -2.30900 -0.11500 1.000 C19 C 1.47500 -3.64100 -0.36300 1.000 O20 O 0.59700 -4.71600 -0.01900 1.000 C21 C -0.63000 -4.71500 -0.75300 1.000 C22 C -1.36300 -3.39300 -0.50800 1.000 C23 C -0.46100 0.19600 -1.04500 1.000 N24 N 0.79000 0.23700 -1.49200 1.000 C25 C 1.37700 1.38000 -1.76400 1.000 C26 C 2.79600 1.37500 -2.26900 1.000 N27 N 3.72100 1.32400 -1.12900 1.000 C28 C 5.10500 1.55600 -1.56300 1.000 C29 C 6.01800 1.64100 -0.33800 1.000 C30 C 3.59700 0.05200 -0.40600 1.000 C31 C 4.46500 0.09200 0.85400 1.000 C32 C 5.92400 0.33400 0.45500 1.000 C33 C 6.78700 0.43600 1.71400 1.000 O34 O 6.78600 -0.82000 2.39600 1.000 C35 C 8.22000 0.80100 1.32100 1.000 C36 C 6.22000 1.51800 2.63500 1.000 H37 H -6.81400 -2.01200 1.35600 1.000 H38 H -8.04600 0.08300 1.66800 1.000 H39 H -7.73600 2.91700 1.37800 1.000 H40 H -5.93200 4.54900 0.62600 1.000 H41 H -3.83600 3.14900 -0.04000 1.000 H42 H -1.09300 3.55600 -1.00600 1.000 H43 H 1.22800 3.52100 -1.83000 1.000 H44 H 1.40800 -1.48700 -0.42900 1.000 H45 H 0.53800 -2.20900 0.94700 1.000 H46 H 1.74800 -3.71700 -1.41600 1.000 H47 H 2.37400 -3.69400 0.25100 1.000 H48 H -0.41800 -4.82200 -1.81700 1.000 H49 H -1.25400 -5.54500 -0.42100 1.000 H50 H -1.62200 -3.31100 0.54800 1.000 H51 H -2.27200 -3.36400 -1.11000 1.000 H52 H 2.95300 0.50200 -2.90300 1.000 H53 H 2.98000 2.28100 -2.84600 1.000 H54 H 5.42800 0.73200 -2.20000 1.000 H55 H 5.15900 2.49000 -2.12100 1.000 H56 H 7.04700 1.79700 -0.66100 1.000 H57 H 5.70400 2.47300 0.29300 1.000 H58 H 2.55600 -0.10600 -0.12500 1.000 H59 H 3.92800 -0.76400 -1.04900 1.000 H60 H 4.12700 0.90000 1.50300 1.000 H61 H 4.38400 -0.85800 1.38200 1.000 H62 H 6.27400 -0.49300 -0.16200 1.000 H63 H 7.13300 -1.55300 1.87000 1.000 H64 H 8.22200 1.75900 0.80100 1.000 H65 H 8.83600 0.87400 2.21800 1.000 H66 H 8.62500 0.03100 0.66400 1.000 H67 H 5.19900 1.25800 2.91500 1.000 H68 H 6.83500 1.59000 3.53200 1.000 H69 H 6.22100 2.47600 2.11500 1.000