# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0UP' 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 2.08800 2.30700 2.43200 1.000 C1 C -2.67200 1.68400 -0.82800 1.000 C2 C 2.48800 1.12000 1.85200 1.000 C3 C -3.77700 1.82200 -1.64700 1.000 C4 C 1.70100 3.37100 1.63800 1.000 C5 C -3.74500 -0.11800 0.33100 1.000 C6 C 2.11200 2.06200 -0.32800 1.000 C7 C -2.65600 0.71600 0.15800 1.000 C8 C 2.50100 0.99300 0.46800 1.000 C9 C -4.87400 0.99300 -1.47600 1.000 C10 C -4.86000 0.02300 -0.47900 1.000 C11 C 1.71700 3.25100 0.25900 1.000 C12 C 0.96700 -0.88100 -1.45100 1.000 C13 C 1.38800 -1.89500 0.79200 1.000 C14 C 2.87900 -2.45900 -1.13300 1.000 C15 C 0.10700 0.18400 -0.76700 1.000 C16 C 0.51600 -0.80000 1.41000 1.000 C17 C 2.05400 -1.35200 -0.47800 1.000 C18 C -0.16600 -1.34000 2.66800 1.000 C19 C -6.10300 -1.33200 2.03900 1.000 C20 C -6.77300 -2.98200 0.28700 1.000 C21 C 5.33100 -3.32300 -0.64600 1.000 C22 C -1.44800 0.56900 1.04800 1.000 C23 C -5.79500 -1.85800 0.63600 1.000 N24 N 2.90600 -0.20700 -0.12100 1.000 N25 N 4.30000 -2.29000 -0.77900 1.000 N26 N -0.50600 -0.38100 0.44200 1.000 O27 O 4.70000 -0.07000 -1.84400 1.000 O28 O 5.29000 -0.43700 0.56700 1.000 O29 O -5.96300 1.12900 -2.28000 1.000 O30 O -5.93200 -0.79700 -0.31100 1.000 F31 F 1.33700 4.29200 -0.51400 1.000 S32 S 4.45500 -0.63900 -0.56500 1.000 H33 H 2.07400 2.40400 3.50800 1.000 H34 H -1.81800 2.33100 -0.96300 1.000 H35 H 2.79100 0.29000 2.47300 1.000 H36 H -3.78600 2.57700 -2.42000 1.000 H37 H 1.38400 4.29700 2.09500 1.000 H38 H -3.72600 -0.88000 1.09600 1.000 H39 H 2.12500 1.96800 -1.40400 1.000 H40 H 0.34100 -1.72700 -1.73500 1.000 H41 H 1.43300 -0.45800 -2.34100 1.000 H42 H 2.15500 -2.19500 1.50600 1.000 H43 H 0.76900 -2.75600 0.53900 1.000 H44 H 2.53000 -3.42900 -0.78100 1.000 H45 H 2.76600 -2.40300 -2.21600 1.000 H46 H 0.73100 1.03500 -0.49400 1.000 H47 H -0.67600 0.51300 -1.45100 1.000 H48 H 1.13800 0.05600 1.67300 1.000 H49 H 0.58400 -1.77300 3.33000 1.000 H50 H -0.67900 -0.52700 3.18200 1.000 H51 H -0.88900 -2.10600 2.38900 1.000 H52 H -5.40600 -0.53100 2.28800 1.000 H53 H -7.12300 -0.94900 2.06800 1.000 H54 H -5.99800 -2.14200 2.76200 1.000 H55 H -7.79300 -2.59900 0.31600 1.000 H56 H -6.55400 -3.35700 -0.71300 1.000 H57 H -6.66800 -3.79200 1.01000 1.000 H58 H 5.82200 -3.47200 -1.60800 1.000 H59 H 6.06800 -3.00800 0.09300 1.000 H60 H 4.87000 -4.25700 -0.32500 1.000 H61 H -0.96300 1.53800 1.16400 1.000 H62 H -1.75900 0.19900 2.02500 1.000 H63 H -4.77500 -2.24200 0.60700 1.000 H64 H -5.92900 0.58900 -3.08200 1.000