# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99R' 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 1.66000 2.51200 -1.02400 1.000 C1 C -3.22700 -1.06500 1.46000 1.000 C2 C -2.88800 0.06500 2.43700 1.000 C3 C -3.59200 1.34900 1.99100 1.000 C4 C -3.43800 0.63500 -0.40000 1.000 C5 C 1.64000 0.27100 -0.24700 1.000 C6 C 2.44200 -0.68000 0.37600 1.000 N7 N 3.67600 -0.08300 0.60200 1.000 C8 C 3.66400 1.20500 0.16500 1.000 C9 C 0.31900 0.06900 -0.64600 1.000 C10 C -0.23800 -1.19600 -0.39600 1.000 C11 C 0.53900 -2.14100 0.21700 1.000 C12 C 1.85900 -1.91300 0.60500 1.000 C13 C 2.34100 1.47500 -0.41200 1.000 C14 C 0.34000 2.32600 -1.43400 1.000 C15 C -0.33800 1.14800 -1.26300 1.000 O16 O 4.59200 1.98900 0.22300 1.000 C17 C 4.81900 -0.73800 1.24200 1.000 S18 S -1.89900 -1.55700 -0.85900 1.000 O19 O -2.06000 -1.07400 -2.18600 1.000 O20 O -2.13400 -2.90900 -0.49000 1.000 N21 N -2.88600 -0.63300 0.09700 1.000 C22 C 5.67500 -1.42400 0.17600 1.000 C23 C -3.09400 1.74800 0.60000 1.000 N24 N -3.74600 2.99700 0.18500 1.000 H25 H 2.14700 3.46400 -1.17900 1.000 H26 H -2.65100 -1.95400 1.71600 1.000 H27 H -4.29200 -1.29000 1.51600 1.000 H28 H -3.22600 -0.20600 3.43800 1.000 H29 H -1.81000 0.22600 2.44800 1.000 H30 H -4.66800 1.18000 1.95700 1.000 H31 H -3.37200 2.14800 2.69900 1.000 H32 H -3.00100 0.86700 -1.37200 1.000 H33 H -4.52000 0.55000 -0.49700 1.000 H34 H 0.10900 -3.11300 0.40900 1.000 H35 H 2.42400 -2.69800 1.08400 1.000 H36 H -0.17200 3.15000 -1.90900 1.000 H37 H -1.36000 1.05000 -1.59700 1.000 H38 H 5.41800 0.00600 1.76500 1.000 H39 H 4.46000 -1.48200 1.95300 1.000 H40 H 6.52600 -1.91200 0.65100 1.000 H41 H 5.07600 -2.16900 -0.34800 1.000 H42 H 6.03500 -0.68100 -0.53600 1.000 H43 H -2.01400 1.89300 0.62800 1.000 H44 H -3.53900 3.74500 0.83000 1.000 H45 H -3.48300 3.24800 -0.75600 1.000