# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '07S' 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 10.72800 -0.91400 -0.18800 1.000 C1 C 9.94100 -1.95000 0.28400 1.000 C2 C 8.56900 -1.78400 0.34500 1.000 C3 C 8.02800 -0.56300 -0.07700 1.000 C4 C 8.89100 0.43200 -0.54000 1.000 N5 N 10.19200 0.22800 -0.57400 1.000 C6 C 6.56900 -0.33400 -0.04000 1.000 S7 S 5.35400 -1.48300 0.51400 1.000 C8 C 4.11600 -0.35300 0.18100 1.000 N9 N 4.62300 0.74500 -0.29200 1.000 C10 C 5.93300 0.79300 -0.41800 1.000 N11 N 2.76400 -0.57600 0.38500 1.000 C12 C 1.85000 0.45400 0.18000 1.000 N13 N 2.26500 1.61000 -0.31600 1.000 C14 C 1.43400 2.61500 -0.52800 1.000 C15 C 0.09300 2.49800 -0.23800 1.000 C16 C -0.39000 1.29600 0.28500 1.000 C17 C 0.51100 0.25600 0.49000 1.000 N18 N -1.73900 1.14200 0.58900 1.000 C19 C -2.49200 2.36600 0.28400 1.000 C20 C -3.95200 2.18400 0.70500 1.000 N21 N -4.52200 1.02800 -0.00200 1.000 C22 C -3.76900 -0.19600 0.30300 1.000 C23 C -2.30900 -0.01300 -0.11800 1.000 C24 C -5.94600 0.86500 0.31900 1.000 C25 C -6.55300 -0.16300 -0.60000 1.000 N26 N -7.85900 -0.47900 -0.48900 1.000 C27 C -8.47400 -1.48000 -1.37500 1.000 C28 C -9.23000 -2.49300 -0.50800 1.000 O29 O -10.11500 -1.79400 0.37000 1.000 C30 C -9.45500 -0.92700 1.29700 1.000 C31 C -8.71000 0.16200 0.52600 1.000 O32 O -5.86700 -0.70600 -1.44000 1.000 H33 H 11.79900 -1.04100 -0.23600 1.000 H34 H 10.39300 -2.87800 0.60100 1.000 H35 H 7.93100 -2.57600 0.70800 1.000 H36 H 8.48900 1.37800 -0.86900 1.000 H37 H 6.45300 1.65900 -0.80100 1.000 H38 H 2.45400 -1.44900 0.67100 1.000 H39 H 1.81300 3.54200 -0.93300 1.000 H40 H -0.57800 3.32600 -0.41500 1.000 H41 H 0.17600 -0.68800 0.89400 1.000 H42 H -2.05800 3.20500 0.82900 1.000 H43 H -2.44400 2.56500 -0.78700 1.000 H44 H -4.00100 2.01200 1.78100 1.000 H45 H -4.51800 3.08000 0.45400 1.000 H46 H -3.81700 -0.39500 1.37400 1.000 H47 H -4.20300 -1.03500 -0.24200 1.000 H48 H -2.26000 0.15800 -1.19300 1.000 H49 H -1.74300 -0.91000 0.13400 1.000 H50 H -6.05000 0.53500 1.35200 1.000 H51 H -6.45900 1.81800 0.18800 1.000 H52 H -9.16900 -0.98900 -2.05600 1.000 H53 H -7.69900 -1.99100 -1.94600 1.000 H54 H -9.80600 -3.16200 -1.14800 1.000 H55 H -8.51800 -3.07300 0.07800 1.000 H56 H -10.19300 -0.46900 1.95500 1.000 H57 H -8.74500 -1.50200 1.89000 1.000 H58 H -8.09000 0.73800 1.21400 1.000 H59 H -9.42900 0.82100 0.03900 1.000