# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0S1' 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 2.85500 -0.88400 0.76300 1.000 O1 O 2.91800 -2.31200 0.73400 1.000 C2 C 2.33200 0.78200 -0.43600 1.000 C3 C 3.50300 -0.21400 -0.46000 1.000 C4 C 1.51600 -0.31600 0.26600 1.000 H5 H 3.18300 -0.46600 1.71500 1.000 H6 H 3.77400 -2.67300 1.00200 1.000 C7 C 2.58800 2.01000 0.44000 1.000 H8 H 1.95700 1.03800 -1.42700 1.000 H9 H 4.46900 0.24400 -0.24600 1.000 N10 N 0.80800 -1.20500 -0.65900 1.000 H11 H 0.87700 0.05900 1.06600 1.000 S12 S -0.64300 -1.87100 -0.22100 1.000 C13 C -1.79400 -0.54800 -0.04900 1.000 O14 O -1.08100 -2.64300 -1.33100 1.000 O15 O -0.45900 -2.41400 1.07900 1.000 C16 C -2.54300 -0.13900 -1.13700 1.000 C17 C -3.44600 0.89900 -1.00200 1.000 C18 C -3.60000 1.52800 0.22000 1.000 C19 C -2.85100 1.11800 1.30700 1.000 C20 C -1.95100 0.07700 1.17300 1.000 C21 C -4.58400 2.66000 0.36600 1.000 H22 H 1.19000 -1.40300 -1.52800 1.000 H23 H -2.42300 -0.63000 -2.09100 1.000 H24 H -4.03100 1.21900 -1.85100 1.000 H25 H -2.97100 1.60900 2.26100 1.000 H26 H -1.36600 -0.24300 2.02300 1.000 H27 H -5.55600 2.26100 0.65400 1.000 H28 H -4.23200 3.35000 1.13300 1.000 H29 H -4.67400 3.18800 -0.58400 1.000 C30 C 3.34900 3.04200 -0.35300 1.000 C31 C 2.87600 4.25900 -0.46700 1.000 H32 H 3.52100 -0.84700 -1.34700 1.000 H33 H 1.63600 2.43000 0.76400 1.000 H34 H 3.17300 1.71800 1.31200 1.000 H35 H 4.28300 2.77900 -0.82600 1.000 H36 H 1.94200 4.52200 0.00700 1.000 H37 H 3.42100 4.99800 -1.03500 1.000