# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9DH' 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 -1.84300 -0.52400 1.79600 1.000 C1 C -3.10700 -0.09800 1.43600 1.000 C2 C -3.46700 -0.04900 0.10100 1.000 S3 S -5.08000 0.49500 -0.35500 1.000 O4 O -5.34500 -0.06400 -1.63400 1.000 O5 O -5.91100 0.27600 0.77700 1.000 N6 N -5.00200 2.13500 -0.56800 1.000 C7 C -2.56300 -0.42400 -0.87600 1.000 C8 C -1.29800 -0.85000 -0.52200 1.000 C9 C -0.93200 -0.89700 0.81700 1.000 N10 N 0.34900 -1.32800 1.17900 1.000 C11 C 1.40000 -1.06400 0.37800 1.000 O12 O 1.25400 -0.37100 -0.60700 1.000 C13 C 2.75800 -1.62900 0.70700 1.000 N14 N 3.72400 -1.20100 -0.30800 1.000 C15 C 3.94300 -2.02000 -1.50300 1.000 C16 C 4.43600 -0.01100 -0.13700 1.000 C17 C 4.23400 0.76300 0.99800 1.000 C18 C 4.94000 1.93900 1.16500 1.000 C19 C 5.84700 2.34500 0.20300 1.000 C20 C 6.05000 1.57600 -0.92800 1.000 C21 C 5.35200 0.39600 -1.09800 1.000 H22 H -1.56300 -0.56200 2.83900 1.000 H23 H -3.81500 0.19600 2.19600 1.000 H24 H -5.59200 2.57000 -1.20400 1.000 H25 H -4.36700 2.66100 -0.05700 1.000 H26 H -2.84700 -0.38400 -1.91700 1.000 H27 H -0.59300 -1.14400 -1.28500 1.000 H28 H 0.48000 -1.81700 2.00700 1.000 H29 H 3.07500 -1.26800 1.68500 1.000 H30 H 2.70500 -2.71800 0.72100 1.000 H31 H 3.25400 -1.70800 -2.28900 1.000 H32 H 4.96900 -1.89300 -1.84800 1.000 H33 H 3.76800 -3.06800 -1.26200 1.000 H34 H 3.52500 0.44700 1.74900 1.000 H35 H 4.78300 2.54200 2.04700 1.000 H36 H 6.39700 3.26400 0.33600 1.000 H37 H 6.75900 1.89500 -1.67700 1.000 H38 H 5.51500 -0.20600 -1.98000 1.000