# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1H' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -10.18600 2.32500 0.89800 1.000 N1 N -10.38100 1.65400 -0.10000 1.000 O2 O -2.51600 -1.99300 -1.22500 1.000 O3 O 3.45000 -3.08100 1.13300 1.000 O4 O -9.33200 0.87500 -0.64500 1.000 C5 C -8.10200 0.97000 0.07700 1.000 C6 C -7.04500 0.09200 -0.59800 1.000 C7 C -5.72900 0.19500 0.17500 1.000 C8 C -4.67300 -0.68300 -0.50000 1.000 O9 O -3.42300 -0.58600 0.23300 1.000 C10 C -2.38300 -1.30400 -0.23300 1.000 C11 C -1.08000 -1.25500 0.46100 1.000 C12 C -0.00000 -1.99800 -0.01900 1.000 C13 C 1.21400 -1.94600 0.63400 1.000 S14 S 2.57800 -2.88300 0.02900 1.000 N15 N 3.39400 -1.92200 -1.04500 1.000 C16 C 4.02200 -0.76700 -0.60400 1.000 N17 N 4.04600 -0.32500 0.62100 1.000 N18 N 4.66900 0.74900 0.84300 1.000 O19 O 7.47600 2.48600 0.30600 1.000 C20 C -0.92200 -0.46000 1.59900 1.000 C21 C 0.29800 -0.41800 2.24200 1.000 C22 C 1.36200 -1.16100 1.76400 1.000 O23 O 2.02700 -3.95200 -0.72700 1.000 S24 S 4.93700 0.36600 -1.60000 1.000 C25 C 5.23900 1.33700 -0.15800 1.000 S26 S 6.15800 2.83900 -0.09100 1.000 N27 N 5.52600 3.74700 1.14100 1.000 O28 O 5.87000 3.53900 -1.29400 1.000 O29 O -11.47900 1.65000 -0.62600 1.000 H30 H -7.76300 2.00700 0.08200 1.000 H31 H -8.25400 0.63300 1.10200 1.000 H32 H -7.38400 -0.94400 -0.60300 1.000 H33 H -6.89300 0.43000 -1.62300 1.000 H34 H -5.39000 1.23100 0.18000 1.000 H35 H -5.88100 -0.14300 1.20000 1.000 H36 H -5.01100 -1.71900 -0.50500 1.000 H37 H -4.52000 -0.34600 -1.52500 1.000 H38 H -0.11500 -2.61100 -0.90000 1.000 H39 H 3.43300 -2.16800 -1.98300 1.000 H40 H -1.75100 0.12100 1.97300 1.000 H41 H 0.42200 0.19600 3.12200 1.000 H42 H 2.31500 -1.12500 2.27200 1.000 H43 H 4.80100 4.36700 0.96400 1.000 H44 H 5.88000 3.65900 2.03900 1.000