# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0S5' 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 7.52100 1.50200 0.28000 1.000 C1 C 6.83800 0.55800 1.02500 1.000 C2 C 6.93500 2.06500 -0.84000 1.000 C3 C 5.56800 0.16800 0.65400 1.000 C4 C 5.66400 1.68800 -1.22100 1.000 C5 C 4.97300 0.72800 -0.47900 1.000 C6 C -2.96000 1.64900 2.26200 1.000 C7 C 3.61100 0.31900 -0.88000 1.000 C8 C 1.70400 -0.98100 -0.52800 1.000 C9 C -1.12200 -0.62800 0.07700 1.000 C10 C -6.49400 1.86200 -1.75500 1.000 C11 C -6.48600 0.38000 -2.16800 1.000 C12 C -0.03400 -4.20200 0.19100 1.000 C13 C 1.22100 -3.43200 -0.29800 1.000 C14 C -5.11200 2.15400 -1.13300 1.000 C15 C -5.10000 -0.17800 -1.78300 1.000 C16 C -1.14700 -3.13600 0.10800 1.000 C17 C 0.96100 -2.01700 0.27600 1.000 C18 C -4.60900 0.76800 -0.65800 1.000 C19 C -3.08300 0.74900 -0.56200 1.000 C20 C -3.15100 -0.65800 1.50200 1.000 C21 C -2.62800 -0.57000 0.06700 1.000 N22 N -0.49400 -1.81900 0.14700 1.000 N23 N 2.94600 -0.60800 -0.16200 1.000 N24 N -2.51400 0.37900 2.31800 1.000 O25 O -2.43300 2.50700 2.93800 1.000 O26 O 3.09000 0.81800 -1.85800 1.000 O27 O 1.18500 -0.48300 -1.50300 1.000 O28 O -0.47500 0.39600 0.02100 1.000 O29 O -1.43100 0.04600 3.16700 1.000 H30 H 8.51500 1.80400 0.57500 1.000 H31 H 7.30000 0.12600 1.90100 1.000 H32 H 7.47400 2.80200 -1.41800 1.000 H33 H 5.03600 -0.56900 1.23600 1.000 H34 H 5.20700 2.12800 -2.09500 1.000 H35 H -3.78700 1.90300 1.61500 1.000 H36 H -6.65000 2.49300 -2.63000 1.000 H37 H -7.28000 2.04100 -1.02100 1.000 H38 H -7.26700 -0.16100 -1.63400 1.000 H39 H -6.63900 0.29100 -3.24300 1.000 H40 H -0.25400 -5.04000 -0.47000 1.000 H41 H 2.13100 -3.86300 0.12100 1.000 H42 H 1.26700 -3.41000 -1.38700 1.000 H43 H -4.43700 2.56900 -1.88100 1.000 H44 H -5.21000 2.83600 -0.28900 1.000 H45 H -5.18900 -1.19900 -1.41100 1.000 H46 H -4.42400 -0.14100 -2.63700 1.000 H47 H -1.69900 -3.24800 -0.82500 1.000 H48 H 1.26100 -1.97100 1.32200 1.000 H49 H -5.06100 0.49900 0.29700 1.000 H50 H -2.65400 0.84200 -1.56000 1.000 H51 H -2.74700 1.58100 0.05700 1.000 H52 H -4.23100 -0.51100 1.50500 1.000 H53 H -2.91700 -1.64000 1.91400 1.000 H54 H -3.02000 -1.40400 -0.51500 1.000 H55 H 3.36200 -1.00600 0.61900 1.000 H56 H -1.07700 0.79500 3.66500 1.000 H57 H 0.09500 -4.54500 1.21700 1.000 H58 H -1.82500 -3.24100 0.95500 1.000