# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BB' 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 3.38300 0.63300 1.21900 1.000 O1 O 0.82900 -0.28000 2.27700 1.000 C2 C -0.34300 2.91900 -1.01300 1.000 C3 C 0.41000 3.71600 -1.85400 1.000 C4 C 1.79200 3.65100 -1.82600 1.000 C5 C 2.43100 2.78900 -0.95500 1.000 C6 C 1.68400 1.98600 -0.10700 1.000 C7 C 0.28900 2.05500 -0.13200 1.000 N8 N -0.17600 1.14900 0.81700 1.000 C9 C 0.88700 0.56300 1.40100 1.000 N10 N 2.02300 1.04000 0.85800 1.000 C11 C 3.81200 -0.54600 0.34300 1.000 C12 C 5.23200 -0.97100 0.72100 1.000 C13 C -1.58200 0.87900 1.12800 1.000 C14 C -2.11100 -0.17400 0.18900 1.000 C15 C -3.51300 -0.55600 0.15200 1.000 C16 C -3.75600 -1.55000 -0.80000 1.000 S17 S -2.25400 -1.97400 -1.61000 1.000 C18 C -1.33900 -0.81400 -0.66700 1.000 C19 C -4.59400 -0.07000 0.92000 1.000 C20 C -5.84900 -0.56300 0.73400 1.000 C21 C -6.08700 -1.55000 -0.21200 1.000 C22 C -5.05400 -2.04100 -0.97500 1.000 C23 C -4.35600 1.00100 1.95200 1.000 C24 C 5.65500 -2.13300 -0.14200 1.000 O25 O 4.89800 -2.57500 -0.97300 1.000 O26 O 6.87200 -2.67600 0.01300 1.000 H27 H 4.06500 1.46800 1.06400 1.000 H28 H 3.40600 0.33400 2.26700 1.000 H29 H -1.42100 2.97200 -1.03900 1.000 H30 H -0.08300 4.39200 -2.53700 1.000 H31 H 2.37300 4.27600 -2.48700 1.000 H32 H 3.51000 2.74100 -0.93600 1.000 H33 H 3.12900 -1.38200 0.49900 1.000 H34 H 3.78800 -0.24800 -0.70500 1.000 H35 H 5.91500 -0.13600 0.56500 1.000 H36 H 5.25600 -1.27000 1.76900 1.000 H37 H -1.66500 0.52400 2.15500 1.000 H38 H -2.16200 1.79400 1.01200 1.000 H39 H -0.27700 -0.64700 -0.77100 1.000 H40 H -6.66700 -0.18200 1.32800 1.000 H41 H -7.08800 -1.93300 -0.35000 1.000 H42 H -5.24400 -2.80900 -1.70900 1.000 H43 H -4.37100 1.97900 1.47200 1.000 H44 H -5.13800 0.95600 2.71000 1.000 H45 H -3.38500 0.84300 2.42300 1.000 H46 H 7.09800 -3.41900 -0.56300 1.000