# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '05S' 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 -2.95000 3.30700 0.28500 1.000 C1 C -2.38000 1.91700 0.15900 1.000 C2 C -1.07900 1.55400 0.29000 1.000 N3 N -0.95500 0.20900 0.06900 1.000 C4 C -2.18300 -0.33900 -0.05800 1.000 C5 C -3.11400 0.69400 -0.09100 1.000 C6 C -4.53800 0.46800 -0.34600 1.000 O7 O -5.34300 1.37500 -0.34100 1.000 C8 C -4.96200 -0.96000 -0.62000 1.000 C9 C -4.10300 -1.91600 0.20300 1.000 C10 C -2.61800 -1.77800 -0.13700 1.000 C11 C -4.54500 -3.35400 -0.09700 1.000 C12 C -4.31700 -1.64300 1.69400 1.000 C13 C 0.23300 -0.52900 -0.04700 1.000 C14 C 0.17700 -1.90200 -0.29400 1.000 C15 C 1.30700 -2.66700 -0.33200 1.000 C16 C 2.56500 -2.08000 -0.16000 1.000 C17 C 2.64900 -0.69100 0.01000 1.000 C18 C 1.48300 0.06600 0.02900 1.000 N19 N 3.88900 -0.06900 0.15700 1.000 C20 C 3.95100 1.32600 0.61800 1.000 C21 C 3.67400 2.27600 -0.54500 1.000 N22 N 2.62900 3.25400 -0.11100 1.000 C23 C 1.57400 3.23600 -1.16700 1.000 C24 C 0.22000 3.50700 -0.52000 1.000 C25 C -0.02700 2.56900 0.65900 1.000 C26 C 5.34700 1.60700 1.18100 1.000 C27 C 3.76800 -2.92800 -0.17200 1.000 O28 O 4.86600 -2.42800 -0.02300 1.000 N29 N 3.65300 -4.26000 -0.34800 1.000 H30 H -2.94400 3.79200 -0.69100 1.000 H31 H -3.97300 3.24900 0.65600 1.000 H32 H -2.34400 3.88600 0.98200 1.000 H33 H -6.01000 -1.08600 -0.35000 1.000 H34 H -4.83200 -1.17800 -1.68000 1.000 H35 H -2.43900 -2.16300 -1.14200 1.000 H36 H -2.04600 -2.36800 0.59000 1.000 H37 H -4.41500 -3.56000 -1.16000 1.000 H38 H -3.93900 -4.05000 0.48400 1.000 H39 H -5.59500 -3.47500 0.17000 1.000 H40 H -5.36700 -1.79300 1.94300 1.000 H41 H -3.70300 -2.32600 2.28000 1.000 H42 H -4.03300 -0.61500 1.91900 1.000 H43 H -0.75400 -2.39500 -0.50900 1.000 H44 H 1.22800 -3.73300 -0.49400 1.000 H45 H 1.58300 1.13700 0.03000 1.000 H46 H 4.71800 -0.53400 -0.04900 1.000 H47 H 3.21100 1.48200 1.40300 1.000 H48 H 4.57300 2.82800 -0.80000 1.000 H49 H 3.30300 1.72500 -1.40100 1.000 H50 H 3.11300 4.18500 -0.30000 1.000 H51 H 1.80600 4.01800 -1.88600 1.000 H52 H 1.57400 2.26500 -1.64900 1.000 H53 H 0.18500 4.54200 -0.17100 1.000 H54 H -0.56400 3.36400 -1.26800 1.000 H55 H -0.42700 3.17700 1.49200 1.000 H56 H 0.87600 2.11800 1.02400 1.000 H57 H 6.09200 1.44500 0.40200 1.000 H58 H 5.39900 2.64000 1.52400 1.000 H59 H 5.54400 0.93600 2.01700 1.000 H60 H 2.77700 -4.65900 -0.46600 1.000 H61 H 4.44500 -4.81800 -0.35600 1.000