# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0UJ' 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 1.67500 0.69600 0.82300 1.000 C1 C -1.10200 -2.39300 0.48800 1.000 C2 C 0.19900 0.92400 0.62000 1.000 C3 C 1.10800 -2.13500 1.40900 1.000 C4 C -0.33500 -1.34400 -0.34900 1.000 C5 C 1.17000 -1.65000 -0.08200 1.000 C6 C 0.01300 -3.23500 1.18100 1.000 N7 N 2.38400 0.93600 -0.43600 1.000 C8 C 4.68900 -0.43100 0.15700 1.000 S9 S 4.02600 1.15100 -0.43300 1.000 N10 N -0.66800 0.01000 0.10100 1.000 C11 C 1.42800 -3.00300 -0.81400 1.000 C12 C 0.66200 -4.05200 0.02300 1.000 C13 C -1.91100 0.59100 0.07900 1.000 C14 C -3.19300 0.19400 -0.32400 1.000 C15 C -3.75700 -1.02600 -0.89900 1.000 C16 C -5.07000 -0.80600 -1.07300 1.000 N17 N -5.38800 0.45700 -0.65400 1.000 C18 C -4.26200 1.09600 -0.18900 1.000 N19 N -4.05400 2.31100 0.31400 1.000 C20 C -2.86800 2.71900 0.70200 1.000 C21 C -1.74900 1.88500 0.60400 1.000 N22 N -0.43500 2.02000 0.91800 1.000 O23 O 4.35600 1.35000 -1.80100 1.000 O24 O 4.24400 2.17300 0.52900 1.000 H25 H 2.04600 1.38100 1.58600 1.000 H26 H 1.84300 -0.33200 1.14500 1.000 H27 H -1.72600 -1.90200 1.23500 1.000 H28 H -1.70900 -3.02600 -0.15900 1.000 H29 H 2.05500 -2.56200 1.74000 1.000 H30 H 0.76500 -1.34800 2.08100 1.000 H31 H -0.56600 -1.46000 -1.40800 1.000 H32 H 1.86800 -0.84500 -0.31000 1.000 H33 H -0.29800 -3.81000 2.05400 1.000 H34 H 1.89200 0.96900 -1.27100 1.000 H35 H 4.45800 -1.21400 -0.56600 1.000 H36 H 5.76900 -0.35200 0.27400 1.000 H37 H 4.23600 -0.67900 1.11700 1.000 H38 H 1.03500 -2.96600 -1.83000 1.000 H39 H 2.49400 -3.23000 -0.82800 1.000 H40 H 1.35100 -4.79700 0.42200 1.000 H41 H -0.10800 -4.53200 -0.58200 1.000 H42 H -3.21900 -1.93200 -1.13900 1.000 H43 H -5.77000 -1.51900 -1.48200 1.000 H44 H -6.27600 0.84500 -0.68100 1.000 H45 H -2.75400 3.71500 1.10400 1.000