# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '01S' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 4.01400 -1.82900 1.01500 1.000 O1 O 4.53300 -3.13900 0.87800 1.000 C2 C 3.27700 -1.28900 0.02400 1.000 O3 O 3.13500 -1.88800 -1.02100 1.000 C4 C 2.62900 0.05800 0.21500 1.000 C5 C 3.54600 1.14800 -0.34300 1.000 C6 C 2.94000 2.52200 -0.05000 1.000 C7 C 2.94200 2.76900 1.46000 1.000 C8 C 3.77100 3.60400 -0.74400 1.000 C9 C 1.31100 0.08900 -0.51500 1.000 O10 O 1.27300 0.39800 -1.68700 1.000 N11 N 0.17300 -0.22800 0.13500 1.000 C12 C -1.09300 -0.30500 -0.59800 1.000 C13 C -2.23800 -0.05900 0.34900 1.000 O14 O -2.01900 0.16000 1.52200 1.000 C15 C -1.23600 -1.69400 -1.22200 1.000 N16 N -3.50700 -0.08200 -0.10600 1.000 C17 C -4.62000 0.15700 0.81500 1.000 C18 C -5.92200 0.07800 0.06000 1.000 O19 O -5.92000 -0.15600 -1.13000 1.000 N20 N -7.08900 0.26600 0.70800 1.000 H21 H 4.18400 -1.32200 1.82400 1.000 H22 H 5.04800 -3.44000 1.64000 1.000 H23 H 2.46000 0.23300 1.27700 1.000 H24 H 4.52600 1.07500 0.12900 1.000 H25 H 3.65100 1.01900 -1.42000 1.000 H26 H 1.91700 2.55500 -0.42300 1.000 H27 H 2.52300 3.75400 1.66700 1.000 H28 H 2.33800 2.00700 1.95300 1.000 H29 H 3.96400 2.72200 1.83500 1.000 H30 H 3.77000 3.42800 -1.82000 1.000 H31 H 3.33900 4.58300 -0.53600 1.000 H32 H 4.79400 3.57100 -0.37200 1.000 H33 H 0.19200 -0.40400 1.08900 1.000 H34 H -1.10300 0.45000 -1.38500 1.000 H35 H -2.17800 -1.75200 -1.76800 1.000 H36 H -0.40800 -1.87200 -1.90800 1.000 H37 H -1.22600 -2.44900 -0.43600 1.000 H38 H -3.68200 -0.25600 -1.04400 1.000 H39 H -4.61000 -0.59700 1.60100 1.000 H40 H -4.51800 1.14700 1.25900 1.000 H41 H -7.09100 0.45300 1.66000 1.000 H42 H -7.92700 0.21500 0.22200 1.000