# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '057' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 2.31000 -1.54000 0.08100 1.000 C1 C 2.69400 -0.38700 0.04500 1.000 N2 N 4.01400 -0.11700 0.03600 1.000 C3 C 4.98700 -1.21200 0.06900 1.000 C4 C 4.78700 -2.03400 1.34400 1.000 C5 C 4.78500 -2.11000 -1.15300 1.000 C6 C 6.40400 -0.63600 0.05000 1.000 O7 O 7.35300 -1.70400 0.08200 1.000 C8 C 1.71400 0.71600 0.00700 1.000 C9 C 2.15700 2.04500 -0.03400 1.000 C10 C 1.26300 3.07500 -0.07100 1.000 C11 C -0.10600 2.81600 -0.06800 1.000 N12 N -1.21500 3.62900 -0.09800 1.000 C13 C -1.17900 5.09200 -0.14500 1.000 C14 C -2.35400 2.87700 -0.07800 1.000 C15 C 0.35000 0.43600 0.00500 1.000 C16 C -0.56200 1.48500 -0.02700 1.000 C17 C -2.03400 1.55900 -0.03500 1.000 C18 C -2.97500 0.42100 -0.00200 1.000 N19 N -2.81500 -0.76200 -0.68600 1.000 C20 C -4.12900 0.38000 0.71200 1.000 C21 C -4.74000 -0.92100 0.45300 1.000 C22 C -5.91200 -1.54900 0.88600 1.000 C23 C -6.17600 -2.82300 0.42000 1.000 C24 C -3.87600 -1.60000 -0.43000 1.000 N25 N -4.18200 -2.82300 -0.84000 1.000 C26 C -5.28400 -3.42900 -0.45000 1.000 H27 H 4.32100 0.80300 0.00800 1.000 H28 H 3.77700 -2.44400 1.35700 1.000 H29 H 5.51000 -2.84900 1.36800 1.000 H30 H 4.93100 -1.39400 2.21500 1.000 H31 H 4.92700 -1.52400 -2.06200 1.000 H32 H 5.50800 -2.92500 -1.12900 1.000 H33 H 3.77500 -2.52000 -1.14000 1.000 H34 H 6.54700 -0.05100 -0.85800 1.000 H35 H 6.54800 0.00400 0.92100 1.000 H36 H 8.27400 -1.41300 0.07200 1.000 H37 H 3.21600 2.25700 -0.03700 1.000 H38 H 1.61800 4.09400 -0.10200 1.000 H39 H -1.16600 5.42300 -1.18300 1.000 H40 H -2.06100 5.49400 0.35300 1.000 H41 H -0.28200 5.45000 0.36200 1.000 H42 H -3.36000 3.27200 -0.09500 1.000 H43 H 0.00400 -0.58600 0.03200 1.000 H44 H -2.06500 -0.97500 -1.26400 1.000 H45 H -4.51900 1.16000 1.35000 1.000 H46 H -6.59000 -1.05400 1.56500 1.000 H47 H -7.07100 -3.34300 0.73100 1.000 H48 H -5.49400 -4.42500 -0.81200 1.000