# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94A' 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 4.30400 -0.31500 0.69300 1.000 C1 C 3.95200 0.23700 -0.33100 1.000 N2 N 4.64800 1.29100 -0.80100 1.000 C3 C 5.82800 1.77100 -0.07800 1.000 C4 C 6.76300 2.49400 -1.05000 1.000 C5 C 5.39200 2.73800 1.02500 1.000 O6 O 2.87100 -0.20800 -0.99800 1.000 C7 C 2.17400 -1.35100 -0.43600 1.000 C8 C 1.08700 -0.87700 0.49200 1.000 N9 N 1.12900 0.08100 1.41300 1.000 N10 N -0.02700 0.16000 1.97900 1.000 N11 N -0.83400 -0.71000 1.47000 1.000 C12 C -0.16700 -1.39100 0.52300 1.000 C13 C -0.64600 -2.51000 -0.36300 1.000 C14 C -1.45800 -3.50900 0.46400 1.000 O15 O -1.45900 -1.98000 -1.41200 1.000 C16 C 0.58000 -3.21000 -0.96200 1.000 C17 C 1.52400 -2.16500 -1.56300 1.000 C18 C -2.23200 -0.91900 1.85700 1.000 C19 C -3.12600 -0.07400 0.98700 1.000 C20 C -3.61900 -0.58600 -0.19900 1.000 C21 C -4.43800 0.18800 -0.99800 1.000 C22 C -4.76700 1.47800 -0.61000 1.000 O23 O -5.57300 2.24100 -1.39500 1.000 C24 C -5.86900 3.56000 -0.93300 1.000 C25 C -4.27100 1.99000 0.58000 1.000 C26 C -3.45600 1.21100 1.37900 1.000 H27 H 4.36800 1.73100 -1.61800 1.000 H28 H 6.35100 0.92500 0.36700 1.000 H29 H 6.24000 3.34100 -1.49500 1.000 H30 H 7.64100 2.85200 -0.51200 1.000 H31 H 7.07400 1.80500 -1.83500 1.000 H32 H 6.27000 3.09600 1.56300 1.000 H33 H 4.86900 3.58500 0.58000 1.000 H34 H 4.72600 2.22300 1.71700 1.000 H35 H 2.87800 -1.97800 0.11100 1.000 H36 H -2.45200 -3.10300 0.65200 1.000 H37 H -1.54700 -4.44700 -0.08500 1.000 H38 H -0.95400 -3.69000 1.41300 1.000 H39 H -1.80100 -2.64800 -2.02000 1.000 H40 H 1.10100 -3.76300 -0.18000 1.000 H41 H 0.25900 -3.90100 -1.74200 1.000 H42 H 0.96000 -1.49700 -2.21400 1.000 H43 H 2.29900 -2.66700 -2.14200 1.000 H44 H -2.49000 -1.97000 1.73100 1.000 H45 H -2.36600 -0.63500 2.90100 1.000 H46 H -3.36300 -1.59100 -0.50000 1.000 H47 H -4.82300 -0.21300 -1.92500 1.000 H48 H -4.94200 4.12500 -0.82900 1.000 H49 H -6.52000 4.05900 -1.65100 1.000 H50 H -6.37000 3.50300 0.03400 1.000 H51 H -4.52800 2.99300 0.88600 1.000 H52 H -3.07000 1.60800 2.30600 1.000