# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9E4' 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 -5.64000 -0.87700 -0.29400 1.000 C1 C -5.51500 1.24200 -0.30900 1.000 N2 N -6.31500 0.21300 -0.39400 1.000 C3 C -3.54600 -2.92500 0.12200 1.000 C4 C -3.26000 -1.56500 0.01200 1.000 C5 C -1.20600 -3.34000 0.28600 1.000 C6 C 2.97900 -0.49100 0.02800 1.000 C7 C 7.81500 -1.33400 -0.33200 1.000 C8 C -2.50300 -3.82600 0.26300 1.000 N9 N 0.31200 -1.47300 0.21000 1.000 C10 C 1.38300 4.02300 0.23400 1.000 C11 C 3.42100 2.26400 0.05300 1.000 C12 C 5.42300 -0.90800 -0.15400 1.000 C13 C -2.75800 2.31600 -1.30600 1.000 C14 C -3.03000 1.55800 -0.00500 1.000 C15 C -3.19300 2.55600 1.14300 1.000 N16 N -4.25700 0.77000 -0.14600 1.000 C17 C -4.36600 -0.59400 -0.13900 1.000 C18 C -0.98900 -1.97000 0.17700 1.000 N19 N -2.00500 -1.13300 0.04300 1.000 C20 C 0.52600 -0.14300 0.22100 1.000 O21 O -0.41400 0.62300 0.30900 1.000 C22 C 1.90100 0.38400 0.12800 1.000 C23 C 4.27500 0.01500 -0.05300 1.000 C24 C 4.48800 1.39800 -0.04000 1.000 C25 C 2.12600 1.77000 0.14100 1.000 O26 O 1.08000 2.62600 0.23300 1.000 O27 O 5.23800 -2.10900 -0.16500 1.000 N28 N 6.67600 -0.41800 -0.23200 1.000 H29 H -5.80500 2.28200 -0.36100 1.000 H30 H -4.56800 -3.27200 0.10100 1.000 H31 H -0.37100 -4.01700 0.39500 1.000 H32 H 2.81300 -1.55800 0.01800 1.000 H33 H 8.74000 -0.76000 -0.38500 1.000 H34 H 7.83900 -1.98000 0.54600 1.000 H35 H 7.71400 -1.94400 -1.22900 1.000 H36 H -2.69700 -4.88400 0.35400 1.000 H37 H 1.06400 -2.08600 0.22400 1.000 H38 H 1.89500 4.28500 -0.69200 1.000 H39 H 0.45800 4.59500 0.31200 1.000 H40 H 2.02600 4.25400 1.08300 1.000 H41 H 3.59300 3.33000 0.06300 1.000 H42 H -3.59400 2.98200 -1.52000 1.000 H43 H -1.84500 2.90200 -1.20100 1.000 H44 H -2.64100 1.60500 -2.12300 1.000 H45 H -2.19300 0.89200 0.20900 1.000 H46 H -2.28000 3.14200 1.24800 1.000 H47 H -4.03000 3.22200 0.92900 1.000 H48 H -3.38700 2.01600 2.07000 1.000 H49 H 5.49300 1.78800 -0.10800 1.000 H50 H 6.82400 0.54000 -0.22300 1.000