# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9EK' 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 0.47500 -1.33700 0.21900 1.000 C1 C -1.36600 -3.01200 0.06100 1.000 C2 C -3.66800 -2.35400 -0.05800 1.000 C3 C -3.25100 -0.94500 0.00800 1.000 C4 C -4.45200 -0.22200 -0.04400 1.000 C5 C -4.60300 1.23600 -0.01100 1.000 C6 C -7.10400 1.04800 -0.02700 1.000 C7 C -6.12700 3.22200 0.18300 1.000 C8 C 2.33700 0.01800 -0.38600 1.000 C9 C 3.21800 -0.94400 0.08800 1.000 C10 C 4.17900 1.48100 -0.85300 1.000 C11 C 0.04300 0.70600 -1.03800 1.000 C12 C 8.25000 2.26700 0.30600 1.000 C13 C 8.68200 -0.08000 0.09600 1.000 C14 C 7.18100 -0.37500 0.16600 1.000 N15 N 0.95900 -0.23300 -0.38400 1.000 O16 O 1.22200 -2.06300 0.84500 1.000 C17 C -0.96100 -1.66100 0.12400 1.000 C18 C -1.89100 -0.63500 0.09800 1.000 C19 C -2.67900 -3.35800 -0.02800 1.000 O20 O -0.42300 -3.98800 0.08300 1.000 N21 N -5.44700 -1.14300 -0.13100 1.000 N22 N -4.98800 -2.34300 -0.13700 1.000 N23 N -5.83300 1.78400 0.04300 1.000 C24 C -8.24100 2.08300 0.10200 1.000 C25 C -7.54500 3.27900 0.80500 1.000 O26 O -3.61900 1.95000 -0.03300 1.000 C27 C 5.06000 0.51900 -0.37900 1.000 C28 C 4.57600 -0.69500 0.09200 1.000 C29 C 2.82100 1.23200 -0.85700 1.000 N30 N 6.43600 0.77100 -0.37500 1.000 C31 C 6.74500 1.99600 0.37800 1.000 O32 O 8.95800 1.13000 0.80700 1.000 H33 H -7.18000 0.53100 -0.98400 1.000 H34 H -7.16100 0.32800 0.78900 1.000 H35 H -5.40300 3.69500 0.84600 1.000 H36 H -6.12000 3.70800 -0.79300 1.000 H37 H 2.84100 -1.88800 0.45400 1.000 H38 H 4.55500 2.42500 -1.22000 1.000 H39 H -0.20300 1.51300 -0.34900 1.000 H40 H 0.51900 1.11800 -1.92700 1.000 H41 H -0.87000 0.18200 -1.32400 1.000 H42 H 8.53800 2.44800 -0.72900 1.000 H43 H 8.49200 3.14100 0.91000 1.000 H44 H 9.23600 -0.90300 0.54800 1.000 H45 H 8.98300 0.03300 -0.94500 1.000 H46 H 6.95700 -1.26500 -0.42300 1.000 H47 H 6.89100 -0.54200 1.20300 1.000 H48 H -1.56900 0.39500 0.14700 1.000 H49 H -2.96200 -4.39900 -0.07500 1.000 H50 H -0.09900 -4.24200 -0.79100 1.000 H51 H -6.39100 -0.92200 -0.18100 1.000 H52 H -8.61000 2.37600 -0.88100 1.000 H53 H -9.05200 1.69100 0.71600 1.000 H54 H -7.50400 3.12800 1.88400 1.000 H55 H -8.04100 4.21800 0.56200 1.000 H56 H 5.26100 -1.44400 0.46100 1.000 H57 H 2.13500 1.98000 -1.22500 1.000 H58 H 6.44800 1.86700 1.41900 1.000 H59 H 6.20300 2.83600 -0.05500 1.000