# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9UB' 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 4.02900 0.10300 -0.98000 1.000 C1 C 2.77500 0.06900 -0.10400 1.000 C2 C -3.34600 2.14500 1.64300 1.000 C3 C -5.30100 0.89400 2.40000 1.000 C4 C -5.99700 1.33800 1.13900 1.000 C5 C -5.78900 0.28900 0.04500 1.000 C6 C -6.48500 0.73300 -1.21600 1.000 C7 C -6.49400 1.33700 -3.58100 1.000 C8 C -6.02200 0.01500 3.38900 1.000 C9 C -5.79400 0.92700 -2.31200 1.000 C10 C -4.29900 0.73900 -2.30300 1.000 C11 C -2.46800 -0.89200 -2.67900 1.000 C12 C -0.43400 -1.93800 -1.82700 1.000 C13 C -1.93200 -1.84300 -1.95500 1.000 C14 C -2.81400 -2.84300 -1.25200 1.000 C15 C -3.04300 -2.39200 0.19200 1.000 C16 C -3.92500 -3.39200 0.89600 1.000 C17 C -2.31000 -3.39300 2.72800 1.000 C18 C -3.54300 -3.91400 2.03500 1.000 C19 C -4.33700 -5.03500 2.65400 1.000 C20 C -3.96400 -0.70400 -2.68800 1.000 C21 C -4.06900 1.27300 2.63600 1.000 O22 O -2.02400 1.64100 1.44000 1.000 P23 P -0.96700 2.33000 0.44000 1.000 O24 O -1.56600 2.44400 -0.90900 1.000 O25 O -0.58900 3.79600 0.98600 1.000 O26 O 0.36400 1.42700 0.36100 1.000 P27 P 1.62300 1.37600 -0.64100 1.000 O28 O 1.10900 1.05800 -2.13300 1.000 O29 O 2.31800 2.68300 -0.62700 1.000 O30 O 4.72600 1.33200 -0.76700 1.000 C31 C 5.12700 1.54800 0.58800 1.000 C32 C 5.83500 2.90000 0.70100 1.000 O33 O 4.90900 3.94800 0.40900 1.000 C34 C 6.08300 0.43300 1.02000 1.000 O35 O 6.44000 0.61500 2.39100 1.000 C36 C 5.38800 -0.92100 0.84700 1.000 O37 O 6.29700 -1.97100 1.18000 1.000 C38 C 4.94000 -1.07000 -0.61100 1.000 N39 N 4.20800 -2.32900 -0.77200 1.000 C40 C 4.88000 -3.47400 -1.00300 1.000 C41 C 4.12700 -4.76900 -1.16900 1.000 O42 O 6.09000 -3.46300 -1.07800 1.000 H43 H 3.74200 0.02500 -2.02800 1.000 H44 H 2.29100 -0.90300 -0.19900 1.000 H45 H 3.05400 0.23600 0.93700 1.000 H46 H -3.88500 2.14300 0.69600 1.000 H47 H -3.29100 3.16400 2.02800 1.000 H48 H -7.06300 1.45300 1.33400 1.000 H49 H -5.58200 2.29200 0.81200 1.000 H50 H -4.72300 0.17400 -0.15000 1.000 H51 H -6.20400 -0.66400 0.37200 1.000 H52 H -7.55300 0.89100 -1.21600 1.000 H53 H -6.54000 2.42500 -3.63500 1.000 H54 H -5.94400 0.95400 -4.44000 1.000 H55 H -7.50500 0.93000 -3.58700 1.000 H56 H -5.84600 -1.03200 3.14000 1.000 H57 H -5.65100 0.21700 4.39300 1.000 H58 H -7.09100 0.22300 3.34800 1.000 H59 H -3.84200 1.42100 -3.02000 1.000 H60 H -3.91200 0.94800 -1.30600 1.000 H61 H -1.83900 -0.24200 -3.26900 1.000 H62 H -0.10400 -1.35100 -0.97000 1.000 H63 H -0.14600 -2.98000 -1.68600 1.000 H64 H 0.03400 -1.55300 -2.73300 1.000 H65 H -3.77100 -2.90900 -1.76800 1.000 H66 H -2.33000 -3.81900 -1.25500 1.000 H67 H -2.08600 -2.32600 0.70900 1.000 H68 H -3.52700 -1.41600 0.19600 1.000 H69 H -4.87100 -3.67800 0.46100 1.000 H70 H -1.88900 -2.57000 2.14900 1.000 H71 H -2.57500 -3.03800 3.72400 1.000 H72 H -1.57400 -4.19300 2.81000 1.000 H73 H -3.95500 -5.99100 2.29700 1.000 H74 H -4.24600 -4.99000 3.73900 1.000 H75 H -5.38600 -4.93600 2.37300 1.000 H76 H -4.42000 -1.38600 -1.97000 1.000 H77 H -4.35000 -0.91300 -3.68500 1.000 H78 H -3.57200 0.95900 3.54200 1.000 H79 H -0.19100 3.79700 1.86700 1.000 H80 H 0.64300 0.21400 -2.21700 1.000 H81 H 4.24800 1.54300 1.23200 1.000 H82 H 6.21900 3.02500 1.71300 1.000 H83 H 6.66200 2.93700 -0.00800 1.000 H84 H 5.29000 4.83500 0.46200 1.000 H85 H 6.98100 0.46300 0.40200 1.000 H86 H 6.88600 1.45300 2.57400 1.000 H87 H 4.51800 -0.97000 1.50200 1.000 H88 H 6.62500 -1.93400 2.08800 1.000 H89 H 5.81400 -1.07100 -1.26300 1.000 H90 H 3.24000 -2.33800 -0.71300 1.000 H91 H 3.88100 -4.91500 -2.22100 1.000 H92 H 4.74600 -5.59600 -0.82200 1.000 H93 H 3.20800 -4.73300 -0.58300 1.000