# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99A' 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 4.80800 2.98400 1.79200 1.000 C1 C 5.39500 1.89500 0.93100 1.000 C2 C 6.74200 1.89800 0.63800 1.000 C3 C 7.28500 0.88900 -0.15800 1.000 C4 C 8.73200 0.89200 -0.47200 1.000 O5 O 9.20000 0.02900 -1.18800 1.000 N6 N 9.53000 1.85200 0.03600 1.000 C7 C 6.46400 -0.12200 -0.65900 1.000 C8 C 7.05100 -1.21100 -1.52000 1.000 C9 C 5.11800 -0.12500 -0.36700 1.000 C10 C 4.57600 0.88000 0.43500 1.000 C11 C 3.13000 0.87400 0.75400 1.000 O12 O 2.66300 1.73300 1.47600 1.000 N13 N 2.33200 -0.08600 0.24500 1.000 C14 C 0.90200 -0.09300 0.56200 1.000 C15 C 0.54200 -1.40400 1.26600 1.000 C16 C 0.09300 0.03800 -0.73200 1.000 C17 C 0.31100 -1.22200 -1.58500 1.000 C18 C 1.83100 -1.50300 -1.63300 1.000 C19 C 2.10700 -2.39200 -0.40200 1.000 C20 C 0.72900 -2.56700 0.27800 1.000 N21 N -0.25000 -2.37100 -0.82500 1.000 C22 C -1.50600 -2.06900 -0.32500 1.000 C23 C -1.95200 -2.69700 0.83700 1.000 C24 C -3.19300 -2.39600 1.32800 1.000 N25 N -2.26500 -1.18400 -0.95600 1.000 C26 C -3.46500 -0.86700 -0.51800 1.000 C27 C -3.97800 -1.46000 0.63700 1.000 C28 C -5.32300 -1.10400 1.12700 1.000 O29 O -5.75900 -1.62200 2.13700 1.000 N30 N -6.06800 -0.20300 0.45600 1.000 C31 C -7.40400 0.15000 0.94300 1.000 C32 C -8.02100 1.16900 0.02000 1.000 C33 C -8.77800 0.75500 -1.06000 1.000 C34 C -9.34400 1.69000 -1.90700 1.000 C35 C -9.15400 3.03900 -1.67200 1.000 C36 C -8.39900 3.45300 -0.59100 1.000 C37 C -7.83600 2.51900 0.25700 1.000 H38 H 4.36000 3.74800 1.15600 1.000 H39 H 4.04500 2.56000 2.44400 1.000 H40 H 5.59600 3.43200 2.39700 1.000 H41 H 7.37700 2.68100 1.02600 1.000 H42 H 9.15600 2.54100 0.60800 1.000 H43 H 10.47800 1.85400 -0.16900 1.000 H44 H 7.50300 -1.97300 -0.88500 1.000 H45 H 6.26300 -1.66200 -2.12300 1.000 H46 H 7.81200 -0.78700 -2.17500 1.000 H47 H 4.48300 -0.90900 -0.75400 1.000 H48 H 2.70500 -0.77200 -0.33000 1.000 H49 H 1.19500 -1.54800 2.12600 1.000 H50 H -0.49700 -1.36900 1.59500 1.000 H51 H -0.96500 0.13900 -0.49300 1.000 H52 H 0.42900 0.91600 -1.28500 1.000 H53 H 0.62900 -3.53800 0.76300 1.000 H54 H -0.12200 -1.12400 -2.58000 1.000 H55 H 2.08900 -2.03400 -2.54900 1.000 H56 H 2.39100 -0.57200 -1.56100 1.000 H57 H 2.50100 -3.35900 -0.71300 1.000 H58 H 2.80300 -1.89700 0.27400 1.000 H59 H -1.32300 -3.41300 1.34500 1.000 H60 H -3.56100 -2.86900 2.22700 1.000 H61 H -4.05800 -0.14200 -1.05600 1.000 H62 H -5.72000 0.21000 -0.34900 1.000 H63 H -8.02900 -0.74200 0.96900 1.000 H64 H -7.32600 0.56900 1.94600 1.000 H65 H -8.92600 -0.29900 -1.24300 1.000 H66 H -7.24900 2.84200 1.10400 1.000 H67 H -9.93400 1.36600 -2.75100 1.000 H68 H -9.59600 3.76900 -2.33400 1.000 H69 H -8.25000 4.50700 -0.40900 1.000 H70 H 0.67200 0.74700 1.21900 1.000