# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NU' 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 3.15600 -2.62300 -0.30400 1.000 C1 C 3.20500 -1.46700 0.06600 1.000 C2 C 4.51500 -0.81800 0.29000 1.000 C3 C 5.69600 -1.53100 0.07900 1.000 C4 C 6.91400 -0.92000 0.29000 1.000 C5 C 6.96800 0.39700 0.71100 1.000 C6 C 8.30200 1.05800 0.94100 1.000 N7 N 8.75300 1.69200 -0.30000 1.000 N8 N 8.89700 1.06100 -1.54300 1.000 C9 C 9.31900 1.94900 -2.40600 1.000 C10 C 9.45700 3.17200 -1.74100 1.000 C11 C 9.09700 2.98800 -0.45000 1.000 C12 C 5.80100 1.11000 0.92200 1.000 C13 C 4.57600 0.51200 0.70900 1.000 N14 N 2.06700 -0.77300 0.26500 1.000 C15 C 0.77400 -1.37600 -0.06800 1.000 C16 C 0.23400 -2.13000 1.14900 1.000 O17 O -1.03300 -2.70800 0.82800 1.000 C18 C -1.11900 -4.10800 1.10000 1.000 C19 C -0.95600 -4.34600 2.60300 1.000 C20 C -2.48200 -4.63400 0.64500 1.000 C21 C -0.01000 -4.84400 0.34400 1.000 C22 C 0.06900 -1.15800 2.31900 1.000 C23 C -0.19900 -0.29400 -0.46100 1.000 O24 O 0.11600 0.87200 -0.35200 1.000 N25 N -1.41700 -0.62300 -0.93300 1.000 C26 C -2.32200 0.42300 -1.41600 1.000 C27 C -3.14800 1.01100 -0.25200 1.000 N28 N -4.51100 1.23700 -0.75500 1.000 C29 C -4.56300 0.84200 -2.17400 1.000 C30 C -5.88700 0.19600 -2.49100 1.000 N31 N -6.30100 0.09900 -3.77000 1.000 C32 C -7.58800 -0.53000 -4.07800 1.000 O33 O -6.58000 -0.23800 -1.59500 1.000 C34 C -3.41000 -0.17800 -2.34500 1.000 C35 C -5.54300 1.72200 -0.03600 1.000 O36 O -6.65400 1.77500 -0.52600 1.000 C37 C -5.32300 2.19100 1.34900 1.000 C38 C -6.35500 2.81900 2.04800 1.000 C39 C -6.14300 3.25300 3.34100 1.000 C40 C -4.91200 3.06800 3.94300 1.000 C41 C -3.88500 2.44600 3.25500 1.000 C42 C -4.08500 2.00200 1.96500 1.000 H43 H 2.10400 0.12500 0.62900 1.000 H44 H 5.65600 -2.55900 -0.24900 1.000 H45 H 3.66600 1.07100 0.87000 1.000 H46 H 7.82900 -1.47100 0.12700 1.000 H47 H 8.20400 1.81300 1.72000 1.000 H48 H 9.03000 0.30800 1.25100 1.000 H49 H 5.84900 2.13700 1.25100 1.000 H50 H 9.09000 3.74200 0.32300 1.000 H51 H 9.52600 1.76900 -3.45000 1.000 H52 H 9.78800 4.10100 -2.18200 1.000 H53 H 0.90000 -2.07000 -0.89900 1.000 H54 H 0.93300 -2.91900 1.42700 1.000 H55 H -0.72500 -0.44700 2.09200 1.000 H56 H -0.18800 -1.71500 3.22000 1.000 H57 H 1.00300 -0.62000 2.47900 1.000 H58 H -1.66300 -3.72000 3.14800 1.000 H59 H -1.15100 -5.39500 2.82800 1.000 H60 H 0.06100 -4.09300 2.90300 1.000 H61 H -2.59800 -4.46400 -0.42600 1.000 H62 H -2.54700 -5.70100 0.85300 1.000 H63 H -3.27100 -4.10900 1.18300 1.000 H64 H 0.96000 -4.54000 0.73600 1.000 H65 H -0.13400 -5.91900 0.47400 1.000 H66 H -0.06800 -4.59600 -0.71600 1.000 H67 H -1.69600 -1.55200 -0.95300 1.000 H68 H -1.76400 1.20800 -1.92800 1.000 H69 H -3.17100 0.30600 0.57900 1.000 H70 H -2.71100 1.95600 0.07200 1.000 H71 H -3.06600 -0.21000 -3.37900 1.000 H72 H -3.71100 -1.16800 -2.00400 1.000 H73 H -4.40300 1.71000 -2.81500 1.000 H74 H -5.74700 0.44600 -4.48600 1.000 H75 H -7.75100 -0.51600 -5.15500 1.000 H76 H -7.58200 -1.56100 -3.72400 1.000 H77 H -8.38800 0.02000 -3.58200 1.000 H78 H -7.31700 2.96400 1.57900 1.000 H79 H -3.28300 1.51300 1.43000 1.000 H80 H -6.94100 3.73900 3.88300 1.000 H81 H -4.75100 3.41100 4.95500 1.000 H82 H -2.92600 2.30500 3.73100 1.000