# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '009' 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 -1.64200 0.61000 0.92300 1.000 O1 O -1.66900 -0.04700 1.94100 1.000 N2 N -0.79500 0.27900 -0.07200 1.000 C3 C 0.16900 -0.80800 0.11900 1.000 C4 C 0.03300 -1.81700 -1.02300 1.000 C5 C -1.30900 -2.49700 -0.93500 1.000 C6 C -2.42000 -1.91400 -1.51600 1.000 C7 C -1.42900 -3.70800 -0.27800 1.000 C8 C -3.65000 -2.53800 -1.43500 1.000 C9 C -2.65900 -4.33200 -0.19700 1.000 C10 C -3.77100 -3.74600 -0.77300 1.000 C11 C 1.58800 -0.23600 0.12800 1.000 O12 O 1.88700 0.31400 -1.15700 1.000 C13 C 2.58500 -1.35000 0.45100 1.000 N14 N 3.93300 -0.77900 0.57700 1.000 C15 C 4.91900 -1.82300 0.88800 1.000 C16 C 6.28700 -1.20100 1.00900 1.000 C17 C 6.73000 -0.74100 2.23600 1.000 C18 C 7.98400 -0.17000 2.35200 1.000 C19 C 8.79900 -0.05800 1.24200 1.000 C20 C 8.35700 -0.51900 0.00900 1.000 C21 C 7.09800 -1.09600 -0.10300 1.000 N22 N 9.17800 -0.40600 -1.11600 1.000 C23 C 10.50700 0.19900 -0.99500 1.000 C24 C 8.71000 -0.89300 -2.41600 1.000 C25 C -2.56000 1.79500 0.76600 1.000 N26 N -2.98600 1.93700 -0.63400 1.000 C27 C -4.31800 1.81300 -0.70400 1.000 O28 O -4.93600 1.88800 -1.74800 1.000 N29 N -4.90600 1.59800 0.48000 1.000 C30 C -3.87800 1.56300 1.53100 1.000 C31 C -6.34500 1.42600 0.69400 1.000 C32 C -6.71300 -0.02200 0.49500 1.000 C33 C -6.80700 -0.86700 1.58400 1.000 C34 C -6.96200 -0.50300 -0.77700 1.000 C35 C -7.29900 -1.83100 -0.96000 1.000 C36 C -7.14400 -2.19500 1.40200 1.000 C37 C -7.38700 -2.67800 0.12900 1.000 C38 C -1.87300 3.07300 1.25100 1.000 C39 C 1.64800 3.12500 -0.11000 1.000 C40 C 1.49700 3.91000 -1.23700 1.000 C41 C 0.25500 4.42400 -1.56000 1.000 C42 C -0.83600 4.15300 -0.75400 1.000 C43 C -0.68400 3.36800 0.37300 1.000 C44 C 0.55800 2.85400 0.69600 1.000 H45 H -0.82300 0.75900 -0.91400 1.000 H46 H -0.02800 -1.30600 1.06900 1.000 H47 H 0.11500 -1.29800 -1.97800 1.000 H48 H 0.82400 -2.56300 -0.94500 1.000 H49 H -2.32500 -0.97000 -2.03300 1.000 H50 H -0.56000 -4.16600 0.17200 1.000 H51 H -4.51800 -2.08200 -1.88800 1.000 H52 H -2.75300 -5.27800 0.31600 1.000 H53 H -4.73200 -4.23300 -0.71000 1.000 H54 H 1.66000 0.54700 0.88300 1.000 H55 H 1.84300 -0.32700 -1.87900 1.000 H56 H 2.30400 -1.82900 1.38900 1.000 H57 H 2.57700 -2.08900 -0.35100 1.000 H58 H 4.19100 -0.27500 -0.25700 1.000 H59 H 4.65400 -2.30500 1.82900 1.000 H60 H 4.92700 -2.56500 0.08900 1.000 H61 H 6.09500 -0.82700 3.10500 1.000 H62 H 8.32700 0.18900 3.31100 1.000 H63 H 9.77800 0.38900 1.33400 1.000 H64 H 6.75300 -1.45900 -1.06000 1.000 H65 H 11.23800 -0.57500 -0.76300 1.000 H66 H 10.77300 0.68100 -1.93500 1.000 H67 H 10.49700 0.94000 -0.19600 1.000 H68 H 8.19200 -0.09000 -2.94000 1.000 H69 H 9.56300 -1.22200 -3.00900 1.000 H70 H 8.02700 -1.72900 -2.26700 1.000 H71 H -2.39500 2.09500 -1.38700 1.000 H72 H -3.86800 0.59000 2.02300 1.000 H73 H -4.04500 2.35900 2.25700 1.000 H74 H -6.60000 1.73000 1.70900 1.000 H75 H -6.89400 2.04200 -0.01800 1.000 H76 H -6.61600 -0.49000 2.57800 1.000 H77 H -6.89300 0.15900 -1.62800 1.000 H78 H -7.49400 -2.20700 -1.95300 1.000 H79 H -7.21700 -2.85600 2.25300 1.000 H80 H -7.65100 -3.71500 -0.01300 1.000 H81 H -2.57600 3.90500 1.20200 1.000 H82 H -1.54000 2.93900 2.28000 1.000 H83 H 2.61800 2.71900 0.14000 1.000 H84 H 2.34900 4.12200 -1.86600 1.000 H85 H 0.13700 5.03800 -2.44100 1.000 H86 H -1.80600 4.55600 -1.00600 1.000 H87 H 0.67600 2.24000 1.57700 1.000