# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C80' 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 6.33800 3.28800 0.15300 1.000 C1 C 6.78300 4.16000 -0.82200 1.000 C2 C 8.05500 4.02200 -1.34500 1.000 C3 C 8.88200 3.01100 -0.89200 1.000 C4 C 8.43700 2.13800 0.08400 1.000 C5 C 7.16700 2.28100 0.61100 1.000 C6 C 6.68400 1.33400 1.67900 1.000 N7 N 6.03600 0.17900 1.05100 1.000 C8 C 4.70400 0.06300 0.83700 1.000 C9 C 6.69700 -0.94000 0.58900 1.000 C10 C 6.11700 -3.03400 -0.48200 1.000 C11 C 5.73200 -1.81200 0.06000 1.000 C12 C 4.43500 -1.13100 0.23500 1.000 C13 C 8.03800 -1.31100 0.56500 1.000 C14 C 8.40500 -2.52400 0.02500 1.000 C15 C 7.45000 -3.38400 -0.49800 1.000 C16 C 3.11700 -1.63800 -0.16400 1.000 O17 O 3.01900 -2.72700 -0.69500 1.000 O18 O 2.01400 -0.89500 0.06000 1.000 C19 C 0.74300 -1.45900 -0.36100 1.000 C20 C -0.38400 -0.47900 -0.02800 1.000 C21 C -0.21400 0.79600 -0.85600 1.000 C22 C -1.73300 -1.12400 -0.35600 1.000 C23 C -2.86400 -0.19600 0.09200 1.000 N24 N -2.84000 -0.06600 1.55500 1.000 C25 C -4.20700 -0.78100 -0.34700 1.000 O26 O -4.23000 -0.90700 -1.77000 1.000 C27 C -5.33900 0.14700 0.10100 1.000 C28 C -6.68700 -0.49700 -0.22700 1.000 C29 C -6.85800 -1.77300 0.60200 1.000 C30 C -7.79800 0.46700 0.10100 1.000 O31 O -7.53600 1.56200 0.55300 1.000 N32 N -9.08100 0.11300 -0.10700 1.000 C33 C -10.16100 1.05000 0.21200 1.000 C34 C -11.50900 0.40600 -0.11600 1.000 C35 C -12.63700 1.38500 0.21700 1.000 C36 C -13.98500 0.74100 -0.11100 1.000 H37 H 5.34300 3.39600 0.56100 1.000 H38 H 6.13600 4.95000 -1.17600 1.000 H39 H 8.40300 4.70300 -2.10700 1.000 H40 H 9.87600 2.90200 -1.30100 1.000 H41 H 9.08300 1.34900 0.43700 1.000 H42 H 7.53100 0.99500 2.27400 1.000 H43 H 5.96900 1.84600 2.32300 1.000 H44 H 3.96500 0.80500 1.10400 1.000 H45 H 8.78900 -0.64900 0.96800 1.000 H46 H 5.37600 -3.70600 -0.88900 1.000 H47 H 7.75300 -4.33200 -0.91800 1.000 H48 H 9.44700 -2.80800 0.00800 1.000 H49 H 0.76300 -1.63800 -1.43600 1.000 H50 H 0.57300 -2.40000 0.16200 1.000 H51 H -0.34900 -0.23100 1.03300 1.000 H52 H -0.24900 0.54700 -1.91700 1.000 H53 H -1.01700 1.49300 -0.61900 1.000 H54 H 0.74700 1.25500 -0.62300 1.000 H55 H -1.80400 -1.29100 -1.43000 1.000 H56 H -1.81600 -2.07700 0.16700 1.000 H57 H -2.72900 0.78600 -0.36200 1.000 H58 H -2.96300 -0.96400 2.00000 1.000 H59 H -1.98900 0.37800 1.86500 1.000 H60 H -4.11600 -0.07000 -2.24100 1.000 H61 H -5.26700 0.31400 1.17600 1.000 H62 H -5.25500 1.10000 -0.42100 1.000 H63 H -6.72300 -0.74600 -1.28700 1.000 H64 H -7.81800 -2.23200 0.36800 1.000 H65 H -6.05400 -2.47000 0.36400 1.000 H66 H -6.82200 -1.52400 1.66200 1.000 H67 H -9.29000 -0.76300 -0.46800 1.000 H68 H -10.12500 1.29900 1.27200 1.000 H69 H -10.03900 1.95900 -0.37800 1.000 H70 H -11.54500 0.15800 -1.17700 1.000 H71 H -11.63100 -0.50200 0.47400 1.000 H72 H -12.60100 1.63300 1.27800 1.000 H73 H -12.51500 2.29300 -0.37300 1.000 H74 H -14.02100 0.49300 -1.17200 1.000 H75 H -14.10700 -0.16800 0.47900 1.000 H76 H -14.78800 1.43800 0.12600 1.000 H77 H -4.34200 -1.76300 0.10700 1.000