# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9EA' 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 -2.22100 8.62000 -0.70000 1.000 C1 C 7.47300 -0.28500 0.90700 1.000 C2 C -5.71500 7.65000 -0.04200 1.000 C3 C -4.43500 5.17100 0.13000 1.000 C4 C 2.20600 1.34600 -2.86900 1.000 C5 C 2.97300 -0.90700 -3.11500 1.000 C6 C -2.32500 -3.09900 0.72800 1.000 C7 C -1.33800 -4.31600 -1.56000 1.000 C8 C 7.81100 0.23800 2.14200 1.000 C9 C -3.67700 6.31900 -0.15300 1.000 C10 C 2.49100 1.29800 -1.49700 1.000 C11 C 3.26500 -0.98500 -1.76000 1.000 C12 C 5.20000 -0.31300 1.61800 1.000 C13 C 3.02600 0.12400 -0.93600 1.000 C14 C -0.47000 -3.70700 -0.66500 1.000 C15 C -6.41800 6.51500 0.22500 1.000 C16 C -5.78000 5.27900 0.30800 1.000 C17 C 2.44700 0.25600 -3.65600 1.000 C18 C -3.56600 8.72600 -0.51500 1.000 C19 C 6.14400 -0.56800 0.63500 1.000 C20 C -2.69700 -4.31600 -1.31300 1.000 C21 C -1.58000 7.38700 -0.61800 1.000 C22 C -0.96600 -3.09900 0.47900 1.000 C23 C 5.61400 0.20100 2.83200 1.000 C24 C -4.32500 7.57700 -0.23700 1.000 C25 C 3.82800 -2.23300 -1.18800 1.000 C26 C 2.35800 2.23500 -0.44400 1.000 C27 C -3.19400 -3.70800 -0.16800 1.000 C28 C -2.28300 6.24700 -0.34400 1.000 C29 C 2.79600 1.64000 0.69700 1.000 C30 C 3.14200 -3.16200 -0.38100 1.000 C31 C 5.10200 -2.69300 -1.35200 1.000 C32 C 2.83000 2.26600 2.02500 1.000 C33 C -8.13300 -5.54600 0.81600 1.000 C34 C -4.86600 -4.29500 1.39800 1.000 C35 C -5.30100 -4.40200 -0.98600 1.000 C36 C -6.35500 -4.11300 1.71200 1.000 C37 C -6.80800 -4.22500 -0.76900 1.000 C38 C 6.19400 -2.02500 -2.14800 1.000 C39 C -8.53800 -5.88600 2.22700 1.000 C40 C 6.40800 -4.68900 -0.58100 1.000 C41 C 1.82600 3.64000 -0.56700 1.000 C42 C 3.74300 -0.60900 1.37200 1.000 C43 C 1.70300 -3.06200 0.05500 1.000 C44 C 0.31200 3.63300 -0.34700 1.000 C45 C -0.22800 5.05900 -0.47200 1.000 N46 N 6.88700 0.46300 3.05500 1.000 N47 N 3.97100 -4.12500 -0.07600 1.000 N48 N 3.20500 0.35300 0.40700 1.000 N49 N 5.20800 -3.85400 -0.67400 1.000 N50 N -4.57100 -3.70800 0.08300 1.000 N51 N -7.13800 -4.66300 0.59500 1.000 O52 O 3.28800 1.57100 3.08600 1.000 O53 O -8.70100 -6.06600 -0.12000 1.000 O54 O 2.44500 3.41000 2.16800 1.000 O55 O 0.86800 -3.70700 -0.90900 1.000 O56 O -1.64300 5.05200 -0.26700 1.000 H57 H -1.64300 9.50600 -0.91800 1.000 H58 H 8.23400 -0.46600 0.16300 1.000 H59 H -6.22300 8.60100 -0.10300 1.000 H60 H -3.95300 4.20800 0.20500 1.000 H61 H 1.79100 2.24300 -3.30300 1.000 H62 H 3.15700 -1.75900 -3.75200 1.000 H63 H -2.71000 -2.63000 1.62100 1.000 H64 H -0.95100 -4.78900 -2.45000 1.000 H65 H 8.84400 0.46500 2.36000 1.000 H66 H -7.48600 6.57400 0.37500 1.000 H67 H -6.36100 4.39400 0.52100 1.000 H68 H 2.22400 0.30100 -4.71200 1.000 H69 H -4.04800 9.69100 -0.58200 1.000 H70 H 5.85000 -0.97700 -0.32100 1.000 H71 H -3.37200 -4.78900 -2.01000 1.000 H72 H -0.51300 7.33100 -0.77300 1.000 H73 H -0.29000 -2.62600 1.17500 1.000 H74 H 4.88500 0.40200 3.60300 1.000 H75 H -4.26900 -3.79600 2.16100 1.000 H76 H -4.62400 -5.35800 1.38400 1.000 H77 H -5.05300 -5.46300 -0.96600 1.000 H78 H -5.02000 -3.98000 -1.95100 1.000 H79 H -6.60300 -4.64600 2.63000 1.000 H80 H -6.57700 -3.05300 1.83200 1.000 H81 H -7.07400 -3.17500 -0.89100 1.000 H82 H -7.35500 -4.83100 -1.49100 1.000 H83 H 6.82400 -1.43900 -1.47900 1.000 H84 H 6.79800 -2.78400 -2.64500 1.000 H85 H 5.74900 -1.36900 -2.89600 1.000 H86 H -7.88200 -5.36900 2.92800 1.000 H87 H -9.56800 -5.57200 2.39500 1.000 H88 H -8.45700 -6.96200 2.37900 1.000 H89 H 7.00000 -4.37900 0.28000 1.000 H90 H 6.11600 -5.73300 -0.46400 1.000 H91 H 7.00000 -4.57600 -1.48900 1.000 H92 H 2.29900 4.27400 0.18300 1.000 H93 H 2.04700 4.02700 -1.56200 1.000 H94 H 3.63900 -1.61900 0.97500 1.000 H95 H 3.19200 -0.52900 2.30900 1.000 H96 H 1.58200 -3.54800 1.02300 1.000 H97 H 1.42000 -2.01300 0.13700 1.000 H98 H -0.16100 2.99900 -1.09700 1.000 H99 H 0.09100 3.24600 0.64700 1.000 H100 H 0.24400 5.69300 0.27800 1.000 H101 H -0.00700 5.44600 -1.46700 1.000 H102 H 3.29200 2.02600 3.94000 1.000