# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9AJ' 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 -7.45900 -2.24600 0.67100 1.000 C1 C -6.11900 1.36200 -0.75400 1.000 C2 C -8.81600 -1.91900 0.82900 1.000 C3 C -10.10100 -2.45600 1.41800 1.000 C4 C -9.03000 -0.71200 0.24800 1.000 C5 C -11.22200 -1.62800 0.75500 1.000 C6 C -12.36300 -1.36300 1.74000 1.000 C7 C -11.74300 -2.32300 -0.50500 1.000 C8 C -10.48700 -0.31800 0.39800 1.000 C9 C -7.56900 0.95500 -1.01500 1.000 C10 C -6.87700 -1.21000 0.00600 1.000 O11 O 2.68500 2.90100 1.35100 1.000 C12 C 1.71500 2.48300 0.74000 1.000 C13 C 1.31600 1.13500 0.88700 1.000 N14 N 2.03000 0.27500 1.73100 1.000 C15 C 3.37400 0.00800 1.47900 1.000 N16 N 4.07000 -0.71500 2.34200 1.000 C17 C 5.34500 -0.99100 2.14400 1.000 C18 C 6.00400 -0.52900 1.01400 1.000 N19 N 7.35700 -0.82800 0.81200 1.000 C20 C 8.16500 0.39900 0.75900 1.000 C21 C 7.96100 1.19900 2.04700 1.000 C22 C 9.64300 0.02800 0.61700 1.000 N23 N 9.82900 -0.77400 -0.60100 1.000 C24 C 11.24800 -1.08700 -0.81300 1.000 C25 C 11.55100 -1.81100 -2.13200 1.000 O26 O 12.48700 -2.63200 -1.42100 1.000 C27 C 11.69600 -2.43700 -0.23900 1.000 C28 C 9.02100 -2.00100 -0.54900 1.000 C29 C 7.54300 -1.63000 -0.40600 1.000 C30 C 5.30300 0.23500 0.08300 1.000 C31 C 3.96700 0.50000 0.32100 1.000 C32 C 0.22800 0.68100 0.19800 1.000 N33 N 1.02400 3.30900 -0.06700 1.000 C34 C 1.44600 4.70500 -0.20500 1.000 C35 C -0.05900 2.86700 -0.75600 1.000 C36 C -0.47200 1.57100 -0.64600 1.000 C37 C -1.65700 1.10100 -1.40500 1.000 C38 C -1.57600 0.85300 -2.77900 1.000 C39 C -2.69800 0.41600 -3.45000 1.000 N40 N -3.84000 0.23000 -2.81500 1.000 C41 C -2.87900 0.88900 -0.76500 1.000 C42 C -3.02200 1.13500 0.71500 1.000 O43 O -3.44700 2.48100 0.93500 1.000 C44 C -3.96300 0.45300 -1.51500 1.000 N45 N -5.19100 0.24200 -0.89200 1.000 C46 C -5.49100 -0.99500 -0.43000 1.000 O47 O -4.65800 -1.88100 -0.37800 1.000 N48 N -7.86300 -0.27500 -0.27300 1.000 H49 H -6.96900 -3.14500 1.01500 1.000 H50 H -5.83900 2.14100 -1.46300 1.000 H51 H -6.04100 1.76300 0.25700 1.000 H52 H -10.21700 -3.51200 1.17600 1.000 H53 H -10.11100 -2.31200 2.49900 1.000 H54 H -11.97500 -0.83300 2.61000 1.000 H55 H -13.12800 -0.75600 1.25600 1.000 H56 H -12.79700 -2.31100 2.05600 1.000 H57 H -12.47700 -1.68400 -0.99600 1.000 H58 H -10.91300 -2.51200 -1.18500 1.000 H59 H -12.21100 -3.26800 -0.23100 1.000 H60 H -10.60100 0.41000 1.20100 1.000 H61 H -10.86800 0.08700 -0.53900 1.000 H62 H -8.23700 1.74800 -0.67900 1.000 H63 H -7.71400 0.78200 -2.08100 1.000 H64 H 1.58800 -0.13600 2.49000 1.000 H65 H 5.88200 -1.58400 2.87000 1.000 H66 H 7.85700 1.00100 -0.09600 1.000 H67 H 8.17500 0.56500 2.90700 1.000 H68 H 8.63400 2.05700 2.05200 1.000 H69 H 6.92900 1.54700 2.10000 1.000 H70 H 10.24100 0.93600 0.54900 1.000 H71 H 9.95800 -0.55100 1.48500 1.000 H72 H 11.91600 -0.25500 -0.59000 1.000 H73 H 10.70000 -2.36600 -2.52500 1.000 H74 H 12.01800 -1.17000 -2.88000 1.000 H75 H 12.29200 -2.34500 0.66900 1.000 H76 H 10.88300 -3.15600 -0.13900 1.000 H77 H 9.16600 -2.57100 -1.46600 1.000 H78 H 9.32900 -2.60300 0.30600 1.000 H79 H 6.94500 -2.53800 -0.33800 1.000 H80 H 7.22800 -1.05100 -1.27400 1.000 H81 H 5.79100 0.60800 -0.80500 1.000 H82 H 3.39300 1.08900 -0.38000 1.000 H83 H -0.09200 -0.34600 0.29600 1.000 H84 H 2.32500 4.88200 0.41500 1.000 H85 H 1.68900 4.91000 -1.24700 1.000 H86 H 0.63800 5.36300 0.11600 1.000 H87 H -0.59900 3.54700 -1.39800 1.000 H88 H -0.64600 1.00200 -3.30800 1.000 H89 H -2.64200 0.22200 -4.51100 1.000 H90 H -3.76000 0.44800 1.12800 1.000 H91 H -2.06100 0.97300 1.20400 1.000 H92 H -3.56000 2.71000 1.86800 1.000