# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ED' 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 6.13500 -1.03200 -0.21300 1.000 O1 O 5.55000 -2.02200 -0.60600 1.000 O2 O 7.38900 -1.13500 0.26500 1.000 C3 C 7.98100 -2.46100 0.28100 1.000 C4 C 9.37700 -2.38100 0.84400 1.000 C5 C 9.58300 -2.52500 2.20400 1.000 C6 C 10.86300 -2.45200 2.72000 1.000 C7 C 11.93700 -2.23500 1.87800 1.000 C8 C 11.73100 -2.09200 0.51800 1.000 C9 C 10.45100 -2.17000 0.00100 1.000 N10 N 5.52900 0.17100 -0.26100 1.000 C11 C 4.16600 0.28500 -0.78600 1.000 C12 C 3.71700 1.74600 -0.72900 1.000 C13 C 2.29400 1.86500 -1.27800 1.000 C14 C 1.89800 3.31800 -1.33700 1.000 O15 O 0.94200 3.70900 -0.70900 1.000 O16 O 2.60600 4.17700 -2.08500 1.000 N17 N 1.36800 1.14000 -0.39800 1.000 C18 C 0.11400 0.82600 -1.09600 1.000 C19 C -1.02100 0.80400 -0.10500 1.000 O20 O -0.80700 1.02700 1.06700 1.000 C21 C 0.23300 -0.54400 -1.76700 1.000 C22 C 1.28700 -0.48000 -2.87500 1.000 C23 C 1.48200 -1.87400 -3.47400 1.000 C24 C 0.82000 0.48400 -3.96700 1.000 N25 N -2.27400 0.53600 -0.52200 1.000 C26 C -3.37800 0.51400 0.44100 1.000 C27 C -4.48500 -0.36400 -0.08300 1.000 O28 O -4.36400 -0.91700 -1.15600 1.000 C29 C -3.90600 1.93500 0.64300 1.000 C30 C -2.83600 2.78300 1.28200 1.000 C31 C -1.94000 3.47700 0.49100 1.000 C32 C -2.75400 2.87100 2.65900 1.000 C33 C -0.95900 4.25400 1.07700 1.000 C34 C -1.77300 3.64800 3.24500 1.000 C35 C -0.87400 4.33800 2.45400 1.000 O36 O -11.56500 -2.87900 -0.08400 1.000 C37 C -11.00700 -3.44600 1.10500 1.000 C38 C -9.93500 -2.50400 1.65900 1.000 N39 N -8.91700 -2.26600 0.62500 1.000 C40 C -9.52500 -1.68400 -0.58000 1.000 C41 C -10.60100 -2.63400 -1.11200 1.000 C42 C -7.83800 -1.41100 1.13600 1.000 C43 C -6.68600 -1.38800 0.13000 1.000 N44 N -5.60900 -0.53500 0.64000 1.000 H45 H 7.37600 -3.12200 0.90200 1.000 H46 H 8.02100 -2.85300 -0.73500 1.000 H47 H 8.74300 -2.69400 2.86200 1.000 H48 H 11.02300 -2.56300 3.78200 1.000 H49 H 12.93700 -2.17700 2.28100 1.000 H50 H 12.57000 -1.92200 -0.14000 1.000 H51 H 10.29100 -2.06200 -1.06200 1.000 H52 H 5.99500 0.96200 0.05300 1.000 H53 H 4.14500 -0.06200 -1.81900 1.000 H54 H 3.49200 -0.32600 -0.18400 1.000 H55 H 3.73900 2.09300 0.30400 1.000 H56 H 4.39100 2.35700 -1.33100 1.000 H57 H 2.25400 1.43600 -2.27900 1.000 H58 H 2.31400 5.09900 -2.09200 1.000 H59 H 1.19000 1.66100 0.44800 1.000 H60 H -0.07900 1.58600 -1.85300 1.000 H61 H 0.52900 -1.28600 -1.02600 1.000 H62 H -0.72900 -0.82300 -2.19600 1.000 H63 H 2.23000 -0.12700 -2.45800 1.000 H64 H 0.53800 -2.22600 -3.89000 1.000 H65 H 2.23300 -1.82800 -4.26300 1.000 H66 H 1.81500 -2.56000 -2.69500 1.000 H67 H 0.68000 1.47700 -3.54100 1.000 H68 H 1.57000 0.53000 -4.75600 1.000 H69 H -0.12400 0.13200 -4.38400 1.000 H70 H -2.44500 0.35700 -1.46000 1.000 H71 H -3.02100 0.12000 1.39300 1.000 H72 H -4.18000 2.36200 -0.32100 1.000 H73 H -4.78300 1.90800 1.29100 1.000 H74 H -2.00700 3.41100 -0.58500 1.000 H75 H -3.45800 2.33300 3.27700 1.000 H76 H -0.25800 4.79600 0.45800 1.000 H77 H -1.70900 3.71700 4.32100 1.000 H78 H -0.10600 4.94500 2.91100 1.000 H79 H -11.79300 -3.58000 1.84700 1.000 H80 H -10.55800 -4.41100 0.87100 1.000 H81 H -10.39400 -1.55800 1.94300 1.000 H82 H -9.46700 -2.95900 2.53200 1.000 H83 H -9.97800 -0.72400 -0.33200 1.000 H84 H -8.75900 -1.54000 -1.34100 1.000 H85 H -10.14100 -3.57600 -1.41000 1.000 H86 H -11.09400 -2.18100 -1.97200 1.000 H87 H -8.21500 -0.39800 1.28100 1.000 H88 H -7.48200 -1.80500 2.08800 1.000 H89 H -6.30900 -2.40000 -0.01400 1.000 H90 H -7.04200 -0.99400 -0.82200 1.000 H91 H -5.70600 -0.09200 1.49800 1.000