# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXG' 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 -1.97200 1.86800 -0.58200 1.000 C1 C -4.36900 1.32400 -0.25100 1.000 O2 O -4.61400 2.45000 -0.63000 1.000 N3 N -5.35500 0.40800 -0.17800 1.000 C4 C -6.72200 0.77300 -0.55600 1.000 C5 C -6.89100 0.61800 -2.06900 1.000 C6 C -5.86400 1.49400 -2.78900 1.000 C7 C -6.67700 -0.84500 -2.45900 1.000 C8 C -8.30200 1.05300 -2.47100 1.000 C9 C -7.69700 -0.13200 0.15300 1.000 O10 O -7.31000 -1.16300 0.65900 1.000 N11 N -9.00000 0.20600 0.22500 1.000 C12 C -2.79300 1.10400 1.65100 1.000 C13 C -3.78600 0.22000 2.36000 1.000 C14 C -3.47200 -1.10000 2.62400 1.000 C15 C -4.38400 -1.91100 3.27400 1.000 C16 C -5.60900 -1.40100 3.66100 1.000 C17 C -5.92300 -0.08100 3.39800 1.000 C18 C -5.01000 0.73100 2.75200 1.000 O19 O -2.71000 -0.40700 -0.23300 1.000 C20 C 0.44500 2.42000 -0.88800 1.000 N21 N 1.81900 1.98800 -0.59600 1.000 N22 N 2.07700 0.76700 -1.15300 1.000 C23 C 2.38000 -0.28200 -0.36400 1.000 O24 O 2.50000 -0.12600 0.83300 1.000 C25 C 2.57000 -1.64900 -0.96800 1.000 C26 C 1.20700 -2.24100 -1.33200 1.000 C27 C 1.39300 -3.66400 -1.86000 1.000 C28 C 0.31600 -2.27000 -0.08800 1.000 C29 C 0.54800 -1.37800 -2.41000 1.000 N30 N 3.23900 -2.52300 -0.00100 1.000 C31 C 3.95700 -3.58000 -0.43100 1.000 O32 O 4.04800 -3.80900 -1.62000 1.000 O33 O 4.57100 -4.38200 0.45900 1.000 C34 C 5.32600 -5.50200 -0.07500 1.000 C35 C 2.79300 2.99000 -1.05000 1.000 C36 C 4.17700 2.57200 -0.62600 1.000 C37 C 4.94600 1.78300 -1.46200 1.000 C38 C 6.21400 1.39700 -1.07900 1.000 C39 C 4.67700 2.98400 0.59700 1.000 C40 C 5.94500 2.60400 0.99000 1.000 C41 C 6.72100 1.80500 0.15300 1.000 C42 C 8.08500 1.39400 0.57000 1.000 C43 C 8.59100 1.80100 1.80300 1.000 C44 C -2.96200 0.95000 0.13800 1.000 C45 C 9.86000 1.41600 2.18600 1.000 C46 C -9.93300 -0.62900 0.98600 1.000 C47 C 10.62800 0.62600 1.34900 1.000 C48 C -0.54300 1.47500 -0.20200 1.000 C49 C 10.13000 0.21900 0.12500 1.000 C50 C 8.86100 0.59400 -0.26600 1.000 H51 H -2.10200 1.76800 -1.65900 1.000 H52 H -2.15500 2.90100 -0.28800 1.000 H53 H -0.42200 1.54600 0.87900 1.000 H54 H -0.35000 0.45100 -0.52300 1.000 H55 H -5.15900 -0.49200 0.12600 1.000 H56 H -6.91400 1.80800 -0.27300 1.000 H57 H -7.40900 -1.46900 -1.94600 1.000 H58 H -6.79800 -0.95500 -3.53700 1.000 H59 H -5.67200 -1.15500 -2.17200 1.000 H60 H -8.44300 2.10500 -2.22300 1.000 H61 H -8.43400 0.91100 -3.54400 1.000 H62 H -9.03500 0.45100 -1.93300 1.000 H63 H -4.85900 1.18500 -2.50200 1.000 H64 H -5.98400 1.38400 -3.86600 1.000 H65 H -6.01600 2.53700 -2.51000 1.000 H66 H -9.32000 1.00300 -0.22700 1.000 H67 H -9.94400 -1.63500 0.56700 1.000 H68 H -9.61400 -0.67300 2.02700 1.000 H69 H -10.93300 -0.20000 0.93000 1.000 H70 H -2.96600 2.14300 1.93200 1.000 H71 H -1.78100 0.81400 1.93500 1.000 H72 H -2.51500 -1.49800 2.32200 1.000 H73 H -5.25300 1.76400 2.54900 1.000 H74 H -4.13800 -2.94200 3.48000 1.000 H75 H -6.32100 -2.03400 4.16900 1.000 H76 H -6.88000 0.31700 3.70000 1.000 H77 H -2.79900 -0.57800 -1.18100 1.000 H78 H 0.29700 3.43400 -0.51600 1.000 H79 H 0.27900 2.40000 -1.96500 1.000 H80 H 2.04200 0.65600 -2.11600 1.000 H81 H 2.75400 3.06900 -2.13600 1.000 H82 H 2.55400 3.95600 -0.60600 1.000 H83 H 3.18200 -1.56700 -1.86700 1.000 H84 H 3.16600 -2.34000 0.94900 1.000 H85 H 1.18600 -1.35000 -3.29300 1.000 H86 H -0.42000 -1.80500 -2.67500 1.000 H87 H 0.40700 -0.36600 -2.03000 1.000 H88 H 1.86200 -4.27900 -1.09200 1.000 H89 H 0.42100 -4.08600 -2.11900 1.000 H90 H 2.02700 -3.64300 -2.74600 1.000 H91 H 0.18400 -1.25600 0.28900 1.000 H92 H -0.65500 -2.69200 -0.34600 1.000 H93 H 0.78600 -2.88500 0.68100 1.000 H94 H 5.76900 -6.06600 0.74500 1.000 H95 H 4.66000 -6.15100 -0.64400 1.000 H96 H 6.11500 -5.12900 -0.72800 1.000 H97 H 4.55200 1.46700 -2.41700 1.000 H98 H 4.07500 3.60300 1.24400 1.000 H99 H 6.81300 0.78100 -1.73300 1.000 H100 H 6.33400 2.92600 1.94400 1.000 H101 H 7.99200 2.41800 2.45700 1.000 H102 H 8.47100 0.27200 -1.22000 1.000 H103 H 10.25300 1.73100 3.14100 1.000 H104 H 11.62000 0.32700 1.65300 1.000 H105 H 10.73400 -0.39700 -0.52500 1.000