# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C6Q' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.12100 0.61900 -0.55100 1.000 C1 C 12.84500 -1.79300 0.26400 1.000 C2 C 11.79700 -0.68100 0.34100 1.000 C3 C 16.63700 -1.77300 0.92800 1.000 C4 C 15.26500 -2.33900 0.55800 1.000 C5 C 14.21700 -1.22700 0.63500 1.000 O6 O -3.41400 -0.50700 -1.95900 1.000 C7 C -3.00500 -0.36100 -0.82600 1.000 C8 C -3.48500 -1.27300 0.27200 1.000 C9 C -4.47400 -2.28800 -0.30400 1.000 C10 C -4.96200 -3.21500 0.81200 1.000 C11 C -5.95100 -4.23000 0.23600 1.000 C12 C -6.43900 -5.15700 1.35200 1.000 C13 C -7.41400 -6.15600 0.78400 1.000 C14 C -6.95700 -7.36600 0.29500 1.000 C15 C -7.85200 -8.28200 -0.22600 1.000 C16 C -9.20200 -7.99000 -0.25600 1.000 C17 C -9.65900 -6.78100 0.23400 1.000 C18 C -8.76500 -5.86600 0.75900 1.000 C19 C -1.65400 1.50600 -1.61900 1.000 C20 C -2.64800 2.65500 -1.79800 1.000 O21 O -2.67300 3.45300 -0.61300 1.000 C22 C -3.57500 4.56000 -0.67600 1.000 C23 C -3.34100 5.47700 0.52700 1.000 O24 O -1.98000 5.91300 0.53900 1.000 C25 C -3.64300 4.70500 1.81500 1.000 O26 O -3.49800 5.57500 2.94000 1.000 C27 C -5.08000 4.17700 1.75700 1.000 O28 O -5.99000 5.27700 1.69900 1.000 C29 C -5.24600 3.30900 0.50600 1.000 C30 C -6.69500 2.82800 0.40900 1.000 O31 O -6.82300 1.92500 -0.69200 1.000 O32 O -4.92000 4.08000 -0.65300 1.000 C33 C -0.28200 2.07200 -1.24900 1.000 O34 O 0.11600 3.03500 -2.22700 1.000 C35 C 0.74300 0.93700 -1.20400 1.000 O36 O 0.34500 -0.02600 -0.22600 1.000 C37 C 2.11500 1.50300 -0.83400 1.000 C38 C 3.16300 0.39100 -0.91000 1.000 C39 C 4.53600 0.95700 -0.54000 1.000 C40 C 5.58400 -0.15500 -0.61700 1.000 C41 C 6.95600 0.41100 -0.24600 1.000 C42 C 8.00400 -0.70100 -0.32300 1.000 C43 C 9.37600 -0.13500 0.04700 1.000 C44 C 10.42400 -1.24700 -0.02900 1.000 C45 C 17.68500 -2.88500 0.85200 1.000 H46 H -1.79600 0.73800 0.35500 1.000 H47 H 12.58100 -2.59000 0.96000 1.000 H48 H 12.87800 -2.19200 -0.74900 1.000 H49 H 11.76400 -0.28200 1.35500 1.000 H50 H 12.06100 0.11600 -0.35400 1.000 H51 H 16.90200 -0.97600 0.23300 1.000 H52 H 16.60400 -1.37400 1.94200 1.000 H53 H 15.29800 -2.73800 -0.45600 1.000 H54 H 15.00100 -3.13600 1.25300 1.000 H55 H 14.48100 -0.43000 -0.06100 1.000 H56 H 14.18400 -0.82800 1.64900 1.000 H57 H -2.63400 -1.80100 0.70400 1.000 H58 H -3.97700 -0.68400 1.04500 1.000 H59 H -5.32500 -1.76100 -0.73600 1.000 H60 H -3.98200 -2.87800 -1.07700 1.000 H61 H -4.11100 -3.74200 1.24400 1.000 H62 H -5.45400 -2.62500 1.58500 1.000 H63 H -6.80200 -3.70300 -0.19600 1.000 H64 H -5.45900 -4.81900 -0.53700 1.000 H65 H -5.58800 -5.68400 1.78300 1.000 H66 H -6.93100 -4.56700 2.12500 1.000 H67 H -5.90200 -7.59400 0.31800 1.000 H68 H -7.49500 -9.22700 -0.60900 1.000 H69 H -9.90100 -8.70600 -0.66300 1.000 H70 H -10.71400 -6.55200 0.21000 1.000 H71 H -9.12200 -4.92300 1.14500 1.000 H72 H -1.57600 0.94500 -2.55000 1.000 H73 H -2.34300 3.27100 -2.64400 1.000 H74 H -3.64300 2.25000 -1.98400 1.000 H75 H -3.40300 5.11700 -1.59700 1.000 H76 H -4.00000 6.34300 0.45800 1.000 H77 H -1.71800 6.40600 -0.25000 1.000 H78 H -2.94900 3.86900 1.91000 1.000 H79 H -2.61300 5.95100 3.03400 1.000 H80 H -5.28500 3.58000 2.64500 1.000 H81 H -5.93600 5.87200 2.46000 1.000 H82 H -4.58000 2.44900 0.57000 1.000 H83 H -6.97100 2.31700 1.33100 1.000 H84 H -7.35200 3.68300 0.25500 1.000 H85 H -7.71800 1.57900 -0.81400 1.000 H86 H -0.33800 2.55000 -0.27100 1.000 H87 H 0.11400 2.69800 -3.13400 1.000 H88 H 0.79900 0.45900 -2.18200 1.000 H89 H 0.27400 0.33100 0.67100 1.000 H90 H 2.37900 2.30000 -1.52900 1.000 H91 H 2.08200 1.90200 0.18000 1.000 H92 H 2.89900 -0.40600 -0.21500 1.000 H93 H 3.19600 -0.00800 -1.92400 1.000 H94 H 4.80000 1.75400 -1.23500 1.000 H95 H 4.50300 1.35600 0.47400 1.000 H96 H 5.32000 -0.95200 0.07900 1.000 H97 H 5.61700 -0.55400 -1.63000 1.000 H98 H 7.22000 1.20800 -0.94200 1.000 H99 H 6.92300 0.81000 0.76800 1.000 H100 H 7.74000 -1.49800 0.37300 1.000 H101 H 8.03700 -1.10000 -1.33700 1.000 H102 H 9.64100 0.66200 -0.64800 1.000 H103 H 9.34300 0.26400 1.06100 1.000 H104 H 10.45700 -1.64600 -1.04300 1.000 H105 H 10.16000 -2.04400 0.66600 1.000 H106 H 17.42100 -3.68200 1.54700 1.000 H107 H 17.71800 -3.28400 -0.16200 1.000 H108 H 18.66300 -2.48200 1.11600 1.000