# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1Q' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 2.11300 1.32100 2.20200 1.000 C1 C 1.72900 1.26800 1.05300 1.000 C2 C 2.47800 0.43500 0.04500 1.000 C3 C 3.67400 -0.23400 0.72500 1.000 C4 C 4.43500 -1.08000 -0.29900 1.000 C5 C 5.63000 -1.74900 0.38100 1.000 C6 C 6.39100 -2.59500 -0.64300 1.000 C7 C 7.58700 -3.26400 0.03700 1.000 C8 C 8.34800 -4.11000 -0.98600 1.000 C9 C 9.54400 -4.78000 -0.30600 1.000 C10 C 10.30500 -5.62500 -1.33000 1.000 C11 C 11.48300 -6.28500 -0.66000 1.000 C12 C 11.33900 -7.53200 -0.08100 1.000 C13 C 12.42000 -8.13700 0.53300 1.000 C14 C 13.64400 -7.49500 0.56800 1.000 C15 C 13.78700 -6.24800 -0.01200 1.000 C16 C 12.70800 -5.64500 -0.63000 1.000 N17 N 0.62800 1.95000 0.67900 1.000 C18 C -0.10400 2.75500 1.66000 1.000 C19 C 0.53900 4.13900 1.76600 1.000 O20 O 0.40000 4.82500 0.52000 1.000 C21 C 0.97000 6.13500 0.51100 1.000 C22 C 0.55200 6.86500 -0.76800 1.000 O23 O -0.87400 6.91600 -0.84500 1.000 C24 C 1.10400 6.11000 -1.98100 1.000 O25 O 0.78100 6.82500 -3.17600 1.000 C26 C 2.62500 5.99500 -1.84800 1.000 O27 O 3.20600 7.30100 -1.86200 1.000 C28 C 2.96300 5.29900 -0.52800 1.000 C29 C 4.48300 5.23400 -0.35900 1.000 O30 O 4.80000 4.48200 0.81400 1.000 O31 O 2.39500 6.03500 0.55700 1.000 C32 C -1.56100 2.90100 1.21500 1.000 O33 O -2.24300 3.79000 2.10200 1.000 C34 C -2.24200 1.53200 1.24200 1.000 O35 O -1.56000 0.64300 0.35400 1.000 C36 C -3.69900 1.67800 0.79600 1.000 C37 C -4.41400 0.33300 0.94200 1.000 C38 C -5.87100 0.48000 0.49600 1.000 C39 C -6.58600 -0.86500 0.64100 1.000 C40 C -8.04200 -0.71800 0.19600 1.000 C41 C -8.75800 -2.06300 0.34100 1.000 C42 C -10.21400 -1.91600 -0.10400 1.000 C43 C -10.93000 -3.26100 0.04100 1.000 C44 C -12.38600 -3.11400 -0.40400 1.000 C45 C -13.10100 -4.45900 -0.25900 1.000 C46 C -14.55800 -4.31300 -0.70400 1.000 C47 C -15.27300 -5.65700 -0.55900 1.000 C48 C -16.73000 -5.51100 -1.00400 1.000 C49 C -17.44500 -6.85500 -0.85900 1.000 H50 H 1.81500 -0.32900 -0.36000 1.000 H51 H 2.83100 1.07500 -0.76400 1.000 H52 H 4.33700 0.53000 1.12900 1.000 H53 H 3.32100 -0.87400 1.53300 1.000 H54 H 3.77100 -1.84400 -0.70300 1.000 H55 H 4.78800 -0.44000 -1.10800 1.000 H56 H 6.29400 -0.98500 0.78500 1.000 H57 H 5.27700 -2.38900 1.19000 1.000 H58 H 5.72800 -3.35900 -1.04700 1.000 H59 H 6.74400 -1.95500 -1.45200 1.000 H60 H 8.25000 -2.50000 0.44200 1.000 H61 H 7.23400 -3.90400 0.84600 1.000 H62 H 7.68500 -4.87400 -1.39100 1.000 H63 H 8.70100 -3.47000 -1.79500 1.000 H64 H 10.20700 -4.01500 0.09800 1.000 H65 H 9.19100 -5.41900 0.50200 1.000 H66 H 9.64200 -6.39000 -1.73500 1.000 H67 H 10.65800 -4.98500 -2.13900 1.000 H68 H 10.38300 -8.03300 -0.10900 1.000 H69 H 12.30800 -9.11100 0.98600 1.000 H70 H 14.48800 -7.96800 1.04800 1.000 H71 H 14.74300 -5.74700 0.01500 1.000 H72 H 12.82100 -4.67300 -1.08700 1.000 H73 H 0.32000 1.90800 -0.24000 1.000 H74 H -0.06900 2.26300 2.63200 1.000 H75 H 0.04400 4.71000 2.55200 1.000 H76 H 1.59600 4.03100 2.00600 1.000 H77 H 0.61600 6.69100 1.37900 1.000 H78 H 0.95200 7.87900 -0.75600 1.000 H79 H -1.29200 7.37600 -0.10400 1.000 H80 H 0.66400 5.11400 -2.02200 1.000 H81 H -0.16900 6.94100 -3.32000 1.000 H82 H 3.02000 5.41200 -2.68000 1.000 H83 H 3.02700 7.80200 -2.66900 1.000 H84 H 2.55500 4.28800 -0.53500 1.000 H85 H 4.92400 4.75000 -1.23100 1.000 H86 H 4.88100 6.24400 -0.26300 1.000 H87 H 5.74900 4.40000 0.98300 1.000 H88 H -1.59200 3.30300 0.20300 1.000 H89 H -2.18900 3.53400 3.03300 1.000 H90 H -2.21100 1.12900 2.25400 1.000 H91 H -1.54900 0.93800 -0.56600 1.000 H92 H -4.19500 2.42300 1.41800 1.000 H93 H -3.73000 1.99600 -0.24600 1.000 H94 H -3.91700 -0.41100 0.32000 1.000 H95 H -4.38300 0.01600 1.98400 1.000 H96 H -6.36700 1.22500 1.11800 1.000 H97 H -5.90200 0.79800 -0.54600 1.000 H98 H -6.08900 -1.61000 0.02000 1.000 H99 H -6.55500 -1.18200 1.68400 1.000 H100 H -8.53900 0.02700 0.81800 1.000 H101 H -8.07400 -0.40100 -0.84600 1.000 H102 H -8.26100 -2.80800 -0.28000 1.000 H103 H -8.72700 -2.38000 1.38400 1.000 H104 H -10.71100 -1.17100 0.51800 1.000 H105 H -10.24500 -1.59900 -1.14600 1.000 H106 H -10.43300 -4.00600 -0.58000 1.000 H107 H -10.89800 -3.57900 1.08400 1.000 H108 H -12.88300 -2.37000 0.21800 1.000 H109 H -12.41700 -2.79700 -1.44600 1.000 H110 H -12.60500 -5.20400 -0.88100 1.000 H111 H -13.07000 -4.77700 0.78400 1.000 H112 H -15.05500 -3.56800 -0.08200 1.000 H113 H -14.58900 -3.99500 -1.74600 1.000 H114 H -14.77600 -6.40200 -1.18100 1.000 H115 H -15.24200 -5.97500 0.48400 1.000 H116 H -17.22600 -4.76600 -0.38200 1.000 H117 H -16.76100 -5.19300 -2.04600 1.000 H118 H -16.94800 -7.60000 -1.48000 1.000 H119 H -17.41400 -7.17300 0.18400 1.000 H120 H -18.48300 -6.75100 -1.17600 1.000