# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5R6' 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 -5.05400 3.26900 0.76900 1.000 C1 C -5.19700 3.60500 -0.71800 1.000 O2 O -5.18400 5.02400 -0.89100 1.000 C3 C -6.52400 3.03900 -1.23300 1.000 O4 O -6.63500 3.28400 -2.63700 1.000 C5 C -6.56200 1.53100 -0.97300 1.000 C6 C -7.90900 0.96700 -1.42900 1.000 O7 O -6.39200 1.28600 0.42500 1.000 C8 C -5.14800 1.75200 0.95200 1.000 O9 O -4.07000 1.12000 0.25900 1.000 C10 C -3.88300 -0.25400 0.60400 1.000 C11 C -4.64100 -1.13000 -0.39200 1.000 C12 C -4.25600 -2.59300 -0.13800 1.000 C13 C -5.16800 -3.51400 -0.95100 1.000 O14 O -4.38800 -2.89100 1.25300 1.000 C15 C -2.41100 -0.57600 0.58200 1.000 C16 C -1.53800 0.36800 1.13100 1.000 O17 O -2.02800 1.52100 1.64900 1.000 C18 C -0.16400 0.12900 1.14800 1.000 C19 C 0.76900 1.11700 1.72200 1.000 O20 O 0.35100 2.03700 2.39900 1.000 C21 C 2.21500 0.97700 1.46500 1.000 C22 C 3.09100 2.02500 1.74600 1.000 O23 O 2.61900 3.18800 2.26100 1.000 C24 C 4.45400 1.87400 1.49500 1.000 C25 C 4.94300 0.69700 0.97300 1.000 C26 C 6.42300 0.56600 0.68900 1.000 C27 C 7.24500 1.28600 1.76000 1.000 O28 O 6.75500 -0.82800 0.64700 1.000 C29 C 6.68700 1.17200 -0.69900 1.000 O30 O 8.05000 0.95200 -1.07100 1.000 C31 C 5.75800 0.47800 -1.70200 1.000 N32 N 6.01100 1.00300 -3.05100 1.000 C33 C 5.13500 0.35800 -4.03900 1.000 C34 C 5.85700 2.46300 -3.08500 1.000 C35 C 6.03100 -1.02800 -1.67900 1.000 C36 C 5.91700 -1.57800 -0.23400 1.000 O37 O 4.57000 -1.54200 0.22500 1.000 C38 C 4.08600 -0.36500 0.69400 1.000 C39 C 2.71600 -0.22900 0.93300 1.000 C40 C 1.79000 -1.33600 0.63200 1.000 O41 O 2.21700 -2.45200 0.40600 1.000 C42 C 0.33400 -1.07300 0.61000 1.000 C43 C -0.54700 -1.99500 0.06700 1.000 C44 C -1.91700 -1.74500 0.05100 1.000 C45 C -2.80500 -2.79100 -0.57200 1.000 C46 C -2.34000 -4.15800 -0.14100 1.000 O47 O -1.95000 -4.33500 0.98800 1.000 O48 O -2.36000 -5.17900 -1.01300 1.000 C49 C -1.89800 -6.46700 -0.52900 1.000 H50 H -4.08700 3.62000 1.13100 1.000 H51 H -5.85100 3.75400 1.33200 1.000 H52 H -4.37100 3.16100 -1.27400 1.000 H53 H -4.37100 5.44900 -0.58600 1.000 H54 H -7.35200 3.51900 -0.71200 1.000 H55 H -7.45300 2.95100 -3.03000 1.000 H56 H -5.75800 1.04600 -1.52700 1.000 H57 H -8.03800 1.15500 -2.49500 1.000 H58 H -7.93500 -0.10600 -1.24400 1.000 H59 H -8.71200 1.45200 -0.87500 1.000 H60 H -5.09000 1.50900 2.01400 1.000 H61 H -4.27400 -0.43000 1.60600 1.000 H62 H -5.71400 -1.00300 -0.25000 1.000 H63 H -4.36800 -0.85000 -1.40900 1.000 H64 H -5.05700 -3.29000 -2.01200 1.000 H65 H -4.89100 -4.55200 -0.76800 1.000 H66 H -6.20400 -3.35600 -0.65200 1.000 H67 H -5.28300 -2.76900 1.59900 1.000 H68 H -2.18500 1.48800 2.60300 1.000 H69 H 2.59800 3.21000 3.22700 1.000 H70 H 5.13200 2.68600 1.71100 1.000 H71 H 7.03400 0.84800 2.73600 1.000 H72 H 8.30600 1.17900 1.53600 1.000 H73 H 6.98100 2.34300 1.77100 1.000 H74 H 6.47800 2.24100 -0.68000 1.000 H75 H 8.28300 1.31000 -1.93800 1.000 H76 H 4.72000 0.66400 -1.42600 1.000 H77 H 4.09400 0.54800 -3.78000 1.000 H78 H 5.34400 0.76500 -5.02900 1.000 H79 H 5.32000 -0.71600 -4.04200 1.000 H80 H 6.56600 2.91900 -2.39300 1.000 H81 H 6.05000 2.82600 -4.09400 1.000 H82 H 4.84200 2.72900 -2.79100 1.000 H83 H 5.30900 -1.53500 -2.31900 1.000 H84 H 7.03700 -1.21700 -2.05400 1.000 H85 H 6.24700 -2.61700 -0.22000 1.000 H86 H -0.16700 -2.91700 -0.34800 1.000 H87 H -2.74200 -2.71600 -1.65800 1.000 H88 H -0.86100 -6.38200 -0.20100 1.000 H89 H -2.51900 -6.78500 0.30900 1.000 H90 H -1.96500 -7.20200 -1.33100 1.000