# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5K' 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 -1.78000 -2.41700 -1.64000 1.000 C1 C -0.56700 -3.22200 -1.16500 1.000 C2 C 0.08600 -3.91400 -2.36300 1.000 C3 C -2.39200 -1.67900 -0.44500 1.000 C4 C -4.31800 1.48100 1.78600 1.000 C5 C -3.46600 2.66200 2.25400 1.000 C6 C -4.19600 3.97100 1.94700 1.000 C7 C -4.43500 4.08000 0.44000 1.000 C8 C -5.28700 2.89900 -0.02800 1.000 C9 C -4.55700 1.59000 0.27900 1.000 C10 C -5.40900 0.40800 -0.18900 1.000 C11 C -4.61600 -0.88900 -0.02400 1.000 C12 C -5.49400 -2.06300 -0.37700 1.000 O13 O -6.57100 -2.34400 0.37300 1.000 O14 O -5.22800 -2.75000 -1.33400 1.000 O15 O -3.48000 -0.86700 -0.89100 1.000 C16 C -1.32100 -0.79200 0.19600 1.000 O17 O -1.86000 -0.15300 1.35500 1.000 O18 O -1.36800 -1.46900 -2.62700 1.000 O19 O 1.14600 -4.75700 -1.90600 1.000 O20 O 0.37600 -2.34100 -0.55100 1.000 C21 C -0.12600 -1.65900 0.60000 1.000 O22 O 0.90100 -0.83000 1.14800 1.000 C23 C 1.98400 -1.55700 1.73300 1.000 C24 C 1.64500 -1.89600 3.18600 1.000 C25 C 2.80400 -2.67400 3.81200 1.000 C26 C 4.07300 -1.81900 3.77100 1.000 C27 C 4.41200 -1.48000 2.31800 1.000 C28 C 5.68000 -0.62600 2.27700 1.000 C29 C 3.25300 -0.70200 1.69200 1.000 O30 O 3.56900 -0.38600 0.33500 1.000 C31 C 4.08500 0.93500 0.15200 1.000 O32 O 3.02900 1.88500 0.31000 1.000 C33 C 1.94100 1.70500 -0.59900 1.000 C34 C 0.86300 2.75400 -0.31800 1.000 F35 F -0.14300 2.65900 -1.28600 1.000 F36 F 0.31400 2.53200 0.94900 1.000 F37 F 1.43300 4.03100 -0.36200 1.000 C38 C 2.44600 1.86200 -2.03500 1.000 O39 O 2.95000 3.18600 -2.22200 1.000 C40 C 3.56600 0.84800 -2.28800 1.000 O41 O 4.09300 1.03600 -3.60300 1.000 C42 C 4.67600 1.06100 -1.25500 1.000 O43 O 5.69300 0.07300 -1.43600 1.000 H44 H -2.52000 -3.09200 -2.06900 1.000 H45 H -0.88900 -3.97100 -0.44200 1.000 H46 H -0.65800 -4.51600 -2.88400 1.000 H47 H 0.48700 -3.16300 -3.04300 1.000 H48 H -2.75200 -2.40300 0.28600 1.000 H49 H -3.79800 0.54800 2.00500 1.000 H50 H -5.27500 1.49400 2.30800 1.000 H51 H -3.29600 2.58500 3.32800 1.000 H52 H -2.50900 2.64900 1.73300 1.000 H53 H -5.15300 3.98400 2.46800 1.000 H54 H -3.58900 4.81300 2.28000 1.000 H55 H -4.95500 5.01300 0.22100 1.000 H56 H -3.47700 4.06700 -0.08200 1.000 H57 H -6.24400 2.91200 0.49300 1.000 H58 H -5.45700 2.97700 -1.10200 1.000 H59 H -3.60000 1.57700 -0.24200 1.000 H60 H -6.31900 0.35700 0.40900 1.000 H61 H -5.67200 0.54300 -1.23800 1.000 H62 H -4.28200 -0.98300 1.00900 1.000 H63 H -7.10400 -3.10600 0.10800 1.000 H64 H -0.99700 -0.03600 -0.51900 1.000 H65 H -1.26200 0.48400 1.76800 1.000 H66 H -0.97000 -1.86800 -3.41300 1.000 H67 H 1.60600 -5.22900 -2.61400 1.000 H68 H -0.44100 -2.38800 1.34600 1.000 H69 H 2.14800 -2.47800 1.17400 1.000 H70 H 1.48100 -0.97500 3.74500 1.000 H71 H 0.74100 -2.50500 3.21500 1.000 H72 H 2.56200 -2.91500 4.84700 1.000 H73 H 2.96800 -3.59500 3.25300 1.000 H74 H 3.90900 -0.89800 4.33000 1.000 H75 H 4.89800 -2.37400 4.21700 1.000 H76 H 4.57600 -2.40100 1.75900 1.000 H77 H 6.49200 -1.15600 2.77600 1.000 H78 H 5.95500 -0.43300 1.24000 1.000 H79 H 5.49800 0.32100 2.78600 1.000 H80 H 3.08900 0.21900 2.25100 1.000 H81 H 4.86200 1.12800 0.89100 1.000 H82 H 1.52000 0.70800 -0.46800 1.000 H83 H 1.62700 1.68100 -2.73100 1.000 H84 H 2.29400 3.88100 -2.07300 1.000 H85 H 3.17000 -0.16300 -2.19400 1.000 H86 H 4.80800 0.42600 -3.83100 1.000 H87 H 5.10600 2.05500 -1.38100 1.000 H88 H 6.43000 0.14900 -0.81400 1.000