# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5H' 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 -6.82000 -2.32300 0.59700 1.000 C1 C -7.98700 -2.64300 -0.33900 1.000 C2 C -7.45200 -2.91500 -1.74700 1.000 C3 C -6.71200 -1.67900 -2.25900 1.000 C4 C -5.54400 -1.35900 -1.32300 1.000 C5 C -6.07900 -1.08700 0.08400 1.000 C6 C -4.91200 -0.76700 1.02000 1.000 C7 C -4.24600 0.53800 0.57800 1.000 C8 C -5.20400 1.68400 0.77900 1.000 O9 O -4.94900 2.55000 1.58200 1.000 O10 O -6.34000 1.74100 0.06700 1.000 O11 O -3.06800 0.75900 1.35700 1.000 C12 C -2.08000 1.55600 0.70100 1.000 C13 C -1.05600 0.64500 0.01800 1.000 O14 O -1.70500 -0.12400 -0.99800 1.000 C15 C -1.36000 2.43000 1.73300 1.000 O16 O -0.78900 1.60000 2.74600 1.000 C17 C -0.25100 3.22200 1.03500 1.000 C18 C 0.51200 4.05200 2.07000 1.000 O19 O 1.46900 4.87900 1.40500 1.000 O20 O 0.64900 2.31600 0.39400 1.000 C21 C 0.04100 1.50600 -0.61400 1.000 O22 O 1.02900 0.66000 -1.20600 1.000 C23 C 1.95500 1.34900 -2.04800 1.000 C24 C 1.36900 1.47100 -3.45700 1.000 C25 C 2.36100 2.20900 -4.35900 1.000 C26 C 3.67500 1.42800 -4.41900 1.000 C27 C 4.26000 1.30500 -3.01000 1.000 C28 C 3.26900 0.56800 -2.10800 1.000 O29 O 3.81600 0.45400 -0.79300 1.000 C30 C 4.68000 -0.67100 -0.61800 1.000 O31 O 3.90300 -1.87000 -0.59400 1.000 C32 C 2.91700 -1.90600 0.44000 1.000 C33 C 2.13200 -3.21600 0.35100 1.000 F34 F 1.40000 -3.24100 -0.84100 1.000 F35 F 3.02200 -4.29500 0.37500 1.000 F36 F 1.25700 -3.30900 1.43900 1.000 C37 C 3.60600 -1.81400 1.80400 1.000 O38 O 4.46100 -2.94500 1.98300 1.000 C39 C 4.43800 -0.53000 1.86200 1.000 O40 O 5.14300 -0.47200 3.10300 1.000 C41 C 5.44000 -0.53000 0.70300 1.000 O42 O 6.17200 0.69700 0.70500 1.000 H43 H -7.20100 -2.12900 1.59900 1.000 H44 H -6.13500 -3.17100 0.62600 1.000 H45 H -8.51500 -3.52400 0.02600 1.000 H46 H -8.67200 -1.79600 -0.36800 1.000 H47 H -6.76800 -3.76300 -1.71800 1.000 H48 H -8.28400 -3.14300 -2.41400 1.000 H49 H -6.33100 -1.87300 -3.26200 1.000 H50 H -7.39700 -0.83100 -2.28800 1.000 H51 H -4.86000 -2.20700 -1.29400 1.000 H52 H -5.01700 -0.47800 -1.68800 1.000 H53 H -6.76400 -0.23900 0.05500 1.000 H54 H -5.28200 -0.65900 2.03900 1.000 H55 H -4.18400 -1.57700 0.98300 1.000 H56 H -3.97700 0.46900 -0.47600 1.000 H57 H -6.92300 2.49500 0.23100 1.000 H58 H -2.55900 2.19100 -0.04500 1.000 H59 H -0.61400 -0.02500 0.75600 1.000 H60 H -1.11500 -0.72500 -1.47300 1.000 H61 H -2.07200 3.12000 2.18700 1.000 H62 H -0.31600 2.08800 3.43500 1.000 H63 H -0.69200 3.88500 0.29000 1.000 H64 H -0.18900 4.67900 2.62100 1.000 H65 H 1.02600 3.38600 2.76300 1.000 H66 H 1.99100 5.43400 2.00100 1.000 H67 H -0.39600 2.14600 -1.38100 1.000 H68 H 2.14200 2.34400 -1.64500 1.000 H69 H 1.18200 0.47600 -3.86000 1.000 H70 H 0.43300 2.02800 -3.41400 1.000 H71 H 1.94400 2.29600 -5.36200 1.000 H72 H 2.54800 3.20400 -3.95500 1.000 H73 H 3.48800 0.43200 -4.82200 1.000 H74 H 4.38100 1.95300 -5.06100 1.000 H75 H 5.19600 0.74900 -3.05300 1.000 H76 H 4.44700 2.30100 -2.60700 1.000 H77 H 3.08200 -0.42800 -2.51100 1.000 H78 H 5.39100 -0.71500 -1.44400 1.000 H79 H 2.23500 -1.06400 0.32000 1.000 H80 H 2.85300 -1.79700 2.59200 1.000 H81 H 4.00100 -3.79500 1.95300 1.000 H82 H 3.78000 0.33500 1.77500 1.000 H83 H 5.69200 0.31700 3.20800 1.000 H84 H 6.12900 -1.36700 0.81800 1.000 H85 H 6.82300 0.76700 -0.00700 1.000