# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CUY' 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 16.31300 0.38000 0.00000 1.000 C1 C 15.05200 -0.48500 -0.00000 1.000 C2 C 13.81500 0.41600 0.00000 1.000 C3 C 12.55400 -0.45000 -0.00000 1.000 C4 C 11.31700 0.45100 0.00000 1.000 C5 C 10.05500 -0.41400 -0.00000 1.000 C6 C 8.81900 0.48700 0.00000 1.000 C7 C 7.55700 -0.37900 -0.00000 1.000 C8 C 6.32100 0.52200 0.00000 1.000 C9 C 5.05900 -0.34300 -0.00000 1.000 C10 C 3.82200 0.55800 0.00000 1.000 C11 C 2.56100 -0.30800 -0.00000 1.000 C12 C 1.32400 0.59300 0.00000 1.000 C13 C 0.06200 -0.27200 -0.00000 1.000 C14 C -1.17400 0.62900 0.00000 1.000 C15 C -2.43600 -0.23700 -0.00000 1.000 O16 O -3.60900 0.61800 0.00000 1.000 C17 C -4.80600 0.01000 0.00000 1.000 O18 O -4.87100 -1.19600 -0.00100 1.000 C19 C -6.06900 0.83300 0.00000 1.000 C20 C -7.28400 -0.09700 -0.00000 1.000 C21 C -8.56600 0.73800 0.00000 1.000 C22 C -9.78000 -0.19300 -0.00000 1.000 C23 C -11.06200 0.64200 0.00000 1.000 C24 C -12.27700 -0.28800 -0.00000 1.000 C25 C -13.55900 0.54700 0.00000 1.000 C26 C -14.77400 -0.38400 -0.00000 1.000 C27 C -16.05600 0.45100 0.00000 1.000 C28 C -17.27000 -0.47900 -0.00000 1.000 C29 C -18.55200 0.35600 0.00000 1.000 C30 C -19.76700 -0.57400 -0.00000 1.000 C31 C -21.04900 0.26100 0.00000 1.000 C32 C -22.26400 -0.66900 -0.00000 1.000 C33 C -23.54500 0.16600 0.00000 1.000 C34 C -24.76000 -0.76500 -0.00000 1.000 C35 C -26.04200 0.07000 0.00000 1.000 H36 H 16.32200 1.01000 -0.89000 1.000 H37 H 16.32200 1.00900 0.89100 1.000 H38 H 15.04300 -1.11400 -0.89100 1.000 H39 H 15.04300 -1.11500 0.88900 1.000 H40 H 13.82400 1.04400 0.89100 1.000 H41 H 13.82400 1.04600 -0.88900 1.000 H42 H 12.54500 -1.07900 -0.89100 1.000 H43 H 12.54500 -1.07900 0.88900 1.000 H44 H 11.32600 1.08000 0.89100 1.000 H45 H 11.32600 1.08100 -0.88900 1.000 H46 H 10.04600 -1.04300 -0.89100 1.000 H47 H 10.04600 -1.04400 0.88900 1.000 H48 H 8.82800 1.11500 0.89100 1.000 H49 H 8.82800 1.11600 -0.88900 1.000 H50 H 7.54800 -1.00800 -0.89100 1.000 H51 H 7.54800 -1.00800 0.89000 1.000 H52 H 6.33000 1.15100 0.89100 1.000 H53 H 6.33000 1.15200 -0.88900 1.000 H54 H 5.05000 -0.97200 -0.89100 1.000 H55 H 5.05000 -0.97300 0.89000 1.000 H56 H 3.83100 1.18600 0.89100 1.000 H57 H 3.83100 1.18700 -0.88900 1.000 H58 H 2.55200 -0.93700 -0.89100 1.000 H59 H 2.55200 -0.93800 0.89000 1.000 H60 H 1.33300 1.22200 0.89100 1.000 H61 H 1.33300 1.22300 -0.88900 1.000 H62 H 0.05400 -0.90100 -0.89100 1.000 H63 H 0.05400 -0.90200 0.89000 1.000 H64 H -1.16500 1.25700 0.89100 1.000 H65 H -1.16500 1.25800 -0.88900 1.000 H66 H -2.44500 -0.86600 -0.89000 1.000 H67 H -2.44500 -0.86700 0.89000 1.000 H68 H -6.09300 1.46100 0.89100 1.000 H69 H -6.09300 1.46200 -0.88900 1.000 H70 H -7.26000 -0.72600 -0.89000 1.000 H71 H -7.26000 -0.72700 0.89000 1.000 H72 H -8.59000 1.36600 0.89100 1.000 H73 H -8.59000 1.36700 -0.88900 1.000 H74 H -9.75600 -0.82100 -0.89000 1.000 H75 H -9.75600 -0.82200 0.89000 1.000 H76 H -11.08600 1.27100 0.89100 1.000 H77 H -11.08600 1.27100 -0.88900 1.000 H78 H -12.25300 -0.91700 -0.89100 1.000 H79 H -12.25300 -0.91800 0.89000 1.000 H80 H -13.58300 1.17500 0.89100 1.000 H81 H -13.58300 1.17600 -0.88900 1.000 H82 H -14.75000 -1.01200 -0.89100 1.000 H83 H -16.08000 1.08000 0.89100 1.000 H84 H -17.24600 -1.10700 -0.89100 1.000 H85 H -17.24600 -1.10800 0.88900 1.000 H86 H -18.57600 0.98500 0.89100 1.000 H87 H -18.57600 0.98500 -0.89000 1.000 H88 H -19.74300 -1.20300 -0.89100 1.000 H89 H -19.74300 -1.20400 0.88900 1.000 H90 H -21.07300 0.88900 0.89000 1.000 H91 H -21.07300 0.89000 -0.89000 1.000 H92 H -22.24000 -1.29800 -0.89100 1.000 H93 H -22.24000 -1.29900 0.88900 1.000 H94 H -23.56900 0.79400 0.89000 1.000 H95 H -23.56900 0.79500 -0.89000 1.000 H96 H -24.73600 -1.39300 -0.89100 1.000 H97 H -24.73600 -1.39400 0.88900 1.000 H98 H -26.06600 0.69900 0.89000 1.000 H99 H -26.06600 0.70000 -0.89000 1.000 H100 H -26.90700 -0.59300 -0.00000 1.000 C101 C 17.55000 -0.52100 -0.00000 1.000 C102 C 18.81200 0.34500 0.00000 1.000 C103 C 20.04800 -0.55600 -0.00000 1.000 C104 C 21.31000 0.30900 0.00000 1.000 C105 C 22.54600 -0.59200 -0.00000 1.000 C106 C 23.80800 0.27400 0.00000 1.000 C107 C 25.04500 -0.62700 -0.00000 1.000 C108 C 26.30600 0.23800 0.00000 1.000 H109 H -14.75000 -1.01300 0.88900 1.000 H110 H -16.08000 1.08100 -0.88900 1.000 H111 H 17.54100 -1.15000 0.88900 1.000 H112 H 17.54100 -1.15000 -0.89100 1.000 H113 H 18.82100 0.97500 -0.89000 1.000 H114 H 18.82100 0.97400 0.89100 1.000 H115 H 20.03900 -1.18600 0.88900 1.000 H116 H 20.03900 -1.18500 -0.89100 1.000 H117 H 21.31900 0.93900 -0.89000 1.000 H118 H 21.31900 0.93800 0.89100 1.000 H119 H 22.53800 -1.22100 0.88900 1.000 H120 H 22.53800 -1.22000 -0.89100 1.000 H121 H 23.81700 0.90400 -0.89000 1.000 H122 H 23.81700 0.90300 0.89100 1.000 H123 H 25.03600 -1.25700 0.88900 1.000 H124 H 25.03600 -1.25600 -0.89100 1.000 H125 H 26.31500 0.86800 -0.89000 1.000 H126 H 26.31500 0.86700 0.89000 1.000 H127 H 27.18700 -0.40300 -0.00000 1.000