# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CRT' 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 -2.36900 -0.87000 16.74600 1.000 O1 O -2.53400 0.08600 15.69700 1.000 C2 C -3.53900 -0.42900 14.82200 1.000 C3 C -3.07700 -1.77000 14.24900 1.000 C4 C -4.84000 -0.62900 15.60200 1.000 C5 C -3.77600 0.55900 13.67900 1.000 C6 C -2.49500 0.75500 12.91100 1.000 C7 C -2.44200 0.45300 11.61000 1.000 C8 C -1.23700 0.63800 10.88800 1.000 C9 C -0.01400 1.17600 11.58600 1.000 C10 C -1.18300 0.33000 9.56500 1.000 C11 C 0.03900 0.40000 8.87600 1.000 C12 C 0.07600 0.19400 7.52700 1.000 C13 C 1.29500 0.26400 6.84000 1.000 C14 C 2.56600 0.56600 7.59100 1.000 C15 C 1.33200 0.05600 5.47800 1.000 C16 C 2.55600 0.07500 4.80100 1.000 C17 C 2.58400 -0.03000 3.42600 1.000 C18 C 3.80700 -0.01200 2.74900 1.000 C19 C 5.09400 0.12300 3.52100 1.000 C20 C 3.83600 -0.11800 1.37300 1.000 C21 C 5.05400 -0.04500 0.69200 1.000 C22 C 5.07300 -0.03700 -0.68800 1.000 C23 C 3.87500 -0.10200 -1.40400 1.000 C24 C 3.89400 -0.09400 -2.78400 1.000 C25 C 5.20800 -0.01500 -3.51800 1.000 C26 C 2.69600 -0.16000 -3.50000 1.000 C27 C 2.70700 -0.05100 -4.87500 1.000 C28 C 1.52800 -0.24500 -5.60200 1.000 C29 C 1.53900 -0.13700 -6.97500 1.000 C30 C 2.82200 0.19000 -7.69500 1.000 C31 C 0.35800 -0.33000 -7.70300 1.000 C32 C 0.38600 -0.31100 -9.06800 1.000 C33 C -0.78100 -0.58900 -9.79900 1.000 C34 C -0.75300 -0.57000 -11.15800 1.000 C35 C 0.52900 -0.24900 -11.88100 1.000 C36 C -1.93000 -0.85100 -11.89600 1.000 C37 C -1.92600 -0.74200 -13.22800 1.000 C38 C -3.13500 -1.16800 -14.02200 1.000 C39 C -3.67400 0.02700 -14.80900 1.000 C40 C -2.59300 0.54100 -15.76200 1.000 C41 C -4.90100 -0.40400 -15.61500 1.000 O42 O -4.04300 1.06800 -13.90100 1.000 C43 C -4.48000 2.17200 -14.69500 1.000 H44 H -2.04600 -1.82100 16.32300 1.000 H45 H -1.61800 -0.51100 17.45000 1.000 H46 H -3.31800 -1.00700 17.26500 1.000 H47 H -2.08600 -1.65600 13.80900 1.000 H48 H -3.03700 -2.51200 15.04700 1.000 H49 H -3.77900 -2.09900 13.48300 1.000 H50 H -5.09800 0.29300 16.12100 1.000 H51 H -5.64100 -0.89300 14.91100 1.000 H52 H -4.70900 -1.43000 16.32900 1.000 H53 H -4.54300 0.16500 13.01200 1.000 H54 H -4.10500 1.51400 14.08800 1.000 H55 H -1.61900 1.14100 13.41200 1.000 H56 H -3.31800 0.06800 11.10900 1.000 H57 H 0.58500 0.34600 11.96000 1.000 H58 H 0.57500 1.76400 10.88400 1.000 H59 H -0.32100 1.80600 12.42100 1.000 H60 H -2.08000 0.03200 9.04300 1.000 H61 H 0.95000 0.61700 9.41400 1.000 H62 H -0.83400 -0.02100 6.98900 1.000 H63 H 2.49800 0.15900 8.60000 1.000 H64 H 3.41100 0.11200 7.07200 1.000 H65 H 2.71000 1.64600 7.64300 1.000 H66 H 0.41600 -0.12000 4.93400 1.000 H67 H 3.47800 0.17200 5.35400 1.000 H68 H 1.66200 -0.12800 2.87200 1.000 H69 H 4.90200 0.64900 4.45600 1.000 H70 H 5.49500 -0.86600 3.73600 1.000 H71 H 5.81500 0.68600 2.92900 1.000 H72 H 2.91700 -0.25800 0.82300 1.000 H73 H 5.98000 0.00500 1.24500 1.000 H74 H 6.01400 0.01900 -1.21400 1.000 H75 H 2.93400 -0.15900 -0.87700 1.000 H76 H 5.03100 -0.10800 -4.59000 1.000 H77 H 5.68300 0.94300 -3.31000 1.000 H78 H 5.85900 -0.82300 -3.18600 1.000 H79 H 1.76100 -0.29600 -2.97700 1.000 H80 H 3.62700 0.18200 -5.39100 1.000 H81 H 0.60800 -0.47900 -5.08600 1.000 H82 H 2.61800 0.33000 -8.75600 1.000 H83 H 3.24700 1.10500 -7.28200 1.000 H84 H 3.53000 -0.62900 -7.56600 1.000 H85 H -0.57400 -0.49500 -7.18500 1.000 H86 H 1.30500 -0.08100 -9.58600 1.000 H87 H -1.70000 -0.81900 -9.28100 1.000 H88 H 0.34400 -0.21900 -12.95500 1.000 H89 H 0.90100 0.72000 -11.54900 1.000 H90 H 1.27200 -1.01700 -11.66200 1.000 H91 H -2.83000 -1.15200 -11.38100 1.000 H92 H -1.05700 -0.35000 -13.73500 1.000 H93 H -2.85300 -1.96100 -14.71400 1.000 H94 H -3.90500 -1.53400 -13.34300 1.000 H95 H -1.78800 0.99700 -15.18500 1.000 H96 H -2.19600 -0.29000 -16.34400 1.000 H97 H -3.02400 1.28200 -16.43500 1.000 H98 H -5.71200 -0.66000 -14.93300 1.000 H99 H -5.21600 0.41300 -16.26300 1.000 H100 H -4.64900 -1.27300 -16.22300 1.000 H101 H -4.77700 2.99400 -14.04300 1.000 H102 H -3.66700 2.49900 -15.34300 1.000 H103 H -5.33100 1.86800 -15.30500 1.000