# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XX' 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 4.43600 -1.45200 0.12900 1.000 C1 C 6.77000 -0.56200 0.17100 1.000 C2 C -14.00400 2.14700 0.36900 1.000 C3 C -13.08400 1.20400 -0.41000 1.000 C4 C -11.77600 1.01700 0.36000 1.000 C5 C -8.62800 -1.05600 -0.42800 1.000 C6 C -6.39900 -2.18600 -0.43700 1.000 C7 C -5.09000 -2.37300 0.33300 1.000 C8 C -4.18500 -3.30100 -0.43400 1.000 C9 C -2.15500 -4.51300 -0.73800 1.000 C10 C -0.82100 -4.74800 -0.02700 1.000 O11 O -2.97400 -3.61300 0.05400 1.000 C12 C -9.54700 -0.11300 0.35100 1.000 C13 C -7.31900 -1.24300 0.34200 1.000 C14 C 1.26200 -3.59300 0.02800 1.000 C15 C 2.10200 -2.34200 0.08600 1.000 C16 C 3.58400 -2.72200 0.06900 1.000 C17 C 5.91800 -1.83100 0.11100 1.000 C18 C 8.25200 -0.94100 0.15400 1.000 C19 C 9.10400 0.32800 0.21300 1.000 C20 C 10.58600 -0.05100 0.19600 1.000 C21 C 11.43800 1.21900 0.25600 1.000 C22 C 12.91600 0.84800 0.11300 1.000 C23 C 13.75700 2.12400 0.04700 1.000 C24 C 15.23500 1.75400 -0.09500 1.000 C25 C 11.21500 1.92000 1.59700 1.000 C26 C -1.08300 -5.25300 1.39300 1.000 C27 C -15.31300 2.33400 -0.40100 1.000 C28 C -10.85600 0.07400 -0.41900 1.000 O29 O -0.07700 -3.50300 0.03100 1.000 O30 O 1.79500 -4.67600 -0.02300 1.000 O31 O -4.54900 -3.76600 -1.48800 1.000 H32 H 4.21200 -0.82300 -0.73300 1.000 H33 H 4.21100 -0.90600 1.04500 1.000 H34 H 6.54600 0.06700 -0.69100 1.000 H35 H 6.54500 -0.01600 1.08700 1.000 H36 H -14.21700 1.71900 1.34800 1.000 H37 H -13.51400 3.11200 0.49200 1.000 H38 H -13.57500 0.23800 -0.53400 1.000 H39 H -12.87200 1.63200 -1.39000 1.000 H40 H -11.28500 1.98200 0.48300 1.000 H41 H -11.98800 0.58900 1.33900 1.000 H42 H -9.11800 -2.02200 -0.55200 1.000 H43 H -8.41500 -0.62800 -1.40800 1.000 H44 H -6.18600 -1.75800 -1.41700 1.000 H45 H -6.88900 -3.15100 -0.56100 1.000 H46 H -4.60000 -1.40700 0.45700 1.000 H47 H -5.30300 -2.80000 1.31300 1.000 H48 H -1.97100 -4.07000 -1.71700 1.000 H49 H -2.67400 -5.46300 -0.86100 1.000 H50 H -0.24300 -5.49200 -0.57600 1.000 H51 H -9.76000 -0.54100 1.33100 1.000 H52 H -9.05700 0.85300 0.47500 1.000 H53 H -6.82900 -0.27700 0.46600 1.000 H54 H -7.53200 -1.67100 1.32200 1.000 H55 H 1.87700 -1.71400 -0.77500 1.000 H56 H 1.87700 -1.79700 1.00300 1.000 H57 H 3.80900 -3.26700 -0.84700 1.000 H58 H 3.80800 -3.35000 0.93100 1.000 H59 H 6.14200 -2.46000 0.97300 1.000 H60 H 6.14300 -2.37700 -0.80500 1.000 H61 H 8.47600 -1.57000 1.01500 1.000 H62 H 8.47700 -1.48700 -0.76300 1.000 H63 H 8.88000 0.95700 -0.64800 1.000 H64 H 8.87900 0.87400 1.13000 1.000 H65 H 10.81000 -0.68000 1.05800 1.000 H66 H 10.81100 -0.59700 -0.72000 1.000 H67 H 11.15100 1.88700 -0.55600 1.000 H68 H 13.22500 0.25300 0.97200 1.000 H69 H 13.05900 0.27100 -0.80000 1.000 H70 H 13.44700 2.72000 -0.81100 1.000 H71 H 13.61400 2.70200 0.96100 1.000 H72 H 15.54500 1.15800 0.76300 1.000 H73 H 15.37800 1.17700 -1.00900 1.000 H74 H 11.50200 1.25100 2.40900 1.000 H75 H 11.82200 2.82400 1.63900 1.000 H76 H 10.16300 2.18400 1.69900 1.000 H77 H -1.66100 -4.51000 1.94200 1.000 H78 H -1.64200 -6.18800 1.35000 1.000 H79 H -0.13300 -5.42100 1.90000 1.000 H80 H -15.10000 2.76100 -1.38100 1.000 H81 H -15.80300 1.36800 -0.52500 1.000 H82 H -11.34600 -0.89200 -0.54300 1.000 H83 H -10.64300 0.50200 -1.39900 1.000 C84 C -16.23200 3.27600 0.37700 1.000 C85 C -17.54100 3.46400 -0.39300 1.000 C86 C -18.46100 4.40600 0.38600 1.000 C87 C -19.77000 4.59400 -0.38400 1.000 C88 C 16.07600 3.03000 -0.16100 1.000 C89 C 17.55400 2.66000 -0.30400 1.000 C90 C 18.39600 3.93600 -0.37000 1.000 C91 C 19.87300 3.56600 -0.51200 1.000 C92 C 20.71500 4.84200 -0.57800 1.000 H93 H -16.44500 2.84900 1.35700 1.000 H94 H -15.74200 4.24200 0.50100 1.000 H95 H -17.32800 3.89100 -1.37200 1.000 H96 H -18.03100 2.49800 -0.51600 1.000 H97 H -18.67400 3.97900 1.36600 1.000 H98 H -17.97100 5.37200 0.51000 1.000 H99 H -19.55700 5.02100 -1.36300 1.000 H100 H -20.26000 3.62800 -0.50700 1.000 H101 H 15.76700 3.62600 -1.02000 1.000 H102 H 15.93300 3.60700 0.75200 1.000 H103 H 17.86400 2.06400 0.55500 1.000 H104 H 17.69700 2.08300 -1.21700 1.000 H105 H 18.08600 4.53200 -1.22800 1.000 H106 H 18.25200 4.51300 0.54400 1.000 H107 H 20.18300 2.97000 0.34700 1.000 H108 H 20.01700 2.98900 -1.42600 1.000 H109 H 20.40500 5.43800 -1.43600 1.000 H110 H 20.57100 5.41900 0.33600 1.000 H111 H 21.76700 4.57800 -0.67900 1.000 C112 C -20.68900 5.53600 0.39500 1.000 H113 H -20.90200 5.10900 1.37500 1.000 H114 H -20.19900 6.50200 0.51900 1.000 H115 H -21.62200 5.67000 -0.15300 1.000