# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ZS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 7.13200 -1.06700 0.13200 1.000 C1 C 6.94200 -0.45100 -0.89800 1.000 O2 O 7.88600 -0.43700 -1.85800 1.000 C3 C 9.10600 -1.17900 -1.59400 1.000 C4 C 8.76700 -2.65400 -1.37200 1.000 C5 C 10.05200 -1.04600 -2.78900 1.000 C6 C 9.78300 -0.61700 -0.34200 1.000 N7 N 5.78400 0.21300 -1.08200 1.000 C8 C 4.75400 0.19200 -0.04100 1.000 C9 C 3.38300 0.44200 -0.67400 1.000 O10 O 3.34300 1.76200 -1.21900 1.000 C11 C 5.04700 1.28600 0.98800 1.000 C12 C 6.33900 0.97500 1.69800 1.000 C13 C 7.53600 1.44900 1.19600 1.000 C14 C 6.32600 0.21900 2.85600 1.000 C15 C 8.72100 1.16300 1.84700 1.000 C16 C 7.51100 -0.06700 3.50800 1.000 C17 C 8.70900 0.40300 3.00200 1.000 C18 C 2.29500 0.29700 0.39300 1.000 N19 N 0.97400 0.41700 -0.23700 1.000 C20 C -0.09800 0.18100 0.73900 1.000 C21 C -1.34300 -0.26900 0.02000 1.000 O22 O -1.33800 -0.38300 -1.18800 1.000 C23 C -0.39000 1.47700 1.50000 1.000 C24 C -0.76900 2.55900 0.52200 1.000 C25 C -2.10100 2.79900 0.24000 1.000 C26 C 0.21400 3.31500 -0.08800 1.000 C27 C -2.44900 3.79200 -0.65700 1.000 C28 C -0.13400 4.30800 -0.98500 1.000 C29 C -1.46500 4.54400 -1.27100 1.000 N30 N -2.46200 -0.54600 0.71800 1.000 C31 C -3.67200 -0.98500 0.01800 1.000 C32 C -4.88300 -0.64600 0.84900 1.000 O33 O -4.74900 -0.09400 1.92000 1.000 C34 C -3.61300 -2.49700 -0.20500 1.000 C35 C -2.45700 -2.82800 -1.15100 1.000 C36 C -2.39800 -4.31800 -1.37000 1.000 O37 O -3.20000 -5.04100 -0.82700 1.000 O38 O -1.45600 -4.84200 -2.17000 1.000 N39 N -6.11600 -0.95800 0.40200 1.000 C40 C -7.29300 -0.62900 1.21000 1.000 C41 C -7.53700 -1.72800 2.21300 1.000 O42 O -6.80000 -2.69000 2.24900 1.000 C43 C -8.51400 -0.49100 0.29900 1.000 C44 C -8.32200 0.68600 -0.62300 1.000 C45 C -7.71400 0.50900 -1.85200 1.000 C46 C -8.75900 1.94100 -0.24300 1.000 C47 C -7.53800 1.58800 -2.69800 1.000 C48 C -8.58300 3.02000 -1.08800 1.000 C49 C -7.97000 2.84400 -2.31500 1.000 N50 N -8.57400 -1.64000 3.06900 1.000 H51 H 8.28500 -3.05400 -2.26300 1.000 H52 H 9.68300 -3.21100 -1.17300 1.000 H53 H 8.09300 -2.74800 -0.52100 1.000 H54 H 10.29300 0.00500 -2.94700 1.000 H55 H 10.96800 -1.60300 -2.59000 1.000 H56 H 9.57000 -1.44600 -3.68000 1.000 H57 H 9.10900 -0.71100 0.50900 1.000 H58 H 10.69900 -1.17400 -0.14400 1.000 H59 H 10.02400 0.43400 -0.50000 1.000 H60 H 5.63200 0.70400 -1.90500 1.000 H61 H 4.75500 -0.78000 0.45200 1.000 H62 H 3.21200 -0.28500 -1.46800 1.000 H63 H 3.48800 2.46100 -0.56700 1.000 H64 H 5.13400 2.24800 0.48100 1.000 H65 H 4.23500 1.33000 1.71400 1.000 H66 H 7.54500 2.04200 0.29300 1.000 H67 H 5.39000 -0.14700 3.25100 1.000 H68 H 9.65600 1.53200 1.45400 1.000 H69 H 7.50100 -0.65700 4.41200 1.000 H70 H 9.63500 0.17900 3.51100 1.000 H71 H 2.38200 -0.67900 0.87000 1.000 H72 H 2.41400 1.08000 1.14100 1.000 H73 H 0.89000 -0.20800 -1.02400 1.000 H74 H 0.21400 -0.59000 1.44300 1.000 H75 H -1.21200 1.31200 2.19700 1.000 H76 H 0.49900 1.78100 2.05200 1.000 H77 H -2.86900 2.21100 0.72000 1.000 H78 H 1.25400 3.13000 0.13600 1.000 H79 H -3.48900 3.97900 -0.87800 1.000 H80 H 0.63400 4.89900 -1.46100 1.000 H81 H -1.73800 5.32000 -1.97200 1.000 H82 H -2.46600 -0.45600 1.68400 1.000 H83 H -3.73900 -0.47800 -0.94500 1.000 H84 H -3.45700 -2.99900 0.75000 1.000 H85 H -4.55100 -2.83600 -0.64500 1.000 H86 H -2.61300 -2.32600 -2.10500 1.000 H87 H -1.51900 -2.48900 -0.71000 1.000 H88 H -1.45900 -5.80300 -2.28000 1.000 H89 H -6.22400 -1.40000 -0.45500 1.000 H90 H -7.12300 0.31000 1.73400 1.000 H91 H -8.63200 -1.40000 -0.29200 1.000 H92 H -9.40600 -0.33400 0.90600 1.000 H93 H -7.37700 -0.47200 -2.15100 1.000 H94 H -9.23900 2.07800 0.71500 1.000 H95 H -7.06200 1.45000 -3.65800 1.000 H96 H -8.92500 4.00000 -0.79100 1.000 H97 H -7.83200 3.68700 -2.97500 1.000 H98 H -9.16300 -0.87100 3.04000 1.000 H99 H -8.73000 -2.34700 3.71400 1.000