# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COZ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.49300 1.47800 -10.76600 1.000 C1 C 0.30000 1.82300 -10.31800 1.000 N2 N -0.09500 1.56400 -9.08900 1.000 C3 C 0.70500 0.92800 -8.24000 1.000 C4 C 1.98800 0.54400 -8.66800 1.000 C5 C 2.36400 0.84300 -9.98800 1.000 N6 N 3.61200 0.48500 -10.46700 1.000 N7 N 2.59000 -0.06900 -7.62100 1.000 C8 C 1.78100 -0.08300 -6.60200 1.000 N9 N 0.60600 0.52400 -6.93300 1.000 C10 C -0.55200 0.70500 -6.05500 1.000 C11 C -1.46400 -0.54700 -6.08300 1.000 O12 O -2.39500 -0.47600 -7.16400 1.000 C13 C -2.19400 -0.44800 -4.71700 1.000 O14 O -3.48500 0.14100 -4.88200 1.000 P15 P -4.55800 -0.92700 -4.33700 1.000 O16 O -4.28900 -1.21300 -2.91000 1.000 O17 O -6.04300 -0.32400 -4.49400 1.000 O18 O -4.44000 -2.28800 -5.18900 1.000 C19 C -1.28200 0.46000 -3.87100 1.000 O20 O -0.13600 0.78800 -4.67500 1.000 C21 C -0.83600 -0.28100 -2.60900 1.000 O22 O 0.01400 0.56600 -1.83400 1.000 P23 P 0.44300 -0.27300 -0.52900 1.000 O24 O -0.76600 -0.64500 0.23700 1.000 O25 O 1.22300 -1.60700 -0.98100 1.000 O26 O 1.40800 0.62600 0.39300 1.000 P27 P 1.79600 -0.27000 1.67300 1.000 O28 O 0.56500 -0.64200 2.40600 1.000 O29 O 2.55400 -1.60400 1.18400 1.000 O30 O 2.76500 0.57100 2.64400 1.000 C31 C 3.99600 0.47000 4.72200 1.000 C32 C 3.07300 -0.27300 3.75500 1.000 C33 C 5.28900 0.85300 4.00000 1.000 C34 C 3.29700 1.73600 5.22200 1.000 C35 C 4.32400 -0.43400 5.91100 1.000 O36 O 5.08500 -1.55700 5.46000 1.000 C37 C 3.04500 -0.91600 6.54500 1.000 O38 O 2.71300 -2.07700 6.43300 1.000 N39 N 2.26900 -0.05700 7.23500 1.000 C40 C 0.98300 -0.50300 7.77600 1.000 C41 C 0.30800 0.65600 8.51000 1.000 C42 C -1.01400 0.19700 9.06600 1.000 O43 O -1.38100 -0.94500 8.89200 1.000 N44 N -1.79000 1.05600 9.75700 1.000 C45 C -3.07600 0.60900 10.29700 1.000 C46 C -3.75100 1.77000 11.03200 1.000 S47 S -5.34400 1.21700 11.70100 1.000 H48 H -0.37600 2.33700 -10.98400 1.000 H49 H 3.85900 0.69700 -11.38100 1.000 H50 H 4.23800 0.02200 -9.89000 1.000 H51 H 2.00700 -0.51100 -5.63700 1.000 H52 H -1.11300 1.59500 -6.34100 1.000 H53 H -0.87000 -1.45900 -6.14300 1.000 H54 H -1.87600 -0.44800 -7.97900 1.000 H55 H -2.28200 -1.43300 -4.25900 1.000 H56 H -6.65400 -0.99400 -4.15700 1.000 H57 H -4.62100 -2.05800 -6.11100 1.000 H58 H -1.81600 1.36900 -3.59700 1.000 H59 H -0.29200 -1.18300 -2.89000 1.000 H60 H -1.71100 -0.55400 -2.01900 1.000 H61 H 2.00300 -1.32000 -1.47600 1.000 H62 H 3.34800 -1.31800 0.71200 1.000 H63 H 3.57000 -1.17500 3.39900 1.000 H64 H 2.15100 -0.54600 4.27000 1.000 H65 H 5.81500 -0.05000 3.69200 1.000 H66 H 5.05000 1.45100 3.12100 1.000 H67 H 5.92300 1.43100 4.67200 1.000 H68 H 2.31100 1.47800 5.60900 1.000 H69 H 3.89100 2.19000 6.01500 1.000 H70 H 3.19000 2.44100 4.39800 1.000 H71 H 4.90400 0.12500 6.64500 1.000 H72 H 4.53700 -2.02400 4.81400 1.000 H73 H 2.56300 0.85600 7.37400 1.000 H74 H 0.34300 -0.83900 6.96000 1.000 H75 H 1.14700 -1.32700 8.47100 1.000 H76 H 0.94800 0.99100 9.32600 1.000 H77 H 0.14400 1.47900 7.81500 1.000 H78 H -1.49600 1.97000 9.89600 1.000 H79 H -3.71600 0.27400 9.48100 1.000 H80 H -2.91200 -0.21300 10.99200 1.000 H81 H -3.11100 2.10500 11.84700 1.000 H82 H -3.91500 2.59300 10.33700 1.000 H83 H -5.75700 2.35400 12.28900 1.000