70

C      0.035780   -3.893340   -0.626470
C      0.437650   -3.325970    0.581920
C      0.383810   -1.951590    0.801740
C     -0.112070   -1.107490   -0.215240
C     -0.539730   -1.676790   -1.417250
C     -0.457630   -3.057630   -1.655320
C     -0.198450    0.384600   -0.107400
C      1.007690    1.141320   -0.160100
C      2.196400    0.597910   -0.728420
C      3.356150    1.325470   -0.840030
H      4.201500    0.868980   -1.337130
C      3.449440    2.661440   -0.332920
C      2.274210    3.193100    0.288210
C      1.112370    2.464620    0.362710
H      0.795550   -3.970530    1.376670
H     -0.925580   -1.044800   -2.210780
H      2.289450    4.179310    0.732500
H      0.269350    2.892900    0.892990
O     -0.860660   -3.504080   -2.861030
H     -0.595130   -4.464400   -2.919540
S      0.051540   -5.693890   -0.784440
O     -1.246600   -6.173920   -0.245170
O      0.178080   -5.928960   -2.270970
O      1.235300   -6.165770   -0.026260
N      4.600150    3.378450   -0.413500
C      5.819750    2.809070   -1.013730
H      6.666840    3.344110   -0.577960
H      5.917730    1.768500   -0.691590
C      5.875720    2.908420   -2.542440
H      5.863160    3.951860   -2.871700
H      6.802010    2.448690   -2.903820
H      5.032470    2.391610   -3.011240
S      0.907390   -1.346040    2.423300
O      2.310870   -0.845100    2.228350
O      0.854900   -2.525970    3.324140
O     -0.042170   -0.259450    2.777550
C     -1.499940    0.963330   -0.062650
C     -1.786140    2.274500   -0.544800
C     -2.615410    0.220450    0.427610
C     -3.049970    2.811820   -0.502700
H     -1.002010    2.845440   -1.029140
C     -3.877700    0.752840    0.499220
H     -2.454000   -0.785290    0.798620
C     -4.150910    2.088310    0.057990
H     -3.203190    3.788260   -0.940730
H     -4.668920    0.135930    0.902860
N     -5.389760    2.639700    0.149000
C     -5.606570    4.007820   -0.379330
H     -4.828660    4.650610    0.043770
H     -5.458780    3.996210   -1.467700
C     -6.961310    4.634700   -0.063400
H     -6.958980    5.648690   -0.476070
H     -7.796570    4.096220   -0.520540
H     -7.137020    4.715630    1.013870
C     -6.546560    1.829920    0.564480
H     -6.248120    1.200350    1.405420
H     -7.302620    2.506870    0.958940
C     -7.137440    0.984010   -0.568710
H     -7.487960    1.617300   -1.390540
H     -6.399260    0.282270   -0.970030
H     -7.990160    0.407810   -0.193650
C      4.665370    4.778000    0.045440
H      5.720360    5.007930    0.208190
H      4.181970    4.854000    1.024240
C      4.059780    5.789560   -0.934120
H      4.134430    6.796750   -0.510040
H      4.592390    5.781280   -1.889850
H      3.003510    5.579710   -1.128930
H      2.173660   -0.405540   -1.139030
Na     4.432130   -0.272670    2.312100
47

C     -0.157420   -3.894602   -0.578410
C      0.069863   -3.339821    0.695631
C      0.049406   -1.973691    0.962810
C     -0.204015   -1.095536   -0.118919
C     -0.446267   -1.589026   -1.388020
C     -0.429167   -2.983857   -1.627496
C     -0.258748    0.397009    0.054491
C      0.993206    1.124779   -0.166295
C      2.117421    0.526687   -0.751455
C      3.285078    1.242155   -0.950721
H      4.148271    0.730387   -1.402812
C      3.382337    2.608799   -0.562205
C      2.230644    3.206217    0.018440
C      1.070672    2.474097    0.211643
H      0.269371   -4.041387    1.539731
H     -0.663077   -0.913706   -2.232188
H      2.233434    4.266967    0.310242
H      0.185659    2.950728    0.668093
O     -0.683811   -3.327701   -2.913064
H     -0.727516   -4.296005   -3.032027
S     -0.016959   -5.524092   -0.752481
O     -0.004779   -6.201073    0.442716
O     -0.804105   -5.956039   -1.807040
O      1.699018   -5.546336   -1.419988
Na     2.454114   -5.490471   -1.707709
O     -1.333348    0.940149    0.327909
N      4.561007    3.318013   -0.745027
C      4.754595    4.592873   -0.092901
H      4.352735    5.411870   -0.760202
H      4.156831    4.602396    0.865042
C      6.193411    4.926357    0.272361
H      6.846233    4.998400   -0.629770
H      6.200267    5.915454    0.792127
H      6.622743    4.159500    0.960889
C      5.511358    2.903622   -1.749900
H      5.964321    3.831756   -2.206743
H      4.961041    2.365245   -2.576148
C      6.639100    2.008465   -1.254503
H      7.284163    1.732934   -2.123358
H      7.266153    2.537098   -0.496869
H      6.243728    1.073089   -0.791516
S      0.321009   -1.495333    2.541950
O      1.968074   -1.637934    2.645232
O     -0.161822   -2.443364    3.416858
O      0.136818   -0.144241    2.746036
H      2.078248   -0.530774   -1.061904
Na     3.053696    0.076964    2.997595
