   19
 V(C2S2H2)3
V      -0.000600    0.000000    0.000000
S      -1.789700    0.000000    1.575100
S      -1.789700    0.000000   -1.575100
C      -3.224600    0.000000    0.685300
C      -3.224600    0.000000   -0.685300
H      -4.155700    0.000000    1.240900
H      -4.155700    0.000000   -1.240900
S       0.895200   -1.548600    1.575500
S       0.895200   -1.548600   -1.575500
C       1.612000   -2.791200    0.685300
C       1.612000   -2.791200   -0.685300
H       2.077700   -3.597700    1.240700
H       2.077700   -3.597700   -1.240700
S       0.895200    1.548600    1.575500
S       0.895200    1.548600   -1.575500
C       1.612000    2.791200    0.685300
C       1.612000    2.791200   -0.685300
H       2.077700    3.597700    1.240700
H       2.077700    3.597700   -1.240700
   51
 Os(PMe3)2Q2
Os     0.000000     0.000000     0.325519
 P    -1.683923    -0.134833     1.870801
 P     1.683923     0.134833     1.870801
 O     0.000000     1.977543     0.158011
 O    -1.361498     0.213045    -1.192680
 O     0.000000    -1.977543     0.158011
 O     1.361498    -0.213045    -1.192680
 C    -0.371179     2.328969    -1.067105
 C    -1.129480     1.360697    -1.794839
 C    -1.666352     1.710201    -3.044323
 C    -1.411258     2.966315    -3.568930
 C    -0.657257     3.913101    -2.851939
 C    -0.151585     3.605992    -1.599794
 C     0.371179    -2.328969    -1.067105
 C     1.129480    -1.360697    -1.794839
 C     1.666352    -1.710201    -3.044323
 C     1.411258    -2.966315    -3.568930
 C     0.657257    -3.913101    -2.851939
 C     0.151585    -3.605992    -1.599794
 H    -1.798674     3.224829    -4.550952
 H     0.424297     4.323085    -1.021623
 H     1.798674    -3.224829    -4.550952
 H    -0.424297    -4.323085    -1.021623
 H     0.471062    -4.892149    -3.284615
 H     2.249110    -0.970485    -3.585141
 H    -2.249110     0.970485    -3.585141
 H    -0.471062     4.892149    -3.284615
 C    -2.274054     1.405385     2.638729
 H    -2.532205     2.106754     1.839977
 H    -3.149579     1.230539     3.272844
 H    -1.474279     1.854680     3.233366
 C    -3.187041    -0.810715     1.104447
 H    -4.019063    -0.867456     1.813855
 H    -3.452888    -0.184519     0.249281
 H    -2.953498    -1.809098     0.722690
 C    -1.441965    -1.273656     3.269479
 H    -1.116226    -2.235800     2.862254
 H    -0.669260    -0.900920     3.947085
 H    -2.371304    -1.410880     3.832273
 C     2.274054    -1.405385     2.638729
 H     1.474279    -1.854680     3.233366
 H     2.532205    -2.106754     1.839977
 H     3.149579    -1.230539     3.272844
 C     3.187041     0.810715     1.104447
 H     2.953498     1.809098     0.722690
 H     4.019063     0.867456     1.813855
 H     3.452888     0.184519     0.249281
 C     1.441965     1.273656     3.269479
 H     2.371304     1.410880     3.832273
 H     1.116226     2.235800     2.862254
 H     0.669260     0.900920     3.947085
   21
 Li4Pd(C4H4)2
Pd     0.000000     0.000000     0.000000
 C    -1.597684     1.332813     0.000000
 C    -2.875067     0.730158     0.000000
 C    -2.875067    -0.730158     0.000000
 C    -1.597684    -1.332813     0.000000
 C     1.597684     1.332813     0.000000
 C     2.875067     0.730158     0.000000
 C     2.875067    -0.730158     0.000000
 C     1.597684    -1.332813     0.000000
Li    -1.791871     0.000000    -1.701317
Li    -1.791871     0.000000     1.701317
Li     1.791871     0.000000    -1.701317
Li     1.791871     0.000000     1.701317
 H     1.542122    -2.422929     0.000000
 H     3.818410    -1.282132     0.000000
 H     3.818410     1.282132     0.000000
 H     1.542122     2.422929     0.000000
 H    -1.542122    -2.422929     0.000000
 H    -3.818410    -1.282132     0.000000
 H    -3.818410     1.282132     0.000000
 H    -1.542122     2.422929     0.000000
   22
 Li4Cu2(C4H4)2
Cu     0.000000    -1.364350     0.000000
 C    -1.915863    -1.547404     0.000000
 C    -3.052915    -0.730700     0.000000
 C     1.915863    -1.547404     0.000000
 C     3.052915    -0.730700     0.000000
Li    -1.666127     0.000000     1.504850
Li     1.666127     0.000000    -1.504850
 C    -1.915863     1.547404     0.000000
 C    -3.052915     0.730700     0.000000
 C     1.915863     1.547404     0.000000
 C     3.052915     0.730700     0.000000
Cu     0.000000     1.364350     0.000000
Li    -1.666127     0.000000    -1.504850
Li     1.666127     0.000000     1.504850
 H    -2.176712    -2.610268     0.000000
 H    -4.048120    -1.180641     0.000000
 H    -4.048120     1.180641     0.000000
 H    -2.176712     2.610268     0.000000
 H     2.176712    -2.610268     0.000000
 H     4.048120    -1.180641     0.000000
 H     4.048120     1.180641     0.000000
 H     2.176712     2.610268     0.000000
   20
 Li2Cu2(C4H4)2
Cu    10.050013    10.130835     2.904457
Cu     8.357869    10.214109     0.590276
 C    11.714409    10.035231     1.877009
 C    12.032003     9.725390     0.586904
 C    11.152580     9.768911    -0.615834
 C     9.838410    10.127933    -0.688606
 C     6.692350    10.067177     1.609817
 C     6.371519     9.676910     2.877097
 C     7.250946     9.633863     4.079849
 C     8.568355     9.975225     4.175457
Li    10.662522    11.429679     0.726209
Li     7.756730    11.373919     2.848690
 H    12.586565     9.996807     2.538879
 H    13.064660     9.464482     0.336603
 H    11.695690     9.532349    -1.535712
 H     8.934748     9.927500     5.206806
 H     9.471904    10.150881    -1.720764
 H     6.705397     9.342910     4.982528
 H     5.336419     9.409811     3.110185
 H     5.820075    10.080014     0.947115
   95
 Li2Ni(COD)2((CH2)4O)4
Ni    -0.029251    -0.350790    -0.581241
 C     0.763132     0.703165    -2.066391
 H     1.329242     1.627771    -1.882206
 C    -0.683578     0.902476    -2.011694
 H    -0.987889     1.938546    -1.807640
 C    -1.598011     0.228582    -3.030196
 H    -1.487015     0.651965    -4.046119
 H    -2.646843     0.445124    -2.762127
 C    -1.392399    -1.298124    -3.061047
 H    -2.348592    -1.800930    -3.255374
 H    -0.759268    -1.570943    -3.913657
 C    -0.780598    -1.835998    -1.772406
 H    -1.413110    -2.512429    -1.196117
 C     0.613174    -2.020022    -1.631746
 H     0.946429    -2.847144    -1.000594
 C     1.572521    -1.619638    -2.737467
 H     1.484235    -2.289244    -3.612721
 H     2.596049    -1.762953    -2.371766
 C     1.399511    -0.150700    -3.168951
 H     2.377980     0.268184    -3.444683
 H     0.808627    -0.089052    -4.092832
 C     0.588781    -0.221265     1.314558
 H     0.746928     0.798742     1.705954
 C    -0.847815    -0.546555     1.201084
 H    -1.496190     0.250533     1.616433
 C    -1.395197    -1.897375     1.629604
 H    -0.759890    -2.700770     1.241037
 H    -2.370139    -2.055430     1.146805
 C    -1.582245    -2.089462     3.165131
 H    -1.602478    -1.094861     3.630766
 H    -2.562639    -2.537624     3.368177
 C    -0.528924    -2.936709     3.817530
 H    -0.822490    -3.941808     4.120352
 C     0.744143    -2.576780     4.002325
 H     1.422391    -3.306939     4.444194
 C     1.336332    -1.269783     3.568988
 H     2.287760    -1.117297     4.092747
 H     0.682005    -0.441927     3.870948
 C     1.543169    -1.171874     2.025235
 H     1.465672    -2.175580     1.594388
 H     2.585566    -0.864260     1.846274
Li     2.237471     0.251543    -0.245871
Li    -2.292866     0.281347    -0.361478
 O     4.023403    -0.633150    -0.455714
 C     4.273413    -2.024567    -0.185235
 H     3.335220    -2.572354    -0.309158
 H     4.599343    -2.116081     0.858600
 C     5.367269    -2.446192    -1.158018
 H     4.928160    -2.787329    -2.102810
 H     5.989208    -3.253109    -0.759652
 C     6.127836    -1.138168    -1.370692
 H     6.802648    -0.944025    -0.528023
 H     6.715660    -1.120543    -2.293067
 C     4.989942    -0.129803    -1.385724
 H     5.274955     0.876658    -1.064602
 H     4.529101    -0.063240    -2.380890
 O     3.015753     1.999937     0.407921
 C     3.832089     2.033624     1.585358
 H     4.844286     1.724514     1.306613
 H     3.435122     1.318014     2.317683
 C     3.740363     3.460237     2.105072
 H     3.941662     3.528420     3.178134
 H     4.451141     4.108919     1.578857
 C     2.305020     3.824653     1.729339
 H     2.126446     4.903202     1.683334
 H     1.603203     3.388896     2.450375
 C     2.156107     3.150349     0.371868
 H     1.140955     2.803489     0.158065
 H     2.488375     3.803845    -0.445342
 O    -3.018530     2.078751     0.221907
 C    -2.062944     2.946407     0.856451
 H    -1.067953     2.618176     0.536029
 H    -2.141444     2.819773     1.941549
 C    -2.397163     4.364418     0.394158
 H    -1.502858     4.983646     0.276500
 H    -3.058297     4.861191     1.114196
 C    -3.137382     4.120572    -0.920998
 H    -3.795525     4.946159    -1.208166
 H    -2.427965     3.939385    -1.736537
 C    -3.898693     2.844484    -0.602607
 H    -4.824384     3.060145    -0.047624
 H    -4.147761     2.241256    -1.480186
 O    -4.107103    -0.565408    -0.365126
 C    -4.872244    -0.491098     0.848088
 H    -5.563416     0.359193     0.772602
 H    -4.185249    -0.310902     1.680251
 C    -5.616970    -1.814652     0.947456
 H    -6.547675    -1.728795     1.515964
 H    -4.986488    -2.569654     1.432042
 C    -5.828851    -2.165959    -0.523838
 H    -6.017519    -3.229630    -0.695226
 H    -6.671147    -1.597189    -0.936148
 C    -4.516818    -1.703735    -1.139877
 H    -3.740544    -2.475130    -1.069070
 H    -4.604399    -1.389203    -2.183802
