221
4-Ni
Ni       -0.029992   -0.037702    0.207752
Mg        1.150579   -1.891326   -0.880000
Mg       -2.283042    0.043120   -0.827790
Mg        1.053951    1.993933   -0.702226
P        0.124925   -0.232285    2.437906
H       -0.774827   -1.311883   -0.431204
H       -0.815215    1.279685   -0.252174
H        1.446237    0.055790   -0.411735
N        0.720609   -3.180109   -2.476810
C        1.689370   -3.566926   -3.300046
C        3.063875   -3.402704   -3.047652
H        3.725123   -3.696059   -3.855865
C        3.698477   -3.132957   -1.817476
N        3.077332   -2.730459   -0.715520
C        1.340763   -4.278442   -4.594625
H        0.959575   -5.284690   -4.385365
H        2.220260   -4.373443   -5.235168
H        0.554412   -3.751490   -5.144031
C        5.195283   -3.379291   -1.785996
H        5.721211   -2.528575   -1.340414
H        5.584507   -3.545589   -2.793253
H        5.431142   -4.258278   -1.175192
C       -0.593964   -3.670029   -2.762167
C       -0.963142   -4.944987   -2.296756
C       -2.217957   -5.452215   -2.626699
H       -2.491494   -6.447112   -2.275025
C       -3.135018   -4.717105   -3.376724
C       -2.761372   -3.444461   -3.798155
H       -3.464747   -2.842039   -4.370994
C       -1.505320   -2.908066   -3.506796
C       -0.021046   -5.749848   -1.438076
H        0.135541   -5.252515   -0.471668
H        0.968976   -5.865396   -1.894439
H       -0.428452   -6.746318   -1.240022
C       -4.507863   -5.264346   -3.679588
H       -4.489085   -6.353301   -3.794533
H       -4.915447   -4.832219   -4.599513
H       -5.213034   -5.032954   -2.869730
C       -1.129736   -1.544461   -4.022675
H       -0.746793   -0.909276   -3.216298
H       -1.997029   -1.046510   -4.468210
H       -0.335421   -1.596099   -4.779321
C        3.818742   -2.806073    0.509445
C        4.482728   -1.686415    1.034616
C        5.155790   -1.809211    2.251142
H        5.681291   -0.938761    2.645438
C        5.193083   -3.006912    2.962780
C        4.550552   -4.111202    2.407673
H        4.579592   -5.065372    2.933577
C        3.865787   -4.032010    1.195041
C        4.500662   -0.376081    0.295903
H        3.551550    0.158914    0.420578
H        4.638106   -0.519201   -0.779257
H        5.309643    0.266297    0.661611
C        5.901800   -3.094488    4.291635
H        5.313198   -2.615805    5.084595
H        6.874020   -2.590432    4.259183
H        6.069554   -4.135347    4.586432
C        3.168881   -5.248234    0.640219
H        3.342027   -6.121321    1.277625
H        3.507060   -5.493219   -0.373766
H        2.086397   -5.083867    0.574003
N       -3.198818    1.213495   -2.340644
C       -4.054638    0.614482   -3.168123
C       -4.706746   -0.600510   -2.906114
H       -5.355396   -0.960335   -3.697436
C       -4.850454   -1.256725   -1.662677
N       -4.077531   -1.046788   -0.608129
C       -4.438470    1.287304   -4.474880
H       -5.116251    2.128972   -4.291898
H       -4.945035    0.581431   -5.137229
H       -3.561589    1.692520   -4.989204
C       -6.041084   -2.193170   -1.564837
H       -5.775708   -3.154850   -1.119327
H       -6.479099   -2.367386   -2.550107
H       -6.810297   -1.747286   -0.922435
C       -2.967105    2.605197   -2.595375
C       -3.921191    3.549874   -2.164969
C       -3.721356    4.898513   -2.444837
H       -4.468856    5.619062   -2.112186
C       -2.593806    5.351818   -3.130931
C       -1.663990    4.404796   -3.543129
H       -0.774528    4.727006   -4.080705
C       -1.831679    3.040235   -3.289190
C       -5.145176    3.123543   -1.395419
H       -5.837948    3.962622   -1.275794
H       -4.868545    2.770926   -0.395650
H       -5.682188    2.300923   -1.881349
C       -2.398065    6.821466   -3.411103
H       -3.244777    7.238201   -3.968854
H       -1.490870    6.994867   -3.999494
H       -2.307230    7.395856   -2.480996
C       -0.820840    2.055081   -3.809788
H       -1.231827    1.438201   -4.620275
H       -0.502937    1.357802   -3.027039
H        0.065241    2.573095   -4.189082
C       -4.505680   -1.622767    0.633342
C       -4.190057   -2.948332    0.973198
C       -4.680049   -3.467729    2.171032
H       -4.465616   -4.508088    2.414242
C       -5.423384   -2.702823    3.067670
C       -5.698257   -1.382255    2.722229
H       -6.281622   -0.760766    3.401371
C       -5.264778   -0.835559    1.513924
C       -3.364825   -3.815096    0.059154
H       -2.893083   -4.631929    0.617604
H       -2.579528   -3.241448   -0.443910
H       -3.972814   -4.271358   -0.731416
C       -5.903527   -3.294252    4.369802
H       -6.526304   -4.179986    4.198884
H       -6.495932   -2.572163    4.940625
H       -5.059406   -3.605436    4.996600
C       -5.618043    0.582661    1.152905
H       -6.165502    0.637122    0.204374
H       -4.714487    1.191418    1.028656
H       -6.232309    1.044423    1.932835
N        2.497075    2.457276   -2.170621
C        2.373983    3.589053   -2.863502
C        1.560712    4.674282   -2.496582
H        1.530216    5.495075   -3.205084
C        0.958021    4.933831   -1.246744
N        0.825275    4.039387   -0.279821
C        3.183361    3.784855   -4.133681
H        4.238679    3.962419   -3.897552
H        2.812839    4.642558   -4.699702
H        3.146999    2.894590   -4.769715
C        0.487897    6.358582   -1.024422
H       -0.529113    6.377321   -0.620488
H        0.507129    6.925829   -1.957970
H        1.131358    6.869256   -0.298709
C        3.616978    1.632490   -2.519238
C        4.896302    1.976445   -2.037456
C        5.997402    1.215254   -2.418654
H        6.983347    1.496949   -2.048563
C        5.871795    0.095996   -3.242392
C        4.597217   -0.243906   -3.682230
H        4.465372   -1.118838   -4.316999
C        3.467954    0.507486   -3.341044
C        5.082903    3.129418   -1.083897
H        4.677690    2.872609   -0.096135
H        4.569167    4.040387   -1.409619
H        6.145656    3.359057   -0.956352
C        7.080994   -0.721106   -3.625368
H        6.822019   -1.493355   -4.357186
H        7.516001   -1.222836   -2.752181
H        7.864603   -0.091962   -4.062811
C        2.123491    0.121005   -3.897314
H        1.760267    0.854103   -4.629546
H        1.366600    0.067595   -3.107635
H        2.174867   -0.857297   -4.385817
C        0.490549    4.518074    1.028748
C       -0.834495    4.519534    1.495317
C       -1.084071    4.942125    2.801157
H       -2.115118    4.963173    3.152800
C       -0.065635    5.352430    3.660557
C        1.234793    5.373368    3.163846
H        2.047842    5.712946    3.805196
C        1.527519    4.974899    1.859116
C       -1.976892    4.137843    0.592605
H       -2.112659    4.864087   -0.217859
H       -2.916526    4.084423    1.154937
H       -1.801327    3.170474    0.113449
C       -0.375174    5.759786    5.079879
H       -0.682136    4.894161    5.680109
H       -1.193895    6.487266    5.116593
H        0.497249    6.208527    5.565471
C        2.940965    5.048017    1.342129
H        3.035289    5.761242    0.513358
H        3.270186    4.079705    0.952499
H        3.631970    5.359392    2.132122
C       -0.017659   -1.961289    3.152502
H       -0.015258   -1.865791    4.245889
C        1.160031   -2.873059    2.783430
H        2.123926   -2.423722    3.047444
H        1.176103   -3.016220    1.690821
C        1.039513   -4.241901    3.459394
H        1.888808   -4.874226    3.173511
H        1.102907   -4.107022    4.550059
C       -0.283344   -4.923379    3.113555
H       -0.374495   -5.879760    3.644091
H       -0.298462   -5.157695    2.036597
C       -1.465586   -4.011192    3.440783
H       -1.518307   -3.864341    4.530957
H       -2.406364   -4.488671    3.145667
C       -1.330547   -2.647912    2.755395
H       -1.347244   -2.772686    1.664117
H       -2.198705   -2.023785    2.999755
C       -1.076561    0.738951    3.540641
H       -0.550278    1.690359    3.726143
C       -2.374565    1.099446    2.799174
H       -2.919649    0.176296    2.547775
H       -2.120808    1.590490    1.853002
C       -3.281556    2.008686    3.634535
H       -2.768178    2.967447    3.794757
H       -4.203682    2.231993    3.081611
C       -3.609773    1.392793    4.993578
H       -4.233544    2.074619    5.585594
H       -4.193518    0.471368    4.843980
C       -2.320598    1.056426    5.741323
H       -2.545643    0.586749    6.707459
H       -1.775016    1.987463    5.960969
C       -1.428564    0.127270    4.911475
H       -1.969198   -0.817989    4.763619
H       -0.528314   -0.115544    5.483855
C        1.793609    0.269275    3.161415
H        2.499527   -0.372506    2.613094
C        2.172593    1.719280    2.829767
H        1.484572    2.419356    3.326121
H        2.060474    1.895830    1.751357
C        3.610832    2.043763    3.249923
H        4.304412    1.437909    2.646944
H        3.834482    3.094829    3.030903
C        3.852293    1.755703    4.731856
H        4.901099    1.947127    4.991901
H        3.244861    2.445949    5.336559
C        3.465122    0.317977    5.074719
H        3.593313    0.132549    6.149047
H        4.133987   -0.378836    4.547528
C        2.017869    0.027590    4.664605
H        1.357329    0.690454    5.241988
H        1.762193   -1.001136    4.944155
189
3-Pd'
Pd        0.010535    1.193880    0.072228
H       -1.430879    1.208729   -0.799131
Mg       -1.891318   -0.571833   -0.299369
P        0.201522    3.731052    0.138250
N       -2.580903   -2.044192   -1.610244
C       -3.541335   -2.903706   -1.285095
C       -4.207980   -2.933046   -0.045941
H       -4.897090   -3.759482    0.087997
C       -4.255079   -1.948745    0.959826
N       -3.518727   -0.844542    0.974662
C       -4.004536   -3.937671   -2.294590
H       -3.208465   -4.652475   -2.524331
H       -4.279959   -3.457706   -3.239450
H       -4.867380   -4.490305   -1.918442
C       -5.299374   -2.173766    2.036593
H       -4.908286   -1.925462    3.027286
H       -5.639891   -3.211557    2.035305
H       -6.169208   -1.528392    1.867260
C       -2.082279   -2.085157   -2.955727
C       -2.569451   -1.153046   -3.895279
C       -2.102103   -1.214103   -5.210035
H       -2.486790   -0.509416   -5.944577
C       -1.156200   -2.152712   -5.596798
H       -0.802365   -2.184939   -6.624418
C       -0.659452   -3.046018   -4.656285
H        0.089382   -3.775731   -4.958351
C       -1.110754   -3.036202   -3.335474
C       -3.606051   -0.097851   -3.532543
H       -3.783488   -0.154269   -2.452467
C       -3.103193    1.315836   -3.849552
H       -3.837675    2.064419   -3.528351
H       -2.939211    1.453118   -4.925314
H       -2.158500    1.521631   -3.333030
C       -4.947293   -0.375008   -4.223012
H       -5.336875   -1.364434   -3.956138
H       -4.847337   -0.336773   -5.314757
H       -5.693555    0.372997   -3.928599
C       -0.529224   -4.041474   -2.349932
H       -1.135858   -4.013856   -1.438463
C       -0.543359   -5.480616   -2.881700
H       -1.538035   -5.784340   -3.226504
H       -0.229514   -6.175720   -2.094137
H        0.149271   -5.606208   -3.722125
C        0.898212   -3.648275   -1.960870
H        0.921612   -2.635706   -1.538560
H        1.562882   -3.651970   -2.834441
H        1.317649   -4.337482   -1.219448
C       -3.935032    0.202198    1.865821
C       -3.287604    0.405935    3.098288
C       -3.733276    1.439241    3.927186
H       -3.244295    1.597056    4.886608
C       -4.784629    2.262575    3.555152
H       -5.117191    3.060233    4.215192
C       -5.407947    2.061831    2.329664
H       -6.229703    2.711974    2.036849
C       -5.006213    1.037332    1.473511
C       -2.140857   -0.471853    3.575865
H       -1.936517   -1.214606    2.797684
C       -2.516458   -1.233997    4.853411
H       -3.409497   -1.853790    4.707974
H       -2.722336   -0.544748    5.681653
H       -1.691834   -1.887868    5.158135
C       -0.857129    0.340625    3.786112
H       -0.552617    0.841085    2.858189
H       -0.038213   -0.318999    4.098303
H       -0.991380    1.104632    4.563813
C       -5.721760    0.858914    0.138333
H       -5.456514   -0.122966   -0.267539
C       -5.244776    1.909422   -0.870764
H       -4.160733    1.848468   -1.021061
H       -5.475313    2.923280   -0.519505
H       -5.735042    1.766266   -1.842610
C       -7.248798    0.896637    0.271861
H       -7.607430    0.181043    1.020786
H       -7.716455    0.646946   -0.687558
H       -7.609533    1.890533    0.561557
C        0.589650    4.455930   -1.593012
C        0.344111    5.961369   -1.786739
H        0.901035    6.580205   -1.078828
H        0.672067    6.242099   -2.797149
H       -0.714138    6.225838   -1.709642
C       -0.243149    3.694750   -2.643834
H       -1.313082    3.897967   -2.581430
H        0.090940    4.003324   -3.644148
H       -0.099748    2.615130   -2.554178
C        2.059402    4.159845   -1.941593
H        2.759696    4.800702   -1.398613
H        2.327297    3.112334   -1.760694
H        2.212186    4.353324   -3.011420
C        1.548845    4.376980    1.346518
C        1.925653    5.864330    1.231461
H        2.451900    6.080211    0.296733
H        1.069543    6.538395    1.304769
H        2.613903    6.115837    2.050063
C        2.844451    3.563958    1.166280
H        3.304705    3.685632    0.184939
H        3.568947    3.907974    1.917591
H        2.672069    2.496730    1.323526
C        1.101702    4.094173    2.793589
H        0.788612    3.051231    2.923045
H        1.956746    4.266254    3.460651
H        0.293475    4.747661    3.130873
C       -1.463792    4.483165    0.714619
C       -1.444624    5.943138    1.196302
H       -0.871936    6.076243    2.118016
H       -1.049112    6.632666    0.444537
H       -2.476347    6.251092    1.414087
C       -2.013860    3.596017    1.847045
H       -1.375281    3.559975    2.731300
H       -2.990033    3.986078    2.161672
H       -2.165951    2.567897    1.502063
C       -2.504116    4.382461   -0.415024
H       -2.526508    3.380779   -0.854317
H       -3.496054    4.577657    0.013744
H       -2.345062    5.116412   -1.209734
H        1.386416    0.917134    0.975122
Mg        1.769441   -0.767344    0.253026
N        2.362150   -2.436156    1.354862
C        3.248169   -3.316046    0.903108
C        3.909339   -3.218395   -0.336035
H        4.515463   -4.075619   -0.606287
C        4.051428   -2.094729   -1.173332
N        3.431157   -0.933972   -0.991636
C        3.631245   -4.509955    1.756660
H        2.770314   -5.157990    1.947634
H        3.999365   -4.177804    2.733416
H        4.411377   -5.101181    1.273628
C        5.037149   -2.253236   -2.315715
H        4.523207   -2.146344   -3.277166
H        5.517961   -3.233107   -2.286688
H        5.810750   -1.480020   -2.281374
C        1.898556   -2.582815    2.704894
C        2.504290   -1.808906    3.716932
C        2.052955   -1.944232    5.031088
H        2.522078   -1.357123    5.818430
C        1.018359   -2.812223    5.349901
H        0.677222   -2.906103    6.378055
C        0.419977   -3.559689    4.343404
H       -0.393095   -4.237295    4.596504
C        0.844848   -3.467484    3.017088
C        3.643647   -0.842788    3.422805
H        3.833399   -0.870347    2.344952
C        3.272565    0.597714    3.798295
H        4.068358    1.290608    3.495024
H        3.131962    0.704260    4.881272
H        2.344475    0.909661    3.305042
C        4.943800   -1.271502    4.113553
H        5.244726   -2.280497    3.808358
H        4.837385   -1.268089    5.205297
H        5.757881   -0.582975    3.854821
C        0.159068   -4.321625    1.957907
H        0.763667   -4.278762    1.045685
C        0.038058   -5.794462    2.370431
H        1.000535   -6.214637    2.683626
H       -0.337269   -6.390836    1.530640
H       -0.664807   -5.924157    3.201627
C       -1.223270   -3.761253    1.612175
H       -1.142843   -2.736910    1.228682
H       -1.873864   -3.728956    2.495901
H       -1.722811   -4.369548    0.849241
C        3.909107    0.192716   -1.743666
C        3.430199    0.447069   -3.042703
C        3.940156    1.542562   -3.743988
H        3.576285    1.748517   -4.748431
C        4.899894    2.370808   -3.183779
H        5.291822    3.215054   -3.745938
C        5.350100    2.124248   -1.891692
H        6.091634    2.788497   -1.457094
C        4.867351    1.047264   -1.146593
C        2.352839   -0.412382   -3.688065
H        2.246876   -1.325499   -3.093174
C        2.695723   -0.834818   -5.121503
H        3.676030   -1.322171   -5.184907
H        2.707056    0.022745   -5.804724
H        1.937198   -1.535149   -5.491085
C        1.004822    0.315470   -3.655162
H        0.714655    0.562974   -2.625987
H        0.215227   -0.306916   -4.090734
H        1.057506    1.252446   -4.226087
C        5.373251    0.806998    0.275889
H        4.499338    0.525500    0.878925
C        5.996546    2.047749    0.924528
H        5.363623    2.933494    0.825950
H        6.977507    2.277273    0.489784
H        6.154613    1.860893    1.993573
C        6.391194   -0.340997    0.368489
H        5.958823   -1.313181    0.121773
H        6.783406   -0.409436    1.391164
H        7.239885   -0.154209   -0.302121
201
3-Pd
Mg       -1.656125    1.312167    0.233096
N       -3.364592    1.387420    1.428651
C       -4.494818    1.965482    1.030180
C       -4.681118    2.600733   -0.211159
H       -5.691313    2.941281   -0.409303
C       -5.698377    1.986349    1.954296
H       -6.069825    0.974343    2.142007
H       -6.508877    2.578413    1.525451
H       -5.431609    2.410158    2.928076
C       -3.312645    0.905627    2.779658
C       -3.843369   -0.357385    3.119989
C       -3.796291   -0.769076    4.453218
H       -4.204693   -1.740589    4.725249
C       -3.253961    0.041354    5.442102
H       -3.243076   -0.289397    6.477783
C       -2.713473    1.270839    5.092745
H       -2.273571    1.899371    5.864470
C       -2.713660    1.714170    3.768501
C       -4.453098   -1.292403    2.083074
H       -4.559004   -0.735339    1.146080
C       -3.520579   -2.477375    1.812346
H       -2.538732   -2.133478    1.464908
H       -3.934865   -3.148890    1.051488
H       -3.353344   -3.066580    2.723298
C       -5.840838   -1.810553    2.483701
H       -5.784741   -2.484453    3.346659
H       -6.283781   -2.376948    1.655819
H       -6.527722   -0.998011    2.744684
C       -2.074393    3.058686    3.444673
H       -2.085619    3.188087    2.356305
C       -2.877928    4.220330    4.041828
H       -3.911036    4.219932    3.674906
H       -2.423854    5.181726    3.771697
H       -2.909948    4.160355    5.136745
C       -0.610560    3.103599    3.901499
H       -0.524583    3.004091    4.990318
H       -0.149706    4.056913    3.617606
H       -0.030718    2.295570    3.439533
N       -2.422944    2.731262   -1.073551
C       -3.713723    3.025023   -1.143415
C       -4.222521    3.943293   -2.237776
H       -3.792822    3.679010   -3.208291
H       -3.930786    4.979844   -2.033621
H       -5.311897    3.901792   -2.304502
C       -1.530305    3.502333   -1.890180
C       -1.141893    4.785045   -1.441995
C       -0.296847    5.548745   -2.244938
H        0.005099    6.540157   -1.912668
C        0.173075    5.065706   -3.460407
H        0.823700    5.679338   -4.079290
C       -0.188213    3.792495   -3.873275
H        0.186903    3.410615   -4.820856
C       -1.037298    2.991461   -3.104065
C       -1.595086    5.340642   -0.096338
H       -2.382266    4.688671    0.297066
C       -0.436764    5.316673    0.909756
H       -0.017291    4.307544    1.011159
H       -0.776761    5.651236    1.898510
H        0.371516    5.987021    0.590269
C       -2.182782    6.752778   -0.202166
H       -1.427359    7.485390   -0.510078
H       -2.573307    7.073249    0.770848
H       -3.003728    6.796622   -0.926987
C       -1.406832    1.609473   -3.618404
H       -2.062086    1.136666   -2.878704
C       -2.183502    1.683806   -4.939053
H       -3.098128    2.280423   -4.838024
H       -2.467108    0.676849   -5.265710
H       -1.576708    2.137381   -5.732623
C       -0.163055    0.725402   -3.765921
H        0.530886    1.133541   -4.513285
H       -0.451613   -0.282785   -4.085875
H        0.371286    0.641706   -2.811031
Pd        0.744025    0.312067   -0.026560
H        0.160655    1.692117    0.718931
P        3.087681    1.040709    0.070115
C        4.214309    0.257007   -1.206935
C        3.501488    0.060358   -2.559763
C        5.602071    0.879221   -1.447930
H        4.369639   -0.751079   -0.784889
C        4.345012   -0.779472   -3.524746
H        3.295824    1.040869   -3.015110
H        2.529179   -0.417373   -2.399197
C        6.444519    0.012986   -2.390342
H        5.479357    1.870613   -1.905880
H        6.140916    1.031528   -0.508529
C        5.740565   -0.190756   -3.731528
H        3.823653   -0.874388   -4.485904
H        4.441743   -1.798620   -3.119194
H        7.428356    0.475581   -2.539102
H        6.623168   -0.965667   -1.919213
H        6.337481   -0.839168   -4.384882
H        5.653755    0.779847   -4.242461
C        3.753901    0.428000    1.709735
C        5.277479    0.282065    1.878237
C        3.130651    1.232506    2.867255
H        3.330239   -0.588522    1.770455
C        5.644102   -0.267955    3.260952
H        5.777077    1.249294    1.740616
H        5.675253   -0.391849    1.109568
C        3.528433    0.668383    4.233391
H        3.453966    2.281969    2.816289
H        2.038448    1.236098    2.763252
C        5.047524    0.582208    4.382810
H        6.736077   -0.321947    3.356695
H        5.263880   -1.295215    3.348701
H        3.094307    1.287562    5.029282
H        3.103734   -0.338927    4.342143
H        5.312881    0.163048    5.361488
H        5.478908    1.594243    4.344866
C        3.342097    2.894650    0.051970
C        4.682143    3.477774    0.538643
C        2.958531    3.475770   -1.323125
H        2.566359    3.231808    0.758906
C        4.657322    5.009544    0.546562
H        5.501407    3.145026   -0.109359
H        4.913314    3.119640    1.546522
C        2.983967    5.007448   -1.322725
H        3.663398    3.115031   -2.086436
H        1.960787    3.122007   -1.617756
C        4.322379    5.561552   -0.837541
H        5.625434    5.392650    0.893083
H        3.902270    5.357442    1.267776
H        2.754721    5.376314   -2.329273
H        2.181977    5.375564   -0.667396
H        4.297362    6.658348   -0.819306
H        5.116921    5.275008   -1.543235
Mg       -0.419374   -2.027587   -0.258569
N        0.040525   -3.606544    1.007686
N       -1.616263   -3.248650   -1.450197
C       -0.682682   -4.715308    1.075703
C        1.226130   -3.539693    1.812255
C       -2.057202   -4.436205   -1.044017
C       -1.922969   -2.851037   -2.794072
C       -1.712366   -5.050984    0.174358
C       -0.385383   -5.743160    2.150120
C        2.438804   -4.014167    1.269908
C        1.186982   -3.001149    3.113127
C       -2.989196   -5.241557   -1.931222
C       -3.170680   -2.282641   -3.120825
C       -0.934822   -3.029118   -3.788793
H       -2.214078   -5.990683    0.375640
H        0.630259   -6.137920    2.039582
H       -1.090123   -6.575801    2.104777
H       -0.439056   -5.288083    3.144875
C        3.590017   -3.972575    2.058872
C        2.527903   -4.586389   -0.139449
C        2.359669   -2.992740    3.870112
C       -0.083633   -2.401822    3.693719
H       -3.971103   -4.761892   -1.997749
H       -3.126751   -6.250084   -1.536675
H       -2.599619   -5.313149   -2.951384
C       -3.427152   -1.948395   -4.452663
C       -4.242123   -2.002347   -2.075146
C       -1.247445   -2.702334   -5.108889
C        0.446871   -3.576073   -3.444517
H        4.528599   -4.346928    1.653871
C        3.554086   -3.482229    3.357596
H        1.524215   -4.566032   -0.577783
C        3.436234   -3.728054   -1.028268
C        2.994062   -6.047604   -0.134411
H        2.335099   -2.598708    4.884350
H       -0.909762   -2.654153    3.021307
C       -0.435390   -2.955820    5.078863
C        0.025643   -0.872809    3.738211
H       -4.387638   -1.510374   -4.716829
C       -2.486490   -2.172853   -5.446878
H       -3.943657   -2.494798   -1.143300
C       -4.336987   -0.499467   -1.792023
C       -5.622661   -2.541607   -2.473183
H       -0.505637   -2.850325   -5.888769
H        0.689123   -3.243999   -2.427038
C        0.470628   -5.110212   -3.435439
C        1.548599   -3.031482   -4.358388
H        4.453691   -3.482122    3.968836
H        3.052811   -2.703270   -1.104145
H        3.494516   -4.150154   -2.040011
H        4.457860   -3.680925   -0.629163
H        4.014176   -6.143322    0.256945
H        2.988859   -6.453628   -1.153256
H        2.339646   -6.675287    0.481215
H       -0.514999   -4.049563    5.074912
H       -1.395958   -2.542577    5.409260
H        0.315495   -2.679264    5.828819
H        0.817459   -0.559080    4.431941
H       -0.916039   -0.429358    4.077813
H        0.261113   -0.463647    2.746801
H       -2.710964   -1.922554   -6.480927
H       -3.385994   -0.108992   -1.410550
H       -5.113428   -0.280212   -1.050054
H       -4.575965    0.062821   -2.704003
H       -6.042122   -1.986136   -3.320190
H       -6.323136   -2.436451   -1.636211
H       -5.588111   -3.598998   -2.757954
H       -0.213335   -5.523435   -2.686544
H        1.479245   -5.475379   -3.202256
H        0.186363   -5.507014   -4.418323
H        1.480328   -3.439557   -5.374120
H        2.531801   -3.310777   -3.963960
H        1.509682   -1.937623   -4.423103
H        1.171811   -1.123604   -0.758915
169
2-Pd'
Pd       -0.024161   -0.131822   -0.006804
Mg        0.344763   -2.526793   -0.682347
Mg       -0.333185    0.491841    2.412672
Mg       -0.061030    1.717364   -1.715363
H       -0.003614   -1.287539    1.276062
H       -0.265934    1.534189    0.386551
H        0.193528   -0.621972   -1.642810
N        1.968561   -3.766538   -0.828183
C        1.869321   -5.089679   -0.907639
C        0.660492   -5.800116   -1.029096
H        0.757358   -6.878975   -1.070653
C       -0.650990   -5.305828   -1.170417
N       -0.979869   -4.021914   -1.123031
C        3.132008   -5.929221   -0.874429
H        3.778312   -5.694994   -1.727225
H        2.896581   -6.994934   -0.898360
H        3.714643   -5.716603    0.028410
C       -1.735455   -6.340310   -1.398412
H       -2.519704   -6.254398   -0.638623
H       -1.327454   -7.352554   -1.370915
H       -2.219861   -6.184508   -2.368645
C        3.278820   -3.192153   -0.800838
C        3.932022   -2.902340   -2.009832
C        5.216931   -2.364401   -1.967970
H        5.734613   -2.164476   -2.906826
C        5.860650   -2.088018   -0.761769
C        5.176738   -2.353183    0.422232
H        5.656948   -2.140059    1.376685
C        3.892094   -2.898982    0.425451
C        3.256592   -3.179958   -3.329535
H        3.012828   -4.242245   -3.452214
H        3.896794   -2.880494   -4.165505
H        2.310516   -2.629682   -3.413675
C        7.255616   -1.512765   -0.749343
H        7.738201   -1.657286    0.222805
H        7.244400   -0.433545   -0.952774
H        7.886050   -1.979942   -1.513873
C        3.181870   -3.185089    1.724135
H        2.319142   -2.518275    1.854150
H        3.851754   -3.028261    2.574952
H        2.805685   -4.214162    1.765495
C       -2.343827   -3.656707   -1.348759
C       -3.215396   -3.504323   -0.260527
C       -4.535570   -3.124811   -0.504903
H       -5.211036   -3.005840    0.341551
C       -5.007961   -2.897284   -1.795590
C       -4.118499   -3.049000   -2.858640
H       -4.466953   -2.870954   -3.876171
C       -2.787023   -3.408142   -2.657347
C       -2.734006   -3.754942    1.146103
H       -2.255841   -4.736860    1.244785
H       -3.565525   -3.701914    1.854909
H       -1.993477   -3.002141    1.446660
C       -6.431622   -2.459963   -2.037033
H       -6.505056   -1.364602   -2.084902
H       -7.095042   -2.797263   -1.233556
H       -6.816976   -2.852659   -2.984087
C       -1.835409   -3.521589   -3.822007
H       -1.005813   -2.809623   -3.721508
H       -2.348477   -3.310316   -4.765398
H       -1.386714   -4.519685   -3.894014
C        0.633973    1.686883    4.981246
N        0.988489    1.144980    3.824117
C       -0.694853    1.799628    5.434670
H       -0.819393    2.278247    6.399395
C       -1.880864    1.344364    4.826784
N       -1.942019    0.744021    3.644231
C        1.708517    2.230581    5.901706
H        2.398015    1.435746    6.206220
H        1.272979    2.677415    6.797606
H        2.309888    2.987409    5.386253
C       -3.162399    1.575247    5.603099
H       -3.866353    2.173719    5.014409
H       -2.966056    2.090133    6.545556
H       -3.662686    0.625214    5.819771
C        2.376671    1.028248    3.504116
C        3.084226   -0.114513    3.903248
C        4.427090   -0.234716    3.541877
H        4.982170   -1.115274    3.866335
C        5.072150    0.734909    2.779491
C        4.340720    1.854419    2.383678
H        4.820307    2.620389    1.775538
C        3.002612    2.020147    2.731051
C        2.403126   -1.196459    4.703719
H        2.006610   -0.819165    5.654060
H        3.098227   -2.012070    4.927401
H        1.551368   -1.619436    4.155159
C        6.513869    0.578597    2.366255
H        6.592092    0.428136    1.282358
H        6.980699   -0.281272    2.859352
H        7.102342    1.469104    2.616978
C        2.240952    3.242483    2.284046
H        1.421767    2.969207    1.606481
H        2.899999    3.932412    1.747330
H        1.793678    3.777976    3.130441
C       -3.214136    0.306391    3.158806
C       -3.963667    1.147404    2.319840
C       -5.183840    0.689294    1.828550
H       -5.762896    1.341721    1.176317
C       -5.677292   -0.576522    2.142594
C       -4.907720   -1.395646    2.964458
H       -5.273538   -2.390353    3.220610
C       -3.675142   -0.980092    3.471935
C       -3.454412    2.517946    1.951687
H       -3.141506    3.088708    2.833976
H       -4.221657    3.088573    1.421085
H       -2.584645    2.448670    1.284359
C       -7.012247   -1.029701    1.604789
H       -7.180555   -2.095515    1.794750
H       -7.077952   -0.865602    0.522212
H       -7.837383   -0.476572    2.069696
C       -2.849675   -1.899908    4.336395
H       -1.869255   -2.095938    3.882984
H       -3.354459   -2.861209    4.476233
H       -2.656542   -1.470647    5.326993
C        1.224089    3.220035   -3.935612
N        1.429685    2.676370   -2.743662
C       -0.041048    3.351740   -4.545104
H       -0.033728    3.756332   -5.550888
C       -1.314680    3.172197   -3.974431
N       -1.535750    2.681199   -2.758492
C        2.401903    3.770702   -4.715164
H        2.860436    4.604656   -4.171676
H        2.090733    4.127403   -5.698944
H        3.181260    3.012387   -4.842544
C       -2.493959    3.598199   -4.827725
H       -3.239566    2.797610   -4.879607
H       -2.173337    3.850407   -5.840566
H       -2.996979    4.470344   -4.396468
C        2.752843    2.706719   -2.201041
C        3.145877    3.796045   -1.405574
C        4.440650    3.821209   -0.892437
H        4.752851    4.677100   -0.292824
C        5.347646    2.787390   -1.132086
C        4.918504    1.701207   -1.889571
H        5.601178    0.872565   -2.076402
C        3.632730    1.640830   -2.431354
C        2.180750    4.919516   -1.119615
H        1.808981    5.386568   -2.039583
H        2.655084    5.695693   -0.510521
H        1.299943    4.555138   -0.574483
C        6.758207    2.867746   -0.601785
H        7.321329    3.667213   -1.098198
H        7.300425    1.930175   -0.765207
H        6.775005    3.078494    0.474283
C        3.203961    0.457075   -3.260115
H        2.409556   -0.106313   -2.754245
H        4.043281   -0.225113   -3.422780
H        2.810534    0.763104   -4.237020
C       -2.856163    2.792289   -2.221842
C       -3.720998    1.690726   -2.223375
C       -5.007309    1.846575   -1.700089
H       -5.681364    0.989565   -1.709740
C       -5.450918    3.056814   -1.176948
C       -4.557135    4.129317   -1.155713
H       -4.874798    5.080937   -0.728976
C       -3.263197    4.015029   -1.655914
C       -3.283164    0.360395   -2.779082
H       -2.785828    0.466690   -3.750540
H       -4.138105   -0.310758   -2.900011
H       -2.575822   -0.141836   -2.104070
C       -6.849826    3.211989   -0.632029
H       -6.837371    3.539558    0.415045
H       -7.402270    2.267371   -0.680034
H       -7.417480    3.959711   -1.198316
C       -2.307973    5.180945   -1.586058
H       -1.376573    4.895929   -1.081214
H       -2.754356    6.016130   -1.037545
H       -2.022096    5.544590   -2.580749
7
Model_PdH6
Pd       -0.000001    0.000015   -0.000005
H       -0.397561   -1.733209    0.000020
H        1.699744    0.522030    0.000147
H       -1.302318    1.210728   -0.000016
H        1.278194    1.236219   -0.000056
H       -1.709769    0.488396    0.000113
H        0.431753   -1.724841    0.000005
7
Model_PdMg3H3
Pd       -0.000147    0.000030    0.000000
Mg       -2.495992    0.321035   -0.000008
Mg        0.970064   -2.321872   -0.000008
Mg        1.526174    2.000791    0.000016
H       -1.022002   -1.351105   -0.000011
H        1.680701   -0.212045    0.000006
H       -0.654877    1.562331    0.000005
223
2-Pd
Pd       -0.142429    0.035084    0.159632
Mg        0.152962    2.182314   -1.156424
Mg        1.870442   -1.344588    0.883396
Mg       -2.561638   -0.792358    0.239145
H       -0.510224   -1.476201    0.882259
H       -1.465257    0.957727   -0.416443
N        1.422945    2.604738   -2.725557
C        1.128490    3.543450   -3.616805
C        0.092111    4.486365   -3.471696
H       -0.016421    5.178176   -4.298970
C       -0.673179    4.799708   -2.328526
N       -0.757326    4.044040   -1.238078
C        1.974300    3.680755   -4.867626
H        3.003344    3.954115   -4.610706
H        1.567673    4.442600   -5.535589
H        2.026194    2.728684   -5.406371
C       -1.401281    6.130023   -2.388894
H       -2.483816    5.993932   -2.334286
H       -1.162851    6.662746   -3.311164
H       -1.121669    6.759791   -1.537692
C        2.693674    1.948436   -2.854075
C        3.810537    2.528276   -2.217430
C        5.056710    1.917848   -2.360512
H        5.927739    2.364784   -1.884519
C        5.204476    0.745779   -3.088635
H        6.183739    0.283547   -3.187191
C        4.091299    0.165815   -3.682152
H        4.203380   -0.759061   -4.245220
C        2.828399    0.752789   -3.586061
C        3.703059    3.794955   -1.377594
H        2.660136    4.129102   -1.398584
C        4.076130    3.515683    0.083939
H        3.441987    2.735586    0.524691
H        3.971431    4.424274    0.690210
H        5.116388    3.179498    0.173262
C        4.555711    4.933988   -1.949930
H        4.422534    5.847255   -1.357351
H        4.277681    5.161570   -2.985545
H        5.622999    4.681624   -1.937297
C        1.641669    0.086853   -4.264355
H        0.818678    0.808357   -4.264364
C        1.922001   -0.285003   -5.725199
H        2.285586    0.573588   -6.302316
H        1.004652   -0.651754   -6.200919
H        2.670430   -1.082236   -5.804314
C        1.187160   -1.147343   -3.474427
H        1.972794   -1.914827   -3.452883
H        0.290272   -1.593145   -3.925650
H        0.949327   -0.883786   -2.435454
C       -1.475782    4.588600   -0.120055
C       -2.884928    4.547474   -0.064079
C       -3.531603    5.224885    0.971825
H       -4.619438    5.222243    1.010396
C       -2.818765    5.887705    1.959747
H       -3.341162    6.417174    2.752749
C       -1.431365    5.834142    1.950531
H       -0.876449    6.315300    2.751391
C       -0.739084    5.181938    0.928925
C       -3.733301    3.746431   -1.045827
H       -3.066720    3.330623   -1.811306
C       -4.812927    4.579562   -1.750198
H       -5.540338    4.977039   -1.032505
H       -5.364527    3.953655   -2.462073
H       -4.398103    5.427744   -2.304198
C       -4.402819    2.574101   -0.312117
H       -3.658544    1.945530    0.189523
H       -4.973583    1.949098   -1.010221
H       -5.099840    2.937131    0.453989
C        0.785652    5.149559    0.949163
H        1.107558    4.236740    0.430153
C        1.359824    5.075919    2.367932
H        1.247745    6.025959    2.904397
H        2.430144    4.844874    2.329233
H        0.870027    4.289772    2.953229
C        1.387575    6.337459    0.187062
H        1.111515    6.322395   -0.873050
H        2.482989    6.318591    0.247337
H        1.041940    7.285042    0.619356
N        3.071671   -1.205260    2.559969
C        3.302479   -2.298478    3.268785
C        3.062444   -3.607440    2.797631
H        3.231284   -4.398226    3.519686
C        2.864191   -4.037417    1.469019
N        2.616803   -3.233190    0.438511
C        3.900047   -2.181760    4.655011
H        4.920874   -1.787873    4.593881
H        3.933383   -3.152361    5.153995
H        3.326517   -1.482392    5.271464
C        2.977261   -5.533604    1.247592
H        1.993871   -5.949987    1.006142
H        3.352953   -6.035594    2.141369
H        3.638829   -5.764390    0.407920
C        3.550435    0.058823    3.036202
C        4.842057    0.488218    2.669588
C        5.256904    1.766679    3.046285
H        6.250387    2.109632    2.762309
C        4.425240    2.609948    3.770769
H        4.761324    3.606129    4.048968
C        3.167285    2.163227    4.152793
H        2.522578    2.816544    4.737890
C        2.714707    0.888169    3.808630
C        5.794334   -0.396467    1.877200
H        5.304030   -1.362315    1.713007
C        6.088692    0.211510    0.503057
H        5.169982    0.363339   -0.075037
H        6.752607   -0.441219   -0.077196
H        6.583790    1.186609    0.599780
C        7.097459   -0.661654    2.641307
H        7.667622    0.262565    2.795070
H        7.734499   -1.355618    2.079461
H        6.906364   -1.101344    3.626885
C        1.346282    0.429140    4.283441
H        1.226004   -0.626673    4.014507
C        1.205237    0.535453    5.807572
H        1.998923   -0.010143    6.331811
H        0.239639    0.123507    6.121902
H        1.246133    1.579542    6.141143
C        0.222209    1.202702    3.592819
H        0.238873    2.263450    3.879188
H       -0.747370    0.786938    3.881662
H        0.302076    1.144191    2.498243
C        2.672513   -3.787850   -0.883939
C        1.537265   -4.388497   -1.459523
C        1.628334   -4.907693   -2.753695
H        0.751896   -5.368308   -3.205125
C        2.811418   -4.845860   -3.469983
H        2.869904   -5.261239   -4.473009
C        3.923908   -4.237359   -2.900074
H        4.842469   -4.184331   -3.476365
C        3.881048   -3.691969   -1.615892
C        0.200432   -4.471235   -0.739470
H        0.331313   -4.083259    0.277162
C       -0.314690   -5.913143   -0.633948
H       -0.532032   -6.334281   -1.623064
H       -1.245605   -5.945835   -0.054185
H        0.409787   -6.576962   -0.149873
C       -0.836554   -3.587593   -1.440241
H       -0.488004   -2.553050   -1.519459
H       -1.777463   -3.588236   -0.874027
H       -1.059268   -3.948261   -2.452525
C        5.115512   -3.002454   -1.035772
H        4.765192   -2.087535   -0.538129
C        6.127878   -2.591375   -2.109386
H        6.897829   -1.948779   -1.668361
H        6.640782   -3.464320   -2.531962
H        5.654916   -2.040167   -2.927049
C        5.847342   -3.850472    0.016511
H        6.768081   -3.341160    0.329588
H        5.249338   -4.020245    0.915093
H        6.131346   -4.823899   -0.403809
N       -3.852474   -0.978733    1.854083
C       -5.168304   -1.005428    1.719392
C       -5.841531   -0.870142    0.485626
H       -6.917073   -0.751583    0.561310
C       -5.343042   -1.007132   -0.817001
N       -4.070096   -1.264462   -1.127381
C       -6.068968   -1.183208    2.928127
H       -5.641448   -1.895977    3.638760
H       -7.053439   -1.539538    2.617262
H       -6.204788   -0.236455    3.461176
C       -6.372377   -0.836868   -1.921352
H       -6.245865    0.158365   -2.364891
H       -7.389025   -0.901033   -1.527067
H       -6.257229   -1.566394   -2.725388
C       -3.298841   -1.053662    3.172095
C       -2.620270   -2.228211    3.561645
C       -2.087996   -2.292262    4.850265
H       -1.569904   -3.190305    5.174603
C       -2.214161   -1.227642    5.734169
H       -1.805777   -1.302561    6.739386
C       -2.854074   -0.065913    5.325125
H       -2.924539    0.773248    6.013684
C       -3.396413    0.051381    4.043814
C       -2.505738   -3.420657    2.618054
H       -2.391899   -3.029141    1.598909
C       -1.276052   -4.292917    2.883479
H       -1.356973   -4.838034    3.831690
H       -0.355177   -3.697078    2.906652
H       -1.175639   -5.042904    2.089949
C       -3.781759   -4.272939    2.629780
H       -3.967381   -4.678902    3.632067
H       -3.684116   -5.116887    1.934313
H       -4.659161   -3.690576    2.327974
C       -4.025889    1.375047    3.619179
H       -4.621145    1.203668    2.716848
C       -4.961566    1.957996    4.686223
H       -5.701614    1.226782    5.031897
H       -5.498471    2.823506    4.281424
H       -4.405234    2.305284    5.564711
C       -2.951747    2.404903    3.248401
H       -2.319983    2.639664    4.114032
H       -3.415836    3.335951    2.906010
H       -2.297588    2.041930    2.446099
C       -3.814770   -1.778312   -2.443199
C       -3.388884   -0.939270   -3.489863
C       -3.147153   -1.501194   -4.747423
H       -2.822542   -0.858444   -5.563741
C       -3.331669   -2.854647   -4.979831
H       -3.148773   -3.272117   -5.966843
C       -3.755831   -3.675201   -3.940732
H       -3.895107   -4.736632   -4.129093
C       -3.995462   -3.166687   -2.664745
C       -3.210467    0.562717   -3.316556
H       -3.404609    0.805967   -2.266502
C       -4.195461    1.361089   -4.181142
H       -4.012870    1.187119   -5.248641
H       -4.080174    2.436924   -3.996829
H       -5.236514    1.088603   -3.977477
C       -1.775752    0.990553   -3.635544
H       -1.062848    0.417353   -3.033508
H       -1.635071    2.064835   -3.445091
H       -1.531240    0.818501   -4.691764
C       -4.450534   -4.109421   -1.549977
H       -4.089122   -3.691246   -0.600538
C       -3.880299   -5.526664   -1.692642
H       -4.387344   -6.085309   -2.488992
H       -4.037481   -6.084288   -0.761416
H       -2.809106   -5.523546   -1.911578
C       -5.980973   -4.217373   -1.450412
H       -6.449372   -3.283591   -1.131963
H       -6.252949   -4.986206   -0.716980
H       -6.408765   -4.508671   -2.418135
H        1.480880    0.548380   -0.055641
9
Model_PdMg2H2(PH3)
Pd       -0.000970   -0.007481    0.143312
H        0.913014    1.368101    0.273623
H       -0.917268   -1.385135    0.198034
Mg       -0.912340   -1.398960   -1.702875
Mg        0.968919    1.435872   -1.630385
P       -0.019235   -0.015558    2.504208
H       -0.564378    1.131015    3.093704
H       -0.712511   -1.043187    3.151158
H        1.244770   -0.084668    3.101683
201
3-Pt
Pt       12.552287    3.456191    3.324838
Mg       14.172495    5.440288    2.800743
Mg       10.880824    4.766934    1.788200
P       12.561997    1.435205    4.610838
N       16.068425    5.196498    1.974262
C       16.769994    6.214291    1.490755
C       16.469286    7.571708    1.712077
H       17.158272    8.275760    1.259104
C       15.527938    8.135398    2.592877
N       14.528757    7.469779    3.164309
C       18.038581    5.952573    0.700708
H       18.842162    5.611350    1.363042
H       18.374061    6.860293    0.194460
H       17.885403    5.163787   -0.041798
C       15.726338    9.610024    2.892598
H       14.888231   10.206575    2.519748
H       16.644974    9.979869    2.433587
H       15.780195    9.781864    3.972639
C       16.707512    3.911680    1.945755
C       17.656337    3.606854    2.947980
C       18.335831    2.392074    2.882481
H       19.078888    2.153144    3.641026
C       18.077912    1.475449    1.870153
H       18.623962    0.535862    1.829700
C       17.108480    1.763741    0.922680
H       16.894012    1.039692    0.138965
C       16.411453    2.975772    0.939464
C       17.930125    4.550597    4.113546
H       17.461676    5.515596    3.892472
C       17.279495    4.007086    5.393043
H       16.198095    3.874045    5.261268
H       17.442287    4.694002    6.233711
H       17.707842    3.033736    5.666859
C       19.424187    4.810296    4.337823
H       19.953205    3.903756    4.654822
H       19.562324    5.562102    5.123750
H       19.910761    5.179714    3.427846
C       15.374179    3.236973   -0.139891
H       14.968303    4.242476    0.014892
C       15.991805    3.202414   -1.543387
H       16.808183    3.928124   -1.643228
H       15.230566    3.438559   -2.294968
H       16.398358    2.210903   -1.777826
C       14.209621    2.245809   -0.025982
H       14.552011    1.212057   -0.171535
H       13.450492    2.463456   -0.786202
H       13.735791    2.316790    0.962202
C       13.743816    8.175792    4.135824
C       12.698884    9.036571    3.735653
C       11.990411    9.732820    4.716529
H       11.184734   10.401116    4.418525
C       12.303826    9.604783    6.063675
H       11.752859   10.170630    6.810970
C       13.316667    8.737130    6.447247
H       13.551615    8.624223    7.503762
C       14.034733    7.998352    5.504494
C       12.313863    9.224731    2.273253
H       13.093087    8.763968    1.656533
C       12.201154   10.700061    1.866585
H       12.045289   10.780598    0.784330
H       13.100191   11.271014    2.123581
H       11.349871   11.188165    2.355454
C       10.998067    8.504009    1.963782
H       11.071913    7.435497    2.198853
H       10.726079    8.601704    0.906357
H       10.172417    8.911363    2.561652
C       15.114886    7.039067    5.988460
H       15.488446    6.482687    5.121091
C       14.549222    6.017997    6.983749
H       14.176107    6.504146    7.893397
H       15.326126    5.304746    7.283653
H       13.723469    5.451863    6.536851
C       16.309256    7.794381    6.583853
H       16.747588    8.484658    5.853528
H       17.092079    7.092534    6.897158
H       16.011499    8.379262    7.462941
N        8.959423    5.308359    2.388464
C        8.203897    6.152847    1.697618
C        8.482666    6.586463    0.387565
H        7.762342    7.279071   -0.032518
C        9.447854    6.104618   -0.515967
N       10.469442    5.317386   -0.190988
C        6.912218    6.675880    2.297744
H        6.209829    5.857288    2.487437
H        6.434780    7.397657    1.632097
H        7.101549    7.157160    3.263192
C        9.243522    6.530538   -1.959200
H       10.030576    7.221156   -2.277902
H        8.280215    7.028874   -2.083029
H        9.282620    5.669900   -2.634023
C        8.368646    4.741700    3.567525
C        7.610885    3.559243    3.440362
C        6.971290    3.045275    4.569833
H        6.372003    2.141012    4.478981
C        7.070447    3.677970    5.801460
H        6.542708    3.281654    6.665869
C        7.855783    4.816927    5.923469
H        7.948439    5.299829    6.894275
C        8.520385    5.361148    4.823082
C        7.456691    2.836421    2.108160
H        7.976925    3.422667    1.343210
C        8.117435    1.453155    2.157270
H        9.188826    1.541385    2.375311
H        8.003071    0.936384    1.195311
H        7.664269    0.820558    2.931645
C        5.988827    2.726976    1.678294
H        5.407204    2.115227    2.378521
H        5.914453    2.260433    0.688448
H        5.514380    3.713399    1.621562
C        9.408953    6.580183    5.008705
H        9.656432    6.968169    4.015235
C        8.730111    7.712703    5.786596
H        7.777437    8.008131    5.330560
H        9.386871    8.590329    5.810388
H        8.527975    7.427819    6.826147
C       10.723491    6.171336    5.684345
H       10.535021    5.783885    6.695455
H       11.396652    7.030422    5.770936
H       11.236803    5.388741    5.109087
C       11.259526    4.795616   -1.268385
C       12.263749    5.574477   -1.879012
C       12.964849    5.035262   -2.959863
H       13.740094    5.627704   -3.441636
C       12.685090    3.764042   -3.439838
H       13.229166    3.368613   -4.294227
C       11.717985    2.992236   -2.808908
H       11.522067    1.987694   -3.173741
C       11.007453    3.477731   -1.710248
C       12.619868    6.974995   -1.395925
H       11.839220    7.303281   -0.701020
C       12.700500    8.000916   -2.534351
H       13.561395    7.811517   -3.186147
H       12.820389    9.010002   -2.122857
H       11.803537    7.993883   -3.163482
C       13.942544    6.958037   -0.623429
H       14.765717    6.592832   -1.251276
H       13.879684    6.293681    0.246274
H       14.210671    7.958853   -0.265667
C        9.967516    2.597801   -1.024541
H        9.941668    2.880237    0.035758
C       10.318416    1.107937   -1.075478
H       10.217360    0.695560   -2.086710
H        9.638831    0.543366   -0.427574
H       11.343097    0.925757   -0.730157
C        8.560279    2.833794   -1.589033
H        8.227353    3.865601   -1.433623
H        7.834770    2.172250   -1.098221
H        8.535965    2.622036   -2.665549
C       14.255990    0.846553    5.166566
H       14.762640    1.792687    5.412569
C       15.052864    0.209469    4.014686
H       15.067024    0.881688    3.145666
H       14.559277   -0.720069    3.697966
C       16.485804   -0.129162    4.435290
H       17.011653   -0.600590    3.596164
H       17.024187    0.803202    4.652774
C       16.516380   -1.029328    5.668498
H       17.551766   -1.241425    5.963061
H       16.050020   -1.997576    5.430973
C       15.757339   -0.371581    6.818602
H       16.272119    0.558233    7.104740
H       15.757518   -1.017844    7.705333
C       14.313821   -0.043752    6.423606
H       13.772011   -0.982781    6.249459
H       13.824703    0.448733    7.270798
C       11.662968    0.018587    3.794660
H       10.630562    0.401412    3.787772
C       12.031837   -0.187099    2.314249
H       13.064470   -0.548475    2.221437
H       11.986008    0.774589    1.789514
C       11.088828   -1.197866    1.652058
H       10.071181   -0.778755    1.629732
H       11.385966   -1.353711    0.607114
C       11.062399   -2.529791    2.403721
H       10.356642   -3.222800    1.929254
H       12.055357   -3.000326    2.344793
C       10.694824   -2.318653    3.873125
H       10.710105   -3.272927    4.414375
H        9.665921   -1.933576    3.938446
C       11.646417   -1.322708    4.544379
H       12.657502   -1.753829    4.551133
H       11.354776   -1.181043    5.593151
C       11.670236    1.599308    6.234937
H       11.836977    0.665301    6.790177
C       10.149430    1.777570    6.115756
H        9.920536    2.701698    5.565502
H        9.698426    0.952707    5.550062
C        9.516274    1.826669    7.510779
H        8.431484    1.950153    7.418552
H        9.684333    0.862319    8.015008
C       10.107868    2.950633    8.362194
H        9.667851    2.941571    9.367493
H        9.842696    3.915313    7.906281
C       11.631345    2.837692    8.447756
H       12.048007    3.692946    8.995225
H       11.897574    1.936312    9.021136
C       12.264428    2.756985    7.056031
H       13.354386    2.659494    7.148709
H       12.085479    3.693657    6.511837
H       13.894958    3.991631    4.148476
H       11.204870    2.937534    2.501570
