     62
[Nb2(CH3CN)10]4+
  N      -2.02505        0.92567        1.55992
  N      -1.45139       -1.64180        1.75641
  Nb      0.03014        0.00190        1.19278
  N       1.16424       -1.94776        1.55324
  H       5.37450        0.29199        2.00301
  C       4.63441        0.93000        2.49791
  H       4.65024        0.72188        3.57411
  H       4.90897        1.97862        2.33980
  C       3.30353        0.67066        1.96462
  N       2.23931        0.46073        1.55347
  N       0.27215        2.21608        1.69985
  H      -5.30980       -0.35796       -2.28308
  C      -4.56241       -1.08901       -2.60997
  H      -4.50332       -1.06809       -3.70445
  H      -4.88268       -2.08740       -2.29289
  C      -3.26022       -0.77093       -2.03922
  N      -1.18724        1.91251       -1.65565
  N      -2.21735       -0.51734       -1.59885
  Nb     -0.02900       -0.00118       -1.19298
  N       1.44157        1.70757       -1.55280
  N      -0.23146       -2.25181       -1.52453
  N       1.99764       -0.86266       -1.79220
  C      -0.34291       -3.34165       -1.90558
  H      -1.43499       -5.13352       -2.06312
  C      -0.48499       -4.70483       -2.40027
  H      -0.46655       -4.70744       -3.49632
  H       0.33546       -5.33062       -2.03272
  C       2.14255        2.54515       -1.94325
  C       3.01583        3.59592       -2.44965
  H       4.01629        3.50375       -2.01341
  H       2.60879        4.58082       -2.19593
  H       3.09783        3.51958       -3.54009
  C      -1.73975        2.81734       -2.12668
  C      -2.42929        3.94791       -2.73393
  H      -1.99135        4.16745       -3.71455
  H      -2.34234        4.83601       -2.09885
  H      -3.49050        3.71255       -2.87112
  C       2.94033       -1.26789       -2.33358
  C       4.11669       -1.77389       -3.02790
  H       4.34055       -2.79507       -2.70062
  H       4.98370       -1.13756       -2.81981
  H       3.93541       -1.78081       -4.10909
  C       1.72390       -2.88058        1.95587
  C       2.42654       -4.04567        2.47727
  H       1.91277       -4.96542        2.17739
  H       2.45878       -4.00175        3.57214
  H       3.45268       -4.07285        2.09495
  C      -3.01732        1.37547        1.95792
  C      -4.25761        1.93915        2.47468
  C       0.38898        3.25939        2.19357
  C       0.53432        4.56180        2.82995
  H       1.48352        5.02389        2.53769
  H       0.51931        4.44600        3.91998
  H      -0.28689        5.22341        2.53364
  H      -5.10858        1.31255        2.18641
  H      -4.41130        2.94842        2.07781
  H      -4.21475        1.99289        3.56874
  C      -2.14701       -2.40979        2.27824
  C      -3.01545       -3.36736        2.94986
  H      -4.06488       -3.07804        2.82715
  H      -2.78023       -3.39400        4.02021
  H      -2.87431       -4.36963        2.53108
     56
[Nb2(CH3CN)9]4+
  N      -2.46255        1.49919       -0.07098
  N      -2.43924       -1.53738       -0.04947
  Nb     -1.02893       -0.00264        0.70699
  N      -0.39069       -1.50866        2.20021
  N      -0.41444        1.53815        2.17509
  H      -2.17949        0.68288       -5.39946
  C      -1.50856       -0.16652       -5.23015
  H      -0.69127       -0.12353       -5.95981
  H      -2.06922       -1.09545       -5.38193
  C      -0.96688       -0.11979       -3.87927
  N       0.50615        2.10544       -1.74514
  N      -0.52517       -0.08197       -2.80697
  Nb      0.72774       -0.00214       -0.90692
  N       2.24254        1.37779        0.09564
  N       0.60581       -2.15956       -1.62893
  N       2.30856       -1.25022        0.16450
  C       0.71992       -3.20216       -2.12525
  H       0.04909       -4.69414       -3.44734
  C       0.87607       -4.50645       -2.75365
  H       1.81817       -4.53847       -3.31364
  H       0.88747       -5.29542       -1.99355
  C       3.13959        2.03695        0.42269
  C       4.27403        2.85925        0.82011
  H       4.63714        2.55362        1.80761
  H       3.98223        3.91454        0.85991
  H       5.08712        2.74596        0.09339
  C       0.57214        3.12362       -2.29766
  C       0.66826        4.39752       -2.99657
  H       1.58727        4.42479       -3.59387
  H       0.68720        5.22437       -2.27799
  H      -0.18939        4.52858       -3.66559
  C       3.23797       -1.84420        0.52456
  C       4.41285       -2.58448        0.96346
  H       4.16152       -3.63976        1.11683
  H       4.79309       -2.16979        1.90362
  H       5.19972       -2.51661        0.20295
  C      -0.28979       -2.22920        3.10790
  C      -0.17344       -3.12541        4.24510
  H      -0.08699       -4.16211        3.89873
  H      -1.05956       -3.03572        4.88483
  H       0.71686       -2.87200        4.83292
  C      -3.35732        2.22063       -0.24999
  C      -4.47884        3.11869       -0.46458
  C      -0.32560        2.27787        3.06847
  C      -0.22357        3.19800        4.18789
  H       0.63729        2.93222        4.81300
  H      -1.13391        3.14910        4.79748
  H      -0.09363        4.22323        3.82164
  H      -4.89040        2.97445       -1.47042
  H      -4.14908        4.15949       -0.36214
  H      -5.26402        2.92088        0.27500
  C      -3.32360       -2.27331       -0.22099
  C      -4.43254       -3.18891       -0.42677
  H      -4.85701       -3.04756       -1.42766
  H      -5.21299       -3.00612        0.32159
  H      -4.08520       -4.22471       -0.33200
     50
[Nb2(CH3CN)8]4+
  Nb     -0.00239       -1.18952        0.00976
  Nb     -0.00695        1.19284        0.00859
  N       0.80672       -1.68302        2.00818
  C       1.20345       -2.18563        2.97994
  C       1.69795       -2.81817        4.18919
  N      -0.81039       -1.68922       -1.98777
  C      -1.20043       -2.19537       -2.96038
  C      -1.68564       -2.83229       -4.17117
  N       1.99596       -1.68445       -0.79927
  C       2.96851       -2.18915       -1.19137
  C       4.17901       -2.82437       -1.67953
  N      -1.99959       -1.68877        0.81833
  C      -2.97150       -2.19479        1.21034
  C      -4.18090       -2.83165        1.69906
  N       0.82498        1.69013       -1.97960
  C       1.22705        2.19543       -2.94778
  C       1.72784        2.83128       -4.15276
  N      -0.84164        1.68874        1.99597
  C      -1.24494        2.19313        2.96411
  C      -1.74656        2.82798        4.16928
  N       1.98017        1.69377        0.84090
  C       2.94603        2.20089        1.24625
  C       4.14800        2.83911        1.75122
  N      -1.99585        1.68569       -0.82435
  C      -2.96397        2.18885       -1.22921
  C      -4.16907        2.82218       -1.73293
  H       2.76303        2.52006       -4.33835
  H       1.69668        3.92205       -4.04143
  H       1.11154        2.54203       -5.01270
  H       5.02308        2.48884        1.19055
  H       4.28490        2.59295        2.81130
  H       4.06677        3.92783        1.64518
  H       1.22278       -2.37078        5.07041
  H       1.47620       -3.89220        4.16756
  H       2.78376       -2.68104        4.26403
  H      -5.04754       -2.48264        1.12469
  H      -4.33331       -2.58295        2.75642
  H      -4.09826       -3.92062        1.59691
  H      -1.92938        3.89331        3.98269
  H      -2.68261        2.35221        4.48526
  H      -1.00931        2.73043        4.97574
  H       5.02293       -2.57355       -1.02535
  H       4.40258       -2.47589       -2.69509
  H       4.05050       -3.91360       -1.69459
  H      -2.67481       -2.43798       -4.43331
  H      -1.75981       -3.91621       -4.02032
  H      -0.99448       -2.63445       -4.99965
  H      -4.04743        3.91229       -1.73262
  H      -5.02377        2.55808       -1.09827
  H      -4.37062        2.48462       -2.75678
     44
[Nb2(CH3CN)7]4+
  Nb      0.00103        1.35269        0.09249
  Nb     -0.00183       -0.96064       -0.50749
  N       1.61240        1.54093        1.50160
  C       2.40956        1.91115        2.26948
  C       3.39432        2.37906        3.22097
  N      -1.92958        1.72536        0.95576
  C      -2.87771        2.18713        1.45588
  C      -4.04972        2.76731        2.07521
  N       0.34569        2.42006       -1.73886
  C       0.51804        3.22472       -2.56657
  C       0.72974        4.22835       -3.58722
  N      -2.12945       -1.54369       -0.43418
  C      -3.16784       -2.06882       -0.47675
  C      -4.45871       -2.72775       -0.53285
  N       2.14827       -1.28112       -0.85950
  C       3.21540       -1.67332       -1.11369
  C       4.54223       -2.16369       -1.43101
  N       0.20708       -1.89024        1.47821
  C       0.29096       -2.59059        2.40536
  C       0.39449       -3.46429        3.55759
  N      -0.25228       -0.95407       -2.70017
  C      -0.39062       -1.19611       -3.83072
  C      -0.56405       -1.50344       -5.23751
  H      -4.89027       -2.79205        0.47396
  H      -4.34362       -3.74169       -0.93620
  H      -5.14185       -2.16034       -1.17733
  H      -0.22890       -3.08405        4.37649
  H       1.43738       -3.51077        3.89657
  H       0.06355       -4.47598        3.29072
  H       4.00806        3.16418        2.75833
  H       4.04192        1.55494        3.54376
  H       2.88540        2.80587        4.09619
  H      -0.19367        4.36376       -4.16694
  H       1.53387        3.91447       -4.26514
  H       0.99975        5.18508       -3.12122
  H       5.10727       -1.39825       -1.97736
  H       4.46878       -3.06851       -2.04760
  H       5.07864       -2.40923       -0.50539
  H      -4.82168        2.93949        1.31266
  H      -3.79065        3.72700        2.54132
  H      -4.44857        2.08803        2.83959
  H      -0.67720       -2.58649       -5.37238
  H       0.31112       -1.16357       -5.80551
  H      -1.45776       -0.99801       -5.62458
     38
[Nb2(CH3CN)6]4+
  Nb     -0.02958        1.19153       -0.59050
  Nb      0.02623       -1.19150       -0.57382
  N       2.04894        1.70927       -0.59388
  C       3.09228        2.23538       -0.59737
  C       4.37995        2.89053       -0.60186
  N      -1.08589        1.64834        1.21610
  C      -1.62571        2.14357        2.12642
  C      -2.29215        2.76066        3.24998
  N      -1.08520        1.62323       -2.40369
  C      -1.62503        2.10594       -3.32070
  C      -2.29137        2.70757       -4.45268
  N      -2.05231       -1.70926       -0.56889
  C      -3.09567       -2.23530       -0.56512
  C      -4.38339       -2.89035       -0.56041
  N       1.08293       -1.62279        1.23881
  C       1.62379       -2.10535        2.15531
  C       2.29133       -2.70686        3.28664
  N       1.08185       -1.64838       -2.38086
  C       1.61959       -2.14383       -3.29229
  C       2.28387       -2.76115       -4.41700
  H      -5.19256       -2.14961       -0.59327
  H      -4.48281       -3.49857        0.35012
  H      -4.46117       -3.55493       -1.43277
  H       4.46883        3.53257        0.28622
  H       4.46798        3.52186       -1.49767
  H       5.18934        2.14931       -0.59778
  H      -3.11184        3.34810       -4.09873
  H      -2.69434        1.93371       -5.11848
  H      -1.57803        3.33205       -5.00949
  H       3.12775       -3.32664        2.93299
  H       1.58558       -3.35197        3.82937
  H       2.67283       -1.93303        3.96501
  H      -1.58240        3.40325        3.79051
  H      -2.68385        1.99605        3.93297
  H      -3.12099        3.38569        2.88788
  H       1.57958       -3.42169       -4.94275
  H       3.12754       -3.36775       -4.05774
  H       2.65479       -1.99713       -5.11214
     32
[Nb2(CH3CN)5]4+
  Nb     -0.09892        1.01752       -0.25174
  Nb     -0.38935       -1.24257       -0.96119
  N       0.50930        0.86359        1.79247
  C       0.84739        1.05431        2.89614
  C       1.26369        1.29487        4.25568
  N      -2.01394        1.80807       -0.73560
  C      -2.96366        2.45775       -0.95367
  C      -4.13183        3.25684       -1.22413
  N       1.27877        1.69311       -1.72534
  C       1.99193        2.28017       -2.44532
  C       2.86729        3.00447       -3.33160
  N      -1.83721       -1.98031        0.38386
  C      -2.62670       -2.62465        0.96230
  C      -3.60100       -3.41912        1.66500
  N       1.51472       -2.08898       -0.63288
  C       2.45455       -2.78680       -0.57981
  C       3.60763       -3.64788       -0.52254
  H      -3.86423       -2.95027        2.62308
  H      -3.19949       -4.42826        1.84300
  H      -4.50847       -3.51244        1.04693
  H       2.15308        1.94266        4.26035
  H       1.49928        0.34728        4.75885
  H       0.45687        1.80607        4.80234
  H       3.23031        2.34883       -4.13533
  H       3.72453        3.39756       -2.76375
  H       2.32314        3.85362       -3.77306
  H      -4.92433        3.00993       -0.50118
  H      -4.50161        3.05051       -2.23953
  H      -3.88592        4.32494       -1.13398
  H       3.38609       -4.51849        0.11416
  H       4.47525       -3.10877       -0.11852
  H       3.84183       -4.01325       -1.53498
     26
[Nb2(CH3CN)4]4+
  Nb     -1.00555       -0.71918       -0.95350
  Nb     -0.98731        0.71704        0.94549
  N       0.64703       -1.92457       -0.51910
  C       1.51122       -2.72092       -0.49589
  C       2.56900       -3.69058       -0.47186
  N      -2.65280       -1.92082       -0.48949
  C      -3.51839       -2.71506       -0.45085
  C      -4.57787       -3.68220       -0.40793
  N       0.66023        1.91851        0.48199
  C       1.52515        2.71351        0.44370
  C       2.58397        3.68140        0.40108
  N      -2.63965        1.92240        0.51003
  C      -3.50372        2.71890        0.48638
  C      -4.56128        3.68878        0.46177
  H       3.32925        3.44391        1.18011
  H       2.17897        4.68542        0.61059
  H       3.07423        3.67840       -0.58413
  H       2.15425       -4.69749       -0.64586
  H       3.09443       -3.66941        0.49477
  H       3.28578       -3.47155       -1.28234
  H      -5.28542       -3.48849       -1.23275
  H      -5.11310       -3.63104        0.55214
  H      -4.16218       -4.69444       -0.54569
  H      -4.14206        4.69891        0.60405
  H      -5.26134        3.48957        1.29168
  H      -5.10600        3.64667       -0.49340
     20
[Nb2(CH3CN)3]4+
  Nb     -0.00372        0.59988        0.72472
  Nb      0.01462       -1.07790       -0.97290
  N       1.70688        1.61612        0.13971
  C       2.63825        2.33356        0.03029
  C       3.76783        3.19721       -0.09836
  N      -1.69741        1.62012        0.09852
  C      -2.62601        2.33789       -0.03042
  C      -3.75121        3.20313       -0.18419
  N      -0.00365       -2.75739        0.20095
  C      -0.01122       -3.86658        0.61554
  C      -0.02026       -5.20044        1.11265
  H       3.55784        4.17198        0.37628
  H       4.01945        3.34655       -1.16339
  H       4.64116        2.74128        0.40736
  H      -4.68242        2.60875       -0.23075
  H      -3.65848        3.77471       -1.12710
  H      -3.80905        3.90912        0.66259
  H      -0.03379       -5.21456        2.21559
  H       0.87522       -5.74020        0.74312
  H      -0.90884       -5.73625        0.72134
     70
1a
  Nb      1.02590        0.00193       -0.85033
  N       0.85783       -1.96006       -1.92649
  C       1.02763       -2.87344       -2.62244
  C       1.23294       -4.00150       -3.50798
  N       0.85536        1.97066       -1.91357
  C       1.02244        2.88960       -2.60280
  C       1.22399        4.02502       -3.47977
  N       0.46301        1.79477        2.35241
  C       0.65608        2.61343        3.15544
  C       0.87801        3.62358        4.16666
  N       0.46057       -1.80254        2.34761
  C       0.65128       -2.62302        3.14935
  C       0.86999       -3.63550        4.15896
  H       1.81015        3.40531        4.71493
  H       0.03865        3.62755        4.88279
  H       0.96081        4.61939        3.70034
  H       1.82677       -3.44890        4.67544
  H       0.90165       -4.63570        3.69560
  H       0.05452       -3.60630        4.90164
  H       2.06306       -3.78583       -4.20171
  H       0.31985       -4.19136       -4.09659
  H       1.47567       -4.90546       -2.92573
  H       1.45298        4.92775       -2.89008
  H       0.31388        4.20943       -4.07474
  H       2.06177        3.82179       -4.16802
  Nb     -0.08728       -0.00192        1.19906
  H      -2.44722        3.86569       -0.25837
  H      -0.70319        3.61506        0.11225
  H      -1.91965        3.59924        1.42642
  C      -1.72867        3.32690        0.37822
  H      -1.59455        2.08939       -2.14210
  H      -4.29498        2.06950        0.41084
  P      -1.94999        1.51968        0.18296
  C      -2.01939        1.21228       -1.64516
  C      -3.70149        1.21126        0.76196
  H      -3.69818        1.25017        1.87281
  H      -3.06998        1.11249       -1.96466
  H      -6.05227        0.88712       -0.43658
  N      -1.24232        0.00436       -2.04169
  C      -5.71989       -0.00243        0.11611
  N      -4.24721       -0.00192        0.20658
  H      -6.20476       -0.00483        1.10924
  C      -3.70027       -1.21701        0.75656
  H      -6.05141       -0.88988       -0.44047
  C      -2.01802       -1.20621       -1.65061
  P      -1.94846       -1.52121        0.17621
  H      -3.69683       -1.26077        1.86722
  H      -3.06868       -1.10640       -1.96995
  H      -4.29298       -2.07427        0.40173
  H      -1.59187       -2.08067       -2.15110
  C      -1.72548       -3.32905        0.36371
  H      -1.91601       -3.60602        1.41077
  H      -2.44372       -3.86571       -0.27502
  H      -0.57186        0.89979       -3.85306
  C      -1.11810        0.00800       -3.52732
  H      -0.57203       -0.88223       -3.85750
  H      -2.11223        0.00922       -4.00262
  H      -0.69983       -3.61522        0.09619
  N       2.67589        1.32564       -0.11824
  C       3.61178        1.96476        0.12471
  H       4.53155        3.82713        0.44815
  C       4.79199        2.75680        0.41311
  H       5.54712        2.60354       -0.37591
  H       5.22435        2.46147        1.38274
  N       2.67031       -1.32907       -0.11849
  C       3.60284       -1.97253        0.12592
  H       5.53586       -2.62101       -0.37161
  C       4.77882       -2.77013        0.41637
  H       4.51312       -3.83916        0.45164
  H       5.21125       -2.47631        1.38643
     70
1b
  Nb      0.65739        0.52961       -0.98170
  Nb      0.52198       -0.55380        1.05772
  N       0.05545        2.58192       -0.38182
  C      -0.15244        3.71744       -0.26187
  C      -0.40710        5.13937       -0.13989
  N       1.94444       -0.70554       -2.28811
  C       2.60775       -1.17191       -3.11943
  C       3.42824       -1.74056       -4.16841
  N       2.59934        1.61718       -0.82034
  C       3.58355        2.22158       -0.92166
  C       4.80925        2.98157       -1.06645
  N       1.26327       -2.58271        0.65377
  C       1.66713       -3.67274        0.67170
  C       2.16770       -5.02963        0.71023
  N      -0.28550        1.01726        2.35904
  C      -0.64374        1.69459        3.23274
  C      -1.08305        2.51780        4.33956
  N       2.45866       -0.16225        2.06812
  C       3.39900       -0.09547        2.74612
  C       4.56345       -0.02341        3.60269
  H       1.67109       -5.64155       -0.06130
  H       1.97688       -5.47473        1.70141
  H       3.25444       -5.03216        0.52033
  H       0.22469        5.57531        0.65102
  H      -1.46637        5.31749        0.10758
  H      -0.17879        5.64212       -1.09489
  H       5.67674        2.30157       -1.07442
  H       4.91830        3.69262       -0.23154
  H       4.79039        3.54387       -2.01497
  H      -2.00610        3.05821        4.07283
  H      -0.30007        3.25156        4.59475
  H      -1.27924        1.88649        5.22273
  H       4.43731       -1.96161       -3.78309
  H       3.51133       -1.02706       -5.00558
  H       2.97447       -2.67378       -4.54113
  H       4.38879       -0.60533        4.52324
  H       4.76794        1.02530        3.87504
  H       5.44226       -0.43556        3.07938
  H      -5.86357       -0.43559        0.45720
  H      -5.70596        0.75741       -0.84544
  H      -3.72758       -2.37620       -0.39594
  H      -3.78150       -0.73689       -2.12451
  C      -5.37064        0.50351        0.16979
  C      -2.63261       -2.45149       -0.46403
  C      -2.70934       -0.84232       -2.33640
  H      -2.35072       -3.50142       -0.29497
  H      -2.55411       -0.84660       -3.42576
  N      -2.18601       -2.03729       -1.75944
  H      -3.13541       -3.17829        2.37392
  H      -3.08915        1.91904       -3.47375
  H      -5.70309        1.29997        0.86003
  N      -3.90884        0.31835        0.17790
  H      -0.49777       -3.27437       -1.72786
  C      -0.83892       -2.29218       -2.07873
  H      -0.63417       -2.17721       -3.15118
  H      -4.14102       -0.86882        1.86261
  H      -3.80331        2.04144       -0.98470
  C      -2.14373       -2.70020        2.40729
  C      -3.36450       -0.26756        1.36728
  C      -2.05470        1.92646       -3.09546
  C      -3.13767        1.37115       -0.42204
  P      -1.96029       -1.48467        1.03961
  P      -1.87553        0.75288       -1.69386
  H      -1.37005       -3.47795        2.33381
  H      -1.37455        1.65232       -3.91545
  H      -2.03243       -2.19115        3.37664
  H      -1.81061        2.94710       -2.76685
  H      -0.16350       -1.53279       -1.52914
  H      -3.00053        0.47065        2.10973
  H      -2.59332        1.99098        0.31513
     70
1c
  Nb     -1.48892        0.93083       -0.05430
  N      -1.80538        1.40501        2.06989
  C      -2.10554        1.82938        3.10855
  C      -2.50151        2.36828        4.39271
  N      -1.82342        1.12238       -2.21860
  C      -2.18910        1.33198       -3.30061
  C      -2.64107        1.59532       -4.64931
  N      -3.36432       -0.20166        0.04933
  C      -4.45854       -0.59039        0.06980
  C      -5.82507       -1.06516        0.09519
  N      -0.32090        2.78969       -0.16763
  C       0.02393        3.89705       -0.25455
  C       0.45335        5.27340       -0.36007
  N      -0.57495       -2.21198       -1.63053
  C      -0.84323       -3.09933       -2.33273
  C      -1.17680       -4.20261       -3.20581
  N      -0.52856       -1.93594        1.97221
  C      -0.75328       -2.69308        2.82761
  C      -1.03322       -3.63627        3.89320
  H      -2.24222       -4.16073       -3.48553
  H      -0.97166       -5.15942       -2.69676
  H      -0.56358       -4.15321       -4.12167
  H      -0.86951       -4.66672        3.53389
  H      -2.07681       -3.53217        4.23313
  H      -0.35757       -3.44916        4.74516
  H      -3.29487        3.12224        4.25303
  H      -1.63750        2.84513        4.88491
  H      -2.88158        1.56216        5.04177
  H       1.39550        5.33515       -0.93451
  H       0.60576        5.69358        0.65177
  H      -0.32630        5.86795       -0.87358
  H      -5.94846       -1.83049        0.87921
  H      -6.08400       -1.50965       -0.88045
  H      -6.51110       -0.22514        0.29755
  H      -1.86138        1.31965       -5.37730
  H      -2.88454        2.66537       -4.76140
  H      -3.55163        1.00713       -4.85582
  H       1.04192        0.75431       -3.66612
  H       0.93944       -1.03115       -3.63988
  C       1.56419       -0.16901       -3.37512
  H       2.51710       -0.22495       -3.92341
  H       3.58774        1.41435       -2.23124
  H       2.88686       -2.29470       -1.95217
  P       1.87763       -0.13121       -1.57058
  C       3.01996       -1.54245       -1.16134
  C       2.90797        1.40706       -1.36514
  H       4.07595       -1.21460       -1.18183
  H       5.51557        1.85085       -1.11071
  H       2.23631        2.28593       -1.47326
  H       2.61654       -3.97829        1.15139
  C       4.93389        2.17102       -0.23518
  C       3.01248       -3.54892        0.22048
  Nb     -0.03973       -0.89340        0.06658
  N       3.69016        1.39065       -0.15820
  N       2.61166       -2.13360        0.12065
  H       4.75012        3.25990       -0.31232
  H       4.10994       -3.67773        0.21529
  H       5.54322        1.98122        0.65917
  H       2.59295       -4.11047       -0.62580
  C       3.05499       -1.36036        1.28895
  C       2.94604        1.58615        1.05738
  H       4.11040       -1.03585        1.23089
  H       2.27795        2.47437        1.05645
  P       1.92267        0.09929        1.51737
  H       3.65221        1.71628        1.89167
  H       2.94546       -1.98730        2.18563
  C       1.66286        0.33073        3.31624
  H       2.63202        0.35217        3.83843
  H       1.04637       -0.47957        3.72468
  H       1.14983        1.28914        3.48322
     70
1d
  Nb      1.76412       -0.29807       -0.37987
  N       2.71616       -0.63670        1.57252
  C       3.42829       -0.87646        2.45763
  C       4.33476       -1.18257        3.54464
  N       1.88846        0.05335       -2.54451
  C       2.22214        0.19620       -3.64926
  C       2.63734        0.36412       -5.02456
  N       2.72874        1.67119       -0.22423
  C       3.44759        2.58286       -0.23648
  C       4.36221        3.70524       -0.26185
  N       1.88095       -2.48356       -0.56979
  C       2.21149       -3.59065       -0.70126
  C       2.62279       -4.96649       -0.87437
  H       5.32623       -1.45033        3.14227
  H       3.94751       -2.03140        4.13229
  H       4.44340       -0.30752        4.20637
  H       2.16121       -5.38055       -1.78711
  H       2.30414       -5.57111       -0.00893
  H       3.71982       -5.02349       -0.97427
  H       4.45555        4.14238        0.74589
  H       3.99257        4.47824       -0.95590
  H       5.35765        3.37036       -0.59887
  H       2.18420       -0.42511       -5.64859
  H       3.73526        0.28922       -5.09992
  H       2.31255        1.34752       -5.40337
  H      -3.17834        2.79772       -2.95635
  H      -1.38218        2.85242       -2.94810
  C      -2.28157        2.81425       -2.31732
  H      -2.31465        3.72165       -1.69555
  H      -4.58048        1.88715       -0.87567
  H      -1.87846        0.04702       -3.23460
  P      -2.23357        1.34249       -1.23510
  C      -2.34425       -0.17623       -2.26483
  C      -3.85125        1.36002       -0.24192
  H      -5.86060        0.03457       -1.39500
  H      -3.36831       -0.53122       -2.45614
  H      -3.68850        1.98792        0.65487
  H      -0.14975       -1.32987       -3.17381
  C      -5.70060       -0.28078       -0.35442
  H      -6.45765        0.21128        0.28146
  N      -4.32284        0.03870        0.05584
  C      -0.77776       -1.99567       -2.57412
  N      -1.51462       -1.20798       -1.55642
  H      -1.48580       -2.51677       -3.24096
  Nb     -0.41698        0.22838        0.28758
  H      -5.85912       -1.36733       -0.30853
  C      -3.84919       -0.57825        1.26087
  H      -3.36064       -2.25850       -1.11751
  C      -2.33653       -2.15295       -0.72826
  H      -0.14356       -2.73791       -2.07997
  H      -3.69112        0.13315        2.09397
  P      -2.22678       -1.52651        0.99665
  H      -4.57496       -1.32782        1.61117
  H      -1.86403       -3.14468       -0.75018
  C      -2.26416       -2.93694        2.15801
  H      -3.15621       -3.55922        1.98524
  H      -2.30038       -2.55674        3.19011
  H      -1.35997       -3.55086        2.04060
  H      -0.02787       -0.77138        5.50171
  C      -0.17139        0.24490        5.09963
  H      -1.14532        0.62717        5.44785
  H       0.62405        0.90159        5.48707
  C      -0.14177        0.21683        3.64964
  N      -0.13478        0.19336        2.48994
  N      -0.12616        2.37375        0.78164
  C      -0.12827        3.49445        1.08085
  H       0.64054        5.11074        2.18912
  C      -0.15159        4.89603        1.45393
  H      -1.12681        5.14911        1.90206
  H       0.00151        5.52796        0.56381
     90
2
  Nb      0.49203       -0.00011        1.07669
  N       0.42574        1.92595        2.20959
  C       0.55324        2.79515        2.97030
  C       0.71909        3.87240        3.92563
  N       0.42916       -1.92480        2.21228
  C       0.56010       -2.79188        2.97486
  C       0.73006       -3.86659        3.93232
  N      -0.42840       -1.92237       -2.21420
  C      -0.56016       -2.78890       -2.97727
  C      -0.72910       -3.86352       -3.93501
  N      -0.42541        1.92935       -2.20660
  C      -0.55193        2.79971       -2.96616
  C      -0.71659        3.87822       -3.92026
  H       0.03858       -3.79144       -4.72346
  H      -1.72410       -3.79623       -4.40609
  H      -0.63327       -4.84103       -3.43423
  H       0.16418        3.93847       -4.58099
  H      -0.83124        4.84002       -3.39371
  H      -1.61113        3.69908       -4.54014
  H       1.64358        3.72053        4.50770
  H      -0.13567        3.89692        4.62190
  H       0.77856        4.84121        3.40280
  H       0.70829       -4.84249        3.41983
  H      -0.08057       -3.83991        4.67952
  H       1.69474       -3.75617        4.45552
  Nb     -0.49222        0.00133       -1.07709
  H       4.72576        2.06589        0.27233
  C       4.12735        1.20871        0.61681
  H       4.10327        1.25167        1.72789
  P       2.37918        1.50926        0.00875
  H       6.51278        0.88233       -0.50852
  H       6.61781       -0.00789        1.04205
  C       6.16242       -0.00626        0.03469
  N       4.68913       -0.00443        0.08034
  H       6.51051       -0.89459       -0.51039
  H       4.09997       -1.26237        1.72525
  C       4.12427       -1.21725        0.61426
  H       4.72053       -2.07523        0.26805
  H       3.55963       -1.12595       -2.11354
  P       2.37539       -1.51180        0.00536
  C       2.49893       -1.20663       -1.82085
  C       2.22343       -3.33732        0.10957
  H       2.92848       -3.80426       -0.59469
  H       2.48078       -3.67476        1.12254
  H       1.20003       -3.65389       -0.13008
  H       2.49054        3.66914        1.13073
  C       2.23235        3.33495        0.11687
  H       1.20996        3.65508       -0.12238
  H       2.93899        3.80150       -0.58606
  H       2.07667        2.08422       -2.31756
  C       2.50148        1.20763       -1.81818
  H       3.56193        1.12542       -2.11137
  H       1.13965        0.89455       -4.07581
  N       1.74824        0.00178       -2.24319
  C       1.67441        0.00358       -3.72948
  H       1.13962       -0.88654       -4.07787
  H       2.68395        0.00398       -4.17185
  H       2.07233       -2.08116       -2.32232
  H      -2.93058       -3.80454        0.58872
  H      -1.20182       -3.65438        0.12543
  H      -2.48166       -3.67317       -1.12808
  C      -2.22490       -3.33701       -0.11453
  H      -2.07219       -2.08441        2.31867
  H      -4.72139       -2.07397       -0.27092
  P      -2.37609       -1.51155       -0.00795
  C      -2.49906       -1.20911        1.81879
  C      -4.12502       -1.21565       -0.61606
  H      -4.10094       -1.25924       -1.72712
  H      -3.55968       -1.12904        2.11198
  H      -6.51111       -0.89399        0.50920
  N      -1.74836       -0.00134        2.24288
  C      -6.16282       -0.00498       -0.03465
  N      -4.68953       -0.00345       -0.08037
  H      -6.61825       -0.00509       -1.04200
  C      -4.12751        1.21029       -0.61522
  H      -6.51294        0.88294        0.50980
  C      -2.50154        1.20517        1.81957
  P      -2.37919        1.50945       -0.00690
  H      -4.10355        1.25478       -1.72624
  H      -3.56201        1.12254        2.11258
  H      -4.72563        2.06715       -0.26948
  H      -2.07670        2.08099        2.32026
  C      -2.23195        3.33526       -0.11236
  H      -2.49077        3.67089       -1.12559
  H      -2.93806        3.80096        0.59166
  H      -1.14002       -0.89214        4.07651
  C      -1.67478       -0.00159        3.72919
  H      -1.14014        0.88893        4.07683
  H      -2.68441       -0.00182        4.17135
  H      -1.20933        3.65480        0.12668
     84
2.1
  Nb      0.45487       -0.69336       -0.96875
  N       0.44478       -2.89487       -0.56136
  C       0.56977       -4.05039       -0.56922
  C       0.73229       -5.48958       -0.59503
  N      -0.51154        2.89120        0.54661
  C      -0.72512        4.02577        0.68019
  C      -0.98942        5.43931        0.85637
  N      -0.20733       -0.21754        2.75719
  C      -0.22222       -0.48378        3.88847
  C      -0.25237       -0.80360        5.30098
  H      -0.24613        5.87979        1.54245
  H      -1.99489        5.58442        1.28648
  H      -0.93254        5.96291       -0.11265
  H       0.67808       -0.46494        5.78684
  H      -0.35354       -1.89215        5.44494
  H      -1.10651       -0.29629        5.78114
  H       1.49578       -5.76689       -1.34175
  H      -0.22009       -5.97438       -0.86781
  H       1.04694       -5.85713        0.39566
  Nb     -0.43965        0.64386        0.72277
  H       4.96343       -1.49367        0.39007
  C       4.23049       -1.13301       -0.34761
  H       4.15971       -1.90298       -1.14566
  P       2.57256       -1.09691        0.53454
  H       6.53904        0.13184        0.07339
  H       6.55145       -0.22433       -1.68168
  C       6.07848        0.38560       -0.89142
  N       4.62078        0.17099       -0.81017
  H       6.28111        1.44601       -1.09567
  H       3.75476       -0.05489       -2.76753
  C       3.87509        0.66672       -1.93200
  H       4.37544        1.55859       -2.33835
  H       3.50275        2.34082        0.28455
  P       2.14357        1.22925       -1.44067
  C       2.42245        2.16289        0.14970
  C       1.74980        2.50354       -2.70192
  H       2.53628        3.27411       -2.70530
  H       1.71357        2.03762       -3.69836
  H       0.78378        2.97852       -2.49040
  H       2.88018       -3.46168        1.01302
  C       2.64936       -2.57294        1.61659
  H       1.68976       -2.71878        2.13016
  H       3.45237       -2.44642        2.35860
  H       2.40524       -0.04603        2.69731
  C       2.72104        0.32168        1.71412
  H       3.77535        0.63768        1.79213
  H       1.44551        1.93937        3.37655
  N       1.85751        1.47090        1.34403
  C       1.88682        2.41899        2.49459
  H       1.31532        3.32072        2.25790
  H       2.92194        2.71282        2.73236
  H       1.92689        3.13330        0.03905
  H      -2.90747        2.71655       -2.91019
  H      -1.23183        3.01857       -2.35315
  H      -2.62311        3.61988       -1.40281
  C      -2.25441        2.79450       -2.02733
  H      -1.67437        0.36077       -3.24124
  H      -4.68913        1.69677       -1.33609
  P      -2.33286        1.22829       -1.07391
  C      -2.26120       -0.06237       -2.40989
  C      -4.12060        1.25673       -0.50239
  H      -4.16061        1.98127        0.34117
  H      -3.27162       -0.27535       -2.80206
  H      -6.42863        0.21512       -1.31275
  N      -1.60084       -1.31658       -1.95829
  C      -6.12055       -0.13096       -0.31636
  N      -4.65236       -0.04172       -0.19818
  H      -6.64336        0.47320        0.44700
  C      -4.11773       -0.64112        0.99673
  H      -6.43181       -1.17939       -0.21085
  C      -2.44404       -2.01105       -0.94275
  P      -2.34544       -1.20327        0.74046
  H      -4.13779        0.01629        1.89211
  H      -3.49480       -2.03469       -1.27510
  H      -4.69773       -1.54406        1.24133
  H      -2.08819       -3.04124       -0.84027
  C      -2.17591       -2.60096        1.91343
  H      -2.42502       -2.25141        2.92553
  H      -2.87829       -3.40487        1.64584
  H      -0.79493       -1.69206       -3.89778
  C      -1.42111       -2.20010       -3.15065
  H      -0.93389       -3.13435       -2.85144
  H      -2.39404       -2.43600       -3.61090
  H      -1.14823       -2.98616        1.90693
     86
2.2
  H       0.24469       -0.31959       -2.42571
  H      -0.18123       -0.77859       -1.74925
  Nb      0.49698        0.76239       -0.93337
  N       0.75578        2.97524       -0.49211
  C       1.04403        4.10072       -0.54601
  C       1.39791        5.50304       -0.62347
  N      -0.57942       -2.94020       -0.30343
  C      -0.68474       -4.06034       -0.59082
  C      -0.82059       -5.45839       -0.94210
  H       0.11846       -5.99685       -0.72828
  H      -1.05273       -5.55982       -2.01594
  H      -1.63384       -5.91636       -0.35316
  H       0.68724        6.10623       -0.03252
  H       1.36744        5.83931       -1.67474
  H       2.41644        5.65862       -0.22839
  Nb     -0.53962       -0.87748        0.50535
  H       4.84820       -1.02218       -1.94348
  C       4.23696       -0.22167       -1.49903
  H       4.26580        0.63656       -2.20599
  P       2.48552       -0.86697       -1.48574
  H       6.59145       -0.89013       -0.46233
  H       6.66719        0.88544       -0.68410
  C       6.20712        0.07129       -0.09445
  N       4.73488        0.07562       -0.17868
  H       6.51332        0.17878        0.95546
  H       4.11948        2.13974       -0.20152
  C       4.12637        1.22811        0.43580
  H       4.67492        1.48043        1.35611
  H       3.54088       -1.05478        1.87978
  P       2.36237        0.87783        0.94734
  C       2.47902       -0.77035        1.78909
  C       2.11176        2.04636        2.33902
  H       2.88340        1.87203        3.10444
  H       2.20456        3.08256        1.98679
  H       1.12122        1.90678        2.78908
  H       2.53174       -1.11590       -3.90164
  C       2.39361       -1.80687       -3.05574
  H       1.41439       -2.29554       -3.15609
  H       3.18700       -2.56932       -3.09338
  H       1.98566       -3.06535       -0.62316
  C       2.46942       -2.19107       -0.17264
  H       3.50637       -2.46980        0.08287
  H       1.16482       -3.84766        1.41884
  N       1.72152       -1.82153        1.06265
  C       1.66672       -3.02611        1.93985
  H       1.11102       -2.79323        2.85539
  H       2.68147       -3.35522        2.21579
  H       2.06336       -0.66489        2.79697
  H      -2.34343        3.29642        2.17044
  H      -0.62367        2.81602        2.02217
  H      -1.69466        1.98595        3.19163
  C      -1.64157        2.44903        2.19705
  H      -1.74641        3.20647       -0.47227
  H      -4.31755        1.81177        1.74367
  P      -2.11171        1.22681        0.91365
  C      -2.24379        2.24672       -0.64761
  C      -3.91459        0.87825        1.32298
  H      -3.92991        0.11593        2.13106
  H      -3.31020        2.43677       -0.85709
  H      -6.21975        1.91198        0.47507
  N      -1.60136        1.56550       -1.80619
  C      -6.09867        0.85025        0.21838
  N      -4.66099        0.52412        0.14864
  H      -6.63457        0.23958        0.96774
  C      -4.38157       -0.79118       -0.35837
  H      -6.55818        0.68521       -0.76606
  C      -2.50064        0.48089       -2.28897
  P      -2.67097       -0.95147       -1.10981
  H      -4.47023       -1.60403        0.39561
  H      -3.49936        0.89083       -2.51822
  H      -5.08649       -1.02472       -1.17076
  H      -2.08618        0.07634       -3.22253
  C      -2.90481       -2.36847       -2.24951
  H      -3.23982       -3.24699       -1.67958
  H      -3.68481       -2.11726       -2.98476
  H      -0.78531        3.36336       -2.60814
  C      -1.42450        2.53460       -2.92987
  H      -0.95085        2.02459       -3.77973
  H      -2.39564        2.94083       -3.25586
  H      -1.97422       -2.60536       -2.78208
  N      -0.47880       -0.63160        2.71807
  C      -0.62088       -0.69383        3.87157
  C      -0.80001       -0.77933        5.30525
  H      -1.47593        0.02016        5.65278
  H       0.17211       -0.67269        5.81673
  H      -1.23793       -1.75681        5.57019
     86
2.3
  Nb     -0.73400        1.03143       -0.59279
  N      -1.33998        3.05783        0.21552
  C      -1.75138        4.10743        0.49964
  C      -2.26536        5.41799        0.83884
  N       1.27039       -2.83981       -0.51016
  C       1.66923       -3.88935       -0.80775
  C       2.16433       -5.19956       -1.17618
  N       0.91360       -1.46281        2.44182
  C       1.13116       -1.87054        3.50786
  C       1.40976       -2.38294        4.83361
  H       1.61688       -5.98012       -0.62148
  H       3.23730       -5.27876       -0.93297
  H       2.02706       -5.36702       -2.25768
  H       0.84086       -3.31159        5.00791
  H       1.12467       -1.63992        5.59703
  H       2.48629       -2.60321        4.93103
  H      -3.35009        5.45761        0.64214
  H      -1.76768        6.18794        0.22527
  H      -2.08374        5.63550        1.90459
  Nb      0.64566       -0.83435        0.30290
  H      -5.02249        0.30765        1.50087
  C      -4.43942        0.45196        0.57803
  H      -4.65979        1.47944        0.21301
  P      -2.64560        0.39531        1.07448
  H      -6.52822       -1.19237        0.63817
  H      -6.82555       -0.10973       -0.75810
  C      -6.19904       -0.93788       -0.37885
  N      -4.76460       -0.59642       -0.35902
  H      -6.35646       -1.81897       -1.01631
  H      -4.41962        0.59599       -2.12360
  C      -4.20784       -0.39995       -1.67576
  H      -4.62521       -1.15312       -2.36220
  H      -3.07428       -2.76629       -0.69296
  P      -2.36270       -0.65013       -1.69771
  C      -2.10216       -2.25277       -0.78165
  C      -2.00837       -1.02257       -3.45646
  H      -2.59278       -1.89755       -3.78155
  H      -2.30127       -0.16328       -4.07963
  H      -0.93824       -1.22126       -3.60101
  H      -3.01968        2.28255        2.55857
  C      -2.62675        1.26418        2.68535
  H      -1.60234        1.32191        3.07687
  H      -3.26877        0.73518        3.40624
  H      -1.89039       -1.41200        2.50114
  C      -2.36007       -1.38779        1.50879
  H      -3.33627       -1.89613        1.57700
  H      -0.79351       -3.45077        2.07738
  N      -1.46803       -2.11440        0.56208
  C      -1.30931       -3.49415        1.11207
  H      -0.72900       -4.10879        0.41864
  H      -2.29347       -3.96702        1.25670
  H      -1.44165       -2.87013       -1.40544
  H       3.01938       -0.77709       -3.79505
  H       1.46486       -1.53409       -3.30923
  H       3.02384       -2.24311       -2.78499
  C       2.48917       -1.30514       -2.98754
  H       1.59065        1.30698       -3.08258
  H       4.84429       -0.14235       -1.96624
  P       2.48307       -0.26691       -1.47827
  C       2.10826        1.43311       -2.12071
  C       4.28747       -0.20414       -1.01820
  H       4.54700       -1.18132       -0.55319
  H       3.05215        1.96974       -2.31450
  H       6.32443        1.48100       -1.30458
  N       1.23337        2.24217       -1.22506
  C       6.02583        1.32690       -0.25836
  N       4.60270        0.94470       -0.20565
  H       6.68605        0.56194        0.19018
  C       4.07319        0.88088        1.13423
  H       6.16997        2.27525        0.27765
  C       1.94219        2.57190        0.04610
  P       2.21941        1.08890        1.15299
  H       4.31249       -0.05792        1.68081
  H       2.91435        3.04519       -0.17195
  H       4.48452        1.71283        1.72661
  H       1.32662        3.28713        0.60705
  C       1.88473        1.71952        2.83886
  H       2.24174        0.98896        3.57829
  H       2.42203        2.66630        3.00181
  H       0.34216        3.28912       -2.85854
  C       0.92880        3.51279       -1.95562
  H       0.35971        4.18870       -1.31110
  H       1.85877        4.01708       -2.26235
  H       0.80743        1.87722        2.98111
  H       0.05529       -0.42109       -1.46120
  H      -0.24962        0.64766        1.11048
     90
2b
  Nb      1.07927       -0.25928        0.01009
  N       2.21798        0.16730       -1.91343
  C       3.01321        0.31907       -2.74944
  C       4.01337        0.50413       -3.79266
  N       2.07427        0.36172        1.96124
  C       2.80552        0.60169        2.83419
  C       3.72863        0.89914        3.92100
  N      -1.83593       -0.11652        2.13690
  C      -2.37726       -0.02232        3.16525
  C      -3.06111        0.08728        4.44423
  N      -2.09531       -0.43309       -2.11134
  C      -2.77679       -0.49197       -3.05524
  C      -3.62723       -0.56939       -4.23214
  H      -4.00135       -0.47717        4.41727
  H      -3.29219        1.13886        4.65409
  H      -2.43202       -0.30252        5.25293
  H      -4.27257       -1.45451       -4.16997
  H      -3.01943       -0.63372       -5.14214
  H      -4.26601        0.32032       -4.29228
  H       4.83108       -0.21425       -3.66030
  H       4.42808        1.51779       -3.74843
  H       3.56392        0.35110       -4.78063
  H       3.27268        0.65082        4.88630
  H       3.98821        1.96394        3.91971
  H       4.64812        0.31359        3.80199
  Nb     -1.31210       -0.22929       -0.02184
  H       1.80265       -4.65287       -1.96378
  C       1.93874       -3.95727       -1.12889
  H       2.97220       -3.56859       -1.18971
  P       0.76320       -2.51521       -1.45481
  H       1.78341       -6.57920       -0.73945
  H       3.26956       -6.06185        0.10101
  C       2.17093       -6.03433        0.12472
  N       1.63684       -4.64951        0.10717
  H       1.82272       -6.54126        1.02789
  H       3.04055       -3.52456        1.28840
  C       2.00221       -3.90555        1.29552
  H       1.90350       -4.56347        2.16543
  H      -0.82008       -4.24385        1.36908
  P       0.86041       -2.43891        1.62175
  C      -0.85679       -3.14711        1.39289
  C       1.00602       -2.27258        3.45448
  H       0.60899       -3.16881        3.94307
  H       2.06103       -2.18006        3.72858
  H       0.46813       -1.39250        3.81338
  H       1.82427       -2.34548       -3.64153
  C       0.78895       -2.42938       -3.29875
  H       0.22796       -1.56489       -3.65949
  H       0.36708       -3.34672       -3.72312
  H      -1.57462       -3.04815       -1.90831
  C      -0.91753       -3.24441       -1.05931
  H      -0.83639       -4.33103       -0.92937
  H      -3.50371       -2.69451       -0.66776
  N      -1.53928       -2.62819        0.16224
  C      -2.97916       -3.05453        0.21957
  H      -3.45079       -2.63040        1.10875
  H      -3.06283       -4.14694        0.26191
  H      -1.45189       -2.84490        2.25720
  H      -1.17541        2.51125       -3.92080
  H       0.58202        2.64413       -3.93006
  C      -0.28098        2.41182       -3.29870
  H      -2.40861        3.46493       -2.26149
  N      -0.34612        3.35830       -2.20322
  C      -1.58695        3.54239       -1.54424
  H      -4.33766        1.83836       -0.88280
  H      -1.62590        4.52769       -1.06822
  C      -3.91281        2.44654       -0.07888
  H       1.69497        3.66466       -2.20967
  H      -4.23492        3.48417       -0.22235
  C       0.86298        3.64513       -1.50012
  P      -2.06105        2.34711       -0.07788
  H       0.79598        4.62965       -1.02514
  H      -4.32303        2.09118        0.87181
  P       1.43898        2.49297       -0.05955
  H       3.78011        2.45446       -0.83986
  C      -1.62594        3.43295        1.42004
  H      -2.46620        4.12858        1.51062
  C       3.23752        2.95068       -0.03109
  N      -0.41122        4.19574        1.25696
  H      -1.32384        6.06012        1.65068
  H       3.35559        4.03369       -0.14809
  C      -0.44044        5.49817        1.96341
  C       0.81021        3.44544        1.47097
  H       0.44069        6.08095        1.68468
  H      -1.62731        2.79464        2.32158
  H       3.70067        2.65887        0.91518
  H       1.60937        4.15378        1.70800
  H       0.73615        2.73813        2.31358
  H      -0.46143        5.38668        3.05728
  H      -0.19533        1.36395       -2.95974
     90
2c
  N      -2.28684       -0.50014       -1.68580
  C      -4.33831       -0.54120       -3.31265
  N      -2.29111       -0.50504        1.67500
  H      -4.00925       -0.81819       -4.32175
  H       1.00340       -1.73902       -3.67828
  H      -0.72536       -2.14069       -3.72668
  C       0.25560       -2.48248       -3.38824
  H       0.48897       -3.43069       -3.88465
  H       2.24792       -3.99696       -2.06879
  H      -1.54114       -4.24089       -2.07878
  P       0.26141       -2.71171       -1.55558
  C      -0.84621       -4.18811       -1.23483
  C       2.00025       -3.34729       -1.22271
  H      -0.24110       -5.10871       -1.24084
  H       3.12914       -5.72907       -0.89114
  H       2.69546       -2.48650       -1.25190
  H      -3.40984       -4.74334        0.87785
  C       3.20253       -5.09056       -0.00746
  C      -2.79837       -4.93169       -0.00831
  Nb     -0.84226       -0.83582       -0.00395
  N       2.08067       -4.12725       -0.00685
  N      -1.63494       -4.01184       -0.00727
  H       4.18614       -4.59646       -0.00656
  H      -2.50009       -5.99022       -0.00928
  H       3.12850       -5.73092        0.87484
  H      -3.40967       -4.74158       -0.89421
  C      -0.84629       -4.19078        1.21997
  C       1.99983       -3.34950        1.21038
  H      -0.24098       -5.11125        1.22380
  H       2.69502       -2.48877        1.24132
  P       0.26086       -2.71474        1.54399
  H       2.24724       -4.00078        2.05530
  H      -1.54126       -4.24569        2.06374
  C       0.25455       -2.48847        3.37695
  H       0.49121       -3.43665        3.87186
  H      -0.72754       -2.15058        3.71608
  H       0.99980       -1.74285        3.66796
  H      -2.68244        2.53187        1.24701
  H      -2.68290        2.53443       -1.24438
  H      -0.98735        1.77274        3.67518
  H      -4.15900        4.66119        0.00349
  C      -1.98332        3.38951        1.21873
  H      -0.99042        1.78142       -3.67484
  C      -1.98374        3.39202       -1.21463
  C      -3.17044        5.14498        0.00406
  H      -2.22873        4.04023        2.06464
  C      -0.24136        2.51800        3.38515
  P      -0.24698        2.74687        1.55268
  N      -2.05854        4.16998        0.00286
  Nb      0.85138        0.87002       -0.00101
  H      -2.22943        4.04444       -2.05915
  C      -0.24289        2.52469       -3.38362
  P      -0.24751        2.74985       -1.55068
  H       0.74046        2.17932        3.72435
  H      -3.08978        5.78258        0.88785
  H      -3.08974        5.78481       -0.87812
  H      -0.47763        3.46574        3.88106
  H       0.73812        2.18468       -3.72387
  H      -0.47743        3.47390       -3.87751
  C       0.86712        4.21830        1.22953
  C       0.86719        4.22033       -1.22556
  N       1.65453        4.03427        0.00184
  H       0.26665        5.14193        1.23313
  H       1.56237        4.27009        2.07326
  H       0.26726        5.14433       -1.22804
  H       1.56244        4.27277       -2.06927
  C       2.82927        4.93967        0.00253
  H       3.43811        4.74199        0.88859
  H       3.43839        4.74282       -0.88351
  H       2.54476        6.00197        0.00300
  H      -4.02199       -0.83145        4.30437
  H      -4.82233        0.43299        3.33661
  C      -4.34824       -0.55468        3.29430
  H      -5.08379       -1.28922        2.94556
  C      -3.20649       -0.52575        2.39480
  C      -3.19981       -0.51710       -2.40885
  H      -5.07773       -1.27347       -2.96737
  H      -4.80881        0.44815       -3.35584
  H       4.02599        0.66938        4.32822
  C       4.36357        0.57019        3.28940
  H       5.01687        1.41607        3.04491
  H       4.93563       -0.36037        3.19318
  C       3.21901        0.54718        2.39313
  N       2.30177        0.53052        1.67549
  N       2.29923        0.53433       -1.68038
  C       3.21480        0.55189       -2.40013
  H       4.97712       -0.31548       -3.14058
  C       4.35739        0.57528       -3.29891
  H       4.01717        0.58642       -4.34146
  H       4.96571        1.46820       -3.11268
     90
2d
  Nb      1.15918       -0.92466       -0.33429
  Nb     -0.47376        0.90585       -0.13455
  N      -0.18623       -2.09860        1.07923
  C      -0.74313       -2.80919        1.81087
  C      -1.43544       -3.69821        2.73681
  N       1.64245       -0.60400       -2.50981
  C       1.96027       -0.69767       -3.62585
  C       2.36595       -0.81586       -5.01942
  N       2.46101       -1.77485        1.37739
  C       3.12064       -2.46486        2.04248
  C       3.96210       -3.31861        2.86936
  N       0.62172       -2.85909       -1.41507
  C       0.60108       -3.92161       -1.88481
  C       0.58100       -5.25296       -2.47568
  H      -0.72938       -4.41541        3.17045
  H      -2.21505       -4.25938        2.20956
  H      -1.89787       -3.12635        3.54877
  H      -0.00717       -5.24861       -3.40042
  H       0.13607       -5.97040       -1.77724
  H       1.60281       -5.57480       -2.70794
  H       3.62943       -3.28349        3.91307
  H       5.00370       -2.97976        2.82031
  H       3.91319       -4.35406        2.51321
  H       1.49118       -1.01584       -5.64947
  H       3.08169       -1.63823       -5.13588
  H       2.83895        0.11216       -5.36091
  H      -1.62358        3.34418        2.87476
  H      -2.34517        2.05594        3.86709
  C      -2.45212        2.63500        2.94392
  H      -3.38846        3.20068        3.00640
  H      -2.68705        3.61368        0.29992
  P      -2.49258        1.49457        1.48820
  H      -4.66020        1.10091        2.49248
  C      -3.04736        2.60685        0.07140
  H      -3.50706        3.72443       -2.32248
  H      -4.14396        2.64200        0.02081
  C      -4.00346        0.45047        1.90605
  C      -2.48197        3.36510       -2.16430
  H      -6.62233        0.55987        1.49087
  H      -3.67801       -0.36744        2.57702
  H      -1.89207        4.18160       -1.74058
  N      -2.45690        2.19439       -1.24242
  C      -6.14771       -0.31988        1.04986
  N      -4.73279       -0.00590        0.73882
  H      -2.06285        3.07764       -3.13074
  H      -6.25034       -1.16550        1.74566
  C      -3.22208        1.06686       -1.85614
  H      -4.30849        1.21119       -1.78787
  H      -6.67548       -0.55684        0.12292
  C      -4.07547       -1.07889        0.02031
  H      -3.72482       -1.90393        0.67004
  P      -2.62611       -0.47760       -1.01128
  H      -2.95088        1.00652       -2.91426
  H      -4.78627       -1.51260       -0.69086
  C      -2.55449       -1.75161       -2.34540
  H      -3.50875       -1.78914       -2.88207
  H      -1.75470       -1.51954       -3.05321
  H      -2.36128       -2.73504       -1.90834
  H       0.95721        0.05550        3.53024
  H       0.17143        1.59415        3.94350
  C       1.05502        1.14273        3.48473
  H       1.93595        1.45293        4.05686
  H       3.29217        0.44845        1.93296
  P       1.20418        1.70221        1.73198
  H       1.90568        3.75021        2.85941
  C       2.95265        1.22555        1.24915
  H       4.52633       -0.73749        0.36551
  H       3.61587        2.09377        1.34566
  C       1.37432        3.58736        1.91597
  C       4.37213        0.06259       -0.35545
  H       3.39179        5.30665        2.11888
  H       0.36115        4.01089        2.02995
  H       4.43315       -0.34904       -1.36503
  N       3.01704        0.68340       -0.15100
  C       2.77942        5.46422        1.22792
  N       2.14025        4.18086        0.84241
  H       5.16196        0.81200       -0.22902
  H       2.04401        6.25400        1.43593
  C       2.93431        1.81889       -1.13009
  H       3.67341        2.58616       -0.86674
  H       3.43582        5.79530        0.41973
  C       1.43611        4.26264       -0.41919
  H       0.43144        4.71841       -0.34707
  P       1.23607        2.58147       -1.25977
  H       3.19068        1.42908       -2.11545
  H       2.02140        4.87795       -1.11056
  C       1.09863        3.06024       -3.03983
  H       2.03969        3.50684       -3.37901
  H       0.86260        2.19469       -3.66340
  H       0.30660        3.80375       -3.16199
     90
2e
  Nb     -0.81401        0.27666       -0.03028
  Nb      1.41857       -0.48586        0.21609
  N      -1.79941       -0.11378        1.95789
  C      -2.46842       -0.24423        2.90091
  C      -3.31768       -0.39239        4.07550
  N       2.52995       -0.09766       -1.67782
  C       3.33683        0.03691       -2.50632
  C       4.34714        0.19990       -3.53958
  N       1.29262       -1.46659        2.21536
  C       1.49625       -1.96835        3.24540
  C       1.76609       -2.59697        4.52986
  N       2.82497        0.85350        1.39041
  C       3.76056        1.30606        1.91288
  C       4.93216        1.86716        2.56872
  H       4.07958       -0.38848       -4.42557
  H       5.32185       -0.14029       -3.16992
  H       4.42421        1.25437       -3.82917
  H      -2.79157       -0.04881        4.97343
  H      -3.59982       -1.44266        4.21176
  H      -4.23121        0.20189        3.95314
  H       0.98157       -3.32256        4.77294
  H       1.79956       -1.83615        5.31870
  H       2.73191       -3.11525        4.49942
  H       5.67649        1.08110        2.74233
  H       4.65185        2.31117        3.53096
  H       5.38112        2.64351        1.93846
  H      -1.01912       -6.52581       -0.20875
  H      -2.68911       -5.96687       -0.09218
  H      -0.02054       -4.38678       -2.35732
  H      -2.31717       -3.79066       -2.12235
  C      -1.68544       -5.84053        0.32049
  C       0.28575       -3.33758       -2.39750
  C      -2.11120       -2.72543       -2.24812
  H       1.10408       -3.24538       -3.11766
  H      -2.87521       -2.28736       -2.89771
  N      -0.81600       -2.52874       -2.82985
  H       2.60589       -4.80237       -1.33218
  H      -4.71547       -2.44223       -0.77830
  H      -1.70259       -6.11375        1.38494
  N      -1.23396       -4.44465        0.09568
  H       0.40646       -1.09936       -3.73465
  C      -0.54061       -1.19036       -3.19901
  H      -1.34931       -0.77408       -3.80265
  H       0.69507       -5.17102        0.30318
  H      -3.15890       -3.88648        0.64051
  C       2.72140       -3.81514       -0.87076
  C       0.15339       -4.23070        0.44239
  C      -4.14258       -1.56902       -0.44693
  C      -2.15667       -3.44934        0.60468
  P       1.07336       -2.99142       -0.67183
  P      -2.32642       -1.92249       -0.51564
  H       3.38315       -3.21185       -1.49869
  H      -4.39715       -0.72248       -1.09185
  H       3.20115       -3.94573        0.10456
  H      -4.44915       -1.32592        0.57498
  H      -0.44426       -0.51714       -2.26759
  H       0.29983       -3.91974        1.48959
  H      -1.91053       -3.10842        1.62416
  H      -0.44476        1.53075       -4.02804
  H      -2.20155        1.61919       -3.73395
  C      -1.24201        2.11774       -3.56574
  H      -1.27908        3.09757       -4.05442
  P      -0.93669        2.35536       -1.75681
  H       1.08337        3.32264       -2.65149
  H      -2.64370        4.02807       -2.17164
  C       0.52836        3.51569       -1.72823
  C      -2.41289        3.43622       -1.27997
  H       0.14187        4.54690       -1.77790
  H      -3.28305        2.77639       -1.09748
  H       3.14981        3.66167       -1.77105
  H      -2.92616        6.03807       -1.15743
  C       2.70784        4.00560       -0.83184
  N       1.43266        3.29605       -0.59815
  H       3.40302        3.77915       -0.01843
  N      -2.12096        4.34376       -0.18913
  C      -3.00423        5.53343       -0.19155
  H      -4.05812        5.27755       -0.00714
  H       2.58712        5.09797       -0.88773
  C       0.86082        3.70933        0.68408
  C      -2.05794        3.70763        1.11166
  H       0.49198        4.74821        0.67635
  H      -2.66887        6.23037        0.58026
  H      -2.95249        3.10266        1.35751
  P      -0.53452        2.61798        1.29563
  H       1.64634        3.63983        1.44167
  H      -1.97544        4.48661        1.87727
  C      -0.28937        2.61928        3.12642
  H      -0.06056        3.63453        3.46771
  H       0.52987        1.95233        3.40638
  H      -1.20169        2.29285        3.63207
     90
2f
  Nb     -1.17812       -0.06799        0.18125
  Nb      1.16216        0.08382       -0.08938
  N      -1.56029       -0.22388        2.37134
  C      -2.01995       -0.32115        3.43706
  C      -2.60039       -0.43444        4.76586
  N      -2.06543        0.00620       -1.86201
  C      -2.76440        0.02781       -2.79338
  C      -3.64196        0.04614       -3.95313
  N       1.54524        0.24071       -2.27936
  C       2.00553        0.33784       -3.34479
  C       2.58670        0.45119       -4.67325
  N       2.04935        0.00936        1.95379
  C       2.74798       -0.01371        2.88537
  C       3.62500       -0.03362        4.04549
  H       2.12352       -0.27307       -5.35342
  H       3.66562        0.25979       -4.62948
  H       2.42387        1.46008       -5.07074
  H      -3.67634       -0.22630        4.72529
  H      -2.12492        0.27793        5.45010
  H      -2.45250       -1.44845        5.15611
  H       3.27156        0.67862        4.80023
  H       4.64577        0.23754        3.75037
  H       3.64057       -1.03625        4.48910
  H      -3.70385        1.06148       -4.36256
  H      -4.64919       -0.28062       -3.66791
  H      -3.25704       -0.62328       -4.73123
  H       1.47001       -6.15381        1.66914
  H      -0.28030       -6.26624        1.87268
  H       1.41050       -4.77242       -0.94848
  H      -0.99176       -4.92838       -0.66906
  C       0.59503       -5.64717        2.08322
  C       1.30489       -3.82045       -1.47917
  C      -1.13299       -3.97908       -1.19621
  H       2.03994       -3.78751       -2.28817
  H      -2.03117       -4.05298       -1.81563
  N      -0.00591       -3.69959       -2.01679
  H       4.05909       -3.70652       -0.43112
  H      -3.56720       -4.20247        0.45441
  H       0.71635       -5.56436        3.17234
  N       0.43408       -4.32763        1.42808
  H       0.62158       -2.98928       -3.87551
  C      -0.19531       -2.83471       -3.16424
  H      -1.12680       -3.10227       -3.67204
  H       2.49351       -4.14529        1.54536
  H      -1.54983       -4.40487        2.01688
  C       3.75580       -2.65612       -0.35669
  C       1.61534       -3.50030        1.44731
  C      -3.39206       -3.12086        0.47205
  C      -0.80634       -3.65590        1.72863
  P       1.91577       -2.52177       -0.17088
  P      -1.59085       -2.74933        0.23544
  H       4.09220       -2.13425       -1.25773
  H      -3.98881       -2.66080       -0.32145
  H       4.26611       -2.21271        0.50415
  H      -3.74544       -2.73246        1.43246
  H      -0.23253       -1.76654       -2.89059
  H       1.63237       -2.78608        2.28612
  H      -0.72088       -2.93599        2.55832
  H      -0.73021        5.57667       -3.08537
  C      -0.61009        5.66152       -1.99627
  H      -1.48589        6.16825       -1.58400
  H       0.26455        6.28160       -1.78588
  H      -1.64511        2.80012       -2.19670
  H      -2.50807        4.15946       -1.45818
  H       0.70799        2.95226       -2.46784
  N      -0.44887        4.34326       -1.33858
  H       1.53575        4.42121       -1.92490
  C      -1.62964        3.51506       -1.35847
  C       0.79218        3.67190       -1.63777
  H      -4.28137        2.22668       -0.41540
  H       3.73153        2.74444       -1.33758
  C      -3.77161        2.67235        0.44462
  H      -4.07525        3.72283        0.51640
  P      -1.93146        2.53791        0.26019
  P       1.57508        2.76535       -0.14393
  C       3.37662        3.13600       -0.37904
  H       3.55186        4.21764       -0.36463
  H      -1.42645        4.78899        1.03659
  H      -4.10830        2.15250        1.34674
  H       0.97580        4.94484        0.75928
  C      -1.32149        3.83742        1.56812
  C       1.11662        3.99572        1.28686
  H       3.97201        2.67847        0.41694
  N      -0.01111        3.71673        2.10681
  H      -2.05717        3.80516        2.37658
  H       2.01435        4.06975        1.90692
  H       0.21723        1.78386        2.98046
  C       0.17759        2.85189        3.25440
  H      -0.64097        3.00467        3.96409
  H       1.10762        3.12096        3.76408
     90
2g
  Nb     -0.56149       -0.36830       -0.26312
  Nb      1.41393        0.72704        0.46806
  N      -0.64078       -0.01949       -2.48420
  C      -0.86303        0.05249       -3.62466
  C      -1.15276        0.12972       -5.04992
  N       1.67327        0.32393        2.64562
  C       2.05433        0.24165        3.74296
  C       2.53023        0.13796        5.11282
  N       2.16940        1.54607       -1.46241
  C       2.79161        2.00971       -2.32980
  C       3.58160        2.59089       -3.40472
  N       3.25063       -0.59239        0.24105
  C       4.32908       -1.02878        0.24816
  C       5.67681       -1.57606        0.25807
  H       1.71500        0.34678        5.81550
  H       3.34301        0.85333        5.28587
  H       2.90479       -0.87556        5.30084
  H      -0.31448       -0.27126       -5.63118
  H      -1.32267        1.17078       -5.34747
  H      -2.05242       -0.45297       -5.28111
  H       2.99226        3.33974       -3.94643
  H       3.89213        1.80953       -4.10825
  H       4.47607        3.07480       -2.99475
  H       6.38893       -0.81380        0.59557
  H       5.95826       -1.90502       -0.74905
  H       5.72806       -2.43492        0.93762
  H      -1.66076        6.33086       -0.72120
  H      -3.12888        5.53520       -1.29421
  H      -1.30021        4.58298        1.75415
  H      -3.28936        3.52238        0.93682
  C      -2.03801        5.52316       -1.35286
  C      -0.90394        3.63051        2.11854
  C      -2.95468        2.54384        1.29217
  H      -0.38892        3.79964        3.06835
  H      -3.81294        2.00085        1.69841
  N      -1.96209        2.69728        2.30544
  H       1.51000        5.27751        1.70475
  H      -4.83047        1.73574       -0.85975
  H      -1.73680        5.71559       -2.39209
  N      -1.53302        4.22417       -0.84458
  H      -1.05263        1.77787        3.94350
  C      -1.67329        1.52386        3.08035
  H      -2.60019        1.07123        3.44137
  H       0.27265        5.19112       -0.53071
  H      -3.12493        3.35132       -1.84466
  C       1.88069        4.27554        1.46042
  C      -0.09789        4.17427       -0.69086
  C      -4.06204        0.95749       -0.92666
  C      -2.12983        3.07328       -1.48494
  P       0.49786        3.20641        0.84292
  P      -2.43346        1.59776       -0.31491
  H       2.33248        3.84411        2.35872
  H      -4.38896        0.09770       -0.33398
  H       2.66035        4.37474        0.69847
  H      -3.98324        0.64353       -1.97234
  H      -1.12421        0.76147        2.46869
  H       0.42471        3.76744       -1.57158
  H      -1.55490        2.71124       -2.35327
  H      -1.76491       -1.46120        3.64476
  H      -3.24100       -1.33191        2.65895
  C      -2.37938       -1.96288        2.89242
  H      -2.74489       -2.90636        3.31166
  P      -1.37925       -2.31377        1.37298
  H       0.64377       -2.80517        2.61120
  H      -3.21184       -3.87429        1.02121
  C      -0.03991       -3.50883        2.11256
  C      -2.57093       -3.33307        0.31719
  H      -0.54761       -4.09311        2.88441
  H      -3.22569       -2.61666       -0.22056
  H      -0.63418       -5.97238        0.60891
  H      -3.40072       -5.78259       -0.17429
  C       0.28030       -5.79945        1.18546
  N       0.65519       -4.37926        1.23204
  H       0.14167       -6.16149        2.20732
  N      -1.93733       -4.30729       -0.55282
  C      -2.91414       -5.31093       -1.03162
  H      -3.68765       -4.86947       -1.67985
  H       1.10389       -6.36798        0.74683
  C       1.34512       -3.80173        0.13685
  C      -1.16108       -3.76955       -1.65772
  H       1.83150       -4.58605       -0.44951
  H      -2.38897       -6.08873       -1.59170
  H      -1.76009       -3.14432       -2.35206
  P       0.32438       -2.74065       -1.13888
  H       2.11261       -3.09209        0.47277
  H      -0.77618       -4.61103       -2.24447
  C       1.41709       -2.80890       -2.62711
  H       1.64194       -3.84845       -2.88725
  H       2.35318       -2.27977       -2.42791
  H       0.92671       -2.33678       -3.48222
     90
2h
  H      -0.58338        3.97574       -3.59389
  H      -0.40560        2.20699       -3.72339
  C      -0.03637        3.10382       -3.21880
  H       1.02214        3.23359       -3.46032
  H       0.42274        5.30210       -1.49155
  H      -2.57499        3.10008       -2.05758
  P      -0.25621        2.97135       -1.38836
  C      -2.06847        3.35407       -1.12082
  C       0.61066        4.52001       -0.74795
  H      -0.09068        6.97847       -0.04734
  H      -2.14168        4.44734       -0.98922
  H       1.70254        4.33650       -0.74019
  H      -4.55245        2.49999       -1.06251
  C       0.31247        6.39215        0.78183
  H       1.38112        6.62755        0.89722
  N       0.07217        4.95371        0.52582
  C      -4.16464        2.81345       -0.08909
  N      -2.70292        2.59646       -0.04631
  H      -4.44972        3.86413        0.07445
  Nb      0.96847        0.93813       -0.15531
  H      -0.21526        6.68888        1.69139
  C       0.44156        4.12081        1.65450
  H      -2.28220        3.98438        1.54094
  C      -2.19641        2.91429        1.28587
  H      -4.64531        2.20872        0.68539
  H       1.53253        3.96465        1.75560
  P      -0.41030        2.43563        1.60923
  H       0.10038        4.61222        2.57197
  H      -2.79201        2.35440        2.01355
  C      -0.42280        1.95440        3.39374
  H      -0.94857        2.71298        3.98367
  H       0.59943        1.86966        3.77196
  H      -0.92456        0.99194        3.52264
  H       4.21739        1.28677        4.12047
  C       4.44095        1.63054        3.10363
  H       4.61352        2.71338        3.12108
  H       5.35621        1.13614        2.75558
  C       3.33839        1.31596        2.20968
  N       2.45512        1.06105        1.49381
  N       2.35158        0.87167       -1.91372
  C       3.16712        1.00103       -2.73585
  H       5.02936        0.49017       -3.55423
  C       4.18619        1.16084       -3.76036
  H       4.55388        2.19370       -3.77229
  H       3.77367        0.91414       -4.74585
  H       0.59505       -2.70942       -3.93927
  H      -0.96619       -3.54552       -3.78549
  H      -2.80852       -0.48177       -4.82146
  C       0.06524       -3.51272       -3.41989
  H       0.54178       -4.46990       -3.65798
  C      -3.32267       -0.31936       -3.86712
  H      -4.10692       -1.07790       -3.76022
  H      -3.79176        0.67026       -3.88209
  C      -2.37639       -0.42170       -2.76383
  P       0.07007       -3.21940       -1.60076
  H       2.47283       -3.12969       -1.79885
  H      -0.74291       -5.50805       -1.61147
  N      -1.61839       -0.51131       -1.88665
  C       1.79908       -3.42599       -0.99030
  C      -0.88694       -4.69965       -0.88775
  H       3.54507       -1.43389       -0.83627
  H       2.05410       -4.44791       -0.68930
  H      -1.96135       -4.44896       -0.89149
  H       0.15203       -7.06440       -0.25889
  Nb     -0.34891       -1.06469       -0.10287
  C       3.36377       -1.94508        0.11093
  N       1.96236       -2.45199        0.14716
  H       4.07711       -2.77445        0.20656
  N      -0.38894       -5.13056        0.40307
  C      -0.39274       -6.60659        0.57007
  H      -1.40841       -7.02411        0.60220
  H       3.52509       -1.24809        0.93263
  N      -2.32065       -0.70340        0.92535
  C       1.72132       -3.08934        1.48956
  C      -0.93381       -4.42663        1.54787
  H       2.01298       -4.14544        1.49832
  H       0.12634       -6.86567        1.49578
  H      -2.01734       -4.22909        1.47386
  P      -0.05483       -2.78543        1.90939
  C      -3.39057       -0.76046        1.37547
  H       2.32566       -2.56315        2.23328
  H      -0.78010       -5.03870        2.44212
  H      -5.45014       -0.35968        1.26461
  C      -4.73083       -0.83678        1.93956
  H      -5.02334       -1.88353        2.08178
  C      -0.17685       -2.61904        3.74132
  H      -4.76372       -0.32849        2.91019
  H       0.33998       -1.71652        4.07810
  H       0.26231       -3.49086        4.23816
  H      -1.22810       -2.54880        4.03855
     90
2i
  Nb      2.01847        0.32070        0.01073
  Nb     -0.34157       -0.00590       -0.03136
  N       2.48013        0.44327       -2.16672
  C       2.96345        0.51422       -3.22268
  C       3.57013        0.60161       -4.54101
  N       2.48601        0.35550        2.18800
  C       2.97170        0.38785        3.24478
  C       3.58047        0.42749        4.56421
  N       3.11265       -1.60662       -0.05353
  C       3.96474       -2.39734       -0.07517
  C       5.03651       -3.37891       -0.10274
  N       2.42750        2.50966        0.04086
  C       2.99270        3.52717        0.05754
  C       3.69794        4.79772        0.07842
  H       3.37001       -0.31538       -5.10767
  H       4.65471        0.73301       -4.44892
  H       3.15407        1.45378       -5.09134
  H       3.42726        5.36290        0.97837
  H       3.43183        5.39029       -0.80506
  H       4.78096        4.62589        0.07882
  H       4.93125       -4.02726       -0.98023
  H       5.00031       -3.99945        0.80019
  H       6.00852       -2.87395       -0.14755
  H       4.66474        0.56365        4.47569
  H       3.38198       -0.50997        5.09696
  H       3.16371        1.25831        5.14584
  H      -1.47381        0.91744       -3.82672
  H      -0.23732        2.18942       -3.72542
  C      -1.25232        1.90944       -3.42803
  H      -1.95484        2.62786       -3.86421
  H      -3.67523        1.30581       -2.07662
  P      -1.39395        1.93856       -1.58448
  H      -1.37262        4.31850       -2.04270
  C      -3.23179        1.84610       -1.23403
  H      -5.21643        0.13663        0.87328
  H      -3.64646        2.86704       -1.24141
  C      -0.96173        3.74048       -1.20884
  C      -4.98876        0.74190       -0.00813
  H      -2.44376        5.92022       -0.84383
  H       0.13728        3.83992       -1.24534
  H      -5.64077        1.62761        0.00134
  N      -3.54704        1.09855       -0.00697
  C      -1.84927        5.65894        0.03485
  N      -1.56138        4.20859        0.01651
  H      -5.21876        0.15322       -0.90012
  H      -0.93635        6.27262        0.03973
  C      -3.22561        1.82003        1.23404
  H      -3.63857        2.84127        1.26408
  H      -2.43897        5.89892        0.92280
  C      -0.95250        3.71153        1.22556
  H       0.14675        3.80707        1.25384
  P      -1.38580        1.90223        1.57984
  H      -3.66723        1.26380        2.06715
  H      -1.35375        4.27406        2.07448
  C      -1.24056        1.86712        3.42254
  H      -1.94229        2.58360        3.86306
  H      -1.45831        0.87407        3.81908
  H      -0.22480        2.14761        3.71718
  H       0.06862       -1.74495       -3.76782
  H      -1.67435       -1.37867       -3.79246
  C      -0.91465       -2.07164       -3.42006
  H      -1.12740       -3.06186       -3.83774
  H       0.61797       -3.91837       -2.03292
  P      -0.96685       -2.15835       -1.57221
  H      -3.08750       -3.22120       -2.08426
  C      -0.08179       -3.77070       -1.20389
  H       2.16231       -4.99044        0.96242
  H      -0.84538       -4.56471       -1.26482
  C      -2.77705       -2.58815       -1.24631
  C       1.53512       -5.00692        0.06603
  H      -4.16762       -4.81975       -0.89585
  H      -3.37050       -1.65846       -1.29428
  H       0.95280       -5.94097        0.07563
  N       0.68686       -3.79645        0.03684
  C      -4.17760       -4.16539       -0.02093
  N      -2.95030       -3.33660       -0.01702
  H       2.17937       -5.02074       -0.81824
  H      -5.09698       -3.56164       -0.03979
  C      -0.10909       -3.73143        1.25825
  H      -0.87279       -4.52489        1.32784
  H      -4.18876       -4.79672        0.87076
  C      -2.80860       -2.55362        1.19466
  H      -3.40093       -1.62240        1.19929
  P      -1.00825       -2.11223        1.56642
  H       0.57306       -3.85233        2.10606
  H      -3.14313       -3.16287        2.04085
  C      -1.01968       -2.01390        3.41436
  H      -1.21511       -3.00886        3.82921
  H      -0.06030       -1.65474        3.79489
  H      -1.81475       -1.34595        3.75703
     92
2.H2
  Nb     -0.86296        0.93011        0.00027
  N      -1.58056        2.34443        1.61278
  C      -2.03826        3.10810        2.35850
  C      -2.61139        4.06391        3.28505
  N      -1.57992        2.34618       -1.61104
  C      -2.03688        3.11111       -2.35591
  C      -2.60917        4.06818       -3.28168
  N       1.58035       -2.34422       -1.61439
  C       2.03587       -3.10701       -2.36235
  C       2.60643       -4.06131       -3.29200
  N       1.57726       -2.34566        1.61356
  C       2.03084       -3.10852        2.36260
  C       2.59891       -4.06313        3.29345
  H       2.12399       -5.04494       -3.16792
  H       3.68709       -4.17060       -3.10192
  H       2.45694       -3.71898       -4.32924
  H       2.11610       -5.04645        3.16844
  H       2.44758       -3.72068        4.33034
  H       3.67986       -4.17314        3.10553
  H      -3.70041        4.13401        3.12645
  H      -2.16565        5.05969        3.12495
  H      -2.41910        3.74969        4.32420
  H      -2.39820        3.76606       -4.32082
  H      -2.17859        5.06802       -3.10614
  H      -3.70114        4.12292       -3.13800
  Nb      0.86424       -0.93095       -0.00046
  H      -4.62528       -1.20532        2.07314
  C      -4.20333       -0.66722        1.21028
  H      -4.59096        0.37498        1.25700
  P      -2.36084       -0.59506        1.47908
  H      -6.07700       -2.52311        0.88691
  H      -6.68069       -1.08925       -0.00075
  C      -5.92274       -1.89474       -0.00131
  N      -4.54541       -1.37346       -0.00108
  H      -6.07713       -2.52199       -0.89030
  H      -4.59124        0.37651       -1.25699
  C      -4.20351       -0.66571       -1.21161
  H      -4.62550       -1.20278       -2.07509
  H      -2.69584       -3.00540       -1.22474
  P      -2.36108       -0.59295       -1.48061
  C      -1.80927       -2.34906       -1.23018
  C      -2.23057       -0.34761       -3.29102
  H      -2.65270       -1.21700       -3.81767
  H      -2.80463        0.54216       -3.58341
  H      -1.18144       -0.21127       -3.58371
  H      -2.80341        0.53733        3.58351
  C      -2.22992       -0.35237        3.28981
  H      -1.18066       -0.21701        3.58250
  H      -2.65247       -1.22223        3.81533
  H      -1.18934       -2.62015        2.09123
  C      -1.80955       -2.35097        1.22582
  H      -2.69639       -3.00694        1.21890
  H      -0.00359       -4.22600        0.88842
  N      -0.99769       -2.56618       -0.00226
  C      -0.59694       -4.00368       -0.00342
  H      -0.00424       -4.22467       -0.89602
  H      -1.48849       -4.65066       -0.00361
  H      -1.18866       -2.61647       -2.09587
  H       2.65312        1.22173       -3.81569
  H       1.18288        0.21416       -3.58315
  H       2.80696       -0.53751       -3.58377
  C       2.23185        0.35121       -3.29024
  H       1.18996        2.61869       -2.09200
  H       4.62658        1.20478       -2.07359
  P       2.36229        0.59420       -1.47949
  C       1.81049        2.34999       -1.22665
  C       4.20477        0.66673       -1.21063
  H       4.59256       -0.37540       -1.25721
  H       2.69712        3.00627       -1.22019
  H       6.07824        2.52286       -0.88753
  N       0.99882        2.56538        0.00152
  C       5.92405        1.89460        0.00077
  N       4.54676        1.37320        0.00062
  H       6.68205        1.08917        0.00032
  C       4.20498        0.66552        1.21121
  H       6.07838        2.52198        0.88968
  C       1.81046        2.34846        1.22945
  P       2.36255        0.59245        1.48021
  H       4.59290       -0.37662        1.25674
  H       2.69699        3.00487        1.22389
  H       4.62682        1.20278        2.07465
  H       1.18984        2.61597        2.09511
  C       2.23244        0.34758        3.29074
  H       2.80791       -0.54123        3.58328
  H       2.65353        1.21770        3.81700
  H       0.00526        4.22515       -0.88970
  C       0.59819        4.00291        0.00244
  H       0.00530        4.22402        0.89489
  H       1.48981        4.64979        0.00281
  H       1.18356        0.20995        3.58369
  H       0.00072        0.00045       -1.38942
  H       0.00071       -0.00062        1.38916
     92
(2.H2)b
  Nb     -0.70623        0.01982        1.14536
  N      -0.39674       -1.99335        2.10135
  C      -0.34187       -2.86647        2.86442
  C      -0.28840       -3.93154        3.84898
  N      -0.48991        2.06410        2.06149
  C      -0.50603        2.97335        2.78275
  C      -0.54169        4.09215        3.70592
  N       0.23976        1.86772       -2.05928
  C       0.26215        2.71419       -2.85493
  C       0.29006        3.75424       -3.86457
  N       0.29401       -1.97257       -1.95326
  C       0.33905       -2.84234       -2.72254
  C       0.40290       -3.90666       -3.70363
  H      -0.56702        3.63718       -4.54875
  H       1.21980        3.68528       -4.45397
  H       0.23278        4.75009       -3.39620
  H      -0.55374       -3.97737       -4.24755
  H       0.60047       -4.87333       -3.21218
  H       1.20768       -3.70074       -4.42996
  H      -1.13218       -3.82312        4.55259
  H       0.65236       -3.87690        4.41930
  H      -0.35570       -4.91729        3.36274
  H      -0.56936        5.04779        3.15746
  H       0.34563        4.07795        4.35882
  H      -1.44206        4.02027        4.33937
  Nb      0.43608       -0.02478       -0.90226
  H      -4.92586       -2.11144        0.45330
  C      -4.32735       -1.24055        0.76508
  H      -4.28284       -1.25852        1.87851
  P      -2.58981       -1.54758        0.14242
  H      -6.77927       -0.97257       -0.19307
  H      -6.76317       -0.04300        1.33768
  C      -6.39686       -0.06502        0.29419
  N      -4.92511       -0.04674        0.21571
  H      -6.80456        0.80416       -0.23979
  H      -4.32333        1.27263        1.81132
  C      -4.35984        1.19014        0.70010
  H      -4.97702        2.02695        0.33567
  H      -3.77363        1.03963       -2.05768
  P      -2.62549        1.50041        0.06982
  C      -2.71686        1.13660       -1.74950
  C      -2.51969        3.33161        0.11664
  H      -3.26290        3.75887       -0.57417
  H      -2.74431        3.69464        1.12912
  H      -1.51136        3.66037       -0.16934
  H      -2.65036       -3.68781        1.30592
  C      -2.44515       -3.37040        0.27448
  H      -1.43336       -3.69024       -0.00705
  H      -3.18534       -3.84532       -0.38691
  H      -2.24871       -2.15719       -2.16350
  C      -2.69120       -1.27407       -1.69152
  H      -3.74953       -1.21543       -2.00323
  H      -1.27375       -0.99293       -3.92174
  N      -1.94617       -0.07070       -2.13072
  C      -1.83294       -0.10433       -3.60754
  H      -1.30025        0.78449       -3.96402
  H      -2.82736       -0.13033       -4.08478
  H      -2.29407        2.00563       -2.26403
  H       3.15658        3.81001        0.22707
  H       1.36720        3.65543        0.08608
  H       2.40540        3.62520       -1.37270
  C       2.33238        3.32318       -0.32027
  H       2.25232        2.08488        2.04469
  H       4.74309        2.06790       -0.92406
  P       2.49826        1.49873       -0.20167
  C       2.97748        1.40389        1.58340
  C       4.09496        1.20206       -1.12919
  H       3.84377        1.22981       -2.21268
  H       4.01112        1.76562        1.72724
  H       6.67662        0.86962       -0.51935
  N       2.81389        0.11505        2.30757
  C       6.21487       -0.02062       -0.97389
  N       4.75818       -0.00745       -0.70846
  H       6.45187       -0.03173       -2.05827
  C       4.07042       -1.21324       -1.10283
  H       6.66756       -0.90806       -0.50640
  C       3.27602       -1.12946        1.64238
  P       2.52759       -1.47784       -0.04567
  H       3.76007       -1.23765       -2.17082
  H       4.36761       -1.10482        1.52027
  H       4.72584       -2.08108       -0.93176
  H       2.99625       -1.96298        2.31073
  C       2.36519       -3.30838       -0.00310
  H       2.40226       -3.69609       -1.03123
  H       3.20457       -3.75229        0.55528
  H       2.87560        1.09093        4.19596
  C       3.32697        0.21651        3.70927
  H       3.04780       -0.68555        4.26611
  H       4.42711        0.31808        3.69817
  H       1.41123       -3.60095        0.45854
  H       0.51628        0.04387        2.48646
  H       1.73750        0.02366        2.36072
     92
(2.H2)c
  Nb     -1.06957        0.99665        0.20451
  N      -2.79786        0.95707       -1.32099
  C      -3.72666        1.21513       -1.97467
  C      -4.88238        1.54469       -2.79705
  N      -2.79185        0.58214        1.63528
  C      -3.64812        0.75164        2.40851
  C      -4.70064        0.99179        3.38583
  N       2.56049       -0.69799        1.67097
  C       3.41972       -0.88301        2.43280
  C       4.50316       -1.10361        3.38298
  N       2.30784       -1.04103       -1.64775
  C       3.13636       -1.31309       -2.41914
  C       4.17917       -1.65551       -3.37768
  H       5.28635       -0.34975        3.24178
  H       4.94443       -2.09520        3.23122
  H       4.12868       -1.03253        4.41040
  H       5.11798       -1.15876       -3.10655
  H       3.89005       -1.33855       -4.38621
  H       4.34653       -2.73880       -3.38158
  H      -5.09686        2.61741       -2.71957
  H      -5.76301        0.98934       -2.45488
  H      -4.68981        1.29713       -3.84720
  H      -4.40575        0.59599        4.36444
  H      -5.63581        0.51388        3.07291
  H      -4.87632        2.07008        3.48240
  Nb      0.85120       -0.57509        0.07510
  H       0.14701        4.86579       -2.28729
  C      -0.22097        4.38792       -1.37328
  H      -1.31386        4.56036       -1.33693
  P       0.08204        2.53750       -1.57825
  H       1.19177        6.62988       -1.30490
  H      -0.27344        6.95650       -0.34151
  C       0.68057        6.40929       -0.36469
  N       0.49845        4.94381       -0.24060
  H       1.31117        6.76425        0.45401
  H      -1.14109        4.75509        1.14322
  C      -0.05343        4.57362        1.05115
  H       0.43705        5.17383        1.82491
  H       2.56460        3.51152        0.93535
  P       0.28063        2.77533        1.48883
  C       2.08325        2.53172        1.05569
  C       0.26618        2.79688        3.33379
  H       1.03755        3.47262        3.71921
  H      -0.70712        3.15173        3.68750
  H       0.43325        1.78933        3.72326
  H      -1.24080        2.61658       -3.63613
  C      -0.21513        2.32594       -3.38985
  H      -0.06388        1.28524       -3.68568
  H       0.46348        2.96727       -3.96264
  H       2.28397        1.79096       -2.24655
  C       1.92363        2.38263       -1.40123
  H       2.38220        3.37933       -1.45693
  H       4.05308        0.88389       -1.10624
  N       2.32772        1.68009       -0.15068
  C       3.80954        1.49818       -0.23988
  H       4.17938        1.00799        0.65878
  H       4.31463        2.46664       -0.34516
  H       2.54110        2.02616        1.90894
  H       0.30020       -4.00606        3.51961
  H       0.41249       -2.23430        3.72894
  H       1.82258       -3.16976        3.18287
  C       0.73494       -3.08369        3.12041
  H      -1.92998       -3.20963        2.46247
  H       0.94482       -5.17379        1.22052
  P       0.24068       -2.84040        1.35695
  C      -1.56436       -3.37149        1.44566
  C       0.96379       -4.35155        0.49723
  H       2.02381       -4.14196        0.26666
  H      -1.64589       -4.43070        1.19200
  H       0.20417       -6.79649       -0.19933
  N      -2.50054       -2.61870        0.53085
  C       0.41096       -6.14613       -1.05273
  N       0.17248       -4.73412       -0.66368
  H       1.44346       -6.32099       -1.38866
  C       0.31150       -3.83204       -1.79733
  H      -0.27294       -6.41827       -1.86042
  C      -2.21476       -2.78737       -0.94374
  P      -0.53206       -2.15766       -1.52388
  H       1.36026       -3.63819       -2.07897
  H      -2.30759       -3.85259       -1.16711
  H      -0.17799       -4.29062       -2.66292
  H      -2.99569       -2.23671       -1.47281
  C      -0.92666       -1.68613       -3.26719
  H       0.00969       -1.52980       -3.81130
  H      -1.49142       -2.47440       -3.77650
  H      -4.13217       -2.80464        1.89321
  C      -3.93850       -2.98436        0.83489
  H      -4.59702       -2.37134        0.21809
  H      -4.08935       -4.04050        0.60547
  H      -1.49515       -0.75437       -3.27932
  H      -2.36838       -1.61517        0.74711
  H      -0.11239        0.12483        1.58746
     92
(2.H2)d
  Nb     -0.90534        1.08260       -0.16426
  N      -1.81092        1.93740       -2.06263
  C      -2.33421        2.48537       -2.94789
  C      -2.99266        3.17454       -4.04706
  N      -2.57168        1.74842        1.18780
  C      -3.46291        2.22583        1.76459
  C      -4.58246        2.82202        2.48002
  N       2.06056       -2.91045        0.98667
  C       2.67523       -3.77343        1.46458
  C       3.44341       -4.85580        2.06775
  N       2.50149       -1.21815       -1.26731
  C       3.36599       -1.58932       -1.94964
  C       4.45309       -2.05126       -2.80130
  H       2.86065       -5.33168        2.86446
  H       4.37025       -4.46243        2.50043
  H       3.69510       -5.60958        1.31346
  H       5.39373       -1.57074       -2.50767
  H       4.24490       -1.81010       -3.85009
  H       4.56783       -3.13717       -2.70461
  H      -2.77418        4.24812       -3.99743
  H      -4.07809        3.03206       -3.99050
  H      -2.63177        2.78604       -5.00682
  H      -4.56877        2.51609        3.53258
  H      -5.52999        2.50112        2.03123
  H      -4.52418        3.91555        2.42543
  Nb      0.85298       -0.90245        0.38095
  H       2.10621        4.32763       -1.79856
  C       1.36155        4.01063       -1.06137
  H       0.38099        4.39949       -1.38946
  P       1.29380        2.10827       -1.17358
  H       3.24949        5.79351       -0.47845
  H       1.71608        6.59753       -0.04825
  C       2.41835        5.79933        0.23074
  N       1.77855        4.46153        0.24469
  H       2.82122        6.01339        1.22356
  H      -0.19106        4.83814        1.01977
  C       0.76310        4.33576        1.26866
  H       1.13562        4.78785        2.19428
  H       2.72310        2.48927        2.30030
  P       0.34377        2.54636        1.67725
  C       1.97529        1.71885        2.06780
  C      -0.41303        2.71683        3.34956
  H       0.33690        3.09356        4.05343
  H      -1.23764        3.43359        3.31515
  H      -0.78493        1.75361        3.70657
  H       0.96691        2.35684       -3.57667
  C       1.70588        1.84097       -2.95650
  H       1.70054        0.78020       -3.21322
  H       2.69292        2.26078       -3.17805
  H       3.47010        1.02399       -0.86749
  C       2.83285        1.61929       -0.21521
  H       3.37751        2.52680        0.07463
  H       4.18441       -0.47733        0.79334
  N       2.49851        0.80900        1.00067
  C       3.76864        0.20758        1.53336
  H       3.54557       -0.34428        2.44819
  H       4.50819        0.98614        1.75431
  H       1.81103        1.11798        2.96504
  H      -2.36981       -2.53415        3.54586
  H      -1.35098       -1.06430        3.56057
  H      -0.60643       -2.66069        3.74816
  C      -1.40649       -2.10890        3.24513
  H      -3.19003       -0.87718        1.49696
  H      -2.13809       -4.42312        1.81524
  P      -1.17740       -2.23382        1.42438
  C      -2.76691       -1.52861        0.72932
  C      -1.36893       -4.07514        1.11751
  H      -0.42326       -4.57041        1.40137
  H      -3.47122       -2.35025        0.54680
  H      -3.20910       -5.82889        0.35399
  N      -2.61419       -0.71014       -0.51963
  C      -2.38379       -5.72680       -0.35485
  N      -1.80519       -4.36808       -0.23720
  H      -1.64565       -6.51799       -0.15696
  C      -0.78762       -4.11920       -1.24098
  H      -2.78455       -5.86154       -1.36250
  C      -2.18326       -1.57108       -1.66481
  P      -0.46520       -2.28299       -1.48969
  H       0.18337       -4.60425       -1.02949
  H      -2.90011       -2.39119       -1.80634
  H      -1.14297       -4.50515       -2.20234
  H      -2.19403       -0.95337       -2.56808
  C       0.14640       -2.26408       -3.23463
  H       1.02631       -2.90714       -3.32377
  H      -0.62811       -2.65733       -3.90176
  H      -4.37512        0.40524       -0.06539
  C      -3.98805       -0.21407       -0.87247
  H      -3.93978        0.37598       -1.78741
  H      -4.67216       -1.05567       -1.03025
  H       0.41159       -1.25428       -3.55703
  H      -0.32086        0.13167        1.33354
  H       0.90472       -1.03543        2.12356
     92
(2.H2)e
  Nb     -0.90280        1.04181        0.00423
  N      -2.43954        1.14600       -1.60602
  C      -3.31322        1.38860       -2.33696
  C      -4.40081        1.70118       -3.25343
  N      -2.44145        1.14037        1.61496
  C      -3.31551        1.38000        2.34628
  C      -4.40348        1.68918        3.26343
  N       2.04280       -0.60415        1.54616
  C       2.98084       -0.59013        2.23523
  C       4.15325       -0.57253        3.09924
  N       2.05165       -0.60623       -1.53671
  C       2.99335       -0.59402       -2.22080
  C       4.17038       -0.57848       -3.07851
  H       4.80342        0.27146        2.84444
  H       4.72218       -1.50149        2.97736
  H       3.85048       -0.48388        4.14885
  H       4.81263        0.27372       -2.83118
  H       3.87309       -0.50593       -4.13092
  H       4.74569       -1.50139       -2.94103
  H      -4.56792        2.78438       -3.27950
  H      -5.32599        1.21481       -2.92378
  H      -4.15808        1.35636       -4.26500
  H      -4.16391        1.33426        4.27231
  H      -5.33007        1.20950        2.92796
  H      -4.56623        2.77270        3.29883
  Nb      0.46113       -0.99950        0.00072
  H      -0.17898        5.09391       -2.07914
  C      -0.44691        4.45250       -1.23293
  H      -1.54273        4.30282       -1.27398
  P       0.40088        2.78759       -1.54818
  H       0.32530        6.96811       -0.90527
  H      -1.22099        6.84769       -0.02462
  C      -0.16176        6.55036       -0.02079
  N       0.01755        5.08135       -0.01306
  H       0.32134        6.97695        0.86165
  H      -1.55021        4.31499        1.24631
  C      -0.45420        4.46478        1.21022
  H      -0.19168        5.11482        2.05155
  H       2.29409        4.30001        1.28382
  P       0.39234        2.80359        1.54767
  C       2.19695        3.20220        1.23085
  C       0.29123        2.67055        3.38693
  H       0.84191        3.49337        3.85504
  H      -0.75211        2.72395        3.70947
  H       0.71100        1.71940        3.72460
  H      -0.72968        2.68396       -3.71642
  C       0.31170        2.63648       -3.38670
  H       0.73607        1.68308       -3.71214
  H       0.86334        3.45605       -3.85935
  H       2.76058        2.76342       -2.06465
  C       2.20346        3.19021       -1.22457
  H       2.30034        4.28751       -1.28729
  H       4.64743        2.30415       -0.87189
  N       2.75556        2.63117        0.00735
  C       4.22395        2.79278        0.01049
  H       4.64247        2.31421        0.90070
  H       4.54434        3.84633        0.00545
  H       2.74898        2.78300        2.07808
  H      -0.59888       -3.88436        3.88391
  H      -0.90128       -2.12341        3.81997
  H       0.75958       -2.74394        3.81127
  C      -0.25964       -2.93283        3.46081
  H      -2.63065       -3.43553        2.08941
  H       0.71584       -5.16559        2.05899
  P      -0.26123       -2.97664        1.61360
  C      -1.96079       -3.72209        1.27486
  C       0.83399       -4.46902        1.22265
  H       1.88620       -4.13247        1.22788
  H      -1.89143       -4.81144        1.23154
  H       0.46663       -7.07277        0.87877
  N      -2.62890       -3.26155       -0.00453
  C       0.87258       -6.57334       -0.00422
  N       0.44390       -5.15047       -0.00335
  H       1.96637       -6.68395       -0.00283
  C       0.83633       -4.46672       -1.22735
  H       0.46902       -7.07097       -0.88931
  C      -1.95827       -3.71980       -1.28348
  P      -0.25820       -2.97360       -1.61777
  H       1.88855       -4.13019       -1.22985
  H      -1.88879       -4.80920       -1.24172
  H       0.71980       -5.16175       -2.06518
  H      -2.62662       -3.43209       -2.09886
  C      -0.25339       -2.92670       -3.46493
  H       0.76627       -2.73648       -3.81331
  H      -0.59126       -3.87768       -3.89035
  H      -4.56923       -3.26111        0.88842
  C      -4.09124       -3.66256       -0.00629
  H      -4.56752       -3.25986       -0.90135
  H      -4.15648       -4.75192       -0.00708
  H      -0.89514       -2.11720       -3.82380
  H      -1.40629       -0.83631       -0.00057
  H      -2.56551       -2.22912       -0.00344
     92
(2.H2)f
  Nb     -0.85982        0.80538       -0.00226
  N      -2.45107        0.33688       -1.55324
  C      -3.34514        0.39975       -2.29962
  C      -4.45201        0.49789       -3.24469
  N      -2.44642        0.33292        1.55142
  C      -3.33491        0.39255        2.30463
  C      -4.43369        0.48668        3.25939
  N       2.39743       -0.31205        1.54694
  C       3.29289       -0.39188        2.29041
  C       4.40102       -0.51836        3.23001
  N       2.40598       -0.31181       -1.54005
  C       3.30501       -0.39158       -2.27921
  C       4.41872       -0.51790       -3.21225
  H       5.22822        0.14110        2.94482
  H       4.77129       -1.55023        3.23251
  H       4.07599       -0.25963        4.24405
  H       5.24462        0.14072       -2.92153
  H       4.09989       -0.25794       -4.22796
  H       4.78826       -1.55005       -3.21364
  H      -4.83298        1.52550       -3.26917
  H      -5.27299       -0.16498       -2.94965
  H      -4.12035        0.22208       -4.25202
  H      -4.11041        0.14456        4.24895
  H      -5.28291       -0.12438        2.93399
  H      -4.77080        1.52665        3.34032
  Nb      0.80850       -0.78350       -0.00066
  H      -0.84474        4.97258       -2.06641
  C      -1.01334        4.28919       -1.22750
  H      -2.08248        4.01060       -1.24391
  P      -0.00020        2.73017       -1.58061
  H      -0.58772        6.88180       -0.88472
  H      -2.09506        6.52393       -0.00345
  C      -1.00336        6.39079       -0.00139
  N      -0.60501        4.96101       -0.00109
  H      -0.59126        6.88116        0.88395
  H      -2.08528        4.01088        1.23874
  C      -1.01595        4.28890        1.22425
  H      -0.84842        4.97188        2.06372
  H       1.69595        4.51143        1.22563
  P      -0.00394        2.72955        1.57853
  C       1.72590        3.42090        1.27479
  C      -0.02513        2.65477        3.42692
  H       0.36625        3.57495        3.87359
  H      -1.05770        2.52282        3.76430
  H       0.56002        1.79902        3.77482
  H      -1.04822        2.52491       -3.76934
  C      -0.01649        2.65623       -3.42912
  H       0.56913        1.80018       -3.77545
  H       0.37671        3.57634       -3.87439
  H       2.38149        3.11057       -2.09160
  C       1.72926        3.42074       -1.27245
  H       1.70001        4.51132       -1.22388
  H       4.31554        2.84075       -0.88970
  N       2.38084        2.92950        0.00208
  C       3.85522        3.26377        0.00394
  H       4.31303        2.84205        0.89947
  H       3.97217        4.34879        0.00333
  H       2.37630        3.11152        2.09568
  H      -0.35534       -3.58577        3.87202
  H      -0.61072       -1.81762        3.77838
  H       1.03098       -2.48434        3.77117
  C       0.00498       -2.65119        3.42930
  H      -2.37075       -3.19833        2.08062
  H       0.93170       -4.92687        2.07296
  P      -0.00336       -2.72167        1.58068
  C      -1.70152       -3.48181        1.26536
  C       1.07487       -4.23759        1.23418
  H       2.13110       -3.91313        1.25593
  H      -1.62918       -4.57041        1.21692
  H       0.78019       -6.84648        0.89444
  N      -2.36436       -3.01606       -0.01315
  C       1.17313       -6.33709        0.01130
  N       0.70415       -4.92900        0.00674
  H       2.27027       -6.41530        0.01701
  C       1.08961       -4.24052       -1.21782
  H       0.78910       -6.84929       -0.87415
  C      -1.68789       -3.48835       -1.28214
  P       0.01243       -2.72794       -1.58351
  H       2.14520       -3.91351       -1.22628
  H      -1.61470       -4.57656       -1.22659
  H       0.95924       -4.93256       -2.05638
  H      -2.34874       -3.21015       -2.10603
  C       0.03999       -2.66585       -3.43232
  H       1.06873       -2.49591       -3.76424
  H      -0.31148       -3.60415       -3.87432
  H      -4.30590       -2.99374        0.87090
  C      -3.82677       -3.40141       -0.02000
  H      -4.29598       -2.99915       -0.91861
  H      -3.90399       -4.48999       -0.01726
  H      -0.57593       -1.83686       -3.79187
  H      -2.28532       -1.98193       -0.01526
  H       2.26993        1.89781        0.00199
     92
(2.H2)g
  Nb     -1.29236        0.57487        0.00180
  N      -2.50388        0.68868       -1.89617
  C      -3.29649        0.94543       -2.70936
  C      -4.28731        1.27370       -3.72325
  N      -2.50061        0.67672        1.90167
  C      -3.28928        0.92804        2.72042
  C      -4.27551        1.24793        3.74159
  N       2.48978       -0.68155        1.90586
  C       3.27805       -0.93394        2.72449
  C       4.26514       -1.25542        3.74457
  N       2.50465       -0.68517       -1.89545
  C       3.30232       -0.94292       -2.70328
  C       4.30214       -1.27102       -3.70849
  H       5.14220       -0.60554        3.63892
  H       4.58624       -2.29903        3.64232
  H       3.83969       -1.10773        4.74445
  H       5.17121       -0.61009       -3.60532
  H       3.88441       -1.14434       -4.71448
  H       4.63263       -2.30942       -3.58612
  H      -4.54951        2.33679       -3.66260
  H      -5.19543        0.67851       -3.56960
  H      -3.89262        1.05656       -4.72309
  H      -3.90551        0.95571        4.73182
  H      -5.20934        0.70802        3.54446
  H      -4.48606        2.32422        3.73824
  Nb      1.28761       -0.57331        0.00069
  H       0.10279        4.65125       -2.06402
  C      -0.30264        4.09132       -1.21427
  H      -1.40378        4.16174       -1.25093
  P       0.14091        2.27610       -1.50583
  H       0.95797        6.40693       -0.88463
  H      -0.57860        6.58938        0.00138
  C       0.40073        6.09057        0.00062
  N       0.28546        4.61280        0.00138
  H       0.96001        6.40780        0.88429
  H      -1.40320        4.16543        1.25563
  C      -0.30230        4.09245        1.21778
  H       0.10560        4.65159        2.06686
  H       2.31870        3.35837        1.17150
  P       0.13808        2.27641        1.51034
  C       1.98735        2.31348        1.23125
  C       0.01750        2.16937        3.35164
  H       0.73739        2.86115        3.80200
  H      -0.98276        2.46636        3.67606
  H       0.22340        1.15782        3.70701
  H      -0.98021        2.45924       -3.67082
  C       0.02201        2.16855       -3.34695
  H       0.23449        1.15852       -3.70266
  H       0.73739        2.86514       -3.79704
  H       2.47047        1.84638       -2.08369
  C       1.99027        2.31389       -1.22348
  H       2.32090        3.35901       -1.16285
  H       4.28859        1.04108       -0.88099
  N       2.42406        1.57565        0.00441
  C       3.92359        1.55590        0.00736
  H       4.28457        1.03722        0.89520
  H       4.31636        2.57949        0.01067
  H       2.46560        1.84566        2.09225
  H      -0.74855       -2.86712        3.79394
  H      -0.23590       -1.16312        3.70180
  H       0.97151       -2.47030        3.66919
  C      -0.02896       -2.17404        3.34516
  H      -2.47727       -1.85413        2.08038
  H      -0.10960       -4.65408        2.05878
  P      -0.14669       -2.27863        1.50395
  C      -1.99514       -2.31757        1.21927
  C       0.29698       -4.09376        1.20984
  H       1.39803       -4.16489        1.24745
  H      -2.32418       -3.36283        1.15403
  H      -0.96631       -6.40854        0.87619
  N      -2.42799       -1.57595       -0.00638
  C      -0.40596       -6.09185       -0.00706
  N      -0.29069       -4.61394       -0.00665
  H       0.57315       -6.59101       -0.00486
  C       0.29871       -4.09218       -1.22180
  H      -0.96266       -6.40878       -0.89252
  C      -1.99113       -2.31118       -1.23485
  P      -0.14157       -2.27584       -1.51220
  H       1.39972       -4.16566       -1.25916
  H      -2.32407       -3.35576       -1.17828
  H      -0.10826       -4.64985       -2.07231
  H      -2.46777       -1.84043       -2.09511
  C      -0.01899       -2.16551       -3.35274
  H       0.98353       -2.45555       -3.67633
  H      -0.73433       -2.86047       -3.80555
  H      -4.29182       -1.04049        0.87955
  C      -3.92755       -1.55556       -0.00890
  H      -4.28830       -1.03708       -0.89670
  H      -4.32097       -2.57889       -0.01165
  H      -0.23052       -1.15440       -3.70587
  H      -1.88776        2.21210        0.00392
  H       1.87968       -2.20927       -0.00039
     92
(2.H2)h
  Nb     -0.89623        0.79091       -0.00161
  N      -2.37074        0.19099       -1.60147
  C      -3.26882        0.10771       -2.33484
  C      -4.39520        0.00807       -3.25322
  N      -2.37586        0.19697        1.59594
  C      -3.27442        0.12109        2.32969
  C      -4.40092        0.02988        3.24894
  N       2.44517       -0.37025        1.54422
  C       3.33056       -0.53337        2.28664
  C       4.41785       -0.74762        3.23203
  N       2.45094       -0.36736       -1.53052
  C       3.33960       -0.52989       -2.26916
  C       4.43112       -0.74312       -3.20992
  H       5.31501       -0.19757        2.92651
  H       4.66477       -1.81541        3.27485
  H       4.11905       -0.41852        4.23425
  H       5.32659       -0.19246       -2.90042
  H       4.13635       -0.41421       -4.21340
  H       4.67923       -1.81069       -3.25181
  H      -5.00362        0.91803       -3.19728
  H      -5.02500       -0.84888       -2.98950
  H      -4.03976       -0.11738       -4.28212
  H      -4.05285       -0.21987        4.25743
  H      -5.10099       -0.74346        2.91372
  H      -4.93218        0.98797        3.28525
  Nb      0.81466       -0.71008        0.00335
  H      -0.75141        5.00319       -2.06773
  C      -0.95516        4.33067       -1.22767
  H      -2.03093        4.08580       -1.25282
  P       0.00311        2.73924       -1.56580
  H      -0.45301        6.90923       -0.88538
  H      -1.96928        6.59777       -0.00208
  C      -0.88261        6.43242       -0.00114
  N      -0.52800        4.98929       -0.00087
  H      -0.45465        6.90923        0.88388
  H      -2.03358        4.08586        1.24790
  C      -0.95771        4.33052        1.22498
  H      -0.75548        5.00286        2.06555
  H       1.74076        4.47316        1.25847
  P      -0.00039        2.73891        1.56463
  C       1.75074        3.38129        1.28069
  C      -0.04928        2.60582        3.40592
  H       0.35111        3.50734        3.88185
  H      -1.09004        2.48456        3.72152
  H       0.51592        1.73115        3.73926
  H      -1.08292        2.48495       -3.72448
  C      -0.04266        2.60643       -3.40725
  H       0.52346        1.73215       -3.74004
  H       0.35808        3.50830       -3.88222
  H       2.39461        3.04238       -2.09472
  C       1.75357        3.38172       -1.27812
  H       1.74342        4.47358       -1.25553
  H       4.35757        2.91421       -0.89123
  N       2.41647        2.91716        0.00194
  C       3.87974        3.31491        0.00370
  H       4.35564        2.91350        0.89935
  H       3.94634        4.40412        0.00422
  H       2.38995        3.04161        2.09858
  H      -0.43035       -3.36284        3.86441
  H      -0.62997       -1.59600        3.72925
  H       0.99424       -2.31167        3.73311
  C      -0.03738       -2.45286        3.39811
  H      -2.42469       -2.99080        2.06303
  H       0.89333       -4.75787        2.06972
  P      -0.09514       -2.59176        1.55751
  C      -1.79780       -3.30294        1.22247
  C       1.03581       -4.07209        1.22759
  H       2.09131       -3.73337        1.26849
  H      -1.70480       -4.40084        1.26716
  H       0.79673       -6.68707        0.88586
  N      -2.42304       -2.82314       -0.00610
  C       1.18442       -6.17089        0.00450
  N       0.69863       -4.77255        0.00326
  H       2.28326       -6.23584        0.00915
  C       1.04475       -4.07092       -1.21788
  H       0.80431       -6.68604       -0.88075
  C      -1.78990       -3.30399       -1.23023
  P      -0.08573       -2.59184       -1.55554
  H       2.10007       -3.73060       -1.25003
  H      -1.69584       -4.40187       -1.27304
  H       0.91016       -4.75630       -2.06159
  H      -2.41168       -2.99338       -2.07514
  C      -0.01723       -2.45331       -3.39579
  H       1.01595       -2.30916       -3.72461
  H      -0.40469       -3.36454       -3.86430
  H      -4.33755       -2.72351        0.87434
  C      -3.86155       -3.15523       -0.01063
  H      -4.33210       -2.72230       -0.89795
  H      -4.05590       -4.23858       -0.01196
  H      -0.61044       -1.59834       -3.73073
  H       2.35834        1.88535        0.00162
  H      -2.05103        2.04427       -0.00448
     94
2.H4
  Nb     -1.06165        0.65105        0.00074
  N      -1.41088        2.30685        1.45049
  C      -1.57063        3.21309        2.15669
  C      -1.77964        4.34169        3.03996
  N      -1.41449        2.30473       -1.45060
  C      -1.57560        3.21021       -2.15747
  C      -1.78615        4.33798       -3.04143
  N       1.40969       -2.30670       -1.44903
  C       1.56840       -3.21304       -2.15533
  C       1.77626       -4.34188       -3.03857
  N       1.41475       -2.30393        1.45217
  C       1.57702       -3.20897        2.15933
  C       1.78885       -4.33601        3.04393
  H       1.11253       -5.17338       -2.75000
  H       2.82317       -4.68215       -2.97503
  H       1.55592       -4.05226       -4.07929
  H       1.12130       -5.16686        2.76223
  H       1.57639       -4.04318        4.08545
  H       2.83462       -4.67864        2.97394
  H      -2.81104        4.71704        2.93396
  H      -1.07667        5.15272        2.78836
  H      -1.61496        4.03692        4.08670
  H      -1.56469        4.04824       -4.08195
  H      -1.12456        5.17136       -2.75310
  H      -2.83402        4.67564       -2.97844
  Nb      1.06134       -0.65060        0.00054
  H      -5.25572        0.14073        2.06912
  C      -4.62425        0.43201        1.21535
  H      -4.49490        1.53552        1.26820
  P      -2.96266       -0.36817        1.50442
  H      -7.09873       -0.47416        0.88398
  H      -7.07284        1.08012       -0.00638
  C      -6.70295        0.03764       -0.00427
  N      -5.23384       -0.04178       -0.00253
  H      -7.09678       -0.47707       -0.89171
  H      -4.49219        1.53134       -1.27683
  C      -4.62160        0.42802       -1.22061
  H      -5.25115        0.13384       -2.07482
  H      -4.38010       -2.32245       -1.27974
  P      -2.95944       -0.37319       -1.50318
  C      -3.28075       -2.19046       -1.21433
  C      -2.68085       -0.22666       -3.30640
  H      -3.46296       -0.77813       -3.85093
  H      -2.71969        0.82887       -3.60813
  H      -1.69488       -0.63678       -3.56500
  H      -2.73102        0.84081        3.60621
  C      -2.68875       -0.21556        3.30787
  H      -1.70254       -0.62257        3.57043
  H      -3.47102       -0.76713        3.85208
  H      -2.83375       -2.70798        2.07899
  C      -3.28306       -2.18647        1.22097
  H      -4.38249       -2.31852        1.28483
  H      -2.06689       -4.50691        0.90045
  N      -2.70251       -2.71045        0.00471
  C      -2.61493       -4.17340        0.00722
  H      -2.06510       -4.50985       -0.88382
  H      -3.60489       -4.66785        0.00703
  H      -2.83002       -2.71492       -2.06979
  H       3.46661        0.76726       -3.85321
  H       1.69837        0.62485       -3.56903
  H       2.72489       -0.83983       -3.60672
  C       2.68445        0.21651       -3.30803
  H       2.83268        2.70840       -2.07885
  H       5.25308       -0.14143       -2.07253
  P       2.96095        0.36842       -1.50492
  C       3.28266        2.18647       -1.22144
  C       4.62243       -0.43271       -1.21815
  H       4.49246       -1.53613       -1.27124
  H       4.38209        2.31792       -1.28653
  H       7.09782        0.47171       -0.88925
  N       2.70377        2.71053       -0.00444
  C       6.70268       -0.04010       -0.00071
  N       5.23364        0.04033       -0.00079
  H       7.07186       -1.08283        0.00064
  C       4.62243       -0.42939        1.21785
  H       7.09788        0.47404        0.88645
  C       3.28311        2.18994        1.21383
  P       2.96109        0.37283        1.50271
  H       4.49231       -1.53265        1.27388
  H       4.38261        2.32129        1.27801
  H       5.25318       -0.13593        2.07141
  H       2.83367        2.71448        2.06992
  C       2.68487        0.22619        3.30628
  H       2.72400       -0.82935        3.60791
  H       3.46781        0.77751        3.84977
  H       2.06845        4.50766       -0.89908
  C       2.61722        4.17355       -0.00653
  H       2.06861        4.51020        0.88518
  H       3.60754        4.66729       -0.00731
  H       1.69933        0.63646        3.56631
  H      -0.00060       -0.00010       -1.45520
  H       0.00028        0.00057        1.45661
  H      -0.84348       -1.19758        0.00302
  H       0.84325        1.19808       -0.00147
     94
(2.H4)b
  Nb     -0.62039        1.09121       -0.04657
  N      -2.42860        0.88287       -1.39003
  C      -3.37903        1.03563       -2.04642
  C      -4.55963        1.23300       -2.87937
  N      -2.20415        1.89234        1.42274
  C      -3.00888        2.34195        2.13279
  C      -4.00747        2.91483        3.02739
  N       2.42819       -0.88222        1.39016
  C       3.37843       -1.03551        2.04654
  C       4.55937       -1.23339        2.87912
  N       2.20448       -1.89178       -1.42273
  C       3.00853       -2.34160       -2.13342
  C       4.00625       -2.91436       -3.02903
  H       5.28358       -0.42696        2.71969
  H       5.04037       -2.18570        2.62835
  H       4.28036       -1.24799        3.93900
  H       4.97050       -2.41106       -2.89889
  H       3.68710       -2.80303       -4.07132
  H       4.13798       -3.98054       -2.81257
  H      -5.03172        2.19278       -2.64023
  H      -5.29109        0.43559       -2.70812
  H      -4.28225        1.23140       -3.93972
  H      -3.69380        2.79549        4.07043
  H      -4.97392        2.41768        2.88979
  H      -4.13208        3.98303        2.81678
  Nb      0.62036       -1.09025        0.04618
  H      -0.19277        5.65520       -1.60961
  C      -0.30267        4.90076       -0.82366
  H      -1.35900        4.92024       -0.49869
  P       0.03165        3.22492       -1.61215
  H       0.94193        7.19452       -0.39316
  H      -0.25268        7.04624        0.92089
  C       0.69738        6.65682        0.52614
  N       0.64144        5.20222        0.24362
  H       1.48825        6.85365        1.25411
  H      -0.61945        4.41953        1.79797
  C       0.43129        4.42679        1.45840
  H       1.02536        4.87838        2.25930
  H       2.96478        3.96352        0.52987
  P       1.00934        2.63167        1.31862
  C       2.68066        2.90976        0.48653
  C       1.50560        2.28309        3.06375
  H       2.27084        2.98365        3.41459
  H       0.62282        2.38850        3.70248
  H       1.86697        1.25688        3.15119
  H      -1.68421        3.64014       -3.28956
  C      -0.60823        3.44462       -3.33237
  H      -0.44164        2.53526       -3.91669
  H      -0.12834        4.29160       -3.83401
  H       2.11228        3.01362       -2.90892
  C       1.88994        3.35100       -1.89367
  H       2.22872        4.38215       -1.77117
  H       4.13764        2.03680       -2.49069
  N       2.71697        2.48569       -0.96540
  C       4.14170        2.39569       -1.46040
  H       4.69390        1.70355       -0.82314
  H       4.59600        3.38698       -1.41410
  H       3.43032        2.30601        1.00204
  H       0.12834       -4.29034        3.83414
  H       0.44134       -2.53396        3.91610
  H       1.68421       -3.63897        3.28945
  C       0.60823       -3.44351        3.33218
  H      -2.11174       -3.01357        2.90896
  H       0.19418       -5.65458        1.61009
  P      -0.03146       -3.22447        1.61200
  C      -1.88965       -3.35112        1.89376
  C       0.30352       -4.90040        0.82386
  H       1.35978       -4.91939        0.49857
  H      -2.22835       -4.38238        1.77162
  H      -0.94077       -7.19482        0.39381
  N      -2.71709       -2.48625        0.96561
  C      -0.69618       -6.65716       -0.52548
  N      -0.64068       -5.20252       -0.24318
  H       0.25407       -7.04632       -0.91998
  C      -0.43072       -4.42706       -1.45794
  H      -1.48685       -6.85435       -1.25358
  C      -2.68063       -2.91044       -0.48630
  P      -1.00926       -2.63211       -1.31828
  H       0.62010       -4.41941       -1.79714
  H      -2.96427       -3.96435       -0.52928
  H      -1.02454       -4.87871       -2.25900
  H      -3.43050       -2.30719       -1.00215
  C      -1.50534       -2.28410       -3.06345
  H      -0.62243       -2.38931       -3.70200
  H      -2.27031       -2.98495       -3.41431
  H      -4.13709       -2.03758        2.49146
  C      -4.14167       -2.39601        1.46103
  H      -4.69408       -1.70368        0.82418
  H      -4.59594       -3.38747        1.41470
  H      -1.86700       -1.25799       -3.15092
  H       0.70906        0.37199       -1.22949
  H      -0.71034       -0.37239        1.22784
  H      -2.28324       -1.53975        0.99528
  H       2.28288        1.53939       -0.99499
     94
(2.H4)c
  Nb     -0.48290        1.30708        0.00176
  N      -2.11585        1.84661       -1.44487
  C      -2.90293        2.32884       -2.15812
  C      -3.86493        2.93598       -3.06978
  N      -2.11193        1.84703        1.45265
  C      -2.89774        2.32657        2.16908
  C      -3.85828        2.92985        3.08481
  N       2.11153       -1.84616        1.45376
  C       2.89672       -2.32479        2.17144
  C       3.85587       -2.92764        3.08890
  N       2.11692       -1.84631       -1.44403
  C       2.90425       -2.32811       -2.15728
  C       3.86623       -2.93538       -3.06887
  H       4.88284       -2.69047        2.79034
  H       3.73904       -4.01786        3.07684
  H       3.68705       -2.57049        4.11102
  H       4.89187       -2.68632       -2.77538
  H       3.69294       -2.59311       -4.09531
  H       3.75810       -4.02624       -3.04203
  H      -3.72340        4.02333       -3.08114
  H      -4.89140        2.72791       -2.74859
  H      -3.72229        2.55599       -4.08765
  H      -3.74025        2.51519        4.09228
  H      -4.88463        2.75793        2.74270
  H      -3.68951        4.01231        3.13262
  Nb      0.48320       -1.30713        0.00183
  H       1.38931        4.96096       -2.06915
  C       0.92790        4.43516       -1.22661
  H      -0.14879        4.68741       -1.24215
  P       1.11123        2.58372       -1.56706
  H       2.49222        6.54480       -0.88661
  H       0.99021        6.91320       -0.00028
  C       1.90137        6.29700       -0.00148
  N       1.60308        4.84322       -0.00113
  H       2.49461        6.54484        0.88204
  H      -0.14572        4.68695        1.24417
  C       0.93100        4.43496        1.22600
  H       1.39434        4.96087        2.06740
  H       3.45144        3.36179        1.21605
  P       1.11555        2.58350        1.56607
  C       2.96473        2.38529        1.26768
  C       1.06200        2.49544        3.41258
  H       1.83487        3.11740        3.87667
  H       0.08507        2.84744        3.75780
  H       1.18189        1.45742        3.73602
  H       0.07522        2.84754       -3.75631
  C       1.05298        2.49555       -3.41342
  H       1.17221        1.45752       -3.73710
  H       1.82471        3.11751       -3.87941
  H       3.38609        1.80801       -2.09812
  C       2.96114        2.38517       -1.27369
  H       3.44817        3.36159       -1.22365
  H       4.96564        0.64906       -0.90112
  N       3.30726        1.64148       -0.00346
  C       4.76289        1.23759       -0.00551
  H       4.96791        0.64815        0.88898
  H       5.37920        2.13823       -0.00583
  H       3.39222        1.80834        2.09096
  H      -1.83625       -3.11984        3.87465
  H      -1.18313       -1.45983        3.73577
  H      -0.08639       -2.85006        3.75747
  C      -1.06292       -2.49760        3.41168
  H      -3.39259       -1.81016        2.08930
  H      -1.39389       -4.96210        2.06526
  P      -1.11536       -2.58456        1.56508
  C      -2.96444       -2.38665        1.26603
  C      -0.93026       -4.43577        1.22430
  H       0.14642       -4.68778        1.24297
  H      -3.45085       -3.36326        1.21382
  H      -2.49267       -6.54611        0.87910
  N      -3.30656       -1.64235       -0.00495
  C      -1.89946       -6.29757       -0.00424
  N      -1.60186       -4.84365       -0.00327
  H      -0.98795       -6.91315       -0.00309
  C      -0.92637       -4.43503       -1.22844
  H      -2.48998       -6.54544       -0.88956
  C      -2.95987       -2.38546       -1.27536
  P      -1.10979       -2.58355       -1.56809
  H       0.15026       -4.68746       -1.24403
  H      -3.44667       -3.36203       -1.22593
  H      -1.38766       -4.96044       -2.07126
  H      -3.38479       -1.80807       -2.09966
  C      -1.05114       -2.49478       -3.41440
  H      -0.07351       -2.84695       -3.75734
  H      -1.82297       -3.11656       -3.88051
  H      -4.96747       -0.64934        0.88726
  C      -4.76216       -1.23858       -0.00733
  H      -4.96465       -0.64987       -0.90291
  H      -5.37847       -2.13924       -0.00807
  H      -1.17034       -1.45671       -3.73786
  H      -0.00056       -0.00015        1.28443
  H       0.00031        0.00006       -1.28114
  H      -2.71429       -0.78670       -0.00348
  H       2.71486        0.78593       -0.00259
     94
(2.H4)d
  H       1.57526       -1.07563       -2.13441
  H       1.19821       -0.39663       -2.16385
  Nb      0.80987       -0.95104       -0.17051
  N       2.35217       -1.60834        1.39603
  C       3.14059       -2.03379        2.13649
  C       4.13454       -2.56649        3.05847
  N      -2.39756        2.02307       -1.30386
  C      -3.21252        2.60987       -1.89108
  C      -4.23466        3.34377       -2.62517
  H      -5.23236        3.00893       -2.31839
  H      -4.12287        3.17858       -3.70281
  H      -4.14705        4.41671       -2.41824
  H       3.92374       -2.23145        4.08049
  H       5.13586       -2.22315        2.77342
  H       4.11967       -3.66229        3.03415
  Nb     -0.81896        1.04228        0.05456
  H      -2.03989       -4.46312       -1.95344
  C      -1.35001       -4.12235       -1.17379
  H      -0.38614       -4.63630       -1.34044
  P      -1.08766       -2.28941       -1.47035
  H      -3.31178       -5.81831       -0.60887
  H      -1.83571       -6.53986        0.08576
  C      -2.57025       -5.72764        0.18861
  N      -1.94617       -4.38547        0.12310
  H      -3.08738       -5.83732        1.14493
  H      -0.06438       -4.66139        1.13418
  C      -1.03954       -4.14799        1.23125
  H      -1.50745       -4.51423        2.15145
  H      -3.16241       -2.33639        1.52642
  P      -0.70807       -2.32001        1.50214
  C      -2.40691       -1.54314        1.45364
  C      -0.27454       -2.27775        3.29465
  H      -1.12571       -2.62591        3.88977
  H       0.56883       -2.94621        3.48840
  H      -0.00624       -1.26507        3.60422
  H      -0.20003       -2.75665       -3.69893
  C      -1.04949       -2.18616       -3.31132
  H      -0.95837       -1.14729       -3.63803
  H      -1.96825       -2.61181       -3.72887
  H      -3.02313       -0.86209       -1.81471
  C      -2.71826       -1.51673       -0.99448
  H      -3.46740       -2.31196       -0.88878
  H      -4.31515        0.48433       -0.42399
  N      -2.67130       -0.68817        0.25318
  C      -4.05412       -0.13233        0.43480
  H      -4.08809        0.47488        1.33838
  H      -4.78724       -0.94237        0.52454
  H      -2.49408       -0.90505        2.33731
  H       2.08865        2.63599        3.53316
  H       0.94430        1.26614        3.47847
  H       0.34294        2.93593        3.56367
  C       1.12278        2.29205        3.14788
  H       3.04047        0.95954        1.61232
  H       2.06337        4.57708        1.77000
  P       1.10160        2.39492        1.30656
  C       2.73434        1.62824        0.80540
  C       1.34049        4.23415        1.02178
  H       0.37900        4.73570        1.24537
  H       3.48952        2.41921        0.70755
  H       3.20899        6.00478        0.38340
  N       2.66223        0.82677       -0.45650
  C       2.43345        5.89582       -0.37870
  N       1.86258        4.53029       -0.30031
  H       1.67534        6.67869       -0.22979
  C       0.91355        4.27138       -1.36805
  H       2.89928        6.03544       -1.35722
  C       2.39664        1.74828       -1.60973
  P       0.65539        2.43034       -1.65227
  H      -0.07778        4.73686       -1.21075
  H       3.10210        2.58833       -1.58226
  H       1.31682        4.67674       -2.30210
  H       2.56953        1.19890       -2.53874
  C       0.19748        2.37047       -3.43837
  H      -0.68135        2.99665       -3.61421
  H       1.01915        2.75770       -4.05042
  H       4.29518       -0.40371        0.14295
  C       4.01865        0.23139       -0.69746
  H       3.99548       -0.37150       -1.60799
  H       4.77596        1.01567       -0.81420
  H      -0.03596        1.34994       -3.75195
  N      -1.99382        1.97192        1.81352
  C      -2.62345        2.52678        2.61922
  C      -3.41385        3.22011        3.62713
  H      -3.19865        4.29469        3.59827
  H      -3.17578        2.83723        4.62616
  H      -4.48304        3.07217        3.43613
  N       2.09350       -2.96993       -1.25193
  C       2.76635       -3.81013       -1.69329
  C       3.60668       -4.86404       -2.24857
  H       4.66233       -4.57802       -2.18377
  H       3.45701       -5.79744       -1.69469
  H       3.35210       -5.03249       -3.30092
  H      -0.37816        0.03693       -1.42298
  H       0.23727        0.03799        1.29918
     94
(2.H4)e
  Nb     -0.84506        1.17022        0.00389
  N      -2.52040        1.30654       -1.46023
  C      -3.42186        1.54804       -2.16200
  C      -4.51348        1.86977       -3.07681
  N      -2.51830        1.29983        1.47242
  C      -3.41831        1.53805        2.17710
  C      -4.50818        1.85534        3.09554
  N       2.18594       -0.92128        1.48156
  C       3.12023       -1.00235        2.17308
  C       4.26850       -1.12552        3.06529
  N       2.18787       -0.92291       -1.47982
  C       3.12275       -1.00491       -2.17048
  C       4.27150       -1.12941       -3.06189
  H       5.05434       -0.41254        2.79507
  H       4.68543       -2.13696        2.99993
  H       3.96574       -0.94416        4.10267
  H       5.04803       -0.40103       -2.80618
  H       3.96538       -0.97172       -4.10215
  H       4.70209       -2.13371       -2.97772
  H      -4.65513        2.95553       -3.12427
  H      -5.45387        1.41680       -2.74568
  H      -4.28245        1.50960       -4.08574
  H      -4.28606        1.46826        4.09648
  H      -5.45415        1.42456        2.75096
  H      -4.63333        2.94174        3.16819
  Nb      0.49655       -1.13294       -0.00002
  H       0.31295        4.98522       -2.10318
  C      -0.03787        4.35410       -1.28191
  H      -1.13096        4.38539       -1.27814
  P       0.58988        2.56819       -1.58234
  H       0.46603        6.96711       -0.90604
  H      -1.03894        6.58569       -0.01291
  C       0.04871        6.50271       -0.01138
  N       0.42264        5.02709       -0.00656
  H       0.46391        6.97248        0.88147
  H      -1.13563        4.39073        1.26205
  C      -0.04250        4.36135        1.27081
  H       0.30337        4.99815        2.08979
  H       2.70466        3.88595        1.34706
  P       0.58741        2.57879        1.58574
  C       2.43228        2.81128        1.24016
  C       0.58570        2.66407        3.44296
  H       1.24428        3.45001        3.82919
  H      -0.43226        2.83898        3.80482
  H       0.91696        1.69768        3.83477
  H      -0.42481        2.81356       -3.80549
  C       0.59238        2.64135       -3.44019
  H       0.92494        1.67258       -3.82496
  H       1.25153        3.42506       -3.82999
  H       2.94452        2.29791       -2.06160
  C       2.43443        2.80285       -1.23495
  H       2.70711        3.87677       -1.34846
  H       4.73799        1.62250       -0.87719
  N       2.91749        2.21330        0.00507
  C       4.38930        2.16397        0.00659
  H       4.73642        1.62929        0.89512
  H       4.85625        3.16280        0.00323
  H       2.94076        2.31196        2.07124
  H      -1.14892       -3.73855        3.81335
  H      -1.02337       -1.95755        3.82007
  H       0.44353       -2.94174        3.80672
  C      -0.58329       -2.88108        3.43098
  H      -2.96007       -2.70401        2.09280
  H      -0.07136       -5.17883        2.09129
  P      -0.54480       -2.77315        1.56687
  C      -2.39955       -3.15978        1.27236
  C       0.22516       -4.50132        1.28510
  H       1.31332       -4.39807        1.31417
  H      -2.65521       -4.22574        1.26652
  H       0.20855       -7.14980        0.88788
  N      -2.92946       -2.54438       -0.00090
  C       0.53127       -6.61405       -0.00620
  N      -0.10519       -5.22908       -0.00463
  H       1.61530       -6.49448       -0.00604
  C       0.22436       -4.49875       -1.29310
  H       0.20857       -7.14773       -0.90152
  C      -2.39992       -3.15674       -1.27578
  P      -0.54527       -2.76973       -1.57036
  H       1.31252       -4.39570       -1.32270
  H      -2.65561       -4.22269       -1.27242
  H      -0.07291       -5.17452       -2.10047
  H      -2.96070       -2.69902       -2.09495
  C      -0.58512       -2.87327       -3.43473
  H       0.44136       -2.93361       -3.81147
  H      -1.15156       -3.72943       -3.81882
  H      -4.76858       -1.96013        0.89403
  C      -4.43606       -2.48840       -0.00064
  H      -4.76879       -1.95817       -0.89407
  H      -4.83619       -3.50403       -0.00171
  H      -1.02499       -1.94844       -3.82103
  H      -1.30916       -0.65064       -0.00207
  H      -2.54060       -1.57101        0.00012
  H       1.44950        4.99498       -0.00460
  H      -1.11675       -5.39347       -0.00447
     96
2.H6
  Nb     -1.15549        0.58776       -0.00382
  N      -1.53420        2.29081        1.38322
  C      -1.77763        3.18578        2.08268
  C      -2.09839        4.29105        2.96939
  N      -1.56261        2.27229       -1.40588
  C      -1.82420        3.15978       -2.10845
  C      -2.16767        4.25638       -2.99734
  N       1.52794       -2.29273       -1.38394
  C       1.76689       -3.18954       -2.08272
  C       2.08231       -4.29652       -2.96915
  N       1.56041       -2.26456        1.40593
  C       1.82142       -3.14879        2.11281
  C       2.16274       -4.24170        3.00709
  H       1.49040       -5.18777       -2.70626
  H       3.15156       -4.55073       -2.88212
  H       1.87067       -4.02148       -4.01526
  H       1.75380       -5.19371        2.63318
  H       1.76008       -4.04929        4.01461
  H       3.25840       -4.33715        3.08052
  H      -3.18045        4.49831        2.93075
  H      -1.55841        5.20269        2.66784
  H      -1.82623        4.03978        4.00734
  H      -1.86208        4.02118       -4.02970
  H      -1.67051        5.18657       -2.67929
  H      -3.25759        4.42109       -2.98315
  Nb      1.15488       -0.58447       -0.00163
  H      -5.33235        0.12877        2.06734
  C      -4.68922        0.39482        1.21482
  H      -4.57025        1.49916        1.22863
  P      -3.00738       -0.35837        1.54623
  H      -7.15858       -0.52018        0.89115
  H      -7.11485        1.02191       -0.01622
  C      -6.75625       -0.02430       -0.00324
  N      -5.28584       -0.11767       -0.00044
  H      -7.15656       -0.54161       -0.88629
  H      -4.56899        1.46936       -1.26694
  C      -4.68656        0.36557       -1.22627
  H      -5.32701        0.07781       -2.07372
  H      -4.48011       -2.35728       -1.19294
  P      -3.00325       -0.39383       -1.53485
  C      -3.39309       -2.20458       -1.23521
  C      -2.82546       -0.33962       -3.35829
  H      -3.65585       -0.85139       -3.86806
  H      -2.81034        0.71258       -3.67604
  H      -1.86787       -0.79790       -3.64321
  H      -2.82993        0.79597        3.66370
  C      -2.83725       -0.26294        3.36883
  H      -1.87872       -0.70983        3.66843
  H      -3.66737       -0.76781        3.88595
  H      -2.98254       -2.74662        2.12816
  C      -3.39665       -2.17536        1.28673
  H      -4.48357       -2.32874        1.24471
  H      -2.31866       -4.60147        0.95520
  N      -2.79781       -2.74536        0.03302
  C      -2.82642       -4.24517        0.05063
  H      -2.31749       -4.62254       -0.84467
  H      -3.87055       -4.58397        0.05387
  H      -2.97636       -2.79485       -2.06209
  H       3.70419        0.73613       -3.88224
  H       1.91338        0.68129       -3.68305
  H       2.86354       -0.82513       -3.65639
  C       2.86828        0.23604       -3.36981
  H       3.00862        2.72917       -2.14710
  H       5.34748       -0.15738       -2.04363
  P       3.02061        0.34574       -1.54634
  C       3.41354        2.16318       -1.29764
  C       4.69667       -0.41143       -1.19332
  H       4.57240       -1.51529       -1.19654
  H       4.50056        2.31348       -1.24727
  H       7.16696        0.49857       -0.86150
  N       2.80570        2.74466       -0.05357
  C       6.75685        0.01276        0.03482
  N       5.28681        0.11071        0.02102
  H       7.11196       -1.03439        0.06063
  C       4.67795       -0.35925        1.24733
  H       7.15265        0.53747        0.91560
  C       3.38936        2.21270        1.22383
  P       2.99350        0.40504        1.53438
  H       4.55905       -1.46248        1.29853
  H       4.47698        2.36313        1.18939
  H       5.31237       -0.06326        2.09652
  H       2.96691        2.81033        2.04245
  C       2.79774        0.36624        3.35630
  H       2.77270       -0.68324        3.68224
  H       3.62588        0.87733        3.87047
  H       2.33973        4.59445       -0.99507
  C       2.83838        4.24425       -0.08304
  H       2.32249        4.63028        0.80454
  H       3.88342        4.58022       -0.07981
  H       1.84000        0.83250        3.62756
  H      -0.00389       -0.00804       -1.44884
  H       0.00343        0.01165        1.44214
  H      -0.68590       -1.27334        0.01418
  H       0.68638        1.27732       -0.02106
  H       1.81138        2.41634       -0.05565
  H      -1.80429       -2.41448        0.03040
     96
(2.H6)b
  Nb     -0.95024        1.27873        0.02938
  N      -2.49403        2.05694       -1.44615
  C      -3.36392        2.40675       -2.13074
  C      -4.45855        2.84063       -2.98822
  N      -2.42044        2.07204        1.57370
  C      -3.26110        2.42104        2.29443
  C      -4.31684        2.85645        3.19904
  N       1.96679       -1.38971        1.44655
  C       2.90847       -1.43719        2.12426
  C       4.08897       -1.50086        2.97759
  N       1.99448       -1.29935       -1.42511
  C       2.95601       -1.30592       -2.07555
  C       4.16303       -1.32033       -2.89172
  H       4.82919       -0.76401        2.64759
  H       4.54105       -2.49811        2.92800
  H       3.81667       -1.28790        4.01756
  H       4.85238       -0.53898       -2.55359
  H       3.91279       -1.14127       -3.94328
  H       4.66522       -2.29064       -2.80797
  H      -4.46550        3.93311       -3.07509
  H      -5.41593        2.51104       -2.56992
  H      -4.34141        2.40931       -3.98894
  H      -4.12809        2.46914        4.20692
  H      -5.28721        2.48443        2.85277
  H      -4.35063        3.95077        3.24257
  Nb      0.21608       -1.13314       -0.00666
  H       0.01098        5.42421       -2.05138
  C      -0.30896        4.81236       -1.20119
  H      -1.41463        4.78979       -1.21233
  P       0.32678        3.07217       -1.53180
  H       0.66982        7.25079       -0.87934
  H      -0.85604        7.22871        0.04474
  C       0.18072        6.85962        0.01610
  N       0.25550        5.38261        0.00984
  H       0.71584        7.24452        0.88763
  H      -1.35052        4.78946        1.31480
  C      -0.24715        4.80713        1.24523
  H       0.12033        5.41280        2.08064
  H       2.46348        4.31676        1.23082
  P       0.40285        3.06357        1.53009
  C       2.23660        3.23818        1.17733
  C       0.34310        2.86935        3.36332
  H       0.97851        3.62139        3.84330
  H      -0.67887        2.99299        3.72893
  H       0.69312        1.87182        3.64258
  H      -0.86688        3.01812       -3.67384
  C       0.17355        2.89831       -3.36232
  H       0.51761        1.90760       -3.67304
  H       0.77736        3.66219       -3.86429
  H       2.64362        2.74205       -2.13099
  C       2.17632        3.23759       -1.27387
  H       2.40630        4.31463       -1.34471
  H       4.51042        2.07059       -0.98983
  N       2.69708        2.61559       -0.05990
  C       4.17306        2.60321       -0.09566
  H       4.55441        2.07851        0.78528
  H       4.61269        3.61265       -0.11164
  H       2.75124        2.74858        2.01054
  H      -0.79348       -4.00561        3.84376
  H      -1.12925       -2.26158        3.62697
  H       0.54341       -2.84359        3.71385
  C      -0.46129       -3.08386        3.35486
  H      -2.78985       -3.75651        1.99772
  H       0.52157       -5.45570        2.09049
  P      -0.42109       -3.28009        1.52169
  C      -2.10907       -4.05450        1.19636
  C       0.68996       -4.77560        1.24842
  H       1.73948       -4.43642        1.30584
  H      -2.01781       -5.14297        1.18637
  H       0.45818       -7.39466        0.91319
  N      -2.76822       -3.64574       -0.10022
  C       0.86813       -6.87984        0.04053
  N       0.36875       -5.48305        0.01534
  H       1.96579       -6.93205        0.07983
  C       0.77619       -4.78915       -1.20022
  H       0.52289       -7.40320       -0.85440
  C      -2.02220       -4.07321       -1.34341
  P      -0.31694       -3.30077       -1.56815
  H       1.82610       -4.44561       -1.18586
  H      -1.93535       -5.16189       -1.31264
  H       0.67282       -5.48060       -2.04305
  H      -2.64711       -3.78584       -2.19270
  C      -0.24572       -3.13975       -3.40539
  H       0.77854       -2.91007       -3.71119
  H      -0.55221       -4.07060       -3.89433
  H      -4.73568       -3.73363        0.72592
  C      -4.20816       -4.12159       -0.14686
  H      -4.67146       -3.74861       -1.06124
  H      -4.21718       -5.21271       -0.13884
  H      -0.89472       -2.32280       -3.73441
  H      -0.49515       -0.07123        1.41466
  H      -0.49623       -0.03536       -1.39985
  H       0.85466        0.67837        0.02667
  H      -1.51199       -1.46024       -0.05761
  H      -2.75954       -2.61138       -0.10736
  H      -2.42323        0.32237        0.07260
     96
(2.H6)c
  Nb     -0.73696        1.17087        0.34181
  N      -2.89810        1.51877       -0.26361
  C      -4.01971        1.79721       -0.42601
  C      -5.41797        2.15814       -0.63971
  N      -1.68521        1.74445        2.28913
  C      -2.22877        1.97057        3.29398
  C      -2.88969        2.25255        4.56396
  N       1.52590       -1.69208        2.39894
  C       2.09476       -1.81840        3.40521
  C       2.79728       -1.97670        4.67429
  N       2.71423       -1.44681       -0.12752
  C       3.86073       -1.49857       -0.31544
  C       5.29807       -1.56877       -0.55857
  H       3.39476       -1.08465        4.89044
  H       3.46984       -2.84010        4.62723
  H       2.08490       -2.13083        5.49192
  H       5.83214       -0.87790        0.10244
  H       5.52474       -1.31200       -1.59892
  H       5.66319       -2.58304       -0.36307
  H      -5.59636        3.17418       -0.26944
  H      -6.08091        1.47922       -0.09235
  H      -5.67477        2.12827       -1.70435
  H      -2.17543        2.18710        5.39211
  H      -3.70311        1.54064        4.74044
  H      -3.31312        3.26301        4.54938
  Nb      0.50496       -1.24695        0.41008
  H      -0.69092        4.92714       -2.49655
  C      -0.69100        4.43202       -1.52114
  H      -1.70225        4.48501       -1.10925
  P      -0.17240        2.61115       -1.73315
  H      -0.19416        7.07269       -1.70954
  H      -1.22791        6.82215       -0.26773
  C      -0.21893        6.73362       -0.67256
  N       0.19416        5.27170       -0.62516
  H       0.48252        7.31451       -0.07156
  H      -0.69161        4.88804        1.25098
  C       0.30152        4.78533        0.80475
  H       0.97865        5.47988        1.31077
  H       2.84895        4.16196       -0.04198
  P       0.91935        2.99264        1.01636
  C       2.55106        3.09431        0.06493
  C       1.51336        3.16670        2.76002
  H       2.29075        3.93215        2.85662
  H       0.67735        3.41986        3.41830
  H       1.91614        2.20031        3.07539
  H      -2.01623        2.47160       -3.34859
  C      -0.93052        2.34680       -3.40470
  H      -0.72070        1.31977       -3.71793
  H      -0.52855        3.03395       -4.15717
  H       1.79403        2.20431       -3.09771
  C       1.64836        2.82091       -2.20430
  H       1.83642        3.86645       -2.54103
  H       3.94922        1.62543       -2.60414
  N       2.57637        2.36163       -1.18821
  C       3.94410        2.27245       -1.72201
  H       4.60068        1.83565       -0.96383
  H       4.36072        3.25172       -2.01119
  H       3.29953        2.64947        0.72906
  H      -2.33886       -4.21156        2.95943
  H      -2.05900       -2.46154        3.20244
  H      -0.77061       -3.61893        3.56279
  C      -1.60259       -3.40374        2.88520
  H      -3.37712       -2.88879        0.82764
  H      -0.93282       -5.67271        1.44864
  P      -0.94494       -3.16983        1.16666
  C      -2.58728       -3.29793        0.19271
  C      -0.27809       -4.94749        0.95579
  H       0.70195       -4.99127        1.43921
  H      -2.88834       -4.31049       -0.09531
  H      -0.20918       -7.50249        0.15707
  N      -2.53794       -2.44526       -1.04832
  C       0.45468       -6.88053       -0.44572
  N      -0.08903       -5.45697       -0.46030
  H       1.45497       -6.86185       -0.01134
  C       0.74295       -4.58337       -1.37866
  H       0.49215       -7.25246       -1.47102
  C      -1.62195       -2.98045       -2.11880
  P       0.21095       -2.76420       -1.59338
  H       1.76033       -4.58445       -0.97794
  H      -1.93571       -4.00106       -2.36240
  H       0.75641       -5.09554       -2.34543
  H      -1.78380       -2.36907       -3.01032
  C       0.96150       -2.51960       -3.27342
  H       2.04805       -2.63050       -3.19943
  H       0.58202       -3.22111       -4.02470
  H      -4.50263       -1.69107       -0.77988
  C      -3.91218       -2.13946       -1.58018
  H      -3.81664       -1.44344       -2.41516
  H      -4.38637       -3.06254       -1.91822
  H       0.75277       -1.49470       -3.59398
  H       0.94888        0.57074        1.02234
  H      -0.14163       -0.12420       -1.02983
  H      -1.21679       -0.64253        1.04232
  H      -2.06919       -1.55521       -0.72324
  H       1.14094        5.23252       -1.02263
  H      -1.02213       -5.52489       -0.87876
     96
(2.H6)d
  Nb     -0.48618        1.16826       -0.45581
  N      -2.18727        1.48002       -1.93538
  C      -3.07929        1.55529       -2.67466
  C      -4.19307        1.66041       -3.60435
  N      -2.19177        1.48192        0.96792
  C      -3.16576        1.64136        1.58023
  C      -4.38534        1.85236        2.34665
  N       2.41274       -1.49584        1.19245
  C       3.34942       -1.65117        1.86219
  C       4.52199       -1.85775        2.69930
  N       2.47087       -1.85434       -1.56231
  C       3.39136       -2.06951       -2.23674
  C       4.53930       -2.34670       -3.08634
  H       5.36973       -1.28559        2.30517
  H       4.78878       -2.92123        2.71078
  H       4.31910       -1.53298        3.72614
  H       5.36740       -1.67721       -2.82624
  H       4.27438       -2.19486       -4.13888
  H       4.86693       -3.38364       -2.94606
  H      -4.67788        2.63830       -3.50104
  H      -4.92945        0.87520       -3.39919
  H      -3.83170        1.54985       -4.63346
  H      -4.21885        1.59634        3.39936
  H      -5.19235        1.22508        1.95130
  H      -4.69093        2.90340        2.28450
  Nb      0.67595       -1.26912       -0.30047
  H      -0.56227        5.95017       -1.11215
  C      -0.68394        5.06075       -0.48436
  H      -1.76682        4.83532       -0.44411
  P       0.19053        3.66591       -1.38808
  H      -0.05565        7.41471        0.56640
  H      -1.44180        6.83160        1.52590
  C      -0.37320        6.68052        1.31079
  N      -0.08067        5.32045        0.80784
  H       0.20068        6.85787        2.22379
  H      -1.40891        4.05693        1.93339
  C      -0.33756        4.29412        1.79630
  H       0.04115        4.64185        2.76388
  H       2.41575        4.30558        1.46329
  P       0.59368        2.70062        1.43740
  C       2.34166        3.27918        1.06376
  C       0.71557        1.93626        3.11002
  H       1.23922        2.61447        3.79249
  H      -0.28345        1.74407        3.51162
  H       1.26099        0.99154        3.05035
  H      -1.26868        4.04936       -3.32260
  C      -0.18784        4.03027       -3.15878
  H       0.26084        3.28365       -3.82073
  H       0.21761        5.01423       -3.41902
  H       2.44046        3.97516       -2.22332
  C       2.01257        4.07040       -1.22007
  H       2.08113        5.13070       -0.92219
  H       4.46268        3.15467       -1.53555
  N       2.73210        3.16538       -0.33218
  C       4.19331        3.32534       -0.48992
  H       4.70551        2.57885        0.12379
  H       4.55087        4.32362       -0.19575
  H       3.00291        2.63922        1.65678
  H      -0.99105       -2.79863        3.93574
  H      -0.89836       -1.13088        3.31388
  H       0.58968       -2.05832        3.60979
  C      -0.44609       -2.12457        3.26571
  H      -2.88088       -2.54767        1.96653
  H      -0.01930       -4.86558        2.65672
  P      -0.51049       -2.77120        1.53977
  C      -2.32099       -3.16795        1.25915
  C       0.30109       -4.46299        1.68940
  H       1.39792       -4.32616        1.73896
  H      -2.45718       -4.22292        1.55399
  H      -0.47254       -6.98801        1.94702
  N      -2.80061       -2.86901       -0.08379
  C       0.03865       -6.78703        1.00229
  N      -0.14028       -5.36243        0.64423
  H       1.09802       -7.06706        1.10294
  C       0.38253       -5.04732       -0.67053
  H      -0.41997       -7.41139        0.23173
  C      -2.21844       -3.71271       -1.12101
  P      -0.37814       -3.47702       -1.37579
  H       1.48494       -4.95520       -0.70912
  H      -2.37489       -4.79209       -0.95022
  H       0.10300       -5.85173       -1.35998
  H      -2.69050       -3.45395       -2.07420
  C      -0.14623       -3.68977       -3.18959
  H       0.91720       -3.76552       -3.43212
  H      -0.64541       -4.60611       -3.52302
  H      -4.69683       -2.24622        0.59848
  C      -4.27586       -2.94101       -0.13400
  H      -4.61773       -2.64365       -1.12916
  H      -4.66547       -3.94797        0.08016
  H      -0.56878       -2.83508       -3.72428
  H       0.04631        0.02719        0.96179
  H       0.29639        0.56033       -2.27288
  H       1.31547        0.88279       -0.41274
  H       0.28152       -1.16140       -2.00132
  H      -1.12597       -0.71847       -0.48478
  H       0.30628        1.34513       -2.34177
     96
(2.H6)e
  Nb     -0.78457        1.15353        0.00020
  N      -2.43380        1.12665       -1.53010
  C      -3.34197        1.19779       -2.24898
  C      -4.48068        1.30676       -3.14882
  N      -2.43380        1.12830        1.53053
  C      -3.34138        1.20180        2.24991
  C      -4.47921        1.31419        3.15043
  N       2.43310       -1.12677        1.53123
  C       3.34108       -1.19764        2.25042
  C       4.47947       -1.30676        3.15085
  N       2.43398       -1.12598       -1.52927
  C       3.34285       -1.19550       -2.24750
  C       4.48246       -1.30274       -3.14660
  H       5.25081       -0.57958        2.87274
  H       4.90699       -2.31439        3.08989
  H       4.16597       -1.11372        4.18317
  H       5.24259       -0.55898       -2.88196
  H       4.16547       -1.13271       -4.18190
  H       4.92541       -2.30249       -3.06845
  H      -4.88662        2.32452       -3.11372
  H      -5.26631        0.60425       -2.84838
  H      -4.17520        1.07926       -4.17649
  H      -4.18753        1.03120        4.16823
  H      -5.28915        0.65550        2.81690
  H      -4.84696        2.34694        3.15800
  Nb      0.78428       -1.15389        0.00047
  H       0.03732        5.35976       -2.06711
  C      -0.31023        4.75535       -1.22196
  H      -1.41401        4.71788       -1.26909
  P       0.34204        3.02159       -1.51831
  H       0.65183        7.20147       -0.88481
  H      -0.89752        7.18403       -0.00091
  C       0.13849        6.81496       -0.00091
  N       0.21565        5.33610       -0.00063
  H       0.65198        7.20183        0.88275
  H      -1.41379        4.71836        1.26833
  C      -0.31002        4.75581        1.22102
  H       0.03767        5.36054        2.06589
  H       2.39532        4.29235        1.28953
  P       0.34235        3.02218        1.51786
  C       2.19063        3.21100        1.22784
  C       0.17071        2.79952        3.33875
  H       0.76466        3.55862        3.85968
  H      -0.87564        2.91876        3.63350
  H       0.51288        1.80523        3.63722
  H      -0.87670        2.91767       -3.63340
  C       0.16976        2.79830       -3.33906
  H       0.51165        1.80386       -3.63731
  H       0.76364        3.55712       -3.86049
  H       2.68801        2.72369       -2.07356
  C       2.19041        3.21043       -1.22883
  H       2.39518        4.29172       -1.29111
  H       4.50310        2.00698       -0.88844
  N       2.68584        2.60011       -0.00040
  C       4.16134        2.54644       -0.00050
  H       4.50328        2.00755        0.88771
  H       4.62815        3.54253       -0.00089
  H       2.68848        2.72472        2.07268
  H      -0.76470       -3.56012        3.85946
  H      -0.51066       -1.80697        3.63757
  H       0.87642       -2.92243        3.63329
  C      -0.16982       -2.80160        3.33874
  H      -2.68799       -2.72727        2.07228
  H      -0.03551       -5.36194        2.06566
  P      -0.34159       -3.02371        1.51778
  C      -2.18978       -3.21327        1.22750
  C       0.31177       -4.75704        1.22075
  H       1.41554       -4.71896        1.26799
  H      -2.39404       -4.29470        1.28909
  H      -0.64986       -7.20337        0.88224
  N      -2.68506       -2.60252       -0.00078
  C      -0.13626       -6.81637       -0.00131
  N      -0.21357       -5.33748       -0.00091
  H       0.89979       -7.18535       -0.00116
  C       0.31245       -4.75634       -1.22195
  H      -0.64942       -7.20287       -0.88532
  C      -2.18912       -3.21253       -1.22915
  P      -0.34077       -3.02286       -1.51831
  H       1.41625       -4.71821       -1.26856
  H      -2.39342       -4.29391       -1.29155
  H      -0.03433       -5.36078       -2.06739
  H      -2.68682       -2.72596       -2.07391
  C      -0.16794       -2.79959       -3.33902
  H       0.87849       -2.92018       -3.63299
  H      -0.76248       -3.55778       -3.86060
  H      -4.50321       -2.01181        0.88716
  C      -4.16064       -2.55010       -0.00113
  H      -4.50272       -2.01094       -0.88911
  H      -4.62637       -3.54669       -0.00180
  H      -0.50863       -1.80477       -3.63738
  H      -0.00072       -0.00024        1.39787
  H      -0.00010       -0.00028       -1.39711
  H       1.06844        0.90133        0.00050
  H      -1.06903       -0.90211        0.00014
  H       1.61839       -2.68769        0.00035
  H      -1.61774        2.68751       -0.00028
     96
(2.H6)f
  Nb     -0.72332        1.11857       -0.15138
  N      -2.30663        0.78706       -1.73620
  C      -3.15453        0.84316       -2.53644
  C      -4.17189        0.95432       -3.57906
  N      -2.60683        1.74979        0.98588
  C      -3.58798        2.07562        1.52528
  C      -4.79949        2.49392        2.22532
  N       2.30635       -0.78781        1.73645
  C       3.15398       -0.84326        2.53697
  C       4.17067       -0.95465        3.58000
  N       2.60666       -1.74930       -0.98600
  C       3.58821       -2.07572       -1.52425
  C       4.79983       -2.49466       -2.22338
  H       4.84774       -0.09389        3.56745
  H       4.76839       -1.85926        3.42112
  H       3.70168       -1.01676        4.56864
  H       5.64728       -1.85660       -1.95105
  H       4.65155       -2.43967       -3.30777
  H       5.05155       -3.52755       -1.95821
  H      -4.75692        1.86911       -3.43172
  H      -4.86058        0.10317       -3.55336
  H      -3.70430        0.99679       -4.56944
  H      -4.65416        2.42905        3.30947
  H      -5.64921        1.86217        1.94550
  H      -5.04577        3.53022        1.96868
  Nb      0.72292       -1.11861        0.15134
  H       0.02963        5.54965       -1.71671
  C      -0.30621        4.80270       -0.99106
  H      -1.39609        4.86266       -0.92367
  P       0.15429        3.04587       -1.57933
  H       0.08925        7.32075       -0.18730
  H      -1.29025        6.68836        0.76248
  C      -0.20592        6.68079        0.64586
  N       0.23543        5.25428        0.35027
  H       0.27655        7.01408        1.56601
  H      -1.15616        4.33406        1.63692
  C      -0.06887        4.34679        1.52706
  H       0.35805        4.84594        2.40166
  H       2.75343        3.84908        1.02031
  P       0.53839        2.53147        1.44466
  C       2.38199        2.81955        0.95937
  C       0.78669        2.32869        3.28063
  H       1.49873        3.04129        3.71236
  H      -0.17982        2.44590        3.78202
  H       1.13154        1.30759        3.46361
  H      -1.12868        3.64664       -3.58527
  C      -0.07917        3.39824       -3.39561
  H       0.15675        2.48715       -3.95452
  H       0.54666        4.21829       -3.76550
  H       2.42585        2.73559       -2.47379
  C       2.05852        3.14751       -1.53039
  H       2.46139        4.16240       -1.44037
  H       4.20374        1.56578       -1.66021
  N       2.63853        2.30053       -0.43061
  C       4.09232        2.00491       -0.66745
  H       4.43072        1.29961        0.09250
  H       4.67068        2.92877       -0.60487
  H       2.99096        2.21565        1.63519
  H      -0.54645       -4.21962        3.76465
  H      -0.15769       -2.48830        3.95474
  H       1.12849       -3.64658        3.58480
  C       0.07875       -3.39887        3.39524
  H      -2.42654       -2.73655        2.47326
  H      -0.02944       -5.54988        1.71571
  P      -0.15481       -3.04593        1.57900
  C      -2.05888       -3.14802        1.52982
  C       0.30621       -4.80259        0.99026
  H       1.39620       -4.86171        0.92307
  H      -2.46128       -4.16308        1.43947
  H      -0.08796       -7.32059        0.18576
  N      -2.63886       -2.30082        0.43021
  C       0.20683       -6.68029       -0.64728
  N      -0.23500       -5.25410       -0.35129
  H       1.29117       -6.68731       -0.76406
  C       0.06946       -4.34641       -1.52771
  H      -0.27563       -7.01360       -1.56746
  C      -2.38218       -2.81974       -0.95987
  P      -0.53831       -2.53137       -1.44494
  H       1.15681       -4.33359       -1.63716
  H      -2.75399       -3.84916       -1.02064
  H      -0.35700       -4.84544       -2.40261
  H      -2.99092       -2.21574       -1.63584
  C      -0.78630       -2.32819       -3.28088
  H       0.18032       -2.44450       -3.78232
  H      -1.49783       -3.04111       -3.71285
  H      -4.20411       -1.56666        1.65997
  C      -4.09267       -2.00548        0.66711
  H      -4.43135       -1.30004       -0.09257
  H      -4.67081       -2.92945        0.60428
  H      -1.13189       -1.30728       -3.46336
  H       0.76635        0.39013       -1.14654
  H      -0.76649       -0.38994        1.14677
  H      -2.07316       -1.39807        0.48020
  H       2.07278        1.39778       -0.48032
  H       1.25563        5.29480        0.26172
  H      -1.25522       -5.29484       -0.26303
     98
2.H8
  Nb     -1.33133        0.52255        0.31307
  N      -1.54225        2.31209        1.64001
  C      -1.68115        3.21579        2.35285
  C      -1.87302        4.33608        3.25606
  N      -1.88515        2.07867       -1.18204
  C      -2.19419        2.94876       -1.88586
  C      -2.58751        4.03185       -2.76951
  N       1.85206       -2.00484       -1.18317
  C       2.18352       -2.83028       -1.92954
  C       2.60684       -3.85254       -2.87048
  N       1.32464       -2.20662        1.66328
  C       1.40572       -3.09721        2.40152
  C       1.53556       -4.18915        3.35088
  H       2.15887       -4.82624       -2.61524
  H       3.70437       -3.95287       -2.84526
  H       2.30521       -3.57432       -3.89329
  H       1.20333       -5.13981        2.90572
  H       0.93840       -3.98044        4.25275
  H       2.59048       -4.29347        3.65226
  H      -2.94414        4.45525        3.48681
  H      -1.50267        5.26870        2.80195
  H      -1.33141        4.15328        4.19810
  H      -2.49189        3.71609       -3.82110
  H      -1.95373        4.91765       -2.60325
  H      -3.63769        4.30828       -2.58024
  Nb      1.27109       -0.43180        0.30167
  H      -6.10830        0.65283        0.35166
  C      -5.15048        0.64107       -0.19018
  H      -4.95678        1.68125       -0.52973
  P      -3.82832        0.20289        1.05771
  H      -7.34009       -0.46449       -1.20187
  H      -6.73329        0.62436       -2.48599
  C      -6.54084       -0.31967       -1.94201
  N      -5.23380       -0.32470       -1.26482
  H      -6.58783       -1.15137       -2.65888
  H      -3.90274        0.70897       -2.60443
  C      -4.12131       -0.29645       -2.18871
  H      -4.35174       -0.95291       -3.04161
  H      -4.20824       -2.77689       -1.05282
  P      -2.54847       -0.95324       -1.42617
  C      -3.19076       -2.56386       -0.69943
  C      -1.58756       -1.52661       -2.87546
  H      -2.15592       -2.24682       -3.48297
  H      -1.34324       -0.65022       -3.49355
  H      -0.64952       -1.97515       -2.52342
  H      -4.51259        2.09096        2.40650
  C      -4.43729        1.00911        2.58850
  H      -3.73397        0.83550        3.41492
  H      -5.43427        0.63369        2.86440
  H      -4.27531       -1.77281        2.44980
  C      -4.24465       -1.60241        1.36524
  H      -5.21609       -1.86349        0.92473
  H      -3.24046       -3.82479        2.48437
  N      -3.20752       -2.52846        0.79925
  C      -3.30720       -3.90193        1.39194
  H      -2.48750       -4.51770        1.00166
  H      -4.27095       -4.34555        1.11044
  H      -2.51729       -3.37807       -0.99761
  H       2.19608        2.97536       -2.87972
  H       0.71179        2.62851       -1.91206
  H       1.22308        1.50481       -3.20068
  C       1.58055        2.18901       -2.41766
  H       2.74405        3.47347       -0.24790
  H       4.21399        1.40163       -2.94448
  P       2.54257        1.21724       -1.19943
  C       3.37590        2.57695       -0.19870
  C       3.99093        0.60832       -2.21534
  H       3.64285       -0.27340       -2.79456
  H       4.37411        2.81035       -0.59342
  H       6.47792        1.37274       -2.74287
  N       3.51095        2.21187        1.24878
  C       6.41712        0.41334       -2.21042
  N       5.17551        0.36353       -1.42202
  H       6.48168       -0.40489       -2.95262
  C       5.10011       -0.79631       -0.56197
  H       7.28383        0.34337       -1.53842
  C       4.50537        1.11951        1.49637
  P       3.91077       -0.53311        0.85135
  H       4.80719       -1.73179       -1.08487
  H       5.45798        1.39917        1.02706
  H       6.09076       -0.97670       -0.11743
  H       4.63979        1.04037        2.58330
  C       4.50266       -1.70147        2.13153
  H       4.38935       -2.72866        1.75547
  H       5.56450       -1.52696        2.36201
  H       2.99233        4.15296        1.93851
  C       3.78103        3.40983        2.10775
  H       3.78800        3.09959        3.16013
  H       4.75639        3.83545        1.83811
  H       3.90333       -1.58248        3.04452
  H       0.03999        0.12627       -1.02469
  H      -0.45040       -0.13809        1.86472
  H      -0.57660       -1.21195        0.25210
  H       1.72320        0.37866        1.84911
  H       0.51420        1.27689        0.40652
  H      -1.35919       -0.25318        2.02703
  H      -2.28764       -2.09509        1.05547
  H       2.58845        1.77506        1.51931
     98
(2.H8)b
  Nb     -0.93147        1.01935       -0.25065
  N      -1.96052        1.14689       -2.28438
  C      -2.56848        1.22647       -3.26966
  C      -3.33679        1.32354       -4.50522
  N      -2.75280        2.30670        0.40247
  C      -3.77562        2.79237        0.65795
  C      -5.06028        3.39501        0.99085
  N       2.90331       -2.34181        0.45501
  C       3.92390       -2.82402        0.72549
  C       5.20559       -3.42283        1.07648
  N       2.13178       -1.21758       -2.25233
  C       2.74974       -1.31109       -3.23013
  C       3.53065       -1.42590       -4.45619
  H       5.92823       -3.26546        0.26847
  H       5.08968       -4.49984        1.23944
  H       5.59368       -2.96705        1.99398
  H       4.38193       -0.73726       -4.42539
  H       2.91061       -1.18598       -5.32660
  H       3.91220       -2.44700       -4.56645
  H      -3.66735        2.35585       -4.66453
  H      -4.22099        0.67925       -4.44940
  H      -2.72470        1.01441       -5.35930
  H      -5.35296        3.11734        2.00939
  H      -5.82965        3.04602        0.29349
  H      -4.99674        4.48663        0.92581
  Nb      1.08693       -1.06250       -0.22886
  H      -0.11592        5.81048       -0.98412
  C      -0.45764        4.97561       -0.36308
  H      -1.56148        4.97519       -0.39582
  P       0.14711        3.39986       -1.18454
  H       0.50424        7.19186        0.71494
  H      -1.03386        6.87918        1.55903
  C       0.00555        6.54039        1.43690
  N       0.09527        5.13523        0.97328
  H       0.52166        6.63856        2.39509
  H      -1.54619        4.16676        1.97335
  C      -0.44525        4.20623        1.95718
  H      -0.11990        4.53572        2.94891
  H       2.23069        3.87437        1.85708
  P       0.21207        2.44314        1.75920
  C       2.04343        2.83927        1.56167
  C       0.19127        1.85846        3.50489
  H       0.67836        2.58351        4.16498
  H      -0.84571        1.73080        3.82956
  H       0.70895        0.90117        3.57645
  H      -0.99174        4.02556       -3.24184
  C       0.04802        3.80528       -2.98225
  H       0.38641        2.95722       -3.58368
  H       0.65322        4.68616       -3.22069
  H       2.51695        3.30438       -1.81956
  C       2.00206        3.54941       -0.88732
  H       2.23742        4.58031       -0.61033
  H       4.49724        2.63868       -0.80638
  N       2.60270        2.65703        0.17330
  C       4.10687        2.82775        0.19454
  H       4.52805        2.11071        0.90023
  H       4.34551        3.84654        0.50440
  H       2.60900        2.16387        2.20691
  H      -0.55211       -2.56409        4.19652
  H      -0.58130       -0.89061        3.58297
  H       0.97276       -1.71419        3.85771
  C      -0.06201       -1.84813        3.52879
  H      -2.47116       -2.17138        2.21805
  H       0.24914       -4.53377        3.01303
  P      -0.07124       -2.45779        1.79157
  C      -1.90116       -2.85602        1.58656
  C       0.58245       -4.21861        2.01932
  H       1.68331       -4.18047        2.04335
  H      -2.09077       -3.88672        1.89535
  H      -0.39774       -6.64156        2.48290
  N      -2.45070       -2.69344        0.19192
  C       0.12752       -6.55880        1.52819
  N       0.04764       -5.15996        1.04426
  H       1.16430       -6.90009        1.66447
  C       0.61195       -5.01996       -0.28949
  H      -0.36747       -7.21826        0.81094
  C      -1.84243       -3.59956       -0.85277
  P       0.01492       -3.45523       -1.13754
  H       1.71597       -5.02039       -0.31279
  H      -2.08083       -4.62671       -0.56472
  H       0.27494       -5.86324       -0.90165
  H      -2.34999       -3.36580       -1.79196
  C       0.12888       -3.88497       -2.92866
  H       1.17050       -4.11024       -3.17599
  H      -0.47546       -4.76811       -3.16074
  H      -4.38092       -2.13882        0.89913
  C      -3.95491       -2.86478        0.20552
  H      -4.33905       -2.68897       -0.80028
  H      -4.19504       -3.87958        0.52720
  H      -0.20269       -3.04470       -3.54449
  H      -1.32173        0.33155        1.32662
  H       0.79748        0.66036       -0.90804
  H       1.46478       -0.35255        1.34145
  H      -0.63689       -0.71212       -0.90460
  H      -2.26628       -1.70209       -0.07783
  H      -2.36378       -0.03768       -0.21020
  H       2.41938        1.66229       -0.08428
  H       2.51937       -0.00560       -0.19186
     98
(2.H8)c
  Nb      0.01190        0.91972        0.00213
  N      -1.81429        1.23240       -1.41178
  C      -2.71944        1.42219       -2.11543
  C      -3.84253        1.67068       -3.01559
  N      -1.81795        1.23078        1.41161
  C      -2.72603        1.41978        2.11170
  C      -3.85318        1.66712        3.00711
  N       2.52691       -2.07398        1.44847
  C       3.45072       -2.27489        2.12993
  C       4.58873       -2.53885        3.00087
  N       2.53407       -2.07250       -1.43533
  C       3.46100       -2.27104       -2.11326
  C       4.60283       -2.53167       -2.98027
  H       5.49604       -2.06589        2.61061
  H       4.75881       -3.62020        3.06268
  H       4.39101       -2.16207        4.01053
  H       5.50658       -2.05314       -2.58866
  H       4.40616       -2.15866       -3.99157
  H       4.77874       -3.61232       -3.03838
  H      -4.06617        2.74242       -3.05497
  H      -4.73901        1.14643       -2.66868
  H      -3.60064        1.32695       -4.02720
  H      -3.62431        1.30246        4.01438
  H      -4.75358        1.16122        2.64352
  H      -4.06300        2.74090        3.06386
  Nb      0.83398       -1.85005        0.00242
  H      -0.76081        5.43951       -2.06133
  C      -0.82139        4.74692       -1.21590
  H      -1.83524        4.30703       -1.22344
  P       0.41388        3.35764       -1.54857
  H      -0.83142        7.37794       -0.87743
  H      -2.25681        6.77008        0.00340
  C      -1.15768        6.82254        0.00531
  N      -0.52472        5.48285        0.00441
  H      -0.83438        7.37520        0.89084
  H      -1.83742        4.30563        1.22884
  C      -0.82311        4.74464        1.22295
  H      -0.76274        5.43560        2.06973
  H       1.83724        5.37689        1.23585
  P       0.41078        3.35414        1.55489
  C       2.02202        4.30136        1.27834
  C       0.41791        3.27549        3.40581
  H       0.63545        4.24894        3.85751
  H      -0.56409        2.94507        3.75596
  H       1.15902        2.54698        3.74906
  H      -0.55528        2.95638       -3.75436
  C       0.42645        3.28318       -3.39982
  H       1.16681        2.55345       -3.74219
  H       0.64832        4.25713       -3.84851
  H       2.71002        4.09134       -2.08969
  C       2.02401        4.30479       -1.26622
  H       1.83874        5.38012       -1.22067
  H       4.68146        4.15211       -0.88703
  N       2.75502        3.92640        0.00605
  C       4.15974        4.49520        0.00766
  H       4.67997        4.15094        0.90269
  H       4.09443        5.58440        0.00833
  H       2.70653        4.08531        2.10236
  H      -1.03433       -4.06130        3.87526
  H      -0.66321       -2.31636        3.74315
  H       0.64874       -3.50604        3.74788
  C      -0.37580       -3.31855        3.41217
  H      -2.81069       -3.02496        2.08422
  H      -0.30311       -5.79549        2.06561
  P      -0.42380       -3.40887        1.56687
  C      -2.28444       -3.51801        1.26334
  C       0.06730       -5.20328        1.22243
  H       1.17058       -5.26979        1.24294
  H      -2.61039       -4.55795        1.19168
  H      -1.13254       -7.54116        0.87951
  N      -2.71124       -2.81553       -0.00878
  C      -0.58599       -7.20118       -0.00353
  N      -0.52635       -5.71890       -0.00281
  H       0.41222       -7.66309       -0.00121
  C       0.07491       -5.20246       -1.22398
  H      -1.12822       -7.54058       -0.88945
  C      -2.27648       -3.51727       -1.27864
  P      -0.41427       -3.40794       -1.57081
  H       1.17831       -5.26878       -1.23754
  H      -2.60275       -4.55727       -1.20955
  H      -0.29013       -5.79421       -2.06980
  H      -2.79756       -3.02384       -2.10256
  C      -0.35522       -3.31753       -3.41596
  H       0.67092       -3.50681       -3.74570
  H      -1.01221       -4.05936       -3.88270
  H      -4.47152       -2.01380        0.88196
  C      -4.20032       -2.57480       -0.01344
  H      -4.46554       -2.01176       -0.90936
  H      -4.71480       -3.53717       -0.01629
  H      -0.63909       -2.31503       -3.74904
  H       1.11024        0.69809        1.57762
  H       1.11254        0.69943       -1.57194
  H       1.69364        0.82840       -0.97760
  H      -0.26607       -0.71966       -1.03627
  H      -2.20960       -1.90486       -0.00695
  H      -0.26811       -0.72006        1.03875
  H       2.82203        2.89728        0.00462
  H       1.69212        0.82695        0.98404
     98
(2.H8)d
  Nb     -0.49675        1.36305       -0.21488
  N      -1.99585        1.28711       -1.94423
  C      -2.69563        1.31691       -2.87045
  C      -3.54217        1.36958       -4.05861
  N      -2.49866        1.89845        0.81815
  C      -3.54868        2.17297        1.23888
  C      -4.86135        2.52535        1.77290
  N       2.49212       -1.90224        0.81751
  C       3.53932       -2.18464        1.24019
  C       4.84726       -2.54833        1.77827
  N       1.99476       -1.27695       -1.94318
  C       2.69354       -1.30260       -2.87033
  C       3.54153       -1.34901       -4.05771
  H       5.62256       -1.87237        1.40266
  H       5.10826       -3.56987        1.48075
  H       4.83521       -2.49570        2.87240
  H       4.59040       -1.18002       -3.79375
  H       3.22670       -0.57943       -4.77058
  H       3.45898       -2.32596       -4.54651
  H      -3.42648        2.33347       -4.56619
  H      -4.59592        1.24216       -3.79043
  H      -3.25556        0.57584       -4.75665
  H      -4.88532        2.36255        2.85596
  H      -5.64426        1.91661        1.30851
  H      -5.08184        3.57985        1.57421
  Nb      0.49292       -1.35986       -0.21586
  H       0.03107        6.13488       -0.76176
  C      -0.28474        5.25636       -0.19082
  H      -1.37286        5.29162       -0.08624
  P       0.17147        3.63007       -1.09136
  H       0.07588        7.55964        1.12241
  H      -1.25051        6.69800        1.96008
  C      -0.17151        6.74909        1.80990
  N       0.29045        5.43406        1.19998
  H       0.33816        6.89533        2.76370
  H      -1.03540        4.22006        2.29712
  C       0.04679        4.28651        2.15871
  H       0.49528        4.59216        3.10811
  H       2.88242        3.92061        1.48908
  P       0.67561        2.54513        1.67530
  C       2.50335        2.93307        1.20345
  C       0.99221        1.96640        3.41681
  H       1.70878        2.59205        3.96177
  H       0.04487        1.95128        3.96614
  H       1.36861        0.94046        3.36777
  H      -1.26874        4.49098       -2.87270
  C      -0.20477        4.24361       -2.80081
  H       0.00937        3.43628       -3.50666
  H       0.38069        5.12819       -3.07346
  H       2.41350        3.67653       -2.13892
  C       2.07879        3.83117       -1.11036
  H       2.46786        4.79957       -0.77780
  H       4.20772        2.30108       -1.70437
  N       2.70596        2.74856       -0.27636
  C       4.14500        2.51046       -0.63527
  H       4.50993        1.65470       -0.06496
  H       4.73652        3.39621       -0.39656
  H       3.12557        2.18777        1.70490
  H      -1.74660       -2.57546        3.94398
  H      -1.39954       -0.92715        3.34430
  H      -0.08261       -1.93460        3.96300
  C      -1.02400       -1.95282        3.40360
  H      -3.14065       -2.19079        1.67335
  H      -0.53122       -4.58383        3.10908
  P      -0.68904       -2.54023        1.66853
  C      -2.51136       -2.93718        1.18259
  C      -0.06365       -4.27799        2.16888
  H       1.01505       -4.20711        2.33063
  H      -2.88908       -3.92436        1.47117
  H      -0.33486       -6.88655        2.77547
  N      -2.70057       -2.76264       -0.29981
  C       0.18413       -6.73859        1.82699
  N      -0.28227       -5.42923        1.20823
  H       1.26089       -6.67766        1.98907
  C       0.31024       -5.24889       -0.17470
  H      -0.04844       -7.55317        1.13913
  C      -2.06242       -3.84874       -1.12072
  P      -0.15673       -3.63458       -1.08982
  H       1.39715       -5.26616       -0.05431
  H      -2.44815       -4.81667       -0.78298
  H       0.01688       -6.13486       -0.74601
  H      -2.39122       -3.70483       -2.15280
  C       0.23663       -4.25360       -2.79322
  H       1.30458       -4.48526       -2.85809
  H      -0.33432       -5.14830       -3.06351
  H      -4.50747       -1.67007       -0.11334
  C      -4.13645       -2.52966       -0.67385
  H      -4.18958       -2.32827       -1.74501
  H      -4.72903       -3.41430       -0.43367
  H       0.01443       -3.45378       -3.50517
  H       0.58702        1.45380       -1.68740
  H       1.10936        0.48764        0.19275
  H      -0.58914       -1.45071       -1.69000
  H      -2.11553       -1.90412       -0.53358
  H      -1.11392       -0.48586        0.19100
  H       2.12154        1.88993       -0.50964
  H       1.30574        5.52248        1.09198
  H      -1.29503       -5.52778        1.08616
     98
(2.H8)e
  Nb     -0.49745        1.29855        0.00026
  N      -2.26026        1.67337       -1.37970
  C      -3.18171        1.78665       -2.08247
  C      -4.32813        1.94741       -2.97323
  N      -2.25981        1.67217        1.38134
  C      -3.18023        1.78460        2.08552
  C      -4.32542        1.94414        2.97812
  N       2.25980       -1.67363        1.38138
  C       3.18103       -1.78727        2.08446
  C       4.32715       -1.94861        2.97554
  N       2.26066       -1.67467       -1.37934
  C       3.18270       -1.78894       -2.08114
  C       4.33037       -1.95102       -2.97009
  H       5.18336       -1.37250        2.60920
  H       4.62435       -3.00168        3.03106
  H       4.07841       -1.60421        3.98524
  H       5.18248       -1.36585       -2.60869
  H       4.08020       -1.61772       -3.98317
  H       4.63453       -3.00259       -3.01554
  H      -4.61434        3.00256       -3.04372
  H      -5.18935        1.38573       -2.59606
  H      -4.08582        1.58520       -3.97826
  H      -4.09158        1.55335        3.97435
  H      -5.19585        1.40737        2.58584
  H      -4.59298        3.00220        3.07386
  Nb      0.49776       -1.29866        0.00023
  H       0.01080        5.60799       -2.09674
  C      -0.33501        4.95522       -1.28865
  H      -1.42506        4.88945       -1.33743
  P       0.35029        3.17255       -1.47929
  H      -0.27933        7.60557       -0.89741
  H      -1.69744        6.97748       -0.00127
  C      -0.61146        7.07751       -0.00151
  N      -0.00102        5.68491       -0.00116
  H      -0.27900        7.60611        0.89396
  H      -1.42440        4.89050        1.33641
  C      -0.33438        4.95609        1.28696
  H       0.01200        5.60934        2.09444
  H       2.51183        4.57754        1.24142
  P       0.35082        3.17345        1.47824
  C       2.21940        3.52174        1.25503
  C       0.27214        3.16096        3.33691
  H       0.82226        3.98687        3.80070
  H      -0.77374        3.21369        3.65400
  H       0.67830        2.20676        3.68547
  H      -0.77530        3.21137       -3.65454
  C       0.27074        3.15895       -3.33790
  H       0.67682        2.20457       -3.68611
  H       0.82054        3.98465       -3.80241
  H       2.73837        3.05066       -2.09601
  C       2.21893        3.52085       -1.25710
  H       2.51136        4.57666       -1.24438
  H       4.51658        2.15894       -0.89497
  N       2.73086        2.87257       -0.00089
  C       4.22458        2.71262       -0.00113
  H       4.51692        2.15968        0.89308
  H       4.70057        3.69503       -0.00160
  H       2.73918        3.05217        2.09407
  H      -0.82330       -3.98629        3.80048
  H      -0.67757       -2.20601        3.68544
  H       0.77333       -3.21462        3.65371
  C      -0.27260       -3.16070        3.33684
  H      -2.73961       -3.05077        2.09390
  H      -0.01337       -5.60919        2.09423
  P      -0.35124       -3.17307        1.47814
  C      -2.22003       -3.52060        1.25487
  C       0.33333       -4.95600        1.28675
  H       1.42334       -4.89094        1.33633
  H      -2.51289       -4.57626        1.24129
  H       0.27667       -7.60606        0.89389
  N      -2.73108       -2.87108       -0.00106
  C       0.60921       -7.07768       -0.00166
  N      -0.00048       -5.68476       -0.00131
  H       1.69537       -6.97798       -0.00138
  C       0.33407       -4.95506       -1.28866
  H       0.27704       -7.60550       -0.89766
  C      -2.21946       -3.51966       -1.25726
  P      -0.35061       -3.17212       -1.47938
  H       1.42412       -4.88980       -1.33746
  H      -2.51231       -4.57534       -1.24463
  H      -0.01198       -5.60773       -2.09684
  H      -2.73866       -3.04923       -2.09619
  C      -0.27098       -3.15852       -3.33801
  H       0.77514       -3.21181       -3.65439
  H      -0.82115       -3.98402       -3.80244
  H      -4.51674       -2.15716        0.89286
  C      -4.22474       -2.71029       -0.00134
  H      -4.51637       -2.15653       -0.89526
  H      -4.70130       -3.69244       -0.00178
  H      -0.67616       -2.20379       -3.68625
  H       0.00022        0.00026        1.43074
  H       0.00039        0.00037       -1.43022
  H       1.31451        0.60010        0.00031
  H      -1.31394       -0.59976        0.00022
  H      -2.26164       -1.91334       -0.00057
  H       2.26189        1.91453       -0.00044
  H       1.01289        5.83301       -0.00146
  H      -1.01444       -5.83221       -0.00166
     110
3
  Nb     -0.80343        0.20652       -0.02165
  N       1.75796       -2.26583       -1.66132
  C       2.30148       -2.93874       -2.43761
  C       2.98391       -3.78233       -3.39843
  N       1.22684       -1.92712        2.21357
  C       1.45116       -2.45054        3.22560
  C       1.74131       -3.10834        4.48442
  H       2.30679       -4.57474       -3.75911
  H       3.86430       -4.25306       -2.92869
  H       3.31849       -3.18324       -4.26226
  H       1.07053       -3.97173        4.62637
  H       1.59879       -2.40672        5.32244
  H       2.78355       -3.46852        4.49188
  Nb      1.11938       -1.11200        0.14199
  H      -4.28930       -2.51436        1.70247
  C      -3.85537       -1.91410        0.88851
  H      -4.38473       -0.94393        0.86945
  P      -2.08891       -1.56021        1.39614
  H      -5.30349       -4.08853        0.40980
  H      -6.07500       -2.81186       -0.57950
  C      -5.17680       -3.44835       -0.47436
  N      -3.93837       -2.66314       -0.33986
  H      -5.10454       -4.10037       -1.35593
  H      -4.07415       -0.95278       -1.63995
  C      -3.57326       -1.93631       -1.52860
  H      -3.83395       -2.53913       -2.41148
  H      -1.81599       -4.04063       -1.14989
  P      -1.72623       -1.62804       -1.62464
  C      -1.01156       -3.28667       -1.17964
  C      -1.43749       -1.49736       -3.43168
  H      -1.65211       -2.46215       -3.91609
  H      -2.11666       -0.74583       -3.85624
  H      -0.40109       -1.20154       -3.63638
  H      -2.98366       -0.54058        3.41107
  C      -2.24283       -1.32694        3.20853
  H      -1.27784       -1.03197        3.63995
  H      -2.59345       -2.25742        3.68078
  H      -0.76967       -3.44453        2.16318
  C      -1.27807       -3.22074        1.22106
  H      -2.04880       -3.99357        1.06154
  H       1.06322       -4.47684        1.20500
  N      -0.28480       -3.24718        0.11674
  C       0.51342       -4.49379        0.25640
  H       1.23352       -4.57397       -0.56427
  H      -0.13759       -5.38332        0.24031
  H      -0.31148       -3.56487       -1.97275
  H       2.72721        1.15557       -3.81587
  H       1.04220        0.69058       -3.41231
  H       2.27904       -0.56359       -3.69090
  C       2.09992        0.43317       -3.27202
  H       2.12124        2.79844       -2.01750
  H       4.79144        0.34239       -2.32309
  P       2.50956        0.48477       -1.48048
  C       2.72100        2.31628       -1.23014
  C       4.30320       -0.07093       -1.42745
  H       4.33566       -1.17792       -1.51626
  H       3.78457        2.52608       -1.46258
  H       6.67004        1.12711       -1.28845
  N       2.31164        2.87091        0.04920
  C       6.42576        0.54482       -0.38908
  N       4.96489        0.44018       -0.25375
  H       6.91862       -0.44283       -0.46301
  C       4.53038       -0.13541        0.99365
  H       6.83823        1.07770        0.47887
  C       2.96133        2.29739        1.21728
  P       2.81543        0.46339        1.48649
  H       4.52385       -1.24821        1.00774
  H       4.04895        2.51341        1.24623
  H       5.21057        0.19212        1.79428
  H       2.51735        2.76229        2.11139
  C       2.89687        0.39189        3.32295
  H       3.30521       -0.57439        3.64616
  H       3.57362        1.18072        3.68439
  H       2.04289        4.80361       -0.79522
  C       2.56975        4.32508        0.04144
  H       2.21782        4.77869        0.97829
  H       3.64746        4.55129       -0.06222
  H       1.90161        0.53776        3.76467
  H      -2.12377        3.07140       -3.84841
  C      -1.46043        2.25079       -3.53402
  H      -1.79893        1.32085       -4.00647
  H      -0.44291        2.47519       -3.88672
  P      -1.45979        2.11029       -1.69972
  H      -3.80321        1.74746       -2.06485
  C      -3.26808        2.25287       -1.24689
  H      -1.10094        4.50848       -2.07330
  C      -0.77536        3.86095       -1.24743
  H      -3.57086        3.31811       -1.29081
  N      -3.65722        1.59969        0.00584
  H       0.31708        3.75805       -1.28644
  N      -1.24131        4.36538       -0.01340
  H      -2.81385        5.53233       -0.81859
  C      -2.11041        5.54407        0.02624
  C      -3.25348        2.28881        1.23634
  C      -5.12137        1.41276        0.00754
  H      -1.52906        6.48128       -0.02240
  H      -2.69666        5.55289        0.95561
  C      -0.70375        3.82197        1.17226
  P      -1.44374        2.09595        1.65160
  H       0.37670        3.64193        1.10623
  H      -0.92538        4.46934        2.03181
  H      -3.52990        3.36123        1.24371
  H      -3.79644        1.82494        2.07330
  C      -1.34516        2.21149        3.48329
  H      -0.29352        2.36019        3.77214
  H      -1.93160        3.07013        3.84535
  H      -1.71584        1.29847        3.96369
  H      -5.42384        0.79879       -0.85239
  H      -5.43680        0.90169        0.92752
  H      -5.66603        2.37404       -0.04825
     112
3.H2
  Nb     -1.05380        0.08108        0.00000
  N       2.39154       -2.02925       -1.60917
  C       3.05373       -2.61701       -2.36101
  C       3.88328       -3.35069       -3.29651
  N       2.39095       -2.03042        1.60851
  C       3.05395       -2.61821        2.35973
  C       3.88413       -3.35223        3.29437
  H       3.77305       -4.43535       -3.13188
  H       4.94188       -3.07844       -3.15176
  H       3.59190       -3.11583       -4.33349
  H       3.88669       -4.42488        3.03905
  H       3.50396       -3.23035        4.32203
  H       4.92004       -2.97716        3.24958
  Nb      1.29415       -0.90696       -0.00009
  H      -3.62459       -3.42079        2.07255
  C      -3.47987       -2.74447        1.21616
  H      -4.27693       -1.97649        1.27677
  P      -1.84078       -1.90309        1.49999
  H      -4.38887       -5.21450        0.88943
  H      -5.54432       -4.17506        0.00067
  C      -4.51518       -4.58070        0.00062
  N      -3.49059       -3.52341        0.00043
  H      -4.38902       -5.21463       -0.88814
  H      -4.27755       -1.97703       -1.27609
  C      -3.48022       -2.74464       -1.21543
  H      -3.62469       -3.42118       -2.07172
  H      -1.18965       -4.24216       -1.23595
  P      -1.84150       -1.90283       -1.49963
  C      -0.63479       -3.28875       -1.23378
  C      -1.83083       -1.67461       -3.31868
  H      -1.92978       -2.64788       -3.82353
  H      -2.68372       -1.04828       -3.61795
  H      -0.89636       -1.19018       -3.63116
  H      -2.68336       -1.05393        3.62028
  C      -1.82888       -1.67723        3.31933
  H      -0.89555       -1.19056        3.63174
  H      -1.92472       -2.65150        3.82280
  H       0.04889       -3.28735        2.09131
  C      -0.63450       -3.28921        1.23242
  H      -1.18966       -4.24244        1.23418
  H       1.72737       -4.35072        0.89000
  N       0.18802       -3.17414       -0.00077
  C       1.09444       -4.35903       -0.00110
  H       1.72729       -4.35025       -0.89222
  H       0.50456       -5.28947       -0.00126
  H       0.04830       -3.28609       -2.09294
  H       2.80042        1.54408       -3.80233
  H       1.19533        0.79438       -3.51245
  H       2.65192       -0.22746       -3.64469
  C       2.26768        0.73329       -3.28250
  H       1.65941        3.06387       -2.06910
  H       4.84195        1.21308       -2.07225
  P       2.50664        0.89447       -1.47061
  C       2.29457        2.72571       -1.23517
  C       4.35785        0.71713       -1.21728
  H       4.62375       -0.36006       -1.26794
  H       3.30432        3.15206       -1.40562
  H       6.35701        2.43896       -0.88728
  N       1.69229        3.19615        0.00103
  C       6.16957        1.81939        0.00079
  N       4.76985        1.37052        0.00073
  H       6.88724        0.97730        0.00078
  C       4.35783        0.71686        1.21857
  H       6.35700        2.43895        0.88887
  C       2.29411        2.72501        1.23718
  P       2.50654        0.89372        1.47158
  H       4.62407       -0.36030        1.26904
  H       3.30372        3.15150        1.40844
  H       4.84166        1.21287        2.07367
  H       1.65841        3.06238        2.07102
  C       2.26693        0.73164        3.28331
  H       2.64978       -0.22979        3.64522
  H       2.80022        1.54165        3.80380
  H       1.22425        5.06752       -0.89014
  C       1.72839        4.67025        0.00160
  H       1.22250        5.06687        0.89266
  H       2.76589        5.05585        0.00270
  H       1.19453        0.79388        3.51275
  H      -2.42576        2.68180       -3.89384
  C      -1.65394        2.04822       -3.43025
  H      -1.72877        1.03235       -3.83415
  H      -0.66766        2.45972       -3.69254
  P      -1.83109        2.05544       -1.60394
  H      -4.03279        1.18621       -2.07924
  C      -3.63122        1.77850       -1.24402
  H      -2.03888        4.40426       -2.05914
  C      -1.58112        3.86731       -1.21492
  H      -4.18398        2.73577       -1.21657
  N      -3.80413        0.98787       -0.00366
  H      -0.49475        4.06049       -1.24323
  N      -2.23008        4.27122        0.00152
  H      -3.36612        5.81228       -0.88550
  C      -2.73907        5.65097        0.00251
  C      -3.63462        1.77693        1.23815
  C      -5.16091        0.40298       -0.00587
  H      -1.93071        6.40552        0.00388
  H      -3.36745        5.81054        0.88987
  C      -1.58295        3.86485        1.21802
  P      -1.83575        2.05269        1.60474
  H      -0.49596        4.05636        1.24729
  H      -2.04014        4.40173        2.06241
  H      -4.18705        2.73440        1.20998
  H      -4.03938        1.18395        2.07144
  C      -1.66472        2.04358        3.43152
  H      -0.67748        2.45053        3.69747
  H      -2.43526        2.68019        3.89296
  H      -1.74528        1.02775        3.83443
  H      -5.30547       -0.21735       -0.89975
  H      -5.30747       -0.21987        0.88590
  H      -5.93800        1.18883       -0.00573
  H       0.09883       -0.30565       -1.37521
  H       0.09905       -0.30469        1.37474
     114
3.H4
  Nb      1.14629       -0.03294       -0.00441
  N      -2.70089       -1.80865        1.52265
  C      -3.37693       -2.36688        2.28352
  C      -4.22533       -3.06381        3.22958
  N      -2.73558       -1.83273       -1.46341
  C      -3.43112       -2.40145       -2.19861
  C      -4.30441       -3.11465       -3.10948
  H      -3.96454       -4.13516        3.25268
  H      -5.28298       -2.96197        2.93420
  H      -4.09250       -2.64496        4.24109
  H      -4.13851       -4.20141       -3.01876
  H      -4.10316       -2.80937       -4.14987
  H      -5.35824       -2.89720       -2.86800
  Nb     -1.46673       -0.70378        0.00690
  H       3.34163       -3.70636       -2.09587
  C       3.25506       -3.03039       -1.23130
  H       4.10386       -2.31459       -1.28032
  P       1.70277       -2.04236       -1.49360
  H       3.97063       -5.56932       -0.91846
  H       5.20664       -4.62111       -0.03493
  C       4.14995       -4.94814       -0.02972
  N       3.20915       -3.81657       -0.02314
  H       3.98008       -5.57155        0.85922
  H       4.12117       -2.31378        1.22076
  C       3.27200       -3.02980        1.18409
  H       3.37104       -3.70596        2.04708
  H       0.81219       -4.29273        1.24164
  P       1.72415       -2.04088        1.47153
  C       0.36277       -3.28517        1.23611
  C       1.75902       -1.81193        3.28870
  H       1.68001       -2.79239        3.78309
  H       2.71945       -1.36345        3.57826
  H       0.93733       -1.16250        3.61577
  H       2.66689       -1.38712       -3.62281
  C       1.70438       -1.81649       -3.31218
  H       0.88905       -1.15141       -3.62419
  H       1.59676       -2.79645       -3.80278
  H      -0.33904       -3.20701       -2.08870
  C       0.34539       -3.28716       -1.23334
  H       0.79579       -4.29473       -1.24386
  H      -2.07337       -4.18110       -0.87791
  N      -0.45948       -3.10279        0.00715
  C      -1.44549       -4.22097        0.01551
  H      -2.07645       -4.16547        0.90618
  H      -0.91927       -5.18869        0.02400
  H      -0.30819       -3.20336        2.10154
  H      -2.95784        1.75428        3.80936
  H      -1.37174        0.96689        3.51507
  H      -2.84963       -0.02247        3.65816
  C      -2.44683        0.92890        3.29040
  H      -1.71653        3.22314        2.04141
  H      -4.99897        1.52811        2.05932
  P      -2.68494        1.08843        1.48037
  C      -2.34573        2.89903        1.19839
  C      -4.53546        1.00337        1.21005
  H      -4.85814       -0.05758        1.26331
  H      -3.32985        3.39728        1.31273
  H      -6.42214        2.84283        0.87042
  N      -1.66806        3.26147       -0.03105
  C      -6.27311        2.21053       -0.01593
  N      -4.90433        1.67402       -0.01308
  H      -7.04235        1.41560       -0.01580
  C      -4.53671        0.99050       -1.22938
  H      -6.41940        2.83933       -0.90520
  C      -2.33759        2.87462       -1.25716
  P      -2.68645        1.06077       -1.49968
  H      -4.86766       -0.06834       -1.27398
  H      -3.31766        3.37662       -1.39125
  H      -4.99516        1.51088       -2.08409
  H      -1.70030        3.17546       -2.10292
  C      -2.45096        0.85955       -3.30579
  H      -2.85506       -0.10028       -3.65144
  H      -2.96309        1.67345       -3.84234
  H      -0.83228        4.99836        0.84613
  C      -1.40563        4.71087       -0.04573
  H      -0.82164        4.97886       -0.93695
  H      -2.34010        5.30334       -0.05786
  H      -1.37608        0.89325       -3.53245
  H       2.77994        2.52087        3.82193
  C       2.20021        1.68752        3.39479
  H       2.57756        0.74817        3.81359
  H       1.14520        1.80761        3.68028
  P       2.35363        1.71155        1.56306
  H       4.67454        1.33204        2.10607
  C       4.19723        1.83289        1.25038
  H       2.06616        4.07380        2.05049
  C       1.73466        3.45633        1.20306
  H       4.45543        2.90962        1.31259
  N       4.64178        1.19182        0.03672
  H       0.62940        3.40811        1.22367
  N       2.27825        3.98933       -0.00918
  H       3.24350        5.63630        0.88316
  C       2.64195        5.40910       -0.00901
  C       4.22762        1.82286       -1.19262
  C       6.06611        0.83854        0.05657
  H       1.76363        6.08105       -0.01822
  H       3.25910        5.63174       -0.89119
  C       1.76694        3.44605       -1.23152
  P       2.39321        1.69724       -1.55742
  H       0.66259        3.40077       -1.28246
  H       2.12263        4.05584       -2.07437
  H       4.48549        2.90060       -1.25527
  H       4.72904        1.31760       -2.03154
  C       2.30187        1.65431       -3.39284
  H       1.25740        1.75892       -3.71900
  H       2.88763        2.48953       -3.80737
  H       2.70686        0.71652       -3.78647
  H       6.28327        0.23853        0.95230
  H       6.30628        0.23115       -0.82788
  H       6.73149        1.72211        0.06166
  H      -0.15076       -0.41444        1.36428
  H      -0.16056       -0.42423       -1.36403
  H      -0.60662        0.92504       -0.00592
  H       2.90773       -0.35324        0.00120
     116
3.H6
  Nb     -1.36210       -0.15838        0.21951
  N       3.27270       -1.71501       -0.81189
  C       4.24654       -2.20152       -1.20886
  C       5.45603       -2.82632       -1.70771
  N       2.29222       -1.74675        1.86052
  C       2.77650       -2.24935        2.78533
  C       3.38576       -2.87684        3.94182
  H       5.28341       -3.90453       -1.86525
  H       6.27873       -2.69839       -0.98527
  H       5.74817       -2.37263       -2.66970
  H       3.75544       -3.88077        3.67532
  H       2.64771       -2.97087        4.75529
  H       4.23416       -2.26937        4.29842
  Nb      1.42352       -0.69179        0.02696
  H      -3.16565       -4.36096        1.37360
  C      -3.09977       -3.51240        0.67534
  H      -4.01539       -2.89765        0.81579
  P      -1.66586       -2.47198        1.25510
  H      -3.59311       -5.96975       -0.17093
  H      -4.85194       -4.95970       -0.94457
  C      -3.77199       -5.20131       -0.93610
  N      -2.93197       -4.02685       -0.66113
  H      -3.50186       -5.62678       -1.91273
  H      -3.85663       -2.37038       -1.67556
  C      -2.96756       -3.03648       -1.71249
  H      -2.98752       -3.55689       -2.68180
  H      -0.55371       -4.22820       -1.59913
  P      -1.44290       -1.94948       -1.70675
  C      -0.10576       -3.22517       -1.49846
  C      -1.26375       -1.53006       -3.48782
  H      -0.96571       -2.42963       -4.04692
  H      -2.21949       -1.18338       -3.89634
  H      -0.50318       -0.75116       -3.62370
  H      -2.78323       -2.14472        3.38083
  C      -1.81769       -2.57340        3.07569
  H      -1.01391       -1.98652        3.54133
  H      -1.76915       -3.61822        3.41821
  H       0.41880       -3.54020        1.82696
  C      -0.19845       -3.55218        0.92071
  H      -0.54886       -4.58739        0.76396
  H       2.40115       -4.05968        0.55929
  N       0.64841       -3.12742       -0.22245
  C       1.73601       -4.14234       -0.30739
  H       2.30927       -3.99846       -1.22660
  H       1.30636       -5.15668       -0.32924
  H       0.60615       -3.07106       -2.31684
  H       2.86316        1.41741       -4.02804
  H       1.27760        0.66361       -3.65759
  H       2.75841       -0.32894       -3.62756
  C       2.34735        0.66682       -3.41028
  H       1.29748        2.97400       -2.31531
  H       4.71456        1.79436       -2.35041
  P       2.55056        1.03697       -1.63030
  C       2.06416        2.82838       -1.53685
  C       4.40946        1.20091       -1.47466
  H       4.87924        0.20448       -1.59121
  H       2.96513        3.38345       -1.87075
  H       6.25924        3.08104       -1.24900
  N       1.53181        3.33774       -0.28401
  C       6.16208        2.45690       -0.34958
  N       4.80473        1.90258       -0.28048
  H       6.94243        1.67201       -0.38163
  C       4.50361        1.22907        0.95880
  H       6.34563        3.09573        0.52563
  C       2.27859        3.04758        0.92872
  P       2.66224        1.26105        1.30085
  H       4.85726        0.17649        1.01324
  H       3.25890        3.56442        0.96657
  H       4.98416        1.77464        1.78495
  H       1.68566        3.41447        1.78178
  C       2.59182        1.19980        3.13660
  H       3.26128        0.41098        3.50431
  H       2.93135        2.15738        3.55944
  H       0.68761        5.01489       -1.25979
  C       1.35372        4.79250       -0.41348
  H       0.90574        5.20625        0.50052
  H       2.31334        5.31671       -0.58634
  H       1.57082        0.98390        3.47769
  H      -4.03289        1.89760       -3.42557
  C      -3.32058        1.12662       -3.09396
  H      -3.79959        0.14136       -3.17010
  H      -2.44374        1.15578       -3.75504
  P      -2.80264        1.45804       -1.36388
  H      -5.23214        1.20538       -1.17312
  C      -4.48507        1.74279       -0.57453
  H      -2.67045        3.68092       -2.33952
  C      -2.17446        3.22594       -1.46991
  H      -4.71049        2.81784       -0.57776
  N      -4.60140        1.23548        0.82838
  H      -1.08849        3.17739       -1.68831
  N      -2.50342        3.98799       -0.28762
  H      -3.40816        5.58585       -1.33038
  C      -2.66606        5.42857       -0.53512
  C      -3.82258        2.02750        1.83231
  C      -6.03615        1.07969        1.24455
  H      -1.72293        5.92275       -0.83383
  H      -3.04061        5.91718        0.37526
  C      -1.66882        3.68832        0.85653
  P      -1.97214        1.99194        1.55024
  H      -0.58844        3.71431        0.63073
  H      -1.88104        4.41087        1.65887
  H      -4.18837        3.06356        1.81356
  H      -4.03040        1.59289        2.81939
  C      -1.29876        2.16306        3.24528
  H      -0.23487        2.42603        3.16534
  H      -1.81415        2.96401        3.79648
  H      -1.39152        1.21366        3.78847
  H      -6.54045        0.40961        0.53731
  H      -6.06938        0.65271        2.25452
  H      -6.52243        2.06393        1.23871
  H       1.04471       -0.90783       -1.65720
  H       0.12900       -0.34406        1.36211
  H       0.25173        0.64829       -0.49690
  H      -1.90457       -0.22833        1.88196
  H      -4.13833        0.28519        0.78764
  H      -3.12493       -0.68842        0.19585
     118
3.H8
  Nb     -1.42045        0.07569        0.23733
  N       2.94490       -2.42687        0.44230
  C       3.73400       -3.27094        0.51627
  C       4.73662       -4.31755        0.60501
  N       1.83878       -1.04116        2.61399
  C       2.12297       -1.18093        3.72731
  C       2.48083       -1.36535        5.12221
  H       4.25612       -5.30002        0.73684
  H       5.40428       -4.12992        1.46117
  H       5.34054       -4.33779       -0.31648
  H       2.17258       -2.36696        5.46222
  H       1.98112       -0.60700        5.74553
  H       3.57081       -1.26648        5.25013
  Nb      1.31937       -0.83885        0.42330
  H      -4.68983       -3.15339        1.30845
  C      -4.27787       -2.38307        0.63861
  H      -4.83637       -1.44359        0.82551
  P      -2.50537       -2.10453        1.16071
  H      -5.76409       -4.37852       -0.27214
  H      -6.50551       -2.90376       -0.96218
  C      -5.62427       -3.57132       -1.00476
  N      -4.36533       -2.86323       -0.72429
  H      -5.57842       -4.02482       -2.00484
  H      -4.55721       -0.93078       -1.65163
  C      -4.01976       -1.89842       -1.74379
  H      -4.27235       -2.32427       -2.72673
  H      -2.29960       -3.95375       -2.05878
  P      -2.18683       -1.50749       -1.77806
  C      -1.49849       -3.25440       -1.78060
  C      -1.92996       -1.09230       -3.55433
  H      -1.97264       -2.00068       -4.17370
  H      -2.72903       -0.42205       -3.89239
  H      -0.96400       -0.59285       -3.70243
  H      -3.21827       -1.51325        3.39408
  C      -2.55495       -2.28657        2.98126
  H      -1.54284       -2.13270        3.38068
  H      -2.93140       -3.27699        3.27762
  H      -1.22344       -4.16015        1.50441
  C      -1.80530       -3.77098        0.65948
  H      -2.62626       -4.46319        0.42772
  H       0.34026       -5.27640        0.23833
  N      -0.88482       -3.71826       -0.50796
  C      -0.17124       -5.01868       -0.69701
  H       0.56074       -4.90554       -1.50618
  H      -0.89429       -5.80345       -0.95505
  H      -0.70702       -3.28918       -2.53979
  H       2.66083       -0.94772       -4.21921
  H       1.04134       -1.17224       -3.47850
  H       2.34294       -2.34494       -3.14302
  C       2.12108       -1.28286       -3.32074
  H       1.84603        1.47225       -3.25540
  H       4.79511       -0.62532       -2.84014
  P       2.62706       -0.31942       -1.84753
  C       2.63101        1.43093       -2.48336
  C       4.46325       -0.67251       -1.79142
  H       4.61352       -1.71926       -1.45895
  H       3.60247        1.55579       -3.00568
  H       6.73672        0.49360       -2.46427
  N       2.36960        2.49430       -1.52606
  C       6.62344        0.36260       -1.37885
  N       5.19772        0.31001       -1.03546
  H       7.17013       -0.55233       -1.07802
  C       4.93657        0.34423        0.38362
  H       7.09142        1.22553       -0.88474
  C       3.23936        2.54214       -0.36091
  P       3.23718        1.04594        0.75538
  H       5.03563       -0.63479        0.89722
  H       4.30077        2.72222       -0.62583
  H       5.65878        1.02770        0.85450
  H       2.91433        3.38695        0.26570
  C       3.49302        1.79279        2.41580
  H       3.84219        1.02498        3.11940
  H       4.25467        2.58531        2.36135
  H       1.71148        3.79200       -3.06318
  C       2.41795        3.78891       -2.22067
  H       2.13713        4.59537       -1.52876
  H       3.42546        4.01610       -2.61940
  H       2.55577        2.22269        2.79492
  H      -2.98473        3.16163       -3.30459
  C      -2.65939        2.15300       -3.00685
  H      -3.49353        1.45395       -3.15204
  H      -1.81970        1.85461       -3.64912
  P      -2.11909        2.16739       -1.25093
  H      -4.47192        2.83799       -1.09422
  C      -3.59060        3.03483       -0.46995
  H      -1.05784        4.18151       -2.10244
  C      -0.83677        3.53408       -1.24220
  H      -3.39981        4.11587       -0.43146
  N      -3.91433        2.55741        0.91059
  H       0.14118        3.04178       -1.40415
  N      -0.88671        4.32353       -0.02862
  H      -1.11722        6.18051       -1.00412
  C      -0.51386        5.73294       -0.20185
  C      -2.91399        2.97195        1.94473
  C      -5.31253        2.92508        1.31373
  H       0.55504        5.87027       -0.45250
  H      -0.72387        6.28601        0.72477
  C      -0.25762        3.68654        1.10360
  P      -1.22637        2.20124        1.67734
  H       0.77745        3.33901        0.90720
  H      -0.22048        4.39512        1.94516
  H      -2.84751        4.06853        1.94158
  H      -3.29793        2.63868        2.91827
  C      -0.61408        1.97548        3.38866
  H       0.43417        1.65170        3.33456
  H      -0.67978        2.91116        3.96352
  H      -1.19372        1.18686        3.88632
  H      -6.01444        2.51643        0.57618
  H      -5.52069        2.50115        2.30393
  H      -5.40290        4.01864        1.34922
  H       0.89912       -1.93612       -0.88526
  H      -0.10707       -0.21670        1.47476
  H       0.28877        0.39656       -0.57864
  H      -2.01136        0.10535        1.88651
  H      -3.83038        1.50350        0.83413
  H      -3.26193        0.22204        0.23751
  H      -0.15013       -2.99119       -0.25477
  H       0.59130       -2.32656        1.04286
     98
3b
  Nb      1.27669       -0.92694        0.00004
  H       2.44330       -0.57307        3.82628
  H       1.44584        0.90929        3.71324
  C       2.41578        0.46127        3.45361
  H       3.22067        1.03277        3.94184
  H       4.62306       -0.80027        2.06661
  P       2.62543        0.48647        1.63325
  H       3.17934        2.83443        2.06038
  C       4.33355       -0.14174        1.23447
  H       5.15458       -2.64519       -0.89063
  H       5.07664        0.67725        1.20315
  C       2.66363        2.36241        1.21132
  C       5.28686       -2.01599        0.00052
  H       5.18590        3.15250        0.88808
  H       1.60934        2.69451        1.22353
  H       6.32097       -1.62676        0.00055
  N       4.27985       -0.93577        0.00028
  C       4.59058        3.40639       -0.00003
  N       3.33331        2.64788       -0.00018
  H       5.15444       -2.64493        0.89185
  H       4.41363        4.49547        0.00023
  C       4.33374       -0.14211       -1.23413
  H       5.07692        0.67681       -1.20302
  H       5.18582        3.15292       -0.88832
  C       2.66399        2.36213       -1.21181
  H       1.60974        2.69434       -1.22448
  P       2.62570        0.48611       -1.63321
  H       4.62323       -0.80094       -2.06605
  H       3.18004        2.83385       -2.06084
  C       2.41602        0.46052       -3.45355
  H       3.22092        1.03185       -3.94196
  H       2.44342       -0.57389       -3.82604
  H       1.44609        0.90857       -3.71318
  H      -0.53490        2.44887       -3.77580
  H      -0.38364       -1.26812       -3.75819
  H      -1.59632        1.01674       -3.89738
  H      -2.17190       -1.28815       -3.70724
  C      -1.50779        2.02761       -3.48040
  C      -1.26120       -1.82634       -3.40491
  H      -2.30060        2.66358       -3.90397
  H      -1.27794       -2.82241       -3.87354
  H      -1.83013        4.38400       -2.05528
  P      -1.62247        1.99491       -1.64872
  H       0.74373       -3.33676       -2.09530
  P      -1.23589       -1.97181       -1.57554
  C      -1.38820        3.83413       -1.21173
  H      -0.29880        4.03848       -1.22040
  H      -3.82413        1.08909       -2.07129
  C       0.03513       -3.31927       -1.25369
  H      -2.97045       -3.60336       -2.06543
  C      -3.41281        1.67725       -1.23819
  C      -2.83412       -2.92162       -1.21277
  H       2.61726       -3.82612        0.89294
  H      -0.47126       -4.29964       -1.22453
  H      -3.52346        5.41113       -0.88818
  Nb     -0.86230        0.10384       -0.00013
  H      -3.65611       -2.18145       -1.24085
  H      -3.98626        2.62107       -1.18624
  N      -2.04002        4.19841        0.00029
  C      -2.87695        5.40860        0.00038
  H      -2.27559        6.33477        0.00068
  C       2.00968       -4.01909       -0.00040
  H       1.69076       -5.07396       -0.00040
  N       0.82096       -3.11446       -0.00026
  H      -3.19951       -5.54568       -0.88903
  H      -4.92191       -0.46365        0.89274
  N      -3.53666        0.87467       -0.00046
  N      -2.75413       -3.68021        0.00022
  H      -0.29912        4.03800        1.22136
  C      -1.38853        3.83373        1.21235
  C      -4.83735        0.16889       -0.00079
  C      -3.48077       -4.96500        0.00035
  H       2.61706       -3.82607       -0.89387
  H      -3.52380        5.41077        0.88869
  C       0.03545       -3.31922        1.25338
  H      -5.68486        0.87727       -0.00076
  H      -4.57658       -4.82830        0.00053
  C      -3.41324        1.67687        1.23757
  P      -1.62304        1.99436        1.64882
  C      -2.83384       -2.92153        1.21318
  H      -0.47099       -4.29957        1.22439
  H      -3.65580       -2.18133        1.24137
  P      -1.23554       -1.97173        1.57555
  H      -3.98670        2.62068        1.18572
  H      -1.83064        4.38337        2.05596
  H      -4.92166       -0.46326       -0.89462
  H      -3.19921       -5.54566        0.88965
  H       0.74426       -3.33670        2.09480
  H      -3.82483        1.08843        2.07033
  H      -2.97006       -3.60322        2.06590
  C      -1.50916        2.02675        3.48055
  C      -1.26030       -1.82643        3.40494
  H      -0.53622        2.44752        3.77647
  H      -2.30189        2.66300        3.90384
  H      -0.38291       -1.26777        3.75796
  H      -1.27635       -2.82256        3.87347
  H      -1.59833        1.01586        3.89735
  H      -2.17118       -1.28878        3.70767
     100
3b.H2
  Nb     -1.20471       -0.90889        0.09396
  H      -1.00068        1.17128       -3.11758
  H      -1.16392        2.65654       -2.14190
  C      -1.71553        1.81970       -2.59394
  H      -2.44550        2.22061       -3.31360
  H      -3.09132       -0.67093       -3.06233
  P      -2.55585        0.87335       -1.27478
  H      -4.25738        2.54274       -1.52654
  C      -3.53832       -0.46772       -2.07842
  H      -3.76022       -3.77653       -1.46351
  H      -4.59417       -0.18435       -2.23610
  C      -3.84279        2.06691       -0.62425
  C      -3.77158       -2.86164       -2.06727
  H      -6.46199        2.22999       -1.06702
  H      -3.32866        2.86701       -0.05254
  H      -4.78870       -2.74223       -2.47862
  N      -3.39574       -1.68673       -1.23932
  C      -6.21412        2.05801       -0.01032
  N      -4.89810        1.39945        0.08392
  H      -3.06972       -2.96772       -2.90602
  H      -6.24352        3.02500        0.52383
  C      -4.26677       -1.64528       -0.02916
  H      -5.28307       -1.28334       -0.26568
  H      -6.98409        1.39822        0.41284
  C      -4.55617        0.92731        1.39901
  H      -4.04799        1.67005        2.04771
  P      -3.49543       -0.60904        1.32471
  H      -4.35716       -2.66876        0.36311
  H      -5.47282        0.61833        1.92445
  C      -3.80149       -1.48146        2.90733
  H      -4.87538       -1.70059        3.01909
  H      -3.23838       -2.42512        2.95316
  H      -3.47982       -0.84010        3.74197
  H      -2.02393        3.15168        1.46881
  H       0.93160       -1.27852        3.69303
  H      -1.32386        2.02112        2.66506
  H       2.71818       -1.39969        3.73605
  C      -1.13657        2.92869        2.07538
  C       1.80017       -1.85045        3.33875
  H      -0.95597        3.77940        2.75064
  H       1.74051       -2.88322        3.71612
  H       0.24043        5.05482        0.76273
  P       0.31089        2.66505        0.98506
  H      -0.04765       -3.31054        1.94452
  P       1.85486       -1.87776        1.50487
  C       0.48033        4.26016        0.03928
  H      -0.30706        4.29554       -0.74548
  H       1.41683        2.34133        3.12115
  C       0.64552       -3.23137        1.09315
  H       3.68196       -3.40327        1.92299
  C       1.77296        2.61671        2.11821
  C       3.51057       -2.65466        1.13401
  H      -1.70612       -4.01033       -1.17971
  H       1.17256       -4.19660        1.00477
  H       2.04658        6.37789        0.38272
  Nb      1.04403        0.23246        0.21446
  H       4.28919       -1.87050        1.26170
  H       2.30123        3.58261        2.19267
  N       1.82007        4.45058       -0.45174
  C       2.20963        5.86805       -0.57697
  H       1.63946        6.39745       -1.36216
  C      -1.16046       -4.09279       -0.23705
  H      -0.65538       -5.07061       -0.20448
  N      -0.16333       -2.98238       -0.13766
  H       4.42948       -5.08170        0.56573
  H       4.15127        0.22139        2.37456
  N       2.65478        1.52527        1.61574
  N       3.53431       -3.30775       -0.15258
  H       1.38840        3.62395       -2.39122
  C       2.16527        3.64671       -1.59746
  C       3.54454        1.07123        2.71292
  C       4.56324       -4.36032       -0.25224
  H      -1.86442       -4.03980        0.60632
  H       3.28043        5.93381       -0.81395
  C       0.68122       -3.00477       -1.36655
  H       4.22450        1.88125        3.02536
  H       5.58996       -3.95349       -0.20151
  C       3.50344        1.97963        0.47192
  P       2.59848        1.87294       -1.16357
  C       3.53125       -2.40529       -1.27920
  H       1.23399       -3.95693       -1.42665
  H       4.31139       -1.61414       -1.22921
  P       1.87407       -1.57278       -1.49309
  H       3.89055        2.99904        0.64127
  H       3.07517        4.05739       -2.05898
  H       2.94173        0.77440        3.57871
  H       4.44443       -4.89942       -1.20233
  H       0.01084       -2.94315       -2.23524
  H       4.36132        1.29689        0.39417
  H       3.71516       -2.97737       -2.20169
  C       3.93930        1.49907       -2.36125
  C       1.80539       -1.17166       -3.27943
  H       3.56022        1.59242       -3.38976
  H       4.76004        2.22208       -2.23171
  H       0.87772       -0.62917       -3.50672
  H       1.84562       -2.09830       -3.87253
  H       4.33510        0.48588       -2.21102
  H       2.66192       -0.54745       -3.56156
  H      -0.24705       -0.30234        1.55052
  H      -0.16750       -0.18454       -1.22928
     100
(3b.H2)b
  Nb     -0.59117        1.33993        0.00268
  Nb     -0.11507       -1.07135       -0.00021
  H       0.72470        5.27414       -2.05910
  C       0.34330        4.68754       -1.21669
  H      -0.75628        4.78844       -1.22674
  P       0.77816        2.88445       -1.59434
  H       1.66991        6.95959       -0.87950
  H       0.14094        7.16500        0.01392
  C       1.11174        6.65019        0.00721
  N       0.96839        5.16932        0.00441
  H       1.67995        6.95496        0.88916
  H      -0.74447        4.78338        1.25080
  C       0.35494        4.68204        1.22941
  H       0.74476        5.26433        2.07094
  H       2.99792        3.95528        1.24162
  P       0.79262        2.87727        1.59367
  C       2.65204        2.91941        1.27082
  C       0.74730        2.80146        3.43966
  H       1.42134        3.54249        3.88330
  H      -0.26922        3.01708        3.78496
  H       1.02853        1.80328        3.78692
  H      -0.30489        3.03767       -3.77424
  C       0.71446        2.81796       -3.44003
  H       0.98997        1.82108       -3.79543
  H       1.38556        3.56006       -3.88625
  H       3.13875        2.40272       -2.10962
  C       2.64046        2.92541       -1.28943
  H       2.98719        3.96102       -1.25885
  H       4.91883        1.57312       -0.91801
  N       3.10699        2.25578       -0.01287
  C       4.61863        2.11515       -0.02007
  H       4.92711        1.56943        0.87279
  H       5.06389        3.11155       -0.02013
  H       3.15823        2.39321        2.08395
  H      -3.15829       -0.48747        3.88233
  H      -1.42629       -0.05084        3.84136
  H      -1.92381       -1.75593        3.80185
  C      -2.17966       -0.74659        3.46358
  H      -3.10714        1.55087        2.10304
  H      -4.24067       -1.98506        2.07391
  P      -2.22496       -0.71021        1.61581
  C      -3.23365        0.85940        1.26581
  C      -3.54422       -2.02317        1.22958
  H      -3.05524       -3.01016        1.25095
  H      -4.28949        0.56326        1.22030
  H      -6.17746       -2.02852        0.90076
  N      -2.85645        1.59061        0.00872
  C      -5.63268       -2.36385        0.01509
  N      -4.27903       -1.74958        0.01133
  H      -5.59555       -3.46212        0.01519
  C      -3.55139       -2.02185       -1.21148
  H      -6.18224       -2.02902       -0.86777
  C      -3.24072        0.86070       -1.24703
  P      -2.23428       -0.70865       -1.60388
  H      -3.06239       -3.00873       -1.23703
  H      -4.29630        0.56459       -1.19613
  H      -4.25292       -1.98299       -2.05151
  H      -3.11879        1.55308       -2.08414
  C      -2.19898       -0.74404       -3.45185
  H      -1.94363       -1.75285       -3.79212
  H      -3.18028       -0.48609       -3.86490
  H      -3.23449        3.48703        0.90208
  C      -3.53172        2.92936        0.01135
  H      -3.23914        3.48814       -0.88017
  H      -4.62225        2.81159        0.01409
  H      -1.44872       -0.04702       -3.83335
  H       1.90770       -3.30934       -3.91001
  C       1.49434       -2.38372       -3.49505
  H       3.76940       -1.76029       -1.22697
  H      -0.07246       -4.30596       -2.07090
  N       3.46366       -3.49878       -0.00763
  H       1.32800       -4.91360       -1.17370
  H       4.73401       -4.93780        0.87209
  H       3.77316       -1.76285        1.21475
  N      -0.21182       -3.94751       -0.00249
  H       3.68417       -3.32337        2.04606
  H       1.33042       -4.91564        1.16387
  C       0.61126       -4.08793        1.23521
  H      -1.86945       -4.93876        0.88797
  H      -0.06734       -4.30787        2.06516
  H       2.14358       -1.55667        3.80140
  H       0.50663       -2.23321        3.90206
  H       2.13027       -1.55008       -3.80993
  H       3.67841       -3.31897       -2.06155
  C       3.26505       -2.74609       -1.22560
  H       4.73269       -4.93470       -0.89451
  P       1.44313       -2.46694       -1.65001
  H       5.61522       -3.66257       -0.00968
  C       4.71466       -4.29369       -0.01008
  C       0.60816       -4.08630       -1.24252
  C       3.26861       -2.74857        1.21246
  H      -1.87131       -4.93776       -0.89049
  C      -1.24138       -5.02480       -0.00198
  H      -0.78043       -6.02229       -0.00302
  P       1.44818       -2.46938        1.64225
  C       1.50531       -2.38885        3.48738
  H       1.91874       -3.31572        3.89949
  H       0.49401       -2.22891       -3.90607
  H       1.09371        0.35213       -0.00341
  H       2.68670        1.31049       -0.01300
     100
(3b.H2)c
  Nb      0.93197        1.18148       -0.00107
  H       0.71495        2.53442        3.77670
  H      -0.89884        1.78625        3.75462
  C      -0.31521        2.65168        3.42718
  H      -0.73503        3.55249        3.88867
  H       1.08907        4.67717        2.06960
  P      -0.36015        2.80332        1.58689
  H      -2.58943        3.63339        2.06082
  C       0.41741        4.47006        1.23039
  H       2.80770        5.54058       -0.88725
  H      -0.36590        5.24484        1.23286
  C      -2.19794        3.05314        1.21901
  C       2.17093        5.59565       -0.00051
  H      -3.70056        5.22025        0.88322
  H      -2.70132        2.06665        1.24273
  H       1.65735        6.56781       -0.00031
  N       1.22170        4.45295       -0.00053
  C      -3.67615        4.57744        0.00020
  N      -2.41826        3.79644       -0.00010
  H       2.80796        5.54037        0.88605
  H      -4.57158        3.93851        0.00027
  C       0.41693        4.47054       -1.23113
  H      -0.36643        5.24527       -1.23281
  H      -3.70087        5.22044       -0.88268
  C      -2.19835        3.05342       -1.21945
  H      -2.70172        2.06693       -1.24323
  P      -0.36063        2.80378       -1.58804
  H       1.08821        4.67810       -2.07054
  H      -2.59013        3.63385       -2.06099
  C      -0.31641        2.65263       -3.42835
  H      -0.73682        3.55337       -3.88946
  H       0.71361        2.53581       -3.77840
  H      -0.89986        1.78706       -3.75568
  H      -2.06945       -0.95473       -3.79216
  H       1.42760       -0.35483       -3.82882
  H      -1.00379       -2.37335       -3.82170
  H       1.63413       -2.11826       -3.76699
  C      -1.95772       -1.98880       -3.45103
  C       2.05914       -1.16101       -3.44736
  H      -2.77282       -2.58320       -3.87778
  H       3.06165       -1.07646       -3.88053
  H      -4.37557       -1.73312       -2.06312
  P      -2.00094       -2.02602       -1.60285
  H       3.34877        0.99561       -2.09666
  P       2.12920       -1.11511       -1.59928
  C      -3.75271       -1.41300       -1.22178
  H      -3.73742       -0.30804       -1.23094
  H      -1.73427       -4.42084       -2.09698
  C       3.37613        0.28155       -1.26899
  H       3.95223       -2.66567       -2.06271
  C      -2.20906       -3.87421       -1.27816
  C       3.25293       -2.59692       -1.22281
  H       3.76938        2.87981        0.88593
  H       4.37829       -0.16443       -1.23310
  H      -6.12972       -2.54830       -0.88489
  Nb     -0.00471       -1.09459       -0.00131
  H       2.60502       -3.49014       -1.23861
  H      -3.26989       -4.13324       -1.24418
  N      -4.29412       -1.98124       -0.00104
  C      -5.77986       -2.01010       -0.00084
  H      -6.21980       -1.00295       -0.00067
  C       3.98819        2.28484       -0.00131
  H       5.04667        1.99976       -0.00184
  N       3.13152        1.05336       -0.00136
  H       5.85896       -2.98620       -0.88826
  H      -1.00480       -6.23974        0.89197
  N      -1.57370       -4.38359       -0.00154
  N       4.01623       -2.44749       -0.00258
  H      -3.73712       -0.30849        1.22936
  C      -3.75241       -1.41345        1.21974
  C      -1.53174       -5.90224       -0.00173
  C       5.27121       -3.24156       -0.00333
  H       3.76857        2.88040       -0.88794
  H      -6.12949       -2.54843        0.88322
  C       3.37688        0.28098        1.26572
  H      -2.55466       -6.28284       -0.00168
  H       5.08174       -4.32391       -0.00327
  C      -2.20887       -3.87456        1.27534
  P      -2.00054       -2.02653        1.60047
  C       3.25395       -2.59755        1.21825
  H       4.37907       -0.16488        1.22922
  H       2.60625       -3.49090        1.23423
  P       2.13012       -1.11601        1.59590
  H      -3.26977       -4.13329        1.24130
  H      -4.37506       -1.73396        2.06108
  H      -1.00496       -6.23954       -0.89559
  H       5.86001       -2.98612        0.88089
  H       3.34990        0.99463        2.09379
  H      -1.73421       -4.42164        2.09395
  H       3.95397       -2.66660        2.05755
  C      -1.95747       -1.98924        3.44868
  C       2.06018       -1.16197        3.44409
  H      -2.06891       -0.95503        3.78951
  H      -2.77282       -2.58326        3.87544
  H       1.42870       -0.35557        3.82525
  H       3.06267       -1.07729        3.87727
  H      -1.00373       -2.37401        3.81964
  H       1.63493       -2.11903        3.76401
  H       0.69013       -2.76385       -0.00185
  H      -0.59724       -4.02639       -0.00164
     102
3b.H4
  Nb      1.36925       -0.90686        0.03114
  H       2.66800       -1.10430        3.65855
  H       2.40812        0.66406        3.76751
  C       3.07340       -0.12247        3.38024
  H       4.06919        0.00904        3.83095
  H       4.37223       -2.07795        1.67987
  P       3.17725        0.01592        1.56410
  H       4.75462        1.75160        2.10405
  C       4.35930       -1.27327        0.93239
  H       4.02186       -3.63426       -1.47429
  H       5.38434       -0.87953        0.82847
  C       4.01284        1.66544        1.29551
  C       4.40214       -3.19743       -0.54156
  H       6.57969        2.23739        0.82814
  H       3.25688        2.46305        1.46553
  H       5.50366       -3.16264       -0.59976
  N       3.84488       -1.83465       -0.35295
  C       5.90725        2.58027        0.02976
  N       4.68814        1.75154        0.02617
  H       4.12030       -3.83990        0.30131
  H       5.69027        3.65286        0.18472
  C       4.22384       -0.98308       -1.51596
  H       5.26116       -0.61065       -1.45176
  H       6.43436        2.46068       -0.92698
  C       3.82875        1.94951       -1.10567
  H       3.04675        2.72858       -0.96939
  P       2.97049        0.36848       -1.58394
  H       4.13361       -1.57958       -2.43561
  H       4.42892        2.23768       -1.98277
  C       2.41697        0.59179       -3.31233
  H       3.27291        0.84865       -3.95634
  H       1.94703       -0.32744       -3.68986
  H       1.68090        1.40782       -3.34939
  H      -0.69714        2.41391       -3.83501
  H      -1.11352       -0.95618       -3.69039
  H      -2.01356        1.21019       -3.80323
  H      -2.90272       -0.92264       -3.59173
  C      -1.70216        2.19707       -3.44254
  C      -1.99997       -1.49448       -3.32992
  H      -2.39672        2.96012       -3.82707
  H      -2.06472       -2.47486       -3.82703
  H      -1.62151        4.60762       -2.07591
  P      -1.65997        2.24414       -1.61219
  H       0.05534       -2.95592       -2.18297
  P      -1.91786       -1.70824       -1.51122
  C      -1.18197        4.02196       -1.25490
  H      -0.07802        4.10043       -1.35498
  H      -3.95700        1.50461       -1.79839
  C      -0.61501       -3.03058       -1.31397
  H      -3.63293       -3.32462       -2.01159
  C      -3.41365        2.07186       -1.02886
  C      -3.49819       -2.64078       -1.15934
  H       1.84112       -4.06358        0.74069
  H      -1.10882       -4.01533       -1.36073
  H      -2.77675        6.11560       -0.83166
  Nb     -1.05201        0.27279        0.01034
  H      -4.34084       -1.91924       -1.20150
  H      -3.92314        3.04185       -0.89868
  N      -1.69730        4.50074       -0.00175
  C      -2.08702        5.92282        0.00160
  H      -1.21922        6.60078       -0.09219
  C       1.19981       -4.08130       -0.14669
  H       0.66739       -5.04444       -0.18734
  N       0.22273       -2.94950       -0.07791
  H      -4.24939       -5.16022       -0.81006
  H      -4.79859        0.06125        1.31117
  N      -3.42035        1.26671        0.23388
  N      -3.42934       -3.41571        0.05457
  H       0.14145        4.18396        1.06716
  C      -0.96127        4.07873        1.15902
  C      -4.75466        0.63645        0.37894
  C      -4.38727       -4.53678        0.08426
  H       1.81261       -3.98412       -1.05034
  H      -2.61631        6.15494        0.93608
  C      -0.59657       -3.15166        1.15621
  H      -5.54627        1.40434        0.40906
  H      -5.43820       -4.19505        0.11812
  C      -3.16380        2.11590        1.43962
  P      -1.33049        2.30871        1.62159
  C      -3.42087       -2.64018        1.27161
  H      -1.16620       -4.09062        1.06637
  H      -4.24574       -1.90778        1.35771
  P      -1.78673       -1.76537        1.52573
  H      -3.69776        3.07993        1.38581
  H      -1.27067        4.67993        2.02747
  H      -4.94976       -0.03116       -0.46859
  H      -4.19259       -5.16195        0.96675
  H       0.09297       -3.23025        2.00533
  H      -3.52873        1.57522        2.32438
  H      -3.51635       -3.32357        2.12960
  C      -0.93228        2.22899        3.40632
  C      -1.69011       -1.56615        3.34425
  H       0.13754        2.44822        3.54256
  H      -1.51667        2.97490        3.96728
  H      -0.71931       -1.13332        3.62125
  H      -1.81401       -2.53813        3.84632
  H      -1.14024        1.22796        3.80419
  H      -2.49549       -0.89817        3.68467
  H       0.14402       -0.32759        1.31885
  H       0.73299        0.86984       -0.02634
  H      -0.01279       -0.31078       -1.35832
  H       1.72575       -1.73882        1.53626
     102
(3b.H4)b
  Nb      0.66520        1.46407       -0.09544
  H       0.11953        2.15754        3.87136
  H      -1.54946        1.59700        3.60947
  C      -0.85690        2.43122        3.46281
  H      -1.23481        3.29720        4.01780
  H       0.99669        4.35428        2.44113
  P      -0.72779        2.83674        1.66737
  H      -2.85167        3.90837        2.12551
  C       0.35295        4.34300        1.55614
  H       3.05021        5.04296       -0.35452
  H      -0.22098        5.27960        1.54374
  C      -2.47292        3.40494        1.23030
  C       2.40918        5.08848        0.52769
  H      -3.57570        5.82647        1.16158
  H      -3.09159        2.50284        1.06959
  H       2.09614        6.13136        0.67128
  N       1.22556        4.19515        0.35129
  C      -3.60559        5.31418        0.19704
  N      -2.49116        4.33889        0.12732
  H       2.98132        4.77573        1.40509
  H      -4.58902        4.83861        0.07497
  C       0.51387        4.59286       -0.90294
  H      -0.06275        5.51893       -0.77195
  H      -3.47544        6.06450       -0.58627
  C      -2.34037        3.73299       -1.17793
  H      -2.99752        2.86063       -1.34978
  P      -0.57036        3.19283       -1.51344
  H       1.26685        4.77274       -1.67579
  H      -2.57897        4.47822       -1.94386
  C      -0.45218        3.20340       -3.35281
  H      -0.68928        4.19927       -3.74334
  H       0.55487        2.92641       -3.67665
  H      -1.16403        2.48508       -3.77128
  H      -1.98737       -1.13376       -3.84039
  H       1.36979       -1.26941       -3.88501
  H      -0.98826       -2.59889       -3.89019
  H       1.66329       -2.98852       -3.52192
  C      -1.91693       -2.17244       -3.50295
  C       2.04811       -1.97182       -3.39307
  H      -2.76543       -2.72963       -3.91381
  H       3.03074       -1.91765       -3.87497
  H      -4.31827       -1.95267       -2.05971
  P      -1.92888       -2.21159       -1.65472
  H       3.00247        0.49826       -2.55904
  P       2.18945       -1.58397       -1.59204
  C      -3.66858       -1.59898       -1.25260
  H      -3.65101       -0.49529       -1.30227
  H      -1.65801       -4.60894       -2.14095
  C       3.20756       -0.00900       -1.61263
  H       4.14860       -2.99742       -1.81309
  C      -2.12055       -4.05798       -1.31806
  C       3.42797       -2.86221       -0.99946
  H       3.69209        2.90589        0.00158
  H       4.27233       -0.27217       -1.59117
  H      -6.05364       -2.66677       -0.78989
  Nb      0.04962       -1.12320       -0.15533
  H       2.88699       -3.81657       -0.87093
  H      -3.17917       -4.32310       -1.26358
  N      -4.17372       -2.12096        0.00635
  C      -5.65653       -2.11049        0.06256
  H      -6.07143       -1.09236        0.04517
  C       3.80872        2.17036       -0.79200
  H       4.85957        1.86184       -0.83496
  N       2.92718        0.98373       -0.51704
  H       6.02818       -3.08254       -0.52018
  H      -0.84926       -6.37886        0.86177
  N      -1.45998       -4.54730       -0.04940
  N       4.14752       -2.43060        0.18594
  H      -3.52890       -0.42472        1.16100
  C      -3.57223       -1.52848        1.18869
  C      -1.40246       -6.06307       -0.02402
  C       5.41160       -3.18258        0.37635
  H       3.53284        2.61565       -1.75087
  H      -5.98724       -2.61081        0.97593
  C       3.27574        0.45660        0.84797
  H      -2.42025       -6.45585        0.00797
  H       5.23941       -4.25073        0.57192
  C      -2.06891       -4.01288        1.22423
  P      -1.82213       -2.16438        1.50804
  C       3.33743       -2.39568        1.38601
  H       4.30327        0.06808        0.84569
  H       2.74037       -3.30885        1.55436
  P       2.13157       -0.93471        1.42466
  H      -3.13544       -4.24873        1.21053
  H      -4.16966       -1.81258        2.06103
  H      -0.89411       -6.41060       -0.92466
  H       5.96315       -2.75433        1.21681
  H       3.24329        1.29449        1.55449
  H      -1.59008       -4.55096        2.04605
  H       4.00004       -2.26371        2.24760
  C      -1.69224       -2.10842        3.35096
  C       2.01861       -0.65761        3.25203
  H      -1.74310       -1.06904        3.68803
  H      -2.51137       -2.66468        3.81938
  H       1.32965        0.15771        3.48278
  H       3.00527       -0.43510        3.67279
  H      -0.74000       -2.53371        3.67899
  H       1.64810       -1.56929        3.73198
  H       0.56972       -2.88160        0.17047
  H      -0.48745       -4.16980       -0.06095
  H       0.28150        0.25269       -1.49995
  H      -0.93933        0.51467        0.14446
     102
(3b.H4)c
  Nb      1.01831        1.54359        0.24194
  Nb     -0.28078       -0.64124        0.04674
  H       0.82736        5.87687       -1.79966
  C       0.71897        5.26809       -0.89655
  H      -0.32702        5.36122       -0.55929
  P       0.98032        3.47512       -1.47098
  H       2.48631        7.24961       -1.10691
  H       1.33625        7.81764        0.13267
  C       2.13768        7.09839       -0.08252
  N       1.69376        5.69001        0.08181
  H       2.97619        7.29053        0.59075
  H       0.33374        5.52300        1.73531
  C       1.38349        5.33633        1.45192
  H       2.01366        5.92976        2.12160
  H       3.95736        4.13514        0.75898
  P       1.76855        3.52650        1.85516
  C       3.42607        3.21345        1.02484
  C       2.08222        3.53785        3.67223
  H       2.87315        4.24987        3.93041
  H       1.16426        3.82955        4.19304
  H       2.36912        2.54097        4.01842
  H      -0.53193        3.75413       -3.36454
  C       0.52091        3.47411       -3.25502
  H       0.67248        2.47904       -3.68217
  H       1.12707        4.19900       -3.80962
  H       3.11537        2.62665       -2.30471
  C       2.83777        3.19252       -1.41223
  H       3.38947        4.13965       -1.40442
  H       4.19437        0.88814       -1.35276
  N       3.18265        2.35736       -0.19960
  C       4.39426        1.53098       -0.49350
  H       4.62887        0.90884        0.37318
  H       5.25530        2.17338       -0.71281
  H       4.05369        2.64241        1.71501
  H      -3.73155       -1.68134        3.48117
  H      -2.21665       -0.77166        3.72537
  H      -2.17184       -2.51450        3.37012
  C      -2.69103       -1.57578        3.15539
  H      -3.97784        0.65941        2.12922
  H      -4.26480       -3.00385        1.31187
  P      -2.60126       -1.22840        1.34232
  C      -3.91969        0.10983        1.18625
  C      -3.51604       -2.69283        0.57610
  H      -2.78049       -3.50456        0.46858
  H      -4.88988       -0.34537        0.97320
  H      -6.03804       -3.21387       -0.08473
  N      -3.66360        1.14207        0.10873
  C      -5.35293       -3.23571       -0.93562
  N      -4.20155       -2.33793       -0.65983
  H      -5.04358       -4.27517       -1.11438
  C      -3.32266       -2.21456       -1.81139
  H      -5.89201       -2.87236       -1.81396
  C      -3.66963        0.60670       -1.30607
  P      -2.30751       -0.62193       -1.76695
  H      -2.63036       -3.06447       -1.93767
  H      -4.64224        0.13629       -1.46802
  H      -3.93728       -2.15906       -2.71620
  H      -3.57737        1.47654       -1.96101
  C      -2.09198       -0.19650       -3.55332
  H      -1.50150       -0.96999       -4.05080
  H      -3.06120       -0.12478       -4.05900
  H      -4.57059        2.70589        1.24658
  C      -4.64677        2.29164        0.24011
  H      -4.40158        3.05375       -0.50105
  H      -5.65533        1.91248        0.06693
  H      -1.56022        0.75400       -3.64896
  H       1.22878       -3.67298       -3.54221
  C       0.66970       -2.80684       -3.17143
  H       3.10897       -1.67161       -1.36072
  H      -0.34730       -4.77392       -1.45914
  N       3.17668       -3.23776        0.10995
  H       1.24698       -5.01702       -0.72496
  H       4.73782       -4.32900        1.01413
  H       3.36387       -1.34948        1.11833
  N      -0.33186       -4.35305        0.58070
  H       3.44834       -2.81369        2.12038
  H       1.44262       -4.63673        1.76520
  C       0.54740       -3.99574        1.69815
  H      -1.48974       -5.65879        1.78011
  H      -0.01834       -4.12503        2.62684
  H       1.80325       -0.83824        3.59179
  H       0.22003       -1.58158        3.87945
  H       1.05816       -1.90763       -3.65887
  H       3.11354       -3.34303       -1.95800
  C       2.74304       -2.69414       -1.15798
  H       4.57783       -4.57205       -0.72896
  P       0.86321       -2.67916       -1.33681
  H       5.31515       -3.07100       -0.11066
  C       4.53304       -3.82448        0.06674
  C       0.35183       -4.37291       -0.71803
  C       2.95863       -2.37317        1.24528
  H      -1.63203       -5.93156        0.03257
  C      -0.93493       -5.68504        0.83813
  H      -0.18189       -6.48442        0.90128
  P       1.13318       -2.21381        1.68380
  C       1.21799       -1.75475        3.47092
  H       1.70083       -2.55580        4.04099
  H      -0.38018       -2.93950       -3.44535
  H      -0.90230        1.21375        0.02035
  H       1.22859        0.09078       -0.93732
  H       0.15634        0.47404        1.59371
  H      -2.71051        1.50882        0.27301
     102
(3b.H4)d
  Nb      1.04636        1.49366        0.02507
  Nb     -0.11005       -0.79532        0.00901
  H       0.92419        5.91846       -2.02738
  C       0.60241        5.30418       -1.18013
  H      -0.49953        5.34079       -1.14431
  P       1.09687        3.53624       -1.63262
  H       2.12247        7.47412       -0.88641
  H       0.64184        7.84127        0.03815
  C       1.55303        7.22941        0.01321
  N       1.25494        5.77314        0.02012
  H       2.16993        7.47300        0.88128
  H      -0.43633        5.34044        1.27371
  C       0.66595        5.30312        1.25191
  H       1.03196        5.91563        2.08228
  H       3.44799        4.40800        1.08693
  P       1.17853        3.53263        1.67727
  C       3.00179        3.41452        1.22127
  C       1.05735        3.43903        3.51136
  H       1.69008        4.20232        3.97734
  H       0.01955        3.61511        3.81335
  H       1.36263        2.45167        3.86783
  H      -0.18408        3.61220       -3.69896
  C       0.86936        3.43820       -3.45607
  H       1.15634        2.45032       -3.82619
  H       1.47290        4.20125       -3.95972
  H       3.42382        2.90804       -2.11920
  C       2.94050        3.42203       -1.28406
  H       3.39938        4.41225       -1.17134
  H       4.56607        1.31422       -0.96655
  N       3.13980        2.58748       -0.03846
  C       4.48787        1.93697       -0.07301
  H       4.61033        1.30948        0.81222
  H       5.28175        2.69265       -0.09076
  H       3.53301        2.90078        2.02699
  H      -3.18429       -0.62116        3.80470
  H      -1.45788       -0.18775        3.73686
  H      -1.96504       -1.89851        3.74771
  C      -2.21050       -0.89714        3.38442
  H      -3.35125        1.24642        2.06782
  H      -4.12565       -2.43742        2.05559
  P      -2.33824       -0.89049        1.54127
  C      -3.48995        0.56533        1.22215
  C      -3.42981       -2.39339        1.21057
  H      -2.79702       -3.29580        1.24743
  H      -4.51029        0.15058        1.28513
  H      -6.03484       -2.79426        0.86459
  N      -3.23922        1.30991       -0.00024
  C      -5.44049       -3.04834       -0.01645
  N      -4.19388       -2.24821       -0.00983
  H      -5.24869       -4.13098       -0.01635
  C      -3.41826       -2.39060       -1.22321
  H      -6.02654       -2.79307       -0.90269
  C      -3.48144        0.56786       -1.22581
  P      -2.32530       -0.88564       -1.54191
  H      -2.78406       -3.29212       -1.25555
  H      -4.50056        0.15132       -1.29581
  H      -4.10616       -2.43408       -2.07469
  H      -3.33910        1.25115       -2.06909
  C      -2.18544       -0.88640       -3.38437
  H      -1.93635       -1.88629       -3.74929
  H      -3.15665       -0.61003       -3.81034
  H      -3.69956        3.16668        0.88911
  C      -3.97351        2.59364       -0.00119
  H      -3.69271        3.16940       -0.88764
  H      -5.06548        2.46191       -0.00570
  H      -1.43104       -0.17537       -3.72955
  H       1.62046       -3.33501       -3.83831
  C       1.15922       -2.44389       -3.39846
  H       3.42186       -1.81249       -1.21768
  H      -0.25889       -4.54014       -2.07125
  N       3.21322       -3.55253        0.01787
  H       1.22164       -5.05136       -1.24400
  H       4.46919       -4.99666        0.90510
  H       3.41100       -1.81562        1.25974
  N      -0.40544       -4.37572        0.00236
  H       3.35404       -3.39080        2.07713
  H       1.21062       -5.05569        1.26062
  C       0.38975       -4.31979        1.23781
  H      -1.85044       -5.65279        0.88111
  H      -0.27668       -4.54617        2.07669
  H       1.73451       -1.58400        3.70043
  H       0.13201       -2.33620        3.83456
  H       1.76104       -1.57091       -3.66967
  H       3.36989       -3.38535       -2.03987
  C       2.96751       -2.81907       -1.19397
  H       4.47553       -4.99510       -0.86292
  P       1.11702       -2.62237       -1.56217
  H       5.35998       -3.72685        0.02537
  C       4.45746       -4.35397        0.02160
  C       0.40029       -4.31589       -1.22610
  C       2.95766       -2.82257        1.22974
  H      -1.84293       -5.65006       -0.89260
  C      -1.20800       -5.62672       -0.00301
  H      -0.57895       -6.52890       -0.00174
  P       1.10424       -2.62759        1.58482
  C       1.13373       -2.45543        3.42198
  H       1.59124       -3.34855        3.86167
  H       0.16020       -2.32404       -3.81744
  H      -0.83796        1.01803        0.00405
  H       1.86222       -0.18057        0.02106
  H       0.44452        0.40350       -1.43891
  H       0.42007        0.40586        1.47075
     102
(3b.H4)e
  Nb     -0.10046        1.80406        0.14823
  Nb     -0.56422       -0.55362       -0.19607
  H       1.91500        5.30451       -2.00592
  C       1.43125        4.84016       -1.14047
  H       0.35080        5.05950       -1.22491
  P       1.67199        2.96756       -1.35855
  H       3.05507        6.92726       -0.94222
  H       1.51594        7.44486       -0.20567
  C       2.39967        6.80423       -0.07671
  N       2.04262        5.36798        0.06887
  H       2.94604        7.13103        0.81114
  H       0.21626        5.40319        1.20610
  C       1.28405        5.12557        1.28735
  H       1.70944        5.73721        2.08968
  H       3.76799        3.99130        1.63997
  P       1.38290        3.32998        1.86514
  C       3.23974        3.03905        1.72724
  C       1.17874        3.47971        3.69862
  H       1.92535        4.15489        4.13028
  H       0.18575        3.88626        3.91837
  H       1.26220        2.49739        4.17275
  H       0.88309        3.10040       -3.65214
  C       1.82973        2.80193       -3.19028
  H       2.03117        1.76398       -3.46580
  H       2.62630        3.44364       -3.58183
  H       3.98459        2.14155       -1.52311
  C       3.47234        2.79462       -0.81235
  H       3.96000        3.77212       -0.80222
  H       5.40480        1.08817       -0.07516
  N       3.67751        2.17637        0.55776
  C       5.12874        1.76598        0.73364
  H       5.24151        1.26949        1.69854
  H       5.75116        2.66176        0.69914
  H       3.57572        2.52303        2.63013
  H      -3.30972        0.45732        3.78608
  H      -1.90307        1.39218        3.21093
  H      -1.67858       -0.24732        3.83656
  C      -2.35146        0.39445        3.25921
  H      -4.04455        1.64658        1.44734
  H      -4.02021       -1.79384        2.84455
  P      -2.55166       -0.32152        1.56177
  C      -4.04433        0.67459        0.94626
  C      -3.43658       -1.95945        1.93280
  H      -2.66730       -2.71572        2.16675
  H      -4.96903        0.14532        1.18773
  H      -5.93586       -2.80895        2.18381
  N      -4.06474        0.95911       -0.53947
  C      -5.39998       -3.27754        1.35470
  N      -4.34244       -2.35528        0.86892
  H      -4.99405       -4.24118        1.69440
  C      -3.67571       -2.87130       -0.31962
  H      -6.11527       -3.46110        0.54936
  C      -4.26591       -0.26163       -1.41105
  P      -2.85786       -1.50909       -1.32977
  H      -2.90382       -3.62823       -0.11088
  H      -5.20728       -0.72711       -1.11023
  H      -4.42816       -3.33271       -0.96777
  H      -4.35594        0.10439       -2.43686
  C      -2.89522       -2.16983       -3.05438
  H      -2.28225       -3.07329       -3.10447
  H      -3.91646       -2.43020       -3.35268
  H      -4.88634        2.91598       -0.28213
  C      -5.09576        2.02106       -0.87032
  H      -5.03727        2.24911       -1.93574
  H      -6.08690        1.63688       -0.62342
  H      -2.49605       -1.43064       -3.75500
  H       1.75309       -2.19551       -4.22641
  C       1.18501       -1.42754       -3.69043
  H       3.19006       -0.86907       -1.17482
  H       0.08235       -3.84360       -2.88577
  N       3.10396       -2.81117       -0.26813
  H       1.53652       -4.26144       -1.97168
  H       4.54986       -4.11705        0.53882
  H       2.91736       -1.32541        1.26977
  N      -0.29848       -4.11102       -0.85631
  H       3.02662       -3.01753        1.78978
  H       1.25806       -4.76005        0.48435
  C       0.33799       -4.15270        0.46841
  H      -1.54386       -5.76424       -0.40459
  H      -0.37029       -4.61726        1.16256
  H       0.97587       -1.85706        3.54698
  H      -0.48819       -2.83069        3.29132
  H       1.69610       -0.46857       -3.81076
  H       3.42684       -2.26971       -2.24028
  C       2.86392       -1.91185       -1.37226
  H       4.72983       -3.78939       -1.18773
  P       1.04721       -1.85642       -1.89603
  H       5.22781       -2.55872        0.00209
  C       4.48229       -3.33781       -0.22407
  C       0.60074       -3.68014       -1.93558
  C       2.61585       -2.36233        1.01535
  H      -1.35867       -5.42571       -2.13596
  C      -0.83336       -5.45789       -1.17732
  H      -0.04389       -6.22134       -1.24223
  P       0.73396       -2.46581        1.18679
  C       0.56305       -2.71800        3.01184
  H       1.10250       -3.61739        3.32821
  H       0.19274       -1.34340       -4.14147
  H       1.01555        0.42722        0.58240
  H      -1.11866        1.06591       -1.29580
  H       3.09335        1.32584        0.58497
  H      -3.12293        1.32155       -0.77943
     102
(3b.H4)f
  Nb      1.01200        1.25077       -0.01988
  H       0.69676        2.69268        3.67134
  H      -0.81354        1.76471        3.71319
  C      -0.35320        2.69343        3.36307
  H      -0.86436        3.53748        3.83876
  H       0.64015        4.92126        2.03976
  P      -0.47855        2.77937        1.52002
  H      -2.75307        3.46032        2.06775
  C      -0.02805        4.59963        1.23659
  H       1.72137        6.54468       -0.97855
  H      -0.93817        5.20280        1.26681
  C      -2.33574        2.90198        1.22307
  C       1.13442        6.37143       -0.07528
  H      -4.16139        4.79878        0.89142
  H      -2.75305        1.88211        1.26423
  H       0.25273        7.01450       -0.06929
  N       0.68453        4.92134       -0.05629
  C      -4.03229        4.16457        0.01092
  N      -2.65496        3.61678       -0.00242
  H       1.74545        6.56088        0.80857
  H      -4.80042        3.37724        0.02755
  C      -0.06368        4.57685       -1.32298
  H      -0.97509        5.17848       -1.33784
  H      -4.18426        4.78380       -0.87655
  C      -2.36700        2.88209       -1.22433
  H      -2.78791        1.86319       -1.23796
  P      -0.51745        2.75081       -1.56215
  H       0.58194        4.88514       -2.14946
  H      -2.80410        3.42797       -2.06714
  C      -0.43486        2.63449       -3.40604
  H      -0.95685        3.47079       -3.88361
  H       0.60760        2.62808       -3.73894
  H      -0.90341        1.70074       -3.73026
  H      -1.81822       -0.68746       -3.74424
  H       1.75241       -0.48725       -3.74557
  H      -0.78811       -2.12884       -3.76144
  H       1.75416       -2.26535       -3.73640
  C      -1.73535       -1.72213       -3.39815
  C       2.28993       -1.37316       -3.39667
  H      -2.56118       -2.29572       -3.83212
  H       3.28946       -1.38991       -3.84497
  H      -4.15401       -1.47368       -2.05224
  P      -1.78729       -1.75643       -1.54671
  H       3.66271        0.66331       -2.02182
  P       2.40437       -1.38119       -1.55037
  C      -3.54003       -1.13628       -1.21045
  H      -3.53320       -0.03305       -1.23814
  H      -1.64098       -4.15708       -2.09539
  C       3.67570       -0.05384       -1.19542
  H       4.06000       -3.07779       -2.08008
  C      -2.11020       -3.60388       -1.27775
  C       3.36821       -2.97003       -1.23819
  H       4.15527        2.46045        1.00344
  H       4.67733       -0.50126       -1.15217
  H      -5.97585       -2.12438       -0.86575
  Nb      0.35874       -0.95363        0.00479
  H       2.65639       -3.81444       -1.28705
  H      -3.18583       -3.79215       -1.29015
  N      -4.10601       -1.68105        0.01309
  C      -5.58682       -1.61320        0.01835
  H      -5.96246       -0.57916        0.02189
  C       4.34447        1.86291        0.10984
  H       5.37936        1.50084        0.13531
  N       3.38870        0.70359        0.06716
  H       5.89129       -3.70561       -0.90151
  H      -1.21246       -6.10948        0.88046
  N      -1.56060       -4.19712       -0.00252
  N       4.14282       -2.92393       -0.01145
  H      -3.51568       -0.03739        1.26283
  C      -3.53089       -1.14071        1.23426
  C      -1.69628       -5.70709       -0.01082
  C       5.26553       -3.89139       -0.02525
  H       4.20709        2.48657       -0.77451
  H      -5.97016       -2.12842        0.90259
  C       3.65408       -0.11598        1.29380
  H      -2.75636       -5.96643       -0.01163
  H       4.92196       -4.93619       -0.04964
  C      -2.11027       -3.61767        1.27889
  P      -1.78100       -1.77454        1.56702
  C       3.35003       -3.02589        1.20119
  H       4.65673       -0.56012        1.24541
  H       2.64189       -3.87482        1.20144
  P       2.37902       -1.45385        1.56541
  H      -3.18668       -3.80184        1.28683
  H      -4.14397       -1.47410        2.07821
  H      -1.21348       -6.09953       -0.90705
  H       5.88010       -3.74327        0.86598
  H       3.62439        0.56047        2.15280
  H      -1.64509       -4.18206        2.09118
  H       4.03019       -3.16988        2.04716
  C      -1.73203       -1.75313        3.41862
  C       2.23483       -1.52563        3.40782
  H      -1.78414       -0.71809        3.76992
  H      -2.57547       -2.30457        3.84740
  H       1.68696       -0.65807        3.78481
  H       3.22747       -1.55439        3.87053
  H      -0.79860       -2.18985        3.78250
  H       1.70083       -2.43494        3.70148
  H       0.45370       -2.72767       -0.03939
  H      -0.55285       -3.94448       -0.00322
  H       1.91846        2.75308       -0.11371
  H       1.52253        4.31223       -0.06477
     104
3b.H6
  Nb     -1.19231       -1.19339        0.00003
  H      -2.49232       -1.24313       -3.63828
  H      -1.86488        0.42550       -3.55240
  C      -2.72742       -0.21775       -3.32275
  H      -3.60520        0.15528       -3.87174
  H      -4.73496       -1.81550       -2.10416
  P      -3.00637       -0.17065       -1.51700
  H      -4.19951        1.86797       -2.07108
  C      -4.61019       -1.10815       -1.27300
  H      -5.94465       -3.39550        0.90136
  H      -5.45336       -0.40391       -1.26881
  C      -3.57113        1.58356       -1.21340
  C      -5.94487       -2.76856        0.00107
  H      -5.90172        2.82387       -0.88853
  H      -2.66514        2.22854       -1.24192
  H      -6.81962       -2.10585        0.00107
  N      -4.69435       -1.91354        0.00073
  C      -5.25635        2.86357       -0.00003
  N      -4.34367        1.70678        0.00001
  H      -5.94491       -3.39585       -0.89897
  H      -4.71560        3.82848       -0.00029
  C      -4.60981       -1.10767        1.27412
  H      -5.45297       -0.40341        1.26993
  H      -5.90142        2.82417        0.88871
  C      -3.57070        1.58398        1.21321
  H      -2.66469        2.22894        1.24119
  P      -3.00589       -0.17013        1.51722
  H      -4.73434       -1.81470        2.10560
  H      -4.19878        1.86871        2.07101
  C      -2.72617       -0.21657        3.32285
  H      -3.60375        0.15659        3.87208
  H      -2.49085       -1.24181        3.63866
  H      -1.86359        0.42684        3.55188
  H      -0.01908        2.35830        3.67710
  H       1.10429       -1.06069        3.66514
  H       1.39463        1.27318        3.78295
  H       2.85185       -0.65869        3.63793
  C       1.04427        2.24549        3.41669
  C       2.09629       -1.40101        3.33995
  H       1.61025        3.04923        3.91280
  H       2.33830       -2.35254        3.83793
  H       0.91074        4.69164        2.06347
  P       1.22969        2.35561        1.59855
  H       0.37756       -3.19683        2.09435
  P       2.11960       -1.60993        1.51971
  C       0.59904        4.06708        1.21263
  H      -0.51314        4.03477        1.22769
  H       3.56123        1.90440        2.07358
  C       1.05608       -3.11325        1.23594
  H       4.03618       -2.95793        2.07049
  C       3.04864        2.40103        1.23715
  C       3.83227       -2.29468        1.21578
  H      -1.23447       -4.35169       -0.89759
  H       1.70997       -4.00068        1.21361
  H       1.84055        6.39671        0.88756
  Nb      1.05558        0.27193       -0.00005
  H       4.56599       -1.46576        1.27983
  H       3.44670        3.42696        1.15471
  N       1.15851        4.60635        0.00033
  C       1.27781        6.07495        0.00037
  H       0.29488        6.58167        0.00117
  C      -0.60611       -4.32607        0.00032
  H       0.05102       -5.21101        0.00031
  N       0.21878       -3.07410        0.00014
  H       4.91478       -4.69447        0.88850
  H       4.90862        0.54957       -0.89646
  N       3.29669        1.60216       -0.00142
  N       3.90345       -3.06741       -0.00018
  H      -0.51496        4.03491       -1.22462
  C       0.59724        4.06729       -1.21123
  C       4.70798        1.15194       -0.00248
  C       4.99829       -4.05369       -0.00033
  H      -1.23428       -4.35156        0.89837
  H       1.83921        6.39688       -0.88760
  C       1.05589       -3.11349       -1.23578
  H       5.39500        2.01536       -0.00249
  H       5.99699       -3.57876       -0.00049
  C       3.04690        2.40145       -1.23938
  P       1.22747        2.35594       -1.59825
  C       3.83195       -2.29470       -1.21613
  H       1.70988       -4.00084       -1.21333
  H       4.56560       -1.46576       -1.28035
  P       2.11915       -1.61008       -1.51973
  H       3.44491        3.42740       -1.15711
  H       0.90763        4.69201       -2.06244
  H       4.90968        0.54869        0.89066
  H       4.91452       -4.69450       -0.88911
  H       0.37728       -3.19731       -2.09409
  H       3.55842        1.90518       -2.07668
  H       4.03567       -2.95796       -2.07088
  C       1.03949        2.24569       -3.41611
  C       2.09552       -1.40079       -3.33992
  H      -0.02425        2.35824       -3.67502
  H       1.60458        3.04951       -3.91312
  H       1.10319       -1.06123       -3.66490
  H       2.33829       -2.35198       -3.83819
  H       1.38957        1.27341       -3.78274
  H       2.85038       -0.65772       -3.63780
  H       0.11614       -0.35785       -1.40154
  H      -0.76567        0.66073        0.00012
  H       0.11626       -0.35815        1.40134
  H      -1.64901       -2.11152       -1.46880
  H      -3.88909       -2.55832        0.00075
  H      -1.64906       -2.11128        1.46900
     104
(3b.H6)b
  Nb      0.81905        1.46747       -0.00020
  H       0.43894        2.48577        3.74095
  H      -1.30939        2.15824        3.64693
  C      -0.52096        2.87354        3.39230
  H      -0.73664        3.81659        3.90636
  H       1.45827        4.50876        2.06978
  P      -0.47002        3.14205        1.57218
  H      -2.38735        4.52428        2.05888
  C       0.75225        4.49789        1.23529
  H       3.38386        4.53697       -0.89057
  H       0.28455        5.48799        1.16136
  C      -2.16016        3.86692        1.21253
  C       2.81702        4.81783       -0.00095
  H      -3.19767        6.28585        0.87751
  H      -2.90612        3.04771        1.23243
  H       2.68446        5.90819       -0.00164
  N       1.49944        4.12359       -0.00139
  C      -3.28756        5.64831       -0.00539
  N      -2.18957        4.65570       -0.00409
  H       3.38274        4.53798        0.88970
  H      -4.28260        5.17837       -0.00572
  C       0.75386        4.49637       -1.23950
  H       0.28608        5.48657       -1.16741
  H      -3.19657        6.28476       -0.88896
  C      -2.15858        3.86550       -1.21975
  H      -2.90457        3.04632       -1.23970
  P      -0.46801        3.14013       -1.57628
  H       1.46096        4.50619       -2.07308
  H      -2.38460        4.52187       -2.06718
  C      -0.51653        2.86933       -3.39613
  H      -0.73184        3.81166       -3.91166
  H       0.44390        2.48139       -3.74305
  H      -1.30454        2.15356       -3.65087
  H      -1.67788       -0.93857       -3.76856
  H       1.40863       -0.93186       -3.70892
  H      -1.06220       -2.60007       -3.78474
  H       1.54706       -2.70881       -3.68399
  C      -1.87406       -1.95997       -3.42885
  C       2.02070       -1.77203       -3.37295
  H      -2.81698       -2.30143       -3.86943
  H       3.00367       -1.71773       -3.85383
  H      -4.17990       -1.09399       -2.06596
  P      -1.95428       -1.96812       -1.58291
  H       3.27646        0.37323       -2.08862
  P       2.20917       -1.73198       -1.53955
  C      -3.49988       -0.92998       -1.22386
  H      -3.19834        0.13058       -1.23864
  H      -2.36126       -4.35152       -2.09690
  C       3.36788       -0.29807       -1.23256
  H       3.96785       -3.31835       -2.06295
  C      -2.67613       -3.69172       -1.28381
  C       3.28167       -3.24462       -1.21227
  H       3.91765        2.24365        0.89289
  H       4.39478       -0.68328       -1.18979
  H      -6.08669       -1.44095       -0.88780
  Nb      0.10865       -1.19381        0.00103
  H       2.63652       -4.14446       -1.24408
  H      -3.76720       -3.63570       -1.27514
  N      -4.16904       -1.33737       -0.00211
  C      -5.61611       -1.00425       -0.00355
  H      -5.79881        0.07976       -0.00472
  C       4.06720        1.63483        0.00171
  H       5.09199        1.24402        0.00252
  N       3.07515        0.50368        0.00176
  H       5.84872       -3.82409       -0.87812
  H      -2.42319       -6.32924        0.89912
  N      -2.26938       -4.38937        0.00242
  N       4.06226       -3.12400        0.00433
  H      -3.20032        0.13301        1.23311
  C      -3.50178       -0.92760        1.21990
  C      -2.78827       -5.82422        0.00347
  C       5.23899       -4.02732        0.00553
  H       3.91869        2.24266       -0.89032
  H      -6.08809       -1.43928        0.88077
  C       3.36642       -0.29669        1.23731
  H      -3.87902       -5.79707        0.00271
  H       4.95407       -5.08964        0.00592
  C      -2.67798       -3.68918        1.28671
  P      -1.95667       -1.96494        1.58336
  C       3.28017       -3.24334        1.22007
  H       4.39338       -0.68192        1.19616
  H       2.63488       -4.14308        1.25198
  P       2.20737       -1.73028        1.54453
  H      -3.76904       -3.63328        1.27640
  H      -4.18309       -1.09004        2.06125
  H      -2.42194       -6.33099       -0.89065
  H       5.84762       -3.82315        0.88973
  H       3.27399        0.37557        2.09252
  H      -2.36418       -4.34732        2.10155
  H       3.96528       -3.31629        2.07167
  C      -1.87919       -1.95295        3.42941
  C       2.01669       -1.76841        3.37774
  H      -1.68359       -0.93081        3.76725
  H      -2.82271       -2.29357        3.86934
  H       1.40430       -0.92782        3.71207
  H       2.99906       -1.71374        3.85981
  H      -1.06776       -2.59218        3.78783
  H       1.54251       -2.70479        3.68915
  H       0.40447       -0.09630        1.42249
  H      -0.83866        0.44054       -0.00053
  H       0.40592       -0.09814       -1.42151
  H       1.54826        1.82845        1.56899
  H       1.55018        1.82657       -1.56895
  H      -1.24472       -4.44744        0.00322
     104
(3b.H6)c
  Nb      0.94251        1.30955       -0.06998
  H       0.65560        2.40353        3.78389
  H      -0.94496        1.65529        3.59262
  C      -0.35933        2.56041        3.40830
  H      -0.82021        3.39102        3.95368
  H       1.05443        4.75489        2.46868
  P      -0.31204        2.89921        1.59474
  H      -2.52042        3.83099        2.05756
  C       0.44773        4.62541        1.56923
  H       2.84764        6.29395       -0.22971
  H      -0.33518        5.38632        1.54429
  C      -2.09897        3.33195        1.17879
  C       2.14489        6.17313        0.59612
  H      -3.56378        5.54105        0.99499
  H      -2.65045        2.38588        1.03519
  H       1.43938        7.00537        0.61595
  N       1.36846        4.88149        0.39615
  C      -3.46223        5.01020        0.04534
  N      -2.19405        4.24164        0.04644
  H       2.68506        6.11348        1.54214
  H      -4.34338        4.36790       -0.09771
  C       0.69145        4.87845       -0.96096
  H      -0.06725        5.66485       -0.94274
  H      -3.43510        5.75291       -0.75571
  C      -1.92491        3.62921       -1.24303
  H      -2.48357        2.69292       -1.42123
  P      -0.09741        3.24199       -1.49003
  H       1.46087        5.14530       -1.69017
  H      -2.20472        4.33634       -2.03094
  C       0.10955        3.30075       -3.32456
  H      -0.23676        4.25681       -3.73180
  H       1.15836        3.15336       -3.59812
  H      -0.47924        2.49484       -3.77361
  H      -2.05542       -0.94326       -3.84615
  H       1.18720       -1.54943       -3.86087
  H      -1.22454       -2.50964       -3.87136
  H       1.27652       -3.28834       -3.48206
  C      -2.10300       -1.97913       -3.49624
  C       1.78213       -2.32396       -3.37001
  H      -3.00536       -2.44405       -3.90703
  H       2.75734       -2.39403       -3.86444
  H      -4.46213       -1.44468       -2.09390
  P      -2.12828       -1.99161       -1.64786
  H       3.02225        0.02788       -2.57875
  P       1.99225       -1.93435       -1.57599
  C      -3.78776       -1.17092       -1.27605
  H      -3.63501       -0.07731       -1.32617
  H      -2.14741       -4.40917       -2.10848
  C       3.21425       -0.51031       -1.64651
  H       3.73019       -3.61874       -1.80688
  C      -2.55008       -3.79716       -1.29732
  C       3.02735       -3.39011       -0.99859
  H       4.16438        2.27353       -0.00763
  H       4.23434       -0.91320       -1.69290
  H      -6.29623       -1.92381       -0.85682
  Nb     -0.04349       -1.14573       -0.13982
  H       2.33980       -4.25093       -0.90339
  H      -3.63350       -3.93209       -1.25357
  N      -4.37756       -1.62100       -0.02568
  C      -5.84608       -1.41905        0.00141
  H      -6.12590       -0.35566       -0.02718
  C       4.14689        1.54903       -0.82217
  H       5.14515        1.10626       -0.92351
  N       3.12579        0.48829       -0.52533
  H       5.53625       -4.07525       -0.48421
  H      -1.58597       -6.22459        0.92315
  N      -1.96770       -4.34661       -0.01560
  N       3.78795       -3.11588        0.20587
  H      -3.57205       -0.00565        1.14311
  C      -3.73080       -1.09908        1.16746
  C      -2.08641       -5.85700        0.02602
  C       4.89713       -4.07751        0.40225
  H       3.89211        2.04794       -1.76146
  H      -6.25640       -1.86691        0.90979
  C       3.47899       -0.15030        0.78907
  H      -3.14314       -6.12912        0.04673
  H       4.53963       -5.10247        0.57892
  C      -2.52460       -3.72890        1.24389
  P      -2.06525       -1.91721        1.50619
  C       2.98194       -2.93576        1.39432
  H       4.37666       -0.77104        0.66839
  H       2.21527       -3.71456        1.54328
  P       2.09313       -1.25635        1.42671
  H      -3.61087       -3.84120        1.22070
  H      -4.36905       -1.31812        2.02965
  H      -1.60958       -6.27220       -0.86317
  H       5.50140       -3.76279        1.25658
  H       3.67567        0.64166        1.51245
  H      -2.11877       -4.30761        2.07728
  H       3.64471       -2.94135        2.26562
  C      -1.95263       -1.86380        3.35166
  C       2.05401       -0.91246        3.24387
  H      -1.89971       -0.82356        3.68617
  H      -2.82933       -2.33062        3.81352
  H       1.61337        0.06925        3.43004
  H       3.06375       -0.94627        3.66688
  H      -1.05244       -2.38310        3.69146
  H       1.44736       -1.67026        3.74975
  H      -0.83463        0.61419        0.10293
  H       0.41469        0.05790       -1.54118
  H       0.22986       -2.95075        0.24791
  H      -0.95690       -4.08211       -0.01579
  H       2.04206        4.09810        0.41151
  H       2.06001        2.19410        1.09798
     104
(3b.H6)d
  Nb      0.50060        1.52814       -0.00161
  Nb     -0.53196       -0.80160        0.00273
  H       1.46136        5.69069       -2.07269
  C       1.16623        5.05120       -1.23465
  H       0.06136        5.01579       -1.23632
  P       1.81926        3.31706       -1.63736
  H       2.24564        7.44881       -0.89853
  H       0.69801        7.49621       -0.01521
  C       1.71763        7.08589       -0.01367
  N       1.73098        5.59833       -0.00984
  H       2.24490        7.45331        0.86979
  H       0.05870        5.02279        1.21625
  C       1.16355        5.05765        1.21660
  H       1.45733        5.70125        2.05199
  H       3.88679        4.63520        1.25006
  P       1.81443        3.32523        1.62960
  C       3.65299        3.56859        1.28438
  C       1.80053        3.28145        3.47568
  H       2.37849        4.10683        3.90462
  H       0.76527        3.36481        3.82198
  H       2.20366        2.32914        3.83236
  H       0.77701        3.34430       -3.83329
  C       1.81116        3.26348       -3.48312
  H       2.21595        2.30943       -3.83321
  H       2.39011        4.08681       -3.91470
  H       4.22233        3.09736       -2.09802
  C       3.65660        3.56379       -1.28743
  H       3.88869        4.63083       -1.25552
  H       6.09416        2.52950       -0.89009
  N       4.19567        2.96275        0.00036
  C       5.71827        3.03109        0.00277
  H       6.09063        2.53401        0.89962
  H       6.01750        4.08039        0.00075
  H       4.21544        3.10410        2.09832
  H      -3.65783       -0.89396        3.82741
  H      -1.97914       -0.28367        3.78583
  H      -2.30767       -2.03203        3.80160
  C      -2.65310       -1.06522        3.42544
  H      -3.92670        0.96553        2.09749
  H      -4.40246       -2.74881        2.07375
  P      -2.68607       -1.09740        1.57593
  C      -3.97751        0.24661        1.27632
  C      -3.71850       -2.63923        1.22573
  H      -3.03746       -3.50579        1.22650
  H      -4.97467       -0.19875        1.24370
  H      -6.28755       -3.22599        0.89452
  N      -3.79581        1.04115        0.00400
  C      -5.67763       -3.42542        0.00995
  N      -4.50557       -2.51493        0.00801
  H      -5.38862       -4.48624        0.01089
  C      -3.72132       -2.64117       -1.21127
  H      -6.28877       -3.22807       -0.87422
  C      -3.97918        0.24479       -1.26689
  P      -2.68887       -1.10059       -1.56601
  H      -3.04096       -3.50828       -1.21261
  H      -4.97671       -0.19956       -1.23257
  H      -4.40732       -2.75124       -2.05759
  H      -3.92856        0.96241       -2.08922
  C      -2.65902       -1.07249       -3.41571
  H      -2.31235       -2.03955       -3.79014
  H      -3.66476       -0.90408       -3.81643
  H      -4.49906        2.84706        0.89895
  C      -4.70026        2.25665        0.00371
  H      -4.49989        2.84603       -0.89244
  H      -5.73891        1.92170        0.00452
  H      -1.98710       -0.29057       -3.77909
  H       1.38580       -3.21692       -3.82424
  C       0.83034       -2.37611       -3.39485
  H       3.03238       -1.52471       -1.23970
  H      -0.40112       -4.54200       -2.06671
  N       2.98878       -3.27243        0.00552
  H       1.12377       -4.92542       -1.25179
  H       4.49497       -4.45057        0.89080
  H       3.03201       -1.52063        1.24500
  N      -0.54848       -4.41173        0.00768
  H       3.10475       -3.09532        2.06482
  H       1.12281       -4.92224        1.26985
  C       0.24091       -4.26120        1.23924
  H      -1.83393       -5.84020        0.89712
  H      -0.40219       -4.53489        2.08251
  H       1.32399       -1.43470        3.69590
  H      -0.17599       -2.36900        3.82114
  H       1.32379       -1.44424       -3.68804
  H       3.10373       -3.10213       -2.05446
  C       2.65646       -2.56723       -1.21059
  H       4.49467       -4.45329       -0.87651
  P       0.80240       -2.50755       -1.55086
  H       5.13025       -3.03931        0.00488
  C       4.35685       -3.82396        0.00620
  C       0.24137       -4.26492       -1.22409
  C       2.65673       -2.56346        1.21948
  H      -1.83466       -5.84238       -0.87722
  C      -1.20237       -5.74309        0.00958
  H      -0.47622       -6.56990        0.01031
  P       0.80288       -2.50316        1.56067
  C       0.83181       -2.36774        3.40435
  H       1.38870       -3.20707        3.83474
  H      -0.17774       -2.37634       -3.81107
  H       1.03961        0.14592       -1.02474
  H      -0.89034        0.99601        1.09501
  H       1.04444        0.14820        1.02176
  H      -0.89252        0.99509       -1.09385
  H      -2.81212        1.36253        0.00310
  H       3.94070        1.96708        0.00175
     104
(3b.H6)e
  Nb      0.13669        2.26643        0.54152
  H      -1.89472        2.32466        3.94978
  H      -3.39500        1.73941        3.19808
  C      -2.70772        2.58841        3.26705
  H      -3.25920        3.44115        3.67863
  H      -0.73553        4.65625        2.86196
  P      -2.03738        2.99027        1.59560
  H      -4.23146        3.97274        1.29109
  C      -1.06407        4.58868        1.82164
  H       2.16824        5.26464        0.90278
  H      -1.66864        5.47001        1.57825
  C      -3.54353        3.48694        0.59092
  C       1.27782        5.34088        1.53178
  H      -4.70135        5.82260        0.09191
  H      -4.03979        2.56669        0.23296
  H       0.98250        6.39473        1.60013
  N       0.16600        4.53225        0.93566
  C      -4.36156        5.30840       -0.81029
  N      -3.21526        4.42768       -0.46901
  H       1.50853        4.97297        2.53464
  H      -5.20550        4.75298       -1.24330
  C      -0.13522        4.99600       -0.47907
  H      -0.85012        5.82639       -0.46552
  H      -4.03251        6.06644       -1.52506
  C      -2.61443        3.82311       -1.64871
  H      -3.09596        2.87948       -1.96241
  P      -0.77855        3.50334       -1.42371
  H       0.79834        5.33508       -0.93533
  H      -2.70270        4.52300       -2.48621
  C      -0.07946        3.59611       -3.12578
  H      -0.34387        4.54380       -3.60771
  H       1.00940        3.49956       -3.09505
  H      -0.48308        2.77679       -3.72965
  H      -1.91305       -0.64420       -3.51736
  H       1.49709       -1.37913       -3.92788
  H      -0.85165       -2.04519       -3.74665
  H       1.18321       -3.07226       -3.46615
  C      -1.75641       -1.69348       -3.24972
  C       1.90715       -2.25366       -3.41705
  H      -2.60615       -2.28061       -3.61450
  H       2.81719       -2.58260       -3.93041
  H      -4.01068       -1.51631       -1.68689
  P      -1.62736       -1.85475       -1.41684
  H       3.86459       -0.37665       -2.81567
  P       2.27509       -1.86723       -1.65131
  C      -3.31497       -1.18684       -0.90810
  H      -3.27030       -0.08127       -0.95051
  H      -1.39194       -4.19523       -2.02017
  C       3.87519       -0.88921       -1.85038
  H       3.47716       -3.96409       -1.88663
  C      -1.78383       -3.70438       -1.12303
  C       2.95503       -3.50925       -1.03819
  H       5.41208        1.82466       -0.42587
  H       4.72934       -1.56972       -1.81086
  H      -5.71765       -2.15100       -0.31457
  Nb      0.41306       -0.65968       -0.10695
  H       2.08687       -4.14445       -0.79321
  H      -2.86317       -3.92623       -1.06747
  N      -3.77123       -1.70940        0.36220
  C      -5.23648       -1.63995        0.52300
  H      -5.61099       -0.60451        0.56639
  C       5.30994        1.02442       -1.16065
  H       6.19864        0.39127       -1.14742
  N       4.10319        0.17598       -0.80143
  H       5.29791       -4.73019       -0.74072
  H      -0.30213       -5.99280        0.84616
  N      -1.03176       -4.19004        0.02612
  N       3.90304       -3.35722        0.05559
  H      -3.01232       -0.09470        1.55948
  C      -3.04973       -1.20010        1.50815
  C      -0.94370       -5.66772        0.02266
  C       4.77668       -4.54851        0.20232
  H       5.16338        1.44145       -2.15827
  H      -5.52481       -2.15699        1.44171
  C       4.22411       -0.35052        0.61219
  H      -1.92450       -6.15322        0.13172
  H       4.21379       -5.45193        0.47666
  C      -1.52308       -3.69664        1.30427
  P      -1.28704       -1.84828        1.56650
  C       3.27896       -2.98425        1.31416
  H       5.05939       -1.05516        0.62162
  H       2.42210       -3.62009        1.59630
  P       2.68279       -1.20238        1.29869
  H      -2.59261       -3.90364        1.47290
  H      -3.54409       -1.55872        2.41764
  H      -0.49529       -6.00091       -0.91730
  H       5.52714       -4.35228        0.97210
  H       4.46825        0.50819        1.24269
  H      -0.95658       -4.19290        2.09906
  H       4.02686       -3.05857        2.11103
  C      -0.88945       -1.73789        3.36637
  C       2.80304       -0.71271        3.07712
  H      -0.84539       -0.69516        3.69173
  H      -1.65902       -2.25897        3.94659
  H       2.50058        0.32906        3.21301
  H       3.82633       -0.84562        3.44473
  H       0.07052       -2.21689        3.57424
  H       2.14382       -1.34317        3.67944
  H      -0.89412        0.85815       -0.24364
  H       1.36009        1.03582       -0.41003
  H       0.22826        0.54194        1.40864
  H       0.25295       -0.18978       -1.78981
  H       0.58524       -2.42951        0.14553
  H       3.26485        0.77794       -0.81671
     104
(3b.H6)f
  Nb      0.47599        1.79658        0.00094
  H      -0.02728        2.51305        3.78471
  H      -1.75948        2.12098        3.69788
  C      -1.00131        2.86584        3.43492
  H      -1.24950        3.80235        3.94681
  H       0.91044        4.59958        2.07860
  P      -0.97936        3.10943        1.60954
  H      -2.95744        4.42081        2.06154
  C       0.19880        4.51507        1.25297
  H       2.83931        4.64574       -0.89032
  H      -0.31237        5.47758        1.13047
  C      -2.68629        3.77488        1.21952
  C       2.26284        4.89758        0.00110
  H      -3.70305        6.20486        0.88335
  H      -3.39842        2.92858        1.21727
  H       2.06764        5.97708        0.00093
  N       0.96675        4.14842        0.00085
  C      -3.79934        5.56913       -0.00007
  N      -2.70642        4.56542        0.00018
  H       2.83876        4.64592        0.89293
  H      -4.79696        5.10706       -0.00035
  C       0.19930        4.51470       -1.25172
  H      -0.31207        5.47719       -1.12979
  H      -3.70265        6.20494       -0.88339
  C      -2.68602        3.77466       -1.21900
  H      -3.39825        2.92846       -1.21678
  P      -0.97892        3.10895       -1.60848
  H       0.91133        4.59902       -2.07705
  H      -2.95686        4.42053       -2.06118
  C      -1.00002        2.86462       -3.43375
  H      -1.24850        3.80060       -3.94646
  H      -0.02549        2.51225       -3.78268
  H      -1.75738        2.11893       -3.69669
  H      -1.69259       -1.09515       -3.77886
  H       1.47786       -0.58659       -3.74740
  H      -0.72441       -2.57891       -3.79298
  H       1.74422       -2.34488       -3.72116
  C      -1.65494       -2.13259       -3.43274
  C       2.14163       -1.37915       -3.39250
  H      -2.50287       -2.67486       -3.86470
  H       3.13166       -1.25161       -3.84436
  H      -4.07669       -1.78952       -2.05965
  P      -1.71311       -2.15754       -1.58675
  H       3.30998        0.79693       -2.09545
  P       2.25884       -1.34850       -1.55000
  C      -3.44044       -1.48712       -1.22143
  H      -3.38431       -0.38355       -1.23070
  H      -1.54724       -4.56075       -2.09076
  C       3.41702        0.11407       -1.24671
  H       4.08135       -2.86719       -2.06148
  C      -1.99930       -3.99681       -1.27081
  C       3.38748       -2.81541       -1.21584
  H       4.06127        2.64177        0.89177
  H       4.44379       -0.27430       -1.25119
  H      -5.87094       -2.49217       -0.87977
  Nb      0.14604       -1.04826        0.00197
  H       2.76199       -3.72704       -1.24563
  H      -3.07122       -4.20548       -1.24084
  N      -4.00630       -2.03189        0.00342
  C      -5.48867       -1.97542        0.00393
  H      -5.87096       -0.94413        0.00388
  C       4.19372        2.02717       -0.00059
  H       5.21798        1.63355       -0.00077
  N       3.19039        0.91699        0.00026
  H       5.97163       -3.30614       -0.88179
  H      -0.89988       -6.41521        0.89697
  N      -1.39359       -4.53905        0.00280
  N       4.16178       -2.67288        0.00211
  H      -3.38349       -0.38320        1.23658
  C      -3.43965       -1.48676        1.22771
  C      -1.41280       -6.05712        0.00305
  C       5.37002       -3.53051        0.00241
  H       4.06074        2.64101       -0.89338
  H      -5.87031       -2.49179        0.88809
  C       3.41773        0.11523        1.24788
  H      -2.45001       -6.39632        0.00328
  H       5.12568       -4.60296        0.00283
  C      -1.99848       -3.99645        1.27665
  P      -1.71211       -2.15716        1.59215
  C       3.38788       -2.81420        1.22042
  H       4.44449       -0.27312        1.25195
  H       2.76244       -3.72577        1.25138
  P       2.25950       -1.34688        1.55337
  H      -3.07044       -4.20527        1.24753
  H      -4.07538       -1.78896        2.06640
  H      -0.90015       -6.41546       -0.89089
  H       5.97163       -3.30555        0.88647
  H       3.31123        0.79886        2.09606
  H      -1.54572       -4.56018        2.09631
  H       4.08203       -2.86509        2.06587
  C      -1.65280       -2.13231        3.43803
  C       2.14337       -1.37582        3.39594
  H      -1.68982       -1.09492        3.78431
  H      -2.50063       -2.67430        3.87054
  H       1.47964       -0.58327        3.75092
  H       3.13367       -1.24771        3.84705
  H      -0.72221       -2.57907        3.79755
  H       1.74650       -2.34150        3.72533
  H      -1.06682        0.67233        0.00106
  H       1.39111        0.18017        0.00166
  H       0.20369        0.35734        1.39297
  H       0.20352        0.35549       -1.39012
  H       0.56656       -2.82862        0.00176
  H      -0.40775       -4.21483        0.00252
     106
3b.H8
  Nb      1.33814       -1.03428       -0.00002
  H       2.56081       -0.93736        3.64151
  H       1.88796        0.71528        3.56228
  C       2.76509        0.09448        3.32626
  H       3.63468        0.49161        3.87127
  H       4.86109       -1.38236        2.10418
  P       3.03350        0.15035        1.51829
  H       4.11025        2.25312        2.07103
  C       4.69360       -0.68476        1.27258
  H       6.11552       -2.92041       -0.89908
  H       5.49408        0.06724        1.26255
  C       3.49803        1.93311        1.21425
  C       6.09185       -2.29341        0.00078
  H       5.74316        3.31813        0.88855
  H       2.55929        2.52867        1.24367
  H       6.94252       -1.60002        0.00076
  N       4.81285       -1.48667        0.00051
  C       5.09682        3.31471       -0.00015
  N       4.26232        2.10156       -0.00008
  H       6.11532       -2.92010        0.90086
  H       4.49434        4.24266       -0.00037
  C       4.69387       -0.68521       -1.27188
  H       5.49440        0.06675       -1.26196
  H       5.74342        3.31786       -0.88866
  C       3.49837        1.93276       -1.21458
  H       2.55965        2.52833       -1.24443
  P       3.03388        0.14993       -1.51826
  H       4.86149       -1.38311       -2.10319
  H       4.11083        2.25253       -2.07128
  C       2.76607        0.09357       -3.32631
  H       3.63583        0.49060       -3.87114
  H       2.56193       -0.93836       -3.64136
  H       1.88900        0.71427       -3.56281
  H      -0.62898        1.75100       -3.69394
  H      -0.96648       -1.18441       -3.63021
  H      -2.30590        1.15034       -3.73320
  H      -2.75849       -1.13979       -3.58628
  C      -1.66298        1.97177       -3.39108
  C      -1.86754       -1.72171       -3.30773
  H      -1.98234        2.91029       -3.86926
  H      -1.92241       -2.69382       -3.82151
  H      -0.85596        4.31374       -2.06600
  P      -1.72071        2.10289       -1.56306
  H       0.09710       -3.28896       -2.09435
  P      -1.84888       -1.96462       -1.49166
  C      -0.69526        3.63150       -1.21801
  H       0.37264        3.32542       -1.24040
  H      -4.08791        2.43923       -2.09431
  C      -0.58372       -3.30561       -1.23357
  H      -3.59708       -3.52569       -2.07056
  C      -3.45001        2.76130       -1.26006
  C      -3.46197       -2.85409       -1.20893
  H       1.86749       -4.18423        0.89836
  H      -1.09866       -4.28048       -1.20834
  H      -1.23562        6.21077       -0.88721
  Nb     -1.13830        0.02661       -0.00016
  H      -4.27204       -2.09389       -1.25390
  H      -3.43466        3.85929       -1.22427
  N      -1.08905        4.29921        0.00064
  C      -0.79043        5.74151        0.00108
  H       0.29603        5.95014        0.00152
  C       1.24249       -4.25284        0.00046
  H       0.72490       -5.22599        0.00045
  N       0.24220       -3.13937        0.00022
  H      -4.29157       -5.35876       -0.88893
  H      -6.00370        2.03281        0.89650
  N      -4.08531        2.25437       -0.00099
  N      -3.45258       -3.63887       -0.00014
  H       0.37165        3.32467        1.24224
  C      -0.69618        3.63093        1.21928
  C      -5.57082        2.49057       -0.00159
  C      -4.43978       -4.72948       -0.00026
  H       1.86776       -4.18436       -0.89726
  H      -1.23627        6.21037        0.88924
  C      -0.58397       -3.30531        1.23389
  H      -5.76380        3.57135       -0.00149
  H      -5.48210       -4.35881       -0.00040
  C      -3.45109        2.76089        1.25879
  P      -1.72208        2.10232        1.56314
  C      -3.46230       -2.85406        1.20863
  H      -1.09880       -4.28024        1.20884
  H      -4.27245       -2.09393        1.25340
  P      -1.84936       -1.96442        1.49163
  H      -3.43568        3.85889        1.22335
  H      -0.85731        4.31286        2.06743
  H      -6.00293        2.03312       -0.90021
  H      -4.29181       -5.35873        0.88848
  H       0.09670       -3.28836        2.09479
  H      -4.08973        2.43858        2.09238
  H      -3.59754       -3.52564        2.07025
  C      -1.66598        1.97102        3.39120
  C      -1.86830       -1.72164        3.30772
  H      -0.63230        1.75005        3.69500
  H      -1.98560        2.90958        3.86914
  H      -0.96755       -1.18389        3.63034
  H      -1.92269       -2.69382        3.82140
  H      -2.30937        1.14971        3.73271
  H      -2.75957       -1.14023        3.58626
  H       0.64908        0.77040        0.00001
  H      -0.07285       -0.43938        1.40416
  H       1.97828       -1.92057        1.42793
  H      -0.07273       -0.43933       -1.40440
  H      -3.01378       -0.01442       -0.00151
  H      -3.89117        1.21370       -0.00112
  H       4.02616       -2.15699        0.00056
  H       1.97824       -1.92081       -1.42782
     106
(3b.H8)b
  Nb      1.01638        1.39426       -0.12660
  H       0.94992        2.77068        3.52113
  H      -0.69068        2.07368        3.54223
  C      -0.09131        2.93587        3.23251
  H      -0.47480        3.81986        3.75340
  H       1.21697        5.07229        1.94512
  P      -0.22105        3.14546        1.40500
  H      -2.36727        4.12689        2.00398
  C       0.52354        4.85282        1.12964
  H       2.65714        6.36445       -1.09343
  H      -0.26568        5.60758        1.10595
  C      -2.04165        3.52768        1.14689
  C       2.04409        6.32428       -0.19173
  H      -3.60106        5.65766        0.84208
  H      -2.59772        2.57271        1.18099
  H       1.30327        7.12536       -0.20200
  N       1.31461        4.98948       -0.15469
  C      -3.56171        5.01622       -0.04182
  N      -2.26708        4.29597       -0.06740
  H       2.67460        6.40315        0.69527
  H      -4.42376        4.33304       -0.02224
  C       0.51100        4.79193       -1.42673
  H      -0.25287        5.57294       -1.44561
  H      -3.63811        5.65403       -0.92589
  C      -2.09413        3.52437       -1.28731
  H      -2.67127        2.58062       -1.29990
  P      -0.29517        3.09356       -1.62935
  H       1.20535        4.94943       -2.25604
  H      -2.44034        4.12803       -2.13308
  C      -0.26606        2.88383       -3.45901
  H      -0.70562        3.75080       -3.96300
  H       0.76267        2.74139       -3.79955
  H      -0.84086        1.99294       -3.72818
  H      -2.57825        0.12468       -3.21141
  H       1.75700       -1.46942       -3.69739
  H      -1.67386       -1.28924       -3.79408
  H       1.75906       -3.21292       -3.35624
  C      -2.53504       -0.96847       -3.20328
  C       2.27661       -2.26860       -3.16254
  H      -3.45540       -1.35105       -3.65708
  H       3.30346       -2.34974       -3.53485
  H      -4.73122       -0.98654       -1.43171
  P      -2.36219       -1.55171       -1.46221
  H       3.42820        0.04360       -2.15883
  P       2.26373       -1.92185       -1.35556
  C      -3.94549       -0.91174       -0.67231
  H      -3.79901        0.16393       -0.45726
  H      -2.46724       -3.70831       -2.63585
  C       3.47780       -0.51242       -1.21951
  H       4.01087       -3.60270       -1.38594
  C      -2.76443       -3.38351       -1.63560
  C       3.20822       -3.39187       -0.67123
  H       4.18956        2.21319        0.60944
  H       4.49430       -0.91224       -1.10706
  H      -6.39014       -1.73869       -0.06083
  Nb     -0.01210       -1.26965       -0.25625
  H       2.51562       -4.25305       -0.68565
  H      -3.83609       -3.55275       -1.50582
  N      -4.35182       -1.68503        0.48904
  C      -5.78441       -1.48730        0.81327
  H      -6.00995       -0.45371        1.11534
  C       4.28816        1.50199       -0.21023
  H       5.27335        1.02390       -0.15306
  N       3.20212        0.46333       -0.11306
  H       5.63973       -4.07189        0.14473
  H      -1.61711       -6.34787       -0.35504
  N      -2.03905       -4.27795       -0.65829
  N       3.80684       -3.14616        0.62911
  H      -3.29924       -0.43589        1.88832
  C      -3.49689       -1.49732        1.65033
  C      -2.22101       -5.73737       -1.02804
  C       4.89119       -4.10585        0.94011
  H       4.20347        2.02128       -1.16725
  H      -6.06809       -2.16088        1.62554
  C       3.32733       -0.19276        1.22864
  H      -3.27594       -5.99835       -0.92817
  H       4.52539       -5.13835        1.03876
  C      -2.39882       -4.03921        0.78808
  P      -1.83475       -2.37447        1.47763
  C       2.85057       -3.01605        1.70841
  H       4.26854       -0.75693        1.27782
  H       2.09612       -3.82153        1.74189
  P       1.91743       -1.37142        1.63581
  H      -3.48243       -4.13890        0.88332
  H      -3.99377       -1.93778        2.52061
  H      -1.89359       -5.88194       -2.05867
  H       5.37614       -3.81216        1.87437
  H       3.34669        0.59674        1.98323
  H      -1.90848       -4.82851        1.36285
  H       3.39491       -3.02254        2.65851
  C      -1.47726       -2.86236        3.22531
  C       1.63632       -1.01093        3.43133
  H      -1.35541       -1.96746        3.84247
  H      -2.30563       -3.44959        3.63634
  H       1.04539       -0.10074        3.56402
  H       2.59658       -0.88965        3.94410
  H      -0.56327       -3.45993        3.27872
  H       1.10664       -1.84173        3.90348
  H      -0.62524        0.52317        0.33479
  H       2.02022        2.31549        1.10293
  H       0.47257        0.06375       -1.49286
  H       0.29210       -3.07143       -0.05109
  H      -1.02844       -4.03849       -0.72751
  H       2.02939        4.24764       -0.12554
  H       1.69093        1.81010       -1.70408
  H      -0.08776       -1.97172       -1.87326
     130
4
  H       2.44360       -3.92550       -0.91777
  H       0.73879       -3.58607       -1.32958
  H       1.14492       -4.70199        0.01728
  C       1.43556       -3.77992       -0.50765
  H      -2.09142        1.72889       -3.35662
  H      -0.31694        1.63841       -3.11921
  C      -1.22862        2.17356       -2.84668
  H      -1.15245        3.22209       -3.16984
  H      -0.73876       -3.22425        1.11360
  H       2.89829       -3.96208        1.81246
  P       1.46233       -2.38025        0.67672
  H      -3.21603        3.63515       -1.71286
  C       2.94572       -2.86640        1.71796
  C       0.00846       -2.74175        1.76278
  P      -1.46472        2.11790       -1.02733
  H       3.85024       -2.63211        1.11572
  H       0.43572        3.56745       -1.21027
  H       0.30095       -3.43181        2.57341
  C      -3.19107        2.84225       -0.94962
  H      -2.44267       -2.61282        2.51388
  C      -0.41490        3.56986       -0.51412
  H      -4.46901        5.11532       -0.46254
  H      -1.02108        4.47328       -0.73498
  H       3.43378       -4.06719        4.03801
  H      -3.89639        2.05198       -1.28419
  C      -1.79270       -1.98482        3.12703
  N      -0.63286       -1.52250        2.32225
  N       2.94161       -2.27993        3.02916
  C       3.75014       -3.01509        4.01550
  C      -4.65595        4.33730        0.29080
  H       1.72210        4.81449        0.27218
  H      -1.45094       -2.58150        3.98835
  H       4.83214       -2.97695        3.79010
  N      -3.51792        3.40870        0.32822
  H      -5.61013        3.83296        0.04529
  N       0.11067        3.56832        0.84088
  C       0.93438        4.77145        1.03699
  H       0.34175        5.70307        0.96324
  C       3.13825       -0.85627        3.04977
  H      -2.35008       -1.12104        3.49909
  H       4.03378       -0.50608        2.49513
  C       0.27958       -0.82766        3.26328
  H      -4.76127        4.83142        1.26665
  H       3.58474       -2.58997        5.01523
  H       0.71146       -1.54971        3.97665
  C      -3.56404        2.45481        1.40002
  P       1.64287        0.06378        2.38547
  C      -0.91492        3.50180        1.87271
  H       1.40599        4.75161        2.03000
  H      -4.16682        1.55260        1.17689
  P      -1.84491        1.88509        1.93290
  H      -1.67421        4.30051        1.76869
  H       3.25489       -0.52249        4.09210
  H      -0.30294       -0.09613        3.82799
  H      -4.01077        2.93187        2.28398
  H      -0.43599        3.62880        2.85371
  C       1.78397        1.68020        3.23983
  H       1.35413        1.61820        4.25012
  C      -2.15364        1.70202        3.74462
  H       2.84572        1.93674        3.34078
  H       1.28983        2.45277        2.64536
  H      -2.89700        0.91471        3.93168
  H      -2.56049        2.65242        4.12215
  H      -1.23906        1.48160        4.30779
  Nb     -1.07439       -0.12523        0.32651
  H      -5.68893       -1.83380        1.86585
  H      -5.35438       -0.09211        1.99514
  H      -4.37021       -1.25572        2.91855
  C      -4.88643       -1.08695        1.96774
  H       3.22227        3.53357        1.37510
  H       4.52601        2.45616        1.95570
  H       4.80414        3.49102        0.53697
  C       4.04861        2.88777        1.06419
  H      -5.96534       -1.14383       -0.49167
  H      -3.76084       -3.53722        1.14448
  H       2.99106        3.39799       -1.46115
  P      -3.76051       -1.19021        0.50355
  H       5.86225        1.26225       -0.03090
  P       3.46556        1.53906       -0.04282
  C      -3.63243       -3.02458        0.18011
  C      -5.00793       -0.71383       -0.82032
  C       3.31983        2.37325       -1.68693
  H      -4.48342       -3.32707       -0.45935
  C       5.05295        0.53572       -0.19303
  H      -5.13614        0.38840       -0.81795
  H       4.30794        2.44582       -2.17868
  H       5.09805       -0.18392        0.65106
  H      -6.55273       -2.12585       -2.46829
  H      -2.29573       -5.22255        0.74199
  H       1.51216        3.64979       -3.12962
  H       7.04437        0.89604       -1.92240
  C      -5.80658       -1.51238       -2.99204
  C      -2.20548       -4.89538       -0.30376
  Nb      1.27747        0.04759       -0.16525
  N      -4.66311       -1.26592       -2.10099
  N      -2.34143       -3.42898       -0.38117
  H      -6.29399       -0.57847       -3.32948
  C       1.95365        2.75829       -3.59507
  H      -2.97702       -5.42212       -0.89575
  N       2.30174        1.75740       -2.56067
  C       6.61045       -0.11245       -1.96762
  N       5.22046       -0.07183       -1.48301
  H       2.84945        3.07514       -4.15972
  H       7.24860       -0.79735       -1.37918
  H      -5.47080       -2.07264       -3.87602
  H      -1.22015       -5.20201       -0.68096
  C      -3.53947       -0.64768       -2.73099
  C      -2.10965       -2.98309       -1.74938
  H       1.23581        2.34112       -4.31121
  H       6.62447       -0.43525       -3.01788
  C       4.47536       -1.27905       -1.69421
  H      -3.59358        0.45838       -2.76496
  C       2.76368        0.53490       -3.24667
  P      -1.86517       -1.14312       -1.99089
  H      -2.91808       -3.28532       -2.44566
  P       2.67455       -0.97928       -2.17758
  H       4.49454       -1.97712       -0.83131
  H       3.77926        0.64396       -3.67035
  H      -3.47926       -0.99525       -3.77258
  H      -1.18245       -3.45190       -2.10856
  H       2.07918        0.34141       -4.08505
  H       4.90741       -1.82090       -2.54731
  C      -0.87033       -1.09272       -3.54307
  C       2.48241       -2.35076       -3.40436
  H      -1.02510       -2.01655       -4.12120
  H      -1.18997       -0.25034       -4.16824
  H       0.18848       -0.97233       -3.30617
  H       1.43973       -2.54564       -3.67543
  H       2.91506       -3.27268       -2.99325
  H       3.04575       -2.09423       -4.31528
     130
4b
  H      -2.97664       -3.45218        1.81071
  H      -1.24875       -3.74926        1.55782
  H      -2.47537       -4.72560        0.68783
  C      -2.22291       -3.73026        1.06874
  H       2.97664        3.45218        1.81071
  H       1.24875        3.74926        1.55782
  C       2.22291        3.73026        1.06874
  H       2.47537        4.72560        0.68783
  H      -1.03759       -4.31767       -1.38399
  H      -4.49856       -3.35512       -0.43771
  P      -2.23136       -2.50557       -0.31605
  H       4.49856        3.35512       -0.43771
  C      -4.08837       -2.35989       -0.64057
  C      -1.68597       -3.53402       -1.78928
  P       2.23136        2.50557       -0.31605
  H      -4.52681       -1.67299        0.10708
  H       1.03759        4.31767       -1.38399
  H      -2.59799       -4.02480       -2.16840
  C       4.08837        2.35989       -0.64057
  H       0.10364       -4.61354       -3.36085
  C       1.68597        3.53402       -1.78928
  H       5.89808        3.47437       -2.22657
  H       2.59799        4.02480       -2.16840
  H      -5.89808       -3.47437       -2.22657
  H       4.52681        1.67299        0.10708
  C      -0.50424       -3.84429       -3.84435
  N      -0.93789       -2.83916       -2.83991
  N      -4.39540       -2.00898       -2.01054
  C      -5.76594       -2.40473       -2.40623
  C       5.76594        2.40473       -2.40623
  H      -0.10364        4.61354       -3.36085
  H      -1.35524       -4.33835       -4.33681
  H      -6.54170       -1.85336       -1.85390
  N       4.39540        2.00898       -2.01054
  H       6.54170        1.85336       -1.85390
  N       0.93789        2.83916       -2.83991
  C       0.50424        3.84429       -3.84435
  H       1.35524        4.33835       -4.33681
  C      -4.08786       -0.63930       -2.36195
  H       0.10209       -3.36096       -4.61492
  H      -4.52566        0.10898       -1.67545
  C      -1.68605       -1.78902       -3.53538
  H       5.89874        2.22386       -3.47558
  H      -5.89874       -2.22386       -3.47558
  H      -2.59847       -2.16820       -4.02521
  C       4.08786        0.63930       -2.36195
  P      -2.23105       -0.31517       -2.50767
  C       1.68605        1.78902       -3.53538
  H      -0.10209        3.36096       -4.61492
  H       4.52566       -0.10898       -1.67545
  P       2.23105        0.31517       -2.50767
  H       2.59847        2.16820       -4.02521
  H      -4.49795       -0.43672       -3.35729
  H      -1.03798       -1.38470       -4.31979
  H       4.49795        0.43672       -3.35729
  H       1.03798        1.38470       -4.31979
  C      -2.22411        1.06914       -3.73318
  H      -2.48081        0.68796       -4.72733
  C       2.22411       -1.06914       -3.73318
  H      -2.97561        1.81269       -3.45305
  H      -1.24913        1.55632       -3.75598
  H       2.97561       -1.81269       -3.45305
  H       2.48081       -0.68796       -4.72733
  H       1.24913       -1.55632       -3.75598
  Nb      1.18409       -0.00119       -0.00058
  H       2.47533       -4.72831       -0.68646
  H       2.97569       -3.45492       -1.80983
  H       1.24805       -3.75287       -1.55642
  C       2.22230       -3.73318       -1.06758
  H      -1.24805        3.75287       -1.55642
  H      -2.97569        3.45492       -1.80983
  H      -2.47533        4.72831       -0.68646
  C      -2.22230        3.73318       -1.06758
  H       4.49768       -3.35748        0.43856
  H       1.03686       -4.31987        1.38566
  H      -1.03686        4.31987        1.38566
  P       2.23053       -2.50812        0.31689
  H      -4.49768        3.35748        0.43856
  P      -2.23053        2.50812        0.31689
  C       1.68517       -3.53592        1.79048
  C       4.08750       -2.36220        0.64117
  C      -1.68517        3.53592        1.79048
  H       2.59722       -4.02642        2.16992
  C      -4.08750        2.36220        0.64117
  H       4.52575       -1.67552       -0.10677
  H      -2.59722        4.02642        2.16992
  H      -4.52575        1.67552       -0.10677
  H       5.89751       -3.47601        2.22738
  H      -0.10468       -4.61434        3.36255
  H       0.10468        4.61434        3.36255
  H      -5.89751        3.47601        2.22738
  C       5.76528       -2.40634        2.40666
  C       0.50327       -3.84490        3.84564
  Nb     -1.18409        0.00119       -0.00058
  N       4.39466       -2.01081        2.01098
  N       0.93704       -2.84041        2.84062
  H       6.54093       -1.85515        1.85396
  C      -0.50327        3.84490        3.84564
  H       1.35421       -4.33876        4.33839
  N      -0.93704        2.84041        2.84062
  C      -5.76528        2.40634        2.40666
  N      -4.39466        2.01081        2.01098
  H      -1.35421        4.33876        4.33839
  H      -6.54093        1.85515        1.85396
  H       5.89827       -2.22504        3.47592
  H      -0.10302       -3.36105        4.61591
  C       4.08720       -0.64097        2.36187
  C       1.68506       -1.78979        3.53548
  H       0.10302        3.36105        4.61591
  H      -5.89827        2.22504        3.47592
  C      -4.08720        0.64097        2.36187
  H       4.52519        0.10700        1.67516
  C      -1.68506        1.78979        3.53548
  P       2.23041       -0.31638        2.50720
  H       2.59741       -2.16863        4.02573
  P      -2.23041        0.31638        2.50720
  H      -4.52519       -0.10700        1.67516
  H      -2.59741        2.16863        4.02573
  H       4.49717       -0.43810        3.35720
  H       1.03685       -1.38496        4.31954
  H      -1.03685        1.38496        4.31954
  H      -4.49717        0.43810        3.35720
  C       2.22373        1.06782        3.73279
  C      -2.22373       -1.06782        3.73279
  H       2.47953        0.68629        4.72704
  H       2.97588        1.81086        3.45321
  H       1.24909        1.55568        3.75508
  H      -1.24909       -1.55568        3.75508
  H      -2.97588       -1.81086        3.45321
  H      -2.47953       -0.68629        4.72704
     130
4c
  H      -5.60392       -3.77164        0.85730
  H      -5.60172       -3.76042       -0.91001
  H      -2.78559       -4.56865        1.30906
  H      -2.78261       -4.55300       -1.36283
  C      -5.45406       -3.14018       -0.02219
  C      -1.74975       -4.20030        1.22269
  C      -1.74689       -4.18592       -1.26991
  H      -1.18174       -4.64595        2.04704
  H      -1.17711       -4.62233       -2.09797
  N      -1.09641       -4.60682       -0.02524
  H      -2.45784       -3.01383        3.82111
  H      -2.45029       -2.97158       -3.85525
  H      -6.21440       -2.34696       -0.01809
  N      -4.07615       -2.61475       -0.01713
  H      -1.93102       -6.59738       -0.03796
  C      -0.95779       -6.08408       -0.03356
  H      -0.40116       -6.39688       -0.92131
  H      -4.18099       -2.41941        2.04306
  H      -4.17608       -2.39335       -2.07488
  C      -1.80753       -2.23651        3.40533
  C      -3.63383       -1.98849        1.19890
  C      -1.80167       -2.19772       -3.43046
  C      -3.63055       -1.97361       -1.22405
  P      -1.80126       -2.35120        1.55675
  P      -1.79704       -2.33312       -1.58310
  H      -0.80789       -2.35260        3.82545
  H      -0.80160       -2.30709       -3.85145
  H      -2.19934       -1.26100        3.70867
  H      -2.19548       -1.21969       -3.72311
  H      -0.40366       -6.40705        0.85209
  H      -3.76188       -0.89964        1.20349
  H      -3.75797       -0.88475       -1.21526
  H       6.20787        2.33464       -0.01121
  C       5.44790        3.12820       -0.01031
  H       5.59515        3.75332       -0.89476
  H       5.59872        3.75468        0.87258
  H       3.75066        0.88058       -1.21538
  H       4.16716        2.39462       -2.06627
  H       3.75626        0.88085        1.20320
  N       4.06974        2.60333       -0.00709
  H       4.17698        2.39515        2.05175
  C       3.62286        1.96941       -1.21737
  C       3.62861        1.96972        1.20559
  H       2.18543        1.22783       -3.71777
  H       2.19737        1.22915        3.71301
  C       1.79108        2.20409       -3.41998
  H       2.43840        2.98056       -3.84199
  P       1.78891        2.33031       -1.57200
  P       1.79659        2.33097        1.56776
  C       1.80528        2.20633        3.41560
  H       2.45635        2.98125        3.83461
  H       2.77428        4.54909       -1.34110
  H       0.79031        2.31447       -3.83911
  H       2.78117        4.54934        1.33060
  C       1.73880        4.18120       -1.24878
  C       1.74513        4.18169        1.24384
  H       0.80627        2.32029        3.83779
  N       1.09000        4.59506       -0.00087
  H       1.16773        4.62209       -2.07359
  H       1.17848        4.62307        2.07141
  C       0.95175        6.07229       -0.00080
  H       0.39388        6.39014       -0.88596
  H       1.92513        6.58528       -0.00383
  H       0.39907        6.39044        0.88748
  H       1.28069       -2.89711        3.77527
  H       1.92363       -1.24083        3.80138
  H       3.02814       -2.63744        3.80147
  C       2.08170       -2.24869        3.40990
  H      -1.28201        2.86766        3.79359
  H      -1.91984        1.20929        3.81185
  C      -2.08176        2.21883        3.42616
  H      -3.02860        2.60260        3.82163
  H       4.25034       -1.21743        2.06543
  H       2.68152       -4.56943        2.05485
  P       2.12703       -2.26353        1.55599
  H      -2.68521        4.54648        2.08472
  C       2.14154       -4.12405        1.21250
  C       3.93409       -1.85725        1.23415
  P      -2.13046        2.24365        1.57235
  H       1.10662       -4.49335        1.23436
  H      -4.25244        1.19363        2.07960
  H       4.46930       -2.81594        1.33564
  C      -2.14617        4.10606        1.23917
  H       5.96137       -0.26047        0.88368
  C      -3.93803        1.83850        1.25151
  H      -4.01877        5.95863        0.91217
  H      -4.47338        2.79639        1.35976
  H       4.01340       -5.97492        0.87269
  H      -1.11135        4.47560        1.26176
  C       5.70952       -0.84538       -0.00534
  N       4.25917       -1.15437       -0.00526
  N       2.85351       -4.44951       -0.00924
  C       3.38767       -5.82878       -0.01132
  C      -3.39405        5.81750        0.02662
  H      -5.96566        0.24360        0.89560
  H       6.33238       -1.75242       -0.00770
  H       2.59675       -6.59355       -0.01395
  N      -2.85985        4.43825        0.02029
  H      -2.60315        6.58228        0.02740
  N      -4.26528        1.14283        0.00858
  C      -5.71556        0.83350        0.00938
  H      -6.33869        1.74036        0.01314
  C       2.14291       -4.12044       -1.23082
  H       5.96032       -0.25660       -0.89209
  H       1.10860       -4.49091       -1.25517
  C       3.93325       -1.85288       -1.24689
  H      -4.02299        5.96479       -0.85492
  H       4.01559       -5.97118       -0.89440
  H       4.46875       -2.81101       -1.35227
  C      -2.15111        4.11595       -1.20418
  P       2.12608       -2.25894       -1.56794
  C      -3.94181        1.84879       -1.22949
  H      -5.96774        0.24953       -0.88016
  H      -1.11676        4.48634       -1.22802
  P      -2.13517        2.25639       -1.55163
  H      -4.47735        2.80763       -1.32791
  H       2.68494       -4.56183       -2.07399
  H       4.24856       -1.21007       -2.07620
  H      -2.69433        4.56214       -2.04404
  H      -4.25890        1.21105       -2.06202
  C       2.07658       -2.23847       -3.42168
  H       3.02642       -2.61446       -3.81731
  C      -2.08892        2.24600       -3.40553
  H       1.28255       -2.89573       -3.78662
  H       1.90472       -1.23146       -3.80945
  H      -1.29382        2.90315       -3.76835
  H      -3.03854        2.62655       -3.79735
  H      -1.92039        1.24065       -3.79904
  Nb     -0.10469        1.18921        0.00270
  Nb      0.09841       -1.20035       -0.00401
     130
4d
  Nb     -0.00733       -0.04917       -1.13247
  H       3.41716       -5.59207        1.18752
  H       3.39977       -5.71107       -0.57479
  H       4.05054       -3.03036        1.43973
  H       4.02001       -3.15805       -1.25628
  C       2.77478       -5.53557        0.30468
  C       3.78134       -1.97137        1.30232
  C       3.73457       -2.09506       -1.20287
  H       4.31766       -1.40807        2.07313
  H       4.22396       -1.59686       -2.04675
  N       4.20714       -1.44000        0.01202
  H       2.90305       -2.71878        3.93847
  H       2.80071       -3.09335       -3.69543
  H       2.02573       -6.33742        0.36633
  N       2.17013       -4.19131        0.21990
  H       6.13928       -2.40662        0.03006
  C       5.69243       -1.40274       -0.01776
  H       6.03050       -0.92078       -0.93937
  H       1.89740       -4.28236        2.27459
  H       1.91265       -4.51925       -1.81073
  C       2.16244       -1.96118        3.65991
  C       1.52088       -3.71807        1.41633
  C       1.99733       -2.38539       -3.46377
  C       1.51086       -3.87539       -1.02269
  P       1.96225       -1.89438        1.81514
  P       1.89358       -2.10043       -1.63190
  H       2.49149       -0.99653        4.05585
  H       2.18757       -1.45464       -4.00497
  H       1.21370       -2.21768        4.14029
  H       1.05770       -2.80806       -3.83358
  H       6.06344       -0.82098        0.83051
  H       0.43718       -3.81343        1.37088
  H       0.43028       -4.00208       -0.97012
  H      -2.00258        6.35053       -0.27083
  C      -2.75966        5.55604       -0.21104
  H      -3.41375        5.63346       -1.08349
  H      -3.36992        5.72427        0.68017
  H      -0.44637        3.87605       -1.34300
  H      -1.93497        4.31852       -2.21307
  H      -0.41642        3.96348        1.00494
  N      -2.16873        4.20372       -0.15632
  H      -1.87204        4.50612        1.87443
  C      -1.52850        3.75486       -1.36797
  C      -1.49854        3.86125        1.07361
  H      -1.15787        2.38687       -4.07312
  H      -1.10707        2.69850        3.90904
  C      -2.09267        2.02654       -3.63237
  H      -2.89009        2.72337       -3.91302
  P      -1.93519        1.93061       -1.78457
  P      -1.91307        2.08605        1.66467
  C      -2.05719        2.34458        3.49762
  H      -2.82438        3.09446        3.71918
  H      -4.04658        3.03338       -1.45278
  H      -2.31710        1.04859       -4.06657
  H      -4.02021        3.16815        1.24429
  C      -3.76351        1.97894       -1.30506
  C      -3.74630        2.10218        1.20103
  H      -2.32351        1.41613        4.01026
  N      -4.20381        1.44733       -0.01973
  H      -4.27830        1.40466       -2.08281
  H      -4.25605        1.61230        2.03733
  C      -5.68924        1.40782       -0.00760
  H      -6.04999        0.83049       -0.86342
  H      -6.13678        2.41133       -0.05571
  H      -6.03729        0.92057        0.90732
  H       2.55391        1.34197        3.93912
  H       1.26392        2.55384        3.92321
  H       2.94958        3.04762        3.66381
  C       2.21131        2.26421        3.46057
  H      -2.38278       -0.97841        4.11439
  H      -1.15562       -2.25374        4.15056
  C      -2.10488       -1.95185        3.69942
  H      -2.87110       -2.67869        3.99025
  H       1.52893        4.37201        1.85458
  H       4.42992        1.98310        1.93604
  P       2.01952        2.01432        1.63062
  H      -4.37160       -1.77078        2.21541
  C       3.81554        1.56942        1.13087
  C       2.05261        3.81921        1.06751
  P      -1.96822       -1.85603        1.85022
  H       3.91780        0.48515        1.12249
  H      -1.49511       -4.19358        2.25810
  H       3.11579        4.09826        1.13940
  Nb      0.01303        0.05940        1.16577
  C      -3.77562       -1.44180        1.35909
  H       0.88069        6.08791        0.60056
  C      -2.02632       -3.70116        1.43698
  H      -5.65073       -3.33851        1.16772
  H      -3.09034       -3.96331        1.54586
  H       5.69287        3.42357        0.71339
  H      -3.86931       -0.36271        1.24829
  C       1.40727        5.69182       -0.27208
  N       1.44725        4.20803       -0.20156
  N       4.20838        2.17447       -0.11763
  C       5.56355        2.76094       -0.14631
  C      -5.55277       -2.75433        0.24887
  H      -0.85786       -6.00244        1.13936
  H       2.41203        6.13846       -0.30052
  H       6.35793        2.00163       -0.12431
  N      -4.20317       -2.15896        0.18401
  H      -6.35333       -2.00162        0.22720
  N      -1.44397       -4.19631        0.19441
  C      -1.40329       -5.68079        0.24790
  H      -2.40759       -6.12826        0.27732
  C       3.80844        1.47044       -1.31119
  H       0.86783        6.00386       -1.17061
  H       3.93271        0.39166       -1.22667
  C       2.03016        3.69863       -1.43809
  H      -5.69274       -3.43418       -0.59556
  H       5.68253        3.36165       -1.05187
  H       3.09016        3.97406       -1.55790
  C      -3.83976       -1.56982       -1.08078
  P       1.99983        1.84593       -1.81639
  C      -2.05025       -3.79390       -1.07014
  H      -0.88202       -6.06718       -0.63236
  H      -3.97119       -0.48861       -1.09590
  P      -2.04257       -1.97953       -1.59991
  H      -3.10929       -4.08760       -1.15153
  H       4.40180        1.83746       -2.15392
  H       1.48855        4.16911       -2.26566
  H      -4.45214       -2.01811       -1.86889
  H      -1.51661       -4.32622       -1.86499
  C       2.16322        1.89974       -3.66512
  H       2.87489        2.67718       -3.96402
  C      -2.26121       -2.18814       -3.43216
  H       2.53256        0.94016       -4.04043
  H       1.20296        2.10511       -4.14576
  H      -2.67735       -1.27483       -3.86893
  H      -2.95529       -3.00935       -3.64259
  H      -1.31056       -2.39984       -3.92888
     132
4.H2
  H       2.99234       -3.88734        0.11569
  H       1.31450       -3.76034       -0.49920
  H       1.65152       -4.55841        1.07352
  C       1.94178       -3.73996        0.39774
  H      -1.74645        1.38594       -3.56178
  H      -0.08582        1.70270       -2.95611
  C      -1.13045        2.03347       -2.92424
  H      -1.21224        3.06168       -3.30810
  H      -0.40294       -3.06005        1.64371
  H       3.17260       -3.32013        2.84065
  P       1.76442       -2.14053        1.27033
  H      -3.55838        3.13513       -2.25570
  C       3.15334       -2.27073        2.50808
  C       0.21862       -2.38412        2.24899
  P      -1.72641        1.98161       -1.19208
  H       4.10199       -2.09381        1.95126
  H      -0.10451        3.75038       -1.12841
  H       0.46365       -2.86391        3.21196
  C      -3.53218        2.41492       -1.42375
  H      -2.24805       -2.41308        2.80508
  C      -1.04322        3.60779       -0.57022
  H      -5.06087        4.58191       -1.30867
  H      -1.75985        4.37285       -0.93440
  H       3.56745       -2.87402        5.06010
  H      -4.07092        1.50849       -1.76823
  C      -1.73582       -1.58823        3.30868
  N      -0.58044       -1.14931        2.47952
  N       2.97880       -1.41491        3.65387
  C       3.78745       -1.82619        4.81262
  C      -5.29338        3.84259       -0.52950
  H       0.69965        5.23842        0.43473
  H      -1.39292       -1.94776        4.29221
  H       4.87378       -1.72775        4.62765
  N      -4.10044        3.02944       -0.25433
  H      -6.15579        3.23622       -0.86609
  N      -0.74147        3.74301        0.84069
  C      -0.15797        5.06851        1.10097
  H      -0.88192        5.88858        0.93410
  C       3.07766       -0.00816        3.35493
  H      -2.42806       -0.75953        3.46023
  H       4.00106        0.27747        2.80304
  C       0.18207       -0.15844        3.28212
  H      -5.58294        4.39014        0.37822
  H       3.52235       -1.20971        5.68277
  H       0.55441       -0.62297        4.21089
  C      -4.23343        2.15195        0.87628
  P       1.61393        0.60288        2.37112
  C      -1.83974        3.49955        1.75808
  H       0.19174        5.12908        2.14172
  H      -4.73454        1.19114        0.64555
  P      -2.58262        1.78772        1.71081
  H      -2.68424        4.20453        1.62134
  H       3.07858        0.56277        4.29604
  H      -0.49622        0.65869        3.55167
  H      -4.84247        2.65171        1.64355
  H      -1.46196        3.63986        2.78284
  C       1.51427        2.36619        2.83430
  H       1.18754        2.45512        3.88145
  C      -3.16017        1.61859        3.45689
  H       2.50527        2.82788        2.74770
  H       0.81212        2.86524        2.15178
  H      -3.90506        0.81545        3.53881
  H      -3.64120        2.56257        3.75593
  H      -2.33732        1.41865        4.15534
  Nb     -1.15116       -0.11680        0.29744
  H       0.13461        1.21483        0.46550
  H      -5.54631       -2.31770        1.64876
  H      -5.35913       -0.55268        1.74938
  H      -4.35254       -1.61618        2.77080
  C      -4.81445       -1.50669        1.78417
  H       2.41427        3.96571        0.33607
  H       3.88299        3.45814        1.21847
  H       4.03741        4.17129       -0.40384
  C       3.41153        3.52259        0.22795
  H      -5.69438       -1.85375       -0.72917
  H      -3.31725       -3.82545        1.27021
  H       2.63501        3.18713       -2.39762
  P      -3.58425       -1.57759        0.40737
  H       5.69423        2.12323       -0.34324
  P       3.29976        1.85117       -0.52745
  C      -3.19935       -3.39041        0.26631
  C      -4.77123       -1.33843       -1.03195
  C       3.16750        2.22622       -2.33898
  H      -3.96112       -3.86224       -0.38533
  C       5.05963        1.22548       -0.30847
  H      -5.02369       -0.26092       -1.11134
  H       4.17843        2.38308       -2.76369
  H       5.14864        0.80824        0.71836
  H      -6.08453       -2.96927       -2.66534
  H      -1.61286       -5.34180        1.05187
  H       1.46618        2.74890       -4.24706
  H       7.17384        1.43543       -1.90573
  C      -5.36906       -2.31653       -3.18451
  C      -1.50537       -5.06490       -0.00687
  Nb      1.43112       -0.01592       -0.10943
  N      -4.29764       -1.92660       -2.25657
  N      -1.83292       -3.63973       -0.18411
  H      -5.91799       -1.44670       -3.59276
  C       1.99931        1.79988       -4.38872
  H      -2.16247       -5.72629       -0.60262
  N       2.38490        1.23131       -3.08129
  C       6.90199        0.39373       -1.68585
  N       5.47114        0.32064       -1.34680
  H       2.88065        1.99626       -5.02740
  H       7.55300        0.02312       -0.87241
  H      -4.94117       -2.88543       -4.02191
  H      -0.46787       -5.25490       -0.31252
  C      -3.21219       -1.22487       -2.88441
  C      -1.57230       -3.23580       -1.55810
  H       1.33987        1.10121       -4.92224
  H       7.09599       -0.20071       -2.58940
  C       4.94980       -1.01495       -1.24793
  H      -3.40844       -0.14738       -3.06772
  C       3.10128       -0.02801       -3.31508
  P      -1.60561       -1.39869       -1.93488
  H      -2.25622       -3.71486       -2.28756
  P       3.16365       -1.14758       -1.83364
  H       5.01360       -1.45266       -0.22814
  H       4.12870        0.12990       -3.69562
  H      -3.01765       -1.67928       -3.86773
  H      -0.54825       -3.54623       -1.81180
  H       2.55300       -0.59156       -4.08304
  H       5.52502       -1.67431       -1.91403
  C      -0.38086       -1.31909       -3.30039
  C       3.15963       -2.81786       -2.61317
  H      -0.53131       -2.17164       -3.98017
  H      -0.48905       -0.39125       -3.87157
  H       0.62725       -1.35944       -2.87606
  H       2.14238       -3.13889       -2.87382
  H       3.60250       -3.55924       -1.93591
  H       3.77018       -2.78825       -3.52891
  H       0.15600       -1.35991       -0.34190
     132
(4.H2)b
  H       1.86617       -2.98263       -3.42987
  H       1.57287       -1.24666       -3.64996
  H       0.71607       -2.45352       -4.66644
  C       1.10636       -2.23320       -3.66683
  H       1.90220        3.16584        3.28835
  H       1.65659        1.43446        3.59613
  C       1.17381        2.41389        3.60374
  H       0.84828        2.66567        4.61892
  H      -1.33361       -1.05007       -4.20355
  H      -0.38395       -4.53918       -3.37496
  P      -0.26672       -2.31191       -2.43347
  H      -0.43618        4.68432        3.30631
  C      -0.58255       -4.17525       -2.36085
  C      -1.74076       -1.74107       -3.45781
  P      -0.27220        2.41711        2.45599
  H       0.17115       -4.64070       -1.70033
  H      -1.20485        1.20029        4.32472
  H      -2.08236       -2.64189       -3.99624
  C      -0.65387        4.26203        2.31904
  H      -3.32386        0.05807       -4.49991
  C      -1.67107        1.82154        3.55297
  H      -2.27010        6.04473        3.44518
  H      -2.07099        2.72200        4.04911
  H      -2.15953       -5.93926       -3.54989
  H       0.05922        4.72424        1.61011
  C      -3.81505       -0.58749       -3.76662
  N      -2.82472       -1.05028       -2.76464
  N      -1.94990       -4.50302       -2.01922
  C      -2.34499       -5.85429       -2.47633
  C      -2.46537        5.88757        2.38166
  H      -3.14921        0.01996        4.72419
  H      -4.29000       -1.42081       -4.30645
  H      -1.79591       -6.65404       -1.95709
  N      -2.04464        4.51913        2.00493
  H      -1.94095        6.66451        1.80506
  N      -2.71179        1.02090        2.90583
  C      -3.67491        0.57545        3.94326
  H      -4.19808        1.41922        4.41855
  C      -2.30953       -4.24819       -0.64093
  H      -4.60017       -0.01067       -3.27037
  H      -1.61760       -4.69385        0.09622
  C      -3.51533       -1.83687       -1.74535
  H      -3.54041        5.99221        2.21724
  H      -3.41544       -5.99375       -2.30698
  H      -3.98009       -2.75206       -2.14910
  C      -2.42982        4.17263        0.65216
  P      -2.49297       -2.40119       -0.27067
  C      -3.45758        1.72728        1.86271
  H      -4.42341       -0.08297        3.49433
  H      -1.79632        4.63416       -0.12949
  P      -2.47929        2.30742        0.37142
  H      -3.98208        2.61935        2.24555
  H      -3.29765       -4.68265       -0.45453
  H      -4.31842       -1.21465       -1.33607
  H      -3.45234        4.52640        0.48023
  H      -4.21706        1.04062        1.47508
  C      -3.74431       -2.42202        1.09085
  H      -4.72050       -2.71794        0.69163
  C      -3.70437        2.16253       -1.00268
  H      -3.45630       -3.14978        1.85380
  H      -3.81964       -1.43824        1.55780
  H      -3.50975        2.92574       -1.76157
  H      -4.71833        2.31915       -0.62108
  H      -3.62103        1.18079       -1.47141
  Nb      0.01649        1.31181       -0.01275
  H       0.99182        0.09314        1.02489
  H      -0.80656        2.67854       -4.66189
  H      -1.86866        3.17771       -3.33706
  H      -1.62497        1.44819       -3.64968
  C      -1.13878        2.42572       -3.64932
  H      -1.58787       -1.32048        3.76550
  H      -1.89904       -3.04427        3.48559
  H      -0.74229       -2.56643        4.73875
  C      -1.13113       -2.31132        3.74703
  H       0.45735        4.69445       -3.32987
  H       1.24986        1.21136       -4.35245
  H       1.31502       -1.12878        4.29876
  P       0.29881        2.42394       -2.48970
  H       0.39838       -4.60603        3.39977
  P       0.23963       -2.35874        2.51011
  C       1.70850        1.83529       -3.57822
  C       0.67514        4.26984       -2.34374
  C       1.71762       -1.78947        3.52352
  H       2.10664        2.73776       -4.07243
  C       0.57614       -4.21442        2.39220
  H      -0.04000        4.72784       -1.63417
  H       2.09565       -2.69610        4.02607
  H      -0.17868       -4.67540        1.72956
  H       2.28950        6.05182       -3.47273
  H       3.18750        0.01709       -4.73050
  H       3.28161        0.02284        4.56581
  H       2.21125       -5.96603        3.52034
  C       2.48279        5.89892       -2.40824
  C       3.71242        0.58420       -3.95734
  Nb     -0.05314       -1.21361        0.05117
  N       2.06470        4.53064       -2.02791
  N       2.74865        1.03938       -2.92471
  H       1.95521        6.67652       -1.83548
  C       3.76944       -0.58877        3.80174
  H       4.23416        1.42294       -4.44297
  N       2.76309       -1.05344        2.81692
  C       2.37645       -5.85688        2.44572
  N       1.94421       -4.50620        2.02177
  H      -1.02052        0.09805       -0.99447
  H       4.28276       -1.42177        4.30573
  H       1.83634       -6.65867        1.92028
  H       3.55722        6.00647       -2.24184
  H       4.46206       -0.06723       -3.50002
  C       2.44905        4.19001       -0.67338
  C       3.49369        1.74972       -1.88405
  H       4.52369        0.02307        3.29958
  H       3.44668       -5.96931        2.25586
  C       2.27102       -4.21952        0.64169
  H       1.80867        4.64790        0.10445
  C       3.44309       -1.79595        1.75908
  P       2.51949        2.32544       -0.38767
  H       4.01455        2.64367       -2.26740
  P       2.41054       -2.36341        0.28865
  H       1.57403       -4.67060       -0.08712
  H       3.94474       -2.70692        2.12744
  H       3.46739        4.55436       -0.49930
  H       4.25640        1.06598       -1.49750
  H       4.21749       -1.14257        1.34343
  H       3.26417       -4.62963        0.42903
  C       3.76423        2.20340        0.97192
  C       3.66111       -2.35605       -1.07390
  H       4.76864        2.39492        0.58012
  H       3.55491        2.94938        1.74333
  H       3.72158        1.21415        1.43038
  H       3.69805       -1.37941       -1.55953
  H       3.40385       -3.10971       -1.82271
  H       4.64690       -2.60896       -0.66864
     132
(4.H2)c
  H      -6.09524       -2.94126        0.87690
  H      -6.09369       -2.94005       -0.88943
  H      -3.34096       -4.26433        1.30875
  H      -3.33872       -4.26233       -1.31928
  C      -5.81771       -2.35902       -0.00562
  C      -2.26394       -4.03909        1.23650
  C      -2.26184       -4.03712       -1.24473
  H      -1.76939       -4.54685        2.07191
  H      -1.76580       -4.54341       -2.08015
  N      -1.65504       -4.53463       -0.00399
  H      -2.73517       -2.66912        3.83721
  H      -2.72585       -2.66292       -3.84441
  H      -6.39587       -1.42454       -0.00550
  N      -4.35906       -2.14043       -0.00419
  H      -2.73896       -6.40036       -0.00610
  C      -1.70755       -6.01719       -0.00514
  H      -1.19722       -6.40287       -0.89201
  H      -4.40732       -1.92131        2.05892
  H      -4.40378       -1.91810       -2.06704
  C      -1.98382       -2.02291        3.37030
  C      -3.81517       -1.57540        1.20549
  C      -1.97738       -2.01590       -3.37402
  C      -3.81315       -1.57350       -1.21203
  P      -2.05967       -2.19893        1.53206
  P      -2.05707       -2.19645       -1.53640
  H      -1.00131       -2.28089        3.76561
  H      -0.99317       -2.26989       -3.76766
  H      -2.20165       -0.98533        3.64152
  H      -2.19756       -0.97820       -3.64291
  H      -1.19833       -6.40414        0.88181
  H      -3.79197       -0.47654        1.21090
  H      -3.79002       -0.47461       -1.21582
  H       6.39587        1.42454       -0.00550
  C       5.81771        2.35902       -0.00562
  H       6.09369        2.94005       -0.88943
  H       6.09524        2.94126        0.87690
  H       3.79002        0.47461       -1.21582
  H       4.40378        1.91810       -2.06704
  H       3.79197        0.47654        1.21090
  N       4.35906        2.14043       -0.00419
  H       4.40732        1.92131        2.05892
  C       3.81315        1.57350       -1.21203
  C       3.81517        1.57540        1.20549
  H       2.19756        0.97820       -3.64291
  H       2.20165        0.98533        3.64152
  C       1.97738        2.01590       -3.37402
  H       2.72585        2.66292       -3.84441
  P       2.05707        2.19645       -1.53640
  P       2.05967        2.19893        1.53206
  C       1.98382        2.02291        3.37030
  H       2.73517        2.66912        3.83721
  H       3.33872        4.26233       -1.31928
  H       0.99317        2.26989       -3.76766
  H       3.34096        4.26433        1.30875
  C       2.26184        4.03712       -1.24473
  C       2.26394        4.03909        1.23650
  H       1.00131        2.28089        3.76561
  N       1.65504        4.53463       -0.00399
  H       1.76580        4.54341       -2.08015
  H       1.76939        4.54685        2.07191
  C       1.70755        6.01719       -0.00514
  H       1.19722        6.40287       -0.89201
  H       2.73896        6.40036       -0.00610
  H       1.19833        6.40414        0.88181
  H       0.93444       -3.15591        3.77067
  H       1.67531       -1.53953        3.75957
  H       2.69317       -3.00168        3.80948
  C       1.77615       -2.56599        3.39783
  H      -0.93444        3.15591        3.77067
  H      -1.67531        1.53953        3.75957
  C      -1.77615        2.56599        3.39783
  H      -2.69317        3.00168        3.80948
  H       4.03488       -1.76040        2.07295
  H       2.18073       -4.96656        2.07149
  P       1.83930       -2.62556        1.54762
  H      -2.18073        4.96656        2.07149
  C       1.68324       -4.48211        1.22447
  C       3.67332       -2.37323        1.23994
  P      -1.83930        2.62556        1.54762
  H       0.61852       -4.75719        1.25062
  H      -4.03488        1.76040        2.07295
  H       4.12743       -3.37310        1.34395
  C      -1.68324        4.48211        1.22447
  H       5.83970       -0.97104        0.89003
  C      -3.67332        2.37323        1.23994
  H      -3.36983        6.50588        0.89148
  H      -4.12743        3.37310        1.34395
  H       3.36983       -6.50588        0.89148
  H      -0.61852        4.75719        1.25062
  C       5.53374       -1.53167        0.00253
  N       4.06084       -1.70039        0.00207
  N       2.36234       -4.87805        0.00539
  C       2.76022       -6.30299        0.00742
  C      -2.76022        6.30299        0.00742
  H      -5.83970        0.97104        0.89003
  H       6.06609       -2.49481        0.00391
  H       1.89828       -6.98660        0.00816
  N      -2.36234        4.87805        0.00539
  H      -1.89828        6.98660        0.00816
  N      -4.06084        1.70039        0.00207
  C      -5.53374        1.53167        0.00253
  H      -6.06609        2.49481        0.00391
  C       1.68456       -4.48506       -1.21544
  H       5.84045       -0.97317       -0.88605
  H       0.61992       -4.76011       -1.24188
  C       3.67444       -2.37612       -1.23458
  H      -3.37026        6.50832       -0.87578
  H       3.37026       -6.50832       -0.87578
  H       4.12869       -3.37622       -1.33583
  C      -1.68456        4.48506       -1.21544
  P       1.84073       -2.62926       -1.54316
  C      -3.67444        2.37612       -1.23458
  H      -5.84045        0.97317       -0.88605
  H      -0.61992        4.76011       -1.24188
  P      -1.84073        2.62926       -1.54316
  H      -4.12869        3.37622       -1.33583
  H       2.18308       -4.97148       -2.06070
  H       4.03675       -1.76525       -2.06870
  H      -2.18308        4.97148       -2.06070
  H      -4.03675        1.76525       -2.06870
  C       1.77928       -2.57477       -3.39358
  H       2.69596       -3.01310       -3.80317
  C      -1.77928        2.57477       -3.39358
  H       0.93691       -3.16432       -3.76554
  H       1.68056       -1.54914       -3.75828
  H      -0.93691        3.16432       -3.76554
  H      -2.69596        3.01310       -3.80317
  H      -1.68056        1.54914       -3.75828
  Nb      0.01926        1.27606        0.00014
  Nb     -0.01926       -1.27606        0.00014
  H       0.00000        0.00000        1.41937
  H       0.00000        0.00000       -1.41902
     132
(4.H2)d
  H      -6.30603       -2.34463        0.87094
  H      -6.30261       -2.34212       -0.89521
  H      -3.77455       -3.95298        1.30210
  H      -3.76874       -3.94751       -1.32699
  C      -5.97665       -1.78880       -0.01070
  C      -2.67846       -3.85399        1.23568
  C      -2.67303       -3.84817       -1.25473
  H      -2.25123       -4.43202        2.06250
  H      -2.24142       -4.42194       -2.08225
  N      -2.12465       -4.40018       -0.00961
  H      -3.12300       -2.47946        3.83781
  H      -3.10738       -2.46539       -3.85117
  H      -6.46963       -0.80672       -0.01029
  N      -4.50493       -1.69720       -0.00784
  H      -3.39362       -6.14627       -0.01468
  C      -2.32839       -5.87092       -0.01351
  H      -1.86067       -6.30564       -0.90113
  H      -4.56330       -1.43767        2.04891
  H      -4.55589       -1.43074       -2.06381
  C      -2.25480       -1.94648        3.43510
  C      -3.90666       -1.20132        1.20577
  C      -2.24192       -1.93180       -3.44340
  C      -3.90261       -1.19655       -1.21746
  P      -2.26030       -2.05799        1.58821
  P      -2.25427       -2.05050       -1.59707
  H      -1.34963       -2.37072        3.86986
  H      -1.33411       -2.35240       -3.87617
  H      -2.32447       -0.89655        3.73638
  H      -2.31305       -0.88096       -3.74111
  H      -1.86101       -6.31032        0.87199
  H      -3.71764       -0.11866        1.18985
  H      -3.71481       -0.11373       -1.19718
  H       6.47002        0.80859       -0.00948
  C       5.97696        1.79065       -0.01084
  H       6.30311        2.34329       -0.89569
  H       6.30602        2.34713        0.87052
  H       3.71460        0.11504       -1.19665
  H       4.55643        1.43095       -2.06400
  H       3.71887        0.12049        1.19051
  N       4.50521        1.69879       -0.00813
  H       4.56352        1.44058        2.04882
  C       3.90288        1.19777       -1.21758
  C       3.90710        1.20331        1.20577
  H       2.31366        0.88004       -3.74066
  H       2.32402        0.90067        3.73785
  C       2.24223        1.93130       -3.44441
  H       3.10766        2.46442       -3.85287
  P       2.25441        2.05194       -1.59788
  P       2.26018        2.05940        1.58752
  C       2.25475        1.95008        3.43466
  H       3.12327        2.48343        3.83626
  H       3.76878        3.94938       -1.32725
  H       1.33442        2.35089       -3.87821
  H       3.77417        3.95439        1.30109
  C       2.67301        3.85039       -1.25560
  C       2.67804        3.85587        1.23462
  H       1.34990        2.37559        3.86882
  N       2.12477        4.40265       -0.01054
  H       2.24183        4.42420       -2.08334
  H       2.25086        4.43371        2.06159
  C       2.32859        5.87355       -0.01394
  H       1.85966        6.30900       -0.90056
  H       3.39385        6.14908       -0.01633
  H       1.86269        6.31240        0.87261
  H       0.55575       -3.31765        3.78598
  H       1.39469       -1.74899        3.79652
  H       2.32117       -3.27056        3.80945
  C       1.42805       -2.77301        3.41581
  H      -0.55664        3.31990        3.78629
  H      -1.39445        1.75065        3.79573
  C      -1.42836        2.77481        3.41547
  H      -2.32203        3.27148        3.80902
  H       3.73563       -2.13025        2.07181
  H       1.62343       -5.17709        2.07437
  P       1.46876       -2.81139        1.56372
  H      -1.62321        5.17943        2.07360
  C       1.16457       -4.65280        1.22939
  C       3.31943       -2.71830        1.24611
  P      -1.46846        2.81355        1.56334
  H       0.08190       -4.83900        1.25543
  H      -3.73521        2.13208        2.07147
  H       3.68137       -3.75342        1.36675
  C      -1.16434        4.65500        1.22871
  H       5.60697       -1.53213        0.89098
  C      -3.31914        2.72015        1.24575
  H      -2.73092        6.77558        0.89836
  H      -3.68134        3.75521        1.36642
  H       2.72993       -6.77350        0.90060
  H      -0.08170        4.84141        1.25465
  C       5.25197       -2.06435        0.00404
  N       3.77134       -2.09999        0.00350
  N       1.80959       -5.09683        0.01083
  C       2.13355       -6.54010        0.01498
  C      -2.13358        6.54195        0.01342
  H      -5.60662        1.53444        0.89110
  H       5.69737       -3.07080        0.00660
  H       1.23753       -7.17813        0.01469
  N      -1.80928        5.09866        0.00990
  H      -1.23770        7.18018        0.01384
  N      -3.77113        2.10197        0.00314
  C      -5.25172        2.06597        0.00375
  H      -5.69702        3.07251        0.00575
  C       1.16707       -4.65943       -1.21154
  H       5.60753       -1.53647       -0.88527
  H       0.08464       -4.84611       -1.23846
  C       3.32084       -2.72417       -1.23668
  H      -2.73273        6.77937       -0.86928
  H       2.73360       -6.77777       -0.86703
  H       3.68365       -3.75957       -1.35241
  C      -1.16655        4.66071       -1.21219
  P       1.47058       -2.81966       -1.55477
  C      -3.32057        2.72582       -1.23713
  H      -5.60729        1.53769       -0.88529
  H      -0.08412        4.84733       -1.23916
  P      -1.47029        2.82079       -1.55495
  H      -3.68310        3.76136       -1.35266
  H       1.62824       -5.18774       -2.05277
  H       3.73735       -2.13965       -2.06473
  H      -1.62757        5.18853       -2.05378
  H      -3.73735        2.14154       -2.06518
  C       1.43079       -2.79007       -3.40694
  H       2.32334       -3.29075       -3.79787
  C      -1.42964        2.79136       -3.40710
  H       0.55774       -3.33494       -3.77506
  H       1.39945       -1.76773       -3.79233
  H      -0.55591        3.33566       -3.77441
  H      -2.32156        3.29284       -3.79852
  H      -1.39883        1.76909       -3.79269
  Nb      0.19596        1.30079       -0.00012
  Nb     -0.19565       -1.30102        0.00037
  H       1.34405       -0.21505       -0.00034
  H      -1.34352        0.21466        0.00176
     134
4.H4
  H       3.06160        3.34440        1.88691
  H       1.29523        3.44745        1.63416
  H       2.41613        4.58285        0.78804
  C       2.27442        3.55416        1.15206
  H      -3.06160       -3.34440        1.88691
  H      -1.29523       -3.44745        1.63416
  C      -2.27442       -3.55416        1.15206
  H      -2.41613       -4.58285        0.78804
  H       1.08069        4.15167       -1.22022
  H       4.60245        3.34806       -0.41889
  P       2.39514        2.38238       -0.25233
  H      -4.60245       -3.34806       -0.41889
  C       4.23077        2.32953       -0.60977
  C       1.75713        3.41129       -1.67387
  P      -2.39514       -2.38238       -0.25233
  H       4.71562        1.66533        0.13858
  H      -1.08069       -4.15167       -1.22022
  H       2.64298        3.96355       -2.05034
  C      -4.23077       -2.32953       -0.60977
  H      -0.08462        4.46195       -3.20133
  C      -1.75713       -3.41129       -1.67387
  H      -5.87657       -3.55163       -2.29563
  H      -2.64298       -3.96355       -2.05034
  H       5.87657        3.55163       -2.29563
  H      -4.71562       -1.66533        0.13858
  C       0.53247        3.70412       -3.70423
  N       1.02901        2.72375       -2.72378
  N       4.50553        1.98003       -1.98001
  C       5.80349        2.46897       -2.46896
  C      -5.80349       -2.46897       -2.46896
  H       0.08462       -4.46195       -3.20133
  H       1.35457        4.22800       -4.22817
  H       6.65957        1.97335       -1.97337
  N      -4.50553       -1.98003       -1.98001
  H      -6.65957       -1.97335       -1.97337
  N      -1.02901       -2.72375       -2.72378
  C      -0.53247       -3.70412       -3.70423
  H      -1.35457       -4.22800       -4.22817
  C       4.23077        0.60978       -2.32949
  H      -0.08464        3.20117       -4.46200
  H       4.71564       -0.13856       -1.66530
  C       1.75708        1.67376       -3.41125
  H      -5.87654       -2.29563       -3.55163
  H       5.87654        2.29563       -3.55163
  H       2.64288        2.05016       -3.96363
  C      -4.23077       -0.60978       -2.32949
  P       2.39515        0.25233       -2.38226
  C      -1.75708       -1.67376       -3.41125
  H       0.08464       -3.20117       -4.46200
  H      -4.71564        0.13856       -1.66530
  P      -2.39515       -0.25233       -2.38226
  H      -2.64288       -2.05016       -3.96363
  H       4.60240        0.41889       -3.34803
  H       1.08058        1.22003       -4.15154
  H      -4.60240       -0.41889       -3.34803
  H      -1.08058       -1.22003       -4.15154
  C       2.27441       -1.15215       -3.55395
  H       2.41613       -0.78820       -4.58266
  C      -2.27441        1.15215       -3.55395
  H       3.06155       -1.88701       -3.34413
  H       1.29521       -1.63421       -3.44721
  H      -3.06155        1.88701       -3.34413
  H      -2.41613        0.78820       -4.58266
  H      -1.29521        1.63421       -3.44721
  Nb     -1.23521       -0.00005        0.00003
  H      -0.07890       -1.03957        1.03963
  H       0.07890        1.03957        1.03963
  H      -2.41598        4.58258       -0.78826
  H      -3.06144        3.34399       -1.88698
  H      -1.29509        3.44706       -1.63423
  C      -2.27428        3.55385       -1.15215
  H       1.29509       -3.44706       -1.63423
  H       3.06144       -3.34399       -1.88698
  H       2.41598       -4.58258       -0.78826
  C       2.27428       -3.55385       -1.15215
  H      -4.60223        3.34797        0.41886
  H      -1.08051        4.15157        1.22007
  H       1.08051       -4.15157        1.22007
  P      -2.39501        2.38222        0.25237
  H       4.60223       -3.34797        0.41886
  P       2.39501       -2.38222        0.25237
  C      -1.75700        3.41127        1.67379
  C      -4.23061        2.32942        0.60976
  H       0.07904       -1.03948       -1.03963
  C       1.75700       -3.41127        1.67379
  H      -2.64284        3.96360        2.05016
  C       4.23061       -2.32942        0.60976
  H      -4.71546        1.66523       -0.13860
  H       2.64284       -3.96360        2.05016
  H       4.71546       -1.66523       -0.13860
  H      -5.87703        3.55121        2.29517
  H       0.08463        4.46210        3.20128
  H      -0.08463       -4.46210        3.20128
  H       5.87703       -3.55121        2.29517
  C      -5.80372        2.46858        2.46857
  C      -0.53247        3.70431        3.70421
  Nb      1.23521        0.00005        0.00003
  N      -4.50549        1.97996        1.98001
  N      -1.02894        2.72383        2.72382
  H      -6.65951        1.97271        1.97274
  C       0.53247       -3.70431        3.70421
  H      -1.35461        4.22821        4.22806
  N       1.02894       -2.72383        2.72382
  C       5.80372       -2.46858        2.46857
  N       4.50549       -1.97996        1.98001
  H      -0.07904        1.03948       -1.03963
  H       1.35461       -4.22821        4.22806
  H       6.65951       -1.97271        1.97274
  H      -5.87704        2.29527        3.55122
  H       0.08462        3.20143        4.46206
  C      -4.23062        0.60975        2.32958
  C      -1.75703        1.67388        3.41133
  H      -0.08462       -3.20143        4.46206
  H       5.87704       -2.29527        3.55122
  C       4.23062       -0.60975        2.32958
  H      -4.71549       -0.13867        1.66548
  C       1.75703       -1.67388        3.41133
  P      -2.39501        0.25237        2.38237
  H      -2.64289        2.05031        3.96360
  P       2.39501       -0.25237        2.38237
  H       4.71549        0.13867        1.66548
  H       2.64289       -2.05031        3.96360
  H      -4.60223        0.41894        3.34816
  H      -1.08057        1.22023        4.15170
  H       1.08057       -1.22023        4.15170
  H       4.60223       -0.41894        3.34816
  C      -2.27423       -1.15212        3.55403
  C       2.27423        1.15212        3.55403
  H      -2.41572       -0.78818        4.58278
  H      -3.06152       -1.88686        3.34433
  H      -1.29511       -1.63431        3.44710
  H       1.29511        1.63431        3.44710
  H       3.06152        1.88686        3.34433
  H       2.41572        0.78818        4.58278
     134
(4.H4)b
  H      -6.34064       -2.33647        0.87139
  H      -6.33762       -2.33500       -0.89502
  H      -3.79790       -4.05339        1.29898
  H      -3.79225       -4.05070       -1.31945
  C      -5.98561       -1.79747       -0.01075
  C      -2.69925       -3.98048        1.23007
  C      -2.69396       -3.97743       -1.24573
  H      -2.28309       -4.55260        2.06665
  H      -2.27372       -4.54717       -2.08194
  N      -2.15971       -4.55095       -0.00741
  H      -3.07568       -2.52493        3.81049
  H      -3.05769       -2.51746       -3.82431
  H      -6.43025       -0.79256       -0.01073
  N      -4.51159       -1.77820       -0.00819
  H      -3.46500       -6.27090       -0.01247
  C      -2.39481       -6.01547       -0.00975
  H      -1.93273       -6.45953       -0.89588
  H      -4.53239       -1.54872        2.05218
  H      -4.52529       -1.54501       -2.06814
  C      -2.20050       -2.02596        3.38013
  C      -3.88914       -1.30576        1.20067
  C      -2.18696       -2.01568       -3.38825
  C      -3.88521       -1.30319       -1.21391
  P      -2.24782       -2.18781        1.53914
  P      -2.24213       -2.18374       -1.54807
  H      -1.30174       -2.45979        3.81558
  H      -1.28391       -2.44316       -3.82102
  H      -2.23865       -0.96571        3.64875
  H      -2.22943       -0.95464       -3.65330
  H      -1.93658       -6.46156        0.87731
  H      -3.68887       -0.22350        1.20418
  H      -3.68558       -0.22074       -1.21494
  H       6.43070        0.79421       -0.00298
  C       5.98604        1.79917       -0.00389
  H       6.33912        2.33643       -0.88786
  H       6.33995        2.33833        0.87861
  H       3.68709        0.22227       -1.21031
  H       4.52805        1.54610       -2.06311
  H       3.68809        0.22534        1.20861
  N       4.51200        1.77984       -0.00318
  H       4.53009        1.55121        2.05723
  C       3.88693        1.30467       -1.20955
  C       3.88803        1.30772        1.20496
  H       2.23428        0.95525       -3.65058
  H       2.23485        0.96841        3.65102
  C       2.19222        2.01646       -3.38638
  H       3.06398        2.51736       -3.82143
  P       2.24453        2.18527       -1.54621
  P       2.24590        2.18963        1.54083
  C       2.19616        2.02848        3.38172
  H       3.07038        2.52832        3.81294
  H       3.79458        4.05220       -1.31629
  H       1.29021        2.44440       -3.82093
  H       3.79611        4.05520        1.30211
  C       2.69616        3.97905       -1.24390
  C       2.69759        3.98232        1.23188
  H       1.29649        2.46184        3.81568
  N       2.16002        4.55280       -0.00643
  H       2.27728        4.54860       -2.08089
  H       2.28013        4.55445        2.06782
  C       2.39514        6.01738       -0.00844
  H       1.93410        6.46134       -0.89516
  H       3.46531        6.27291       -0.00976
  H       1.93582        6.46362        0.87802
  H       0.51889       -3.42948        3.76155
  H       1.23353       -1.79796        3.73799
  H       2.27218       -3.24546        3.78575
  C       1.34543       -2.82465        3.38070
  H      -0.52318        3.43426        3.75903
  H      -1.23801        1.80279        3.73575
  C      -1.34915        2.82916        3.37735
  H      -2.27650        3.25043        3.78054
  H       3.63794       -2.14322        2.07280
  H       1.62319       -5.24734        2.07632
  P       1.40355       -2.90043        1.53135
  H      -1.62532        5.25071        2.07070
  C       1.14943       -4.74403        1.22649
  C       3.25307       -2.74271        1.24043
  P      -1.40482        2.90343        1.52775
  H       0.07077       -4.95910        1.25592
  H      -3.63961        2.14654        2.06740
  H       3.64789       -3.76635        1.35957
  C      -1.15046        4.74687        1.22182
  H       5.51167       -1.49270        0.89260
  C      -3.25395        2.74546        1.23501
  H      -2.69409        6.88173        0.88983
  H      -3.64893        3.76915        1.35314
  H       2.69371       -6.87901        0.89783
  H      -0.07189        4.96216        1.25227
  C       5.17046       -2.03342        0.00546
  N       3.69167       -2.10510        0.00433
  N       1.80386       -5.18648        0.00984
  C       2.09991       -6.63493        0.01325
  C      -2.09953        6.63677        0.00600
  H      -5.51182        1.49548        0.88609
  H       5.64011       -3.02893        0.00848
  H       1.19211       -7.25662        0.01419
  N      -1.80354        5.18833        0.00412
  H      -1.19170        7.25841        0.00724
  N      -3.69132        2.10698       -0.00114
  C      -5.17009        2.03518       -0.00141
  H      -5.63987        3.03064        0.00005
  C       1.15106       -4.74926       -1.20968
  H       5.51288       -1.49737       -0.88401
  H       0.07233       -4.96345       -1.23881
  C       3.25529       -2.74850       -1.22966
  H      -2.69338        6.88411       -0.87762
  H       2.69463       -6.88308       -0.86960
  H       3.65024       -3.77273       -1.34328
  C      -1.14945        4.75004       -1.21430
  P       1.40633       -2.90724       -1.52317
  C      -3.25359        2.74927       -1.23511
  H      -5.51184        1.49811       -0.89055
  H      -0.07068        4.96414       -1.24253
  P      -1.40433        2.90763       -1.52651
  H      -3.64814        3.77350       -1.34977
  H       1.62559       -5.25675       -2.05655
  H       3.64178       -2.15301       -2.06414
  H      -1.62303        5.25683       -2.06212
  H      -3.63938        2.15325       -2.06954
  C       1.35222       -2.84159       -3.37311
  H       2.27786       -3.26917       -3.77364
  C      -1.34787        2.84039       -3.37622
  H       0.52358       -3.44464       -3.75230
  H       1.24637       -1.81646       -3.73668
  H      -0.51899        3.44341       -3.75498
  H      -2.27317        3.26725       -3.77825
  H      -1.24117        1.81494       -3.73857
  Nb      0.19576        1.26882       -0.00086
  Nb     -0.19568       -1.26741       -0.00020
  H       1.43997       -0.22917        0.00078
  H      -1.43987        0.23094       -0.00182
  H      -0.00173        0.00170        1.47254
  H       0.00146        0.00002       -1.47349
     136
4.H6
  H      -0.89160        3.24509       -3.76997
  H      -1.64838        3.59008       -2.19487
  H      -2.66490        3.33045       -3.64739
  C      -1.74986        3.01460       -3.12380
  H       3.59285        1.71407        2.99437
  H       3.64299        1.38383        1.23815
  C       3.70109        0.93077        2.23423
  H       4.68482        0.45756        2.37201
  H      -3.93854        1.94568       -1.87942
  H      -2.44553        1.25002       -5.10139
  P      -1.80651        1.20753       -2.76798
  H       3.52125       -0.62357        4.51482
  C      -1.87515        0.51389       -4.51521
  C      -3.59995        0.98006       -2.28366
  P       2.34070       -0.29451        2.41799
  H      -0.84918        0.50280       -4.93346
  H       3.88006       -1.43020        0.91725
  H      -4.15407        0.82174       -3.23084
  C       2.45605       -0.68661        4.24562
  H      -5.54907        0.99573       -0.52307
  C       3.21368       -1.79639        1.70655
  H       3.58454       -2.47379        5.84579
  H       3.78998       -2.31606        2.48405
  H      -3.78446       -0.19312       -6.20796
  H       1.93938        0.12645        4.80048
  C      -5.29325       -0.00117       -0.91401
  N      -3.87381       -0.04746       -1.29405
  N      -2.56180       -0.75220       -4.58283
  C      -3.14665       -1.03365       -5.90024
  C       2.48632       -2.51292        5.85040
  H       3.79473       -3.35797       -0.35790
  H      -5.96926       -0.20818       -1.76597
  H      -2.38048       -1.19746       -6.68231
  N       1.97001       -2.00889        4.56685
  H       2.11845       -1.92814        6.71453
  N       2.30738       -2.79805        1.05495
  C       3.10772       -3.84512        0.34215
  H       3.68209       -4.41810        1.08097
  C      -1.86527       -1.87875       -4.00898
  H      -5.50012       -0.74392       -0.13163
  H      -0.85004       -2.04312       -4.42693
  C      -3.52714       -1.40041       -1.70700
  H       2.18447       -3.56108        5.98428
  H      -3.77845       -1.93079       -5.83809
  H      -4.12390       -1.74206       -2.57678
  C       0.54290       -2.17529        4.42464
  P      -1.73986       -1.73853       -2.14750
  C       1.31394       -3.44245        1.97299
  H       2.42762       -4.51827       -0.19346
  H      -0.05440       -1.38092        4.92014
  P       0.00000       -2.26831        2.62471
  H       1.86750       -3.88230        2.81362
  H      -2.44386       -2.79190       -4.21648
  H      -3.75778       -2.07886       -0.87155
  H       0.24820       -3.12935        4.88614
  H       0.82238       -4.23912        1.39949
  C      -1.56327       -3.48448       -1.60860
  H      -2.41627       -4.09072       -1.94909
  C      -1.40509       -3.45670        2.74960
  H      -0.63963       -3.91479       -2.01517
  H      -1.51152       -3.50618       -0.51165
  H      -2.10931       -3.10031        3.51369
  H      -1.05435       -4.45429        3.05563
  H      -1.93665       -3.53138        1.79136
  Nb      0.00000        0.00000        1.39734
  H       1.44222        0.16525       -0.02014
  H      -0.22574        1.47646       -0.07163
  H       1.73760       -2.25506        0.36651
  H      -4.68482       -0.45756        2.37201
  H      -3.59285       -1.71407        2.99437
  H      -3.64299       -1.38383        1.23815
  C      -3.70109       -0.93077        2.23423
  H       1.64838       -3.59008       -2.19487
  H       0.89160       -3.24509       -3.76997
  H       2.66490       -3.33045       -3.64739
  C       1.74986       -3.01460       -3.12380
  H      -3.52125        0.62357        4.51482
  H      -3.88006        1.43020        0.91725
  H       3.93854       -1.94568       -1.87942
  P      -2.34070        0.29451        2.41799
  H       2.44553       -1.25002       -5.10139
  P       1.80651       -1.20753       -2.76798
  C      -3.21368        1.79639        1.70655
  C      -2.45605        0.68661        4.24562
  H       0.22574       -1.47646       -0.07163
  C       3.59995       -0.98006       -2.28366
  H      -3.78998        2.31606        2.48405
  C       1.87515       -0.51389       -4.51521
  H      -1.93938       -0.12645        4.80048
  H       4.15407       -0.82174       -3.23084
  H       0.84918       -0.50280       -4.93346
  H      -3.58454        2.47379        5.84579
  H      -3.79473        3.35797       -0.35790
  H       5.54907       -0.99573       -0.52307
  H       3.78446        0.19312       -6.20796
  C      -2.48632        2.51292        5.85040
  C      -3.10772        3.84512        0.34215
  Nb      0.00000        0.00000       -1.17718
  N      -1.97001        2.00889        4.56685
  N      -2.30738        2.79805        1.05495
  H      -2.11845        1.92814        6.71453
  C       5.29325        0.00117       -0.91401
  H      -3.68209        4.41810        1.08097
  N       3.87381        0.04746       -1.29405
  C       3.14665        1.03365       -5.90024
  N       2.56180        0.75220       -4.58283
  H      -1.73760        2.25506        0.36651
  H      -1.44222       -0.16525       -0.02014
  H       5.96926        0.20818       -1.76597
  H       2.38048        1.19746       -6.68231
  H      -2.18447        3.56108        5.98428
  H      -2.42762        4.51827       -0.19346
  C      -0.54290        2.17529        4.42464
  C      -1.31394        3.44245        1.97299
  H       5.50012        0.74392       -0.13163
  H       3.77845        1.93079       -5.83809
  C       1.86527        1.87875       -4.00898
  H       0.05440        1.38092        4.92014
  C       3.52714        1.40041       -1.70700
  P       0.00000        2.26831        2.62471
  H      -1.86750        3.88230        2.81362
  P       1.73986        1.73853       -2.14750
  H       0.85004        2.04312       -4.42693
  H       4.12390        1.74206       -2.57678
  H      -0.24820        3.12935        4.88614
  H      -0.82238        4.23912        1.39949
  H       3.75778        2.07886       -0.87155
  H       2.44386        2.79190       -4.21648
  C       1.40509        3.45670        2.74960
  C       1.56327        3.48448       -1.60860
  H       1.05435        4.45429        3.05563
  H       2.10931        3.10031        3.51369
  H       1.93665        3.53138        1.79136
  H       1.51152        3.50618       -0.51165
  H       0.63963        3.91479       -2.01517
  H       2.41627        4.09072       -1.94909
     136
(4.H6)b
  H      -6.43542       -2.32278        0.86776
  H      -6.43114       -2.32041       -0.89857
  H      -3.78277       -4.14059        1.31666
  H      -3.77570       -4.13689       -1.34194
  C      -6.03592       -1.81485       -0.01376
  C      -2.68741       -4.04546        1.23103
  C      -2.68086       -4.04161       -1.24996
  H      -2.25187       -4.60589        2.06615
  H      -2.24058       -4.59926       -2.08449
  N      -2.15972       -4.62389       -0.00891
  H      -3.11894       -2.63403        3.79058
  H      -3.09706       -2.62269       -3.80757
  H      -6.40696       -0.77662       -0.01325
  N      -4.56807       -1.90838       -0.01032
  H      -3.49610       -6.31775       -0.01545
  C      -2.42106       -6.08180       -0.01177
  H      -1.96810       -6.53592       -0.89803
  H      -4.57856       -1.75936        2.05060
  H      -4.56837       -1.75305       -2.07085
  C      -2.25802       -2.10407        3.36920
  C      -3.94435       -1.45951        1.21013
  C      -2.24096       -2.09062       -3.37905
  C      -3.93843       -1.45559       -1.22631
  P      -2.25273       -2.23920        1.52079
  P      -2.24512       -2.23403       -1.53118
  H      -1.34758       -2.51054        3.80827
  H      -1.32603       -2.48983       -3.81541
  H      -2.32474       -1.04871        3.65318
  H      -2.31173       -1.03417       -3.65811
  H      -1.97380       -6.53835        0.87610
  H      -3.82538       -0.35777        1.27956
  H      -3.81945       -0.35352       -1.29176
  H       6.40712        0.77841       -0.00522
  C       6.03610        1.81665       -0.00690
  H       6.43233        2.32153       -0.89164
  H       6.43456        2.32523        0.87471
  H       3.82092        0.35496       -1.28696
  H       4.57134        1.75384       -2.06574
  H       3.82441        0.35971        1.28434
  N       4.56826        1.91012       -0.00529
  H       4.57617        1.76188        2.05573
  C       3.94017        1.45696       -1.22193
  C       3.94308        1.46150        1.21460
  H       2.31687        1.03437       -3.65533
  H       2.31974        1.05177        3.65613
  C       2.24542        2.09099       -3.37716
  H       3.10179        2.62307       -3.80516
  P       2.24748        2.23545       -1.52940
  P       2.25096        2.24120        1.52285
  C       2.25410        2.10701        3.37139
  H       3.11499        2.63658        3.79335
  H       3.77770        4.13819       -1.33894
  H       1.33077        2.48955       -3.81474
  H       3.78127        4.14283        1.31967
  C       2.68275        4.04287       -1.24842
  C       2.68603        4.04759        1.23264
  H       1.34352        2.51437        3.80936
  N       2.15992        4.62553       -0.00834
  H       2.24351        4.60020       -2.08371
  H       2.24934        4.60839        2.06695
  C       2.42131        6.08347       -0.01164
  H       1.96960        6.53711       -0.89879
  H       3.49635        6.31943       -0.01419
  H       1.97276        6.54053        0.87534
  H       0.47318       -3.48831        3.79571
  H       1.24866       -1.88967        3.78162
  H       2.23156       -3.38130        3.79417
  C       1.31873       -2.91459        3.40805
  H      -0.47681        3.49298        3.79331
  H      -1.25225        1.89427        3.77964
  C      -1.32191        2.91888        3.40514
  H      -2.23522        3.38589        3.78973
  H       3.60046       -2.25620        2.09467
  H       1.55685       -5.30550        2.07854
  P       1.29228       -2.94299        1.55142
  H      -1.55840        5.30872        2.07388
  C       1.09212       -4.79361        1.22920
  C       3.16113       -2.84704        1.28712
  P      -1.29340        2.94581        1.54846
  H       0.01747       -5.02375        1.23047
  H      -3.60204        2.25886        2.08965
  H       3.58066       -3.85532        1.30846
  C      -1.09291        4.79627        1.22530
  H       5.45458       -1.55809        0.90263
  C      -3.16194        2.84930        1.28221
  H      -2.61622        6.94327        0.89283
  H      -3.58156        3.85754        1.30257
  H       2.61549       -6.94096        0.89991
  H      -0.01826        5.02655        1.22758
  C       5.13507       -2.09378        0.00825
  N       3.62585       -2.20047        0.00651
  N       1.76960       -5.22154        0.01066
  C       2.03094       -6.67961        0.01397
  C      -2.03063        6.68137        0.00774
  H      -5.45557        1.55999        0.89558
  H       5.55151       -3.10229        0.01055
  H       1.10692       -7.27645        0.01412
  N      -1.76911        5.22331        0.00577
  H      -1.10667        7.27831        0.00848
  N      -3.62546        2.20205        0.00144
  C      -5.13469        2.09551        0.00153
  H      -5.55105        3.10406        0.00303
  C       1.09520       -4.79850       -1.21133
  H       5.45712       -1.56115       -0.88711
  H       0.02046       -5.02781       -1.21392
  C       3.16439       -2.85204       -1.27273
  H      -2.61635        6.94568       -0.87655
  H       2.61757       -6.94461       -0.86951
  H       3.58386       -3.86043       -1.28891
  C      -1.09351        4.79931       -1.21527
  P       1.29636       -2.94929       -1.54099
  C      -3.16279        2.85303       -1.27765
  H      -5.45547        1.56275       -0.89416
  H      -0.01869        5.02834       -1.21685
  P      -1.29442        2.94996       -1.54390
  H      -3.58245        3.86133       -1.29483
  H       1.56186       -5.31405       -2.05738
  H       3.60582       -2.26452       -2.08157
  H      -1.55920        5.31435       -2.06217
  H      -3.60328        2.26500       -2.08663
  C       1.32671       -2.93010       -3.39774
  H       2.23952       -3.40035       -3.77955
  C      -1.32265        2.92926       -3.40057
  H       0.48094       -3.50461       -3.78402
  H       1.25924       -1.90705       -3.77684
  H      -0.47637        3.50329       -3.78637
  H      -2.23501        3.39926       -3.78376
  H      -1.25484        1.90586       -3.77870
  Nb      0.21556        1.31630        0.00028
  Nb     -0.21509       -1.31462        0.00047
  H       1.43414       -0.25747        0.00174
  H      -1.43372        0.26007       -0.00069
  H       0.00026        0.00064        1.46051
  H       0.00089        0.00035       -1.45950
  H       3.21546       -1.25176        0.00431
  H      -3.21513        1.25331       -0.00018
     136
(4.H6)c
  H      -1.69558        3.41248        2.91543
  H      -2.38387        1.76758        2.80713
  H      -3.42010        3.19863        2.57875
  C      -2.42356        2.78062        2.39926
  H       2.09639       -4.14857        2.74781
  H       2.96681       -2.59770        2.77555
  C       2.80126       -3.51400        2.20332
  H       3.74503       -4.06272        2.11443
  H      -4.14876        1.49685        0.73444
  H      -2.97392        4.98504        0.75058
  P      -2.08838        2.73161        0.58324
  H       2.80265       -5.42370        0.18378
  C      -2.17720        4.55762        0.13166
  C      -3.73755        2.11237       -0.06951
  P       2.12238       -3.10930        0.53234
  H      -1.23582        5.05185        0.43496
  H       4.36783       -2.10289        0.45241
  H      -4.37264        3.00975       -0.17447
  C       1.98770       -4.82700       -0.23975
  H      -5.50697        0.31878       -0.74176
  C       3.71538       -2.54361       -0.30479
  H       3.40035       -6.50008       -1.73702
  H       4.21293       -3.40504       -0.75657
  H      -3.85001        6.34953       -0.86330
  H       1.04197       -5.28431        0.09831
  C      -5.07953        0.84714       -1.59804
  N      -3.70693        1.29261       -1.27802
  N      -2.52397        4.76088       -1.26163
  C      -3.01008        6.13062       -1.52738
  C       2.48762       -6.14499       -2.22183
  H       5.54160       -0.78550       -1.04721
  H      -5.75044        1.68424       -1.84840
  H      -2.23151        6.89461       -1.37667
  N       2.13965       -4.80561       -1.68766
  H       1.68977       -6.88419       -2.05856
  N       3.56181       -1.49870       -1.38261
  C       4.92553       -1.08603       -1.89284
  H       5.38123       -1.93625       -2.40299
  C      -1.50499        4.34067       -2.20231
  H      -5.05364        0.16262       -2.45108
  H      -0.50955        4.78086       -2.01020
  C      -3.14712        1.95766       -2.44830
  H       2.68126       -6.06682       -3.29460
  H      -3.36993        6.19308       -2.55747
  H      -3.69999        2.86879       -2.73597
  C       1.00357       -4.22608       -2.38814
  P      -1.34880        2.46011       -2.30520
  C       2.69926       -1.90688       -2.55298
  H       4.80562       -0.25532       -2.58975
  H       0.03120       -4.65913       -2.09377
  P       0.90775       -2.35451       -2.18081
  H       3.18973       -2.76037       -3.02710
  H      -1.80772        4.66564       -3.20359
  H      -3.20247        1.25764       -3.28891
  H       1.12685       -4.41238       -3.46030
  H       2.70162       -1.05911       -3.24193
  C      -0.78090        2.23390       -4.04733
  H      -1.47970        2.72495       -4.73315
  C       0.13803       -1.81885       -3.77052
  H       0.21394        2.65818       -4.19704
  H      -0.74730        1.16980       -4.29233
  H      -0.89024       -2.18121       -3.83268
  H       0.69673       -2.21220       -4.62651
  H       0.12721       -0.72812       -3.81003
  Nb      0.07338       -1.32886        0.20115
  H       1.01681       -0.91071        1.63548
  H      -0.79402        0.18629        0.95394
  H       3.11342       -0.67753       -0.93023
  H      -3.96961       -3.18091       -1.91358
  H      -2.35096       -3.46110       -2.56765
  H      -2.96690       -1.79205       -2.39912
  C      -2.94797       -2.78679       -1.94662
  H       2.53893        2.75297       -3.29161
  H       1.63241        4.26308       -3.05141
  H       3.37095        4.22445       -2.72652
  C       2.44503        3.64266       -2.66326
  H      -3.17136       -4.93961       -0.19347
  H      -4.31847       -1.44927       -0.01807
  H       4.37878        2.33394       -1.24387
  P      -2.26170       -2.68628       -0.23156
  H       2.68617        5.50849       -0.62746
  P       2.12186        3.16287       -0.90681
  C      -3.76037       -2.04761        0.70640
  C      -2.27568       -4.50422        0.26304
  H       0.73803        1.05149       -1.91266
  C       3.84179        2.65812       -0.34572
  H      -4.36495       -2.93910        0.95016
  C       1.99154        4.85941       -0.08321
  H      -1.40398       -5.00925       -0.19622
  H       4.32919        3.57765        0.01720
  H       0.97736        5.26464       -0.24583
  H      -3.74520       -6.27309        1.57228
  H      -5.35768       -0.21282        1.65509
  H       5.87439        1.09723       -0.01072
  H       3.55689        6.57923        1.18749
  C      -2.79575       -6.05094        2.06596
  C      -4.78457       -0.73277        2.42754
  Nb      0.10854        1.37882       -0.29804
  N      -2.36299       -4.68782        1.69794
  N      -3.49923       -1.20225        1.86798
  H      -2.06107       -6.82115        1.78240
  C       5.33387        1.28191        0.92133
  H      -5.40597       -1.55636        2.81361
  N       3.90755        1.56455        0.63172
  C       2.77215        6.15900        1.82146
  N       2.39408        4.82400        1.30902
  H      -0.83870       -0.12043       -1.00228
  H       5.83444        2.11949        1.43132
  H       1.92391        6.85998        1.84644
  H      -2.95779       -6.10028        3.14566
  H      -4.59442       -0.03427        3.24773
  C      -1.19010       -4.25950        2.43192
  C      -2.73647       -1.85083        2.92787
  H       5.41383        0.39921        1.56412
  H       3.17395        6.05646        2.83264
  C       1.45855        4.14372        2.18249
  H      -0.24865       -4.71438        2.06832
  C       3.25651        1.86154        1.91637
  P      -0.99721       -2.37920        2.47089
  H      -3.23518       -2.74848        3.33304
  P       1.42586        2.27582        1.91319
  H       0.42567        4.53235        2.11873
  H       3.75049        2.69611        2.44197
  H      -1.30820       -4.56840        3.47594
  H      -2.62943       -1.13386        3.74892
  H       3.35444        0.97070        2.54536
  H       1.78876        4.28674        3.21693
  C      -0.14103       -2.14454        4.09095
  C       0.94554        1.67817        3.59152
  H      -0.71662       -2.62931        4.88688
  H       0.86417       -2.57027        4.07878
  H      -0.06549       -1.07976        4.32091
  H       0.97996        0.58795        3.59949
  H      -0.06371        2.00469        3.85087
  H       1.64216        2.06763        4.34185
  H       1.45998       -0.09340       -0.25399
     136
(4.H6)d
  H      -4.04542       -2.63737        2.12132
  H      -2.39184       -3.29833        2.08189
  H      -3.71630       -4.12674        1.23169
  C      -3.30459       -3.14764        1.49919
  H       4.04542        2.63737        2.12132
  H       2.39184        3.29833        2.08189
  C       3.30459        3.14764        1.49919
  H       3.71630        4.12674        1.23169
  H      -1.79465       -4.27064       -0.47927
  H      -5.22339       -2.97280       -0.45248
  P      -2.95335       -2.17581       -0.04563
  H       5.22339        2.97280       -0.45248
  C      -4.71566       -2.03552       -0.70581
  C      -2.29064       -3.55542       -1.14536
  P       2.95335        2.17581       -0.04563
  H      -5.22923       -1.22537       -0.15343
  H       1.79465        4.27064       -0.47927
  H      -3.16646       -4.06492       -1.58359
  C       4.71566        2.03552       -0.70581
  H      -0.30639       -4.98120       -2.10310
  C       2.29064        3.55542       -1.14536
  H       6.41264        3.16324       -2.39701
  H       3.16646        4.06492       -1.58359
  H      -6.41264       -3.16324       -2.39701
  H       5.22923        1.22537       -0.15343
  C      -0.75131       -4.30117       -2.83640
  N      -1.31533       -3.12961       -2.14085
  N      -4.76566       -1.87379       -2.14642
  C      -6.10489       -2.15821       -2.69696
  C       6.10489        2.15821       -2.69696
  H       0.30639        4.98120       -2.10310
  H      -1.50256       -4.86484       -3.41219
  H      -6.86641       -1.43914       -2.35531
  N       4.76566        1.87379       -2.14642
  H       6.86641        1.43914       -2.35531
  N       1.31533        3.12961       -2.14085
  C       0.75131        4.30117       -2.83640
  H       1.50256        4.86484       -3.41219
  C      -4.22972       -0.61462       -2.62342
  H       0.03214       -3.97537       -3.52772
  H      -4.69637        0.27145       -2.15273
  C      -1.82929       -2.17180       -3.10977
  H       6.06122        2.13079       -3.78888
  H      -6.06122       -2.13079       -3.78888
  H      -2.69690       -2.55013       -3.67709
  C       4.22972        0.61462       -2.62342
  P      -2.36003       -0.49853       -2.41563
  C       1.82929        2.17180       -3.10977
  H      -0.03214        3.97537       -3.52772
  H       4.69637       -0.27145       -2.15273
  P       2.36003        0.49853       -2.41563
  H       2.69690        2.55013       -3.67709
  H      -4.42224       -0.54675       -3.69989
  H      -1.03100       -1.96357       -3.82877
  H       4.42224        0.54675       -3.69989
  H       1.03100        1.96357       -3.82877
  C      -1.92760        0.61344       -3.83177
  H      -2.16952        0.11542       -4.77693
  C       1.92760       -0.61344       -3.83177
  H      -2.49227        1.54637       -3.78492
  H      -0.86361        0.85302       -3.81100
  H       2.49227       -1.54637       -3.78492
  H       2.16952       -0.11542       -4.77693
  H       0.86361       -0.85302       -3.81100
  Nb      1.37437        0.01881        0.08195
  H       0.05779        1.07268        1.09394
  H      -0.05779       -1.07268        1.09394
  H       3.62916       -4.04188       -1.32520
  H       3.87039       -2.54879       -2.23623
  H       2.22131       -3.19753       -2.02910
  C       3.19333       -3.06242       -1.54915
  H      -2.22131        3.19753       -2.02910
  H      -3.87039        2.54879       -2.23623
  H      -3.62916        4.04188       -1.32520
  C      -3.19333        3.06242       -1.54915
  H       5.25257       -2.98890        0.30230
  H       1.81729       -4.18692        0.50769
  H      -1.81729        4.18692        0.50769
  P       2.99899       -2.07677        0.00833
  H      -5.25257        2.98890        0.30230
  P      -2.99899        2.07677        0.00833
  C       2.38566       -3.48531        1.12240
  C       4.79117       -2.04258        0.60542
  H      -0.10206        1.04407       -0.88300
  C      -2.38566        3.48531        1.12240
  H       3.22407       -4.00516        1.59173
  C      -4.79117        2.04258        0.60542
  H       5.30867       -1.23463        0.06007
  H      -3.22407        4.00516        1.59173
  H      -5.30867        1.23463        0.06007
  H       6.51525       -3.28738        2.18617
  H       0.34728       -4.85462        2.18961
  H      -0.34728        4.85462        2.18961
  H      -6.51525        3.28738        2.18617
  C       6.26806       -2.27761        2.52345
  C       0.84418       -4.22311        2.92760
  Nb     -1.37437       -0.01881        0.08195
  N       4.90764       -1.92646        2.05464
  N       1.45677       -3.03746        2.22218
  H       7.03559       -1.58340        2.14996
  C      -0.84418        4.22311        2.92760
  H       1.63491       -4.78795        3.42454
  N      -1.45677        3.03746        2.22218
  C      -6.26806        2.27761        2.52345
  N      -4.90764        1.92646        2.05464
  H       0.70402       -2.48848        1.75377
  H       0.10206       -1.04407       -0.88300
  H      -0.70402        2.48848        1.75377
  H      -1.63491        4.78795        3.42454
  H      -7.03559        1.58340        2.14996
  H       6.28852       -2.26991        3.61644
  H       0.12489       -3.86609        3.66661
  C       4.47803       -0.63767        2.57582
  C       2.09311       -2.09397        3.20923
  H      -0.12489        3.86609        3.66661
  H      -6.28852        2.26991        3.61644
  C      -4.47803        0.63767        2.57582
  H       4.94848        0.22488        2.07213
  C      -2.09311        2.09397        3.20923
  P       2.60735       -0.42630        2.47752
  H       2.96817       -2.59668        3.62733
  P      -2.60735        0.42630        2.47752
  H      -4.94848       -0.22488        2.07213
  H      -2.96817        2.59668        3.62733
  H       4.75023       -0.58574        3.63596
  H       1.35754       -1.92221        3.99858
  H      -1.35754        1.92221        3.99858
  H      -4.75023        0.58574        3.63596
  C       2.26523        0.65273        3.94603
  C      -2.26523       -0.65273        3.94603
  H       2.65739        0.20235        4.86402
  H       2.74211        1.62667        3.81506
  H       1.18711        0.80314        4.05126
  H      -1.18711       -0.80314        4.05126
  H      -2.74211       -1.62667        3.81506
  H      -2.65739       -0.20235        4.86402
     138
4.H8
  H       3.37634        2.25997        2.78181
  H       1.64729        2.68648        2.65614
  H       2.91190        3.86932        2.18137
  C       2.63116        2.80509        2.18600
  H      -3.64232       -3.21325        1.62926
  H      -1.88392       -3.50490        1.62258
  C      -2.78048       -3.45558        0.99224
  H      -2.97167       -4.43895        0.53621
  H       1.05067        4.04237        0.35655
  H       4.66670        3.38396        0.45863
  P       2.58901        2.11862        0.47399
  H      -4.65237       -3.28640       -0.93083
  C       4.35257        2.46563       -0.05948
  C       1.73093        3.57644       -0.36834
  P      -2.58309       -2.14052       -0.29797
  H       4.98298        1.63918        0.33205
  H      -1.05632       -3.93349       -1.04690
  H       2.46179        4.32221       -0.70980
  C      -4.31380       -2.24373       -1.02701
  H      -0.56807        4.66328       -1.16390
  C      -1.68973       -3.21296       -1.58129
  H      -5.71228       -3.41859       -2.94501
  H      -2.41170       -3.76165       -2.20174
  H       5.76385        4.33906       -1.30094
  H      -4.97206       -1.62771       -0.37753
  C       0.03872        4.30946       -2.00556
  N       0.89561        3.17446       -1.54351
  N       4.48259        2.67158       -1.48403
  C       5.71469        3.38766       -1.84893
  C      -5.60660       -2.33255       -3.07782
  H       0.62146       -4.01704       -2.64955
  H       0.68036        5.12363       -2.36577
  H       6.62739        2.80460       -1.62190
  N      -4.37436       -1.87271       -2.42454
  H      -6.51188       -1.84171       -2.67092
  N      -0.78947       -2.44270       -2.49111
  C       0.05833       -3.35248       -3.31656
  H      -0.57887       -3.94931       -3.98111
  C       4.26913        1.48009       -2.27254
  H      -0.60928        3.96134       -2.81803
  H       4.88785        0.61877       -1.94795
  C       1.69262        2.60866       -2.67687
  H      -5.55405       -2.12485       -4.15606
  H       5.70473        3.61489       -2.92419
  H       2.47173        3.33604       -2.94070
  C      -4.09295       -0.47783       -2.68673
  P       2.47291        0.94364       -2.26713
  C      -1.51383       -1.45435       -3.34328
  H       0.75386       -2.74922       -3.91210
  H      -4.72800        0.22145       -2.10337
  P      -2.30066       -0.05089       -2.34350
  H      -2.28552       -1.99369       -3.90854
  H       4.53475        1.69261       -3.31915
  H       1.00738        2.48546       -3.52458
  H      -4.28490       -0.27523       -3.75127
  H      -0.77807       -1.03192       -4.03865
  C       2.30485        0.12177       -3.90265
  H       2.62148        0.78331       -4.72302
  C      -2.02078        1.28359       -3.59558
  H       2.92428       -0.78371       -3.92171
  H       1.25583       -0.16698       -4.04964
  H      -2.63268        2.16106       -3.35849
  H      -2.27856        0.94552       -4.61096
  H      -0.96124        1.57065       -3.57024
  Nb     -1.38641        0.05588        0.02775
  H       0.01329       -1.31698        0.40321
  H       0.10443        0.91550        0.98643
  H       0.28266        2.37878       -1.21362
  H      -0.13171       -1.88361       -1.87414
  H      -4.10416        4.03451       -0.65223
  H      -4.18823        2.72952       -1.85195
  H      -2.64211        3.57522       -1.58158
  C      -3.54502        3.19408       -1.09061
  H       3.35228       -2.51761       -2.59399
  H       4.80295       -1.51210       -2.29667
  H       4.78010       -3.20390       -1.75483
  C       4.16163       -2.30313       -1.88456
  H      -5.48072        2.44245        0.54303
  H      -2.26097        4.04463        1.18051
  H       2.66051       -4.09496       -0.51616
  P      -3.11034        1.92705        0.19533
  H       5.71777       -2.37119        0.39132
  P       3.44488       -1.76764       -0.27287
  C      -2.70927        3.13686        1.60653
  C      -4.88399        1.53400        0.71179
  H       1.35763       -1.44649       -1.37825
  C       2.89128       -3.46640        0.35379
  H      -3.60923        3.40512        2.17507
  C       5.01085       -1.60602        0.74568
  H      -5.26083        0.76108        0.00912
  H       3.67340       -3.94786        0.95532
  H       5.46164       -0.61656        0.51298
  H      -6.74306        2.32912        2.42902
  H      -0.57858        4.33897        2.73955
  H       0.78470       -5.13029        0.32874
  H       6.51868       -2.95735        2.46030
  C      -6.39348        1.30117        2.59992
  C      -1.04878        3.59302        3.39300
  Nb      1.44048       -0.11695       -0.12622
  N      -5.01928        1.15729        2.10167
  N      -1.71010        2.55287        2.55372
  H      -7.09956        0.60577        2.10615
  C       0.98683       -4.71768        1.32537
  H      -1.80033        4.08480        4.02402
  N       1.64474       -3.38538        1.17849
  C       6.00342       -2.09752        2.91076
  N       4.77357       -1.81184        2.15778
  H      -1.00019        2.07551        1.92422
  H       0.01192        0.65811       -1.17398
  H       1.01317       -2.71300        0.65472
  H       1.65473       -5.39658        1.87093
  H       6.70199       -1.23905        2.92395
  H      -6.41693        1.10927        3.68215
  H      -0.29392        3.11660        4.03106
  C      -4.43961       -0.12288        2.43108
  C      -2.26818        1.43572        3.37680
  H       0.04979       -4.59702        1.88166
  H       5.75057       -2.35848        3.94815
  C       3.96191       -0.78897        2.76853
  H      -4.80814       -0.95599        1.79562
  C       1.85425       -2.71269        2.49765
  P      -2.56947       -0.11188        2.31990
  H      -3.20577        1.77723        3.83445
  P       2.16117       -0.86841        2.24855
  H       4.32145        0.24271        2.56605
  H       2.70228       -3.18955        3.00663
  H      -4.69935       -0.37088        3.47168
  H      -1.53537        1.21199        4.16195
  H       0.93807       -2.85182        3.08547
  H       3.97603       -0.92745        3.86021
  C      -2.19026       -1.39852        3.60536
  C       1.34398       -0.17505        3.74390
  H      -2.37461       -1.01967        4.62200
  H      -2.84258       -2.26643        3.45043
  H      -1.14843       -1.73196        3.52195
  H       0.27512       -0.05064        3.54351
  H       1.78191        0.80707        3.96424
  H       1.49056       -0.82290        4.62116
     138
(4.H8)b
  H      -3.11019        3.74628        2.09524
  H      -3.60079        2.04247        1.98161
  H      -4.50357        3.30667        1.10543
  C      -3.50856        2.97872        1.42509
  H       3.11019       -3.74628        2.09524
  H       3.60079       -2.04247        1.98161
  C       3.50856       -2.97872        1.42509
  H       4.50357       -3.30667        1.10543
  H      -4.36238        1.40622       -0.64313
  H      -3.45026        4.92851       -0.43267
  P      -2.36822        2.75938       -0.03275
  H       3.45026       -4.92851       -0.43267
  C      -2.45943        4.53754       -0.68787
  C      -3.66027        2.01452       -1.21911
  P       2.36822       -2.75938       -0.03275
  H      -1.71563        5.13290       -0.12861
  H       4.36238       -1.40622       -0.64313
  H      -4.20874        2.79647       -1.74921
  C       2.45943       -4.53754       -0.68787
  H      -4.72718       -0.21547       -2.26207
  C       3.66027       -2.01452       -1.21911
  H       3.78992       -6.11235       -2.35310
  H       4.20874       -2.79647       -1.74921
  H      -3.78992        6.11235       -2.35310
  H       1.71563       -5.13290       -0.12861
  C      -4.11769        0.32753       -2.98642
  N      -3.05552        1.10173       -2.25369
  N      -2.29837        4.63672       -2.13195
  C      -2.74929        5.94809       -2.64473
  C       2.74929       -5.94809       -2.64473
  H       4.72718        0.21547       -2.26207
  H      -4.74638        1.02418       -3.54365
  H      -2.14161        6.78353       -2.26410
  N       2.29837       -4.63672       -2.13195
  H       2.14161       -6.78353       -2.26410
  N       3.05552       -1.10173       -2.25369
  C       4.11769       -0.32753       -2.98642
  H       4.74638       -1.02418       -3.54365
  C      -0.95734        4.31244       -2.59474
  H      -3.64031       -0.37007       -3.67646
  H      -0.16765        4.90068       -2.09367
  C      -2.13662        1.80595       -3.21562
  H       2.69880       -5.94764       -3.73692
  H      -2.69880        5.94764       -3.73692
  H      -2.69983        2.61895       -3.67861
  C       0.95734       -4.31244       -2.59474
  P      -0.56164        2.47857       -2.38878
  C       2.13662       -1.80595       -3.21562
  H       3.64031        0.37007       -3.67646
  H       0.16765       -4.90068       -2.09367
  P       0.56164       -2.47857       -2.38878
  H       2.69983       -2.61895       -3.67861
  H      -0.90064        4.53807       -3.66544
  H      -1.86018        1.07250       -3.97638
  H       0.90064       -4.53807       -3.66544
  H       1.86018       -1.07250       -3.97638
  C       0.58188        2.21490       -3.83209
  H       0.11864        2.53088       -4.77299
  C      -0.58188       -2.21490       -3.83209
  H       1.50151        2.78783       -3.69652
  H       0.84002        1.15430       -3.90034
  H      -1.50151       -2.78783       -3.69652
  H      -0.11864       -2.53088       -4.77299
  H      -0.84002       -1.15430       -3.90034
  Nb      0.13149       -1.41898        0.01148
  H       1.05112        0.02528        1.01481
  H      -1.05112       -0.02528        1.01481
  H      -2.43419        0.44410       -1.72468
  H       2.43419       -0.44410       -1.72468
  H      -3.82302       -4.05824       -1.10300
  H      -2.37117       -4.23787       -2.09017
  H      -3.15767       -2.64927       -1.97088
  C      -2.90163       -3.55668       -1.41800
  H       3.15767        2.64927       -1.97088
  H       2.37117        4.23787       -2.09017
  H       3.82302        4.05824       -1.10300
  C       2.90163        3.55668       -1.41800
  H      -2.48113       -5.48355        0.41502
  H      -4.02977       -2.18938        0.66883
  H       4.02977        2.18938        0.66883
  P      -1.82038       -3.14578        0.04351
  H       2.48113        5.48355        0.41502
  P       1.82038        3.14578        0.04351
  C      -3.22571       -2.66270        1.23833
  C      -1.58035       -4.91780        0.67681
  H       1.03668        0.16999       -0.98855
  C       3.22571        2.66270        1.23833
  H      -3.61913       -3.53673        1.76247
  C       1.58035        4.91780        0.67681
  H      -0.73944       -5.35668        0.11043
  H       3.61913        3.53673        1.76247
  H       0.73944        5.35668        0.11043
  H      -2.57908       -6.74455        2.31467
  H      -4.67723       -0.66894        2.30012
  H       4.67723        0.66894        2.30012
  H       2.57908        6.74455        2.31467
  C      -1.58848       -6.38787        2.60896
  C      -3.97871       -1.09931        3.01970
  Nb     -0.13149        1.41898        0.01148
  N      -1.40014       -5.00513        2.11958
  N      -2.79560       -1.66319        2.28018
  H      -0.83263       -7.08319        2.21189
  C       3.97871        1.09931        3.01970
  H      -4.47035       -1.90213        3.57171
  N       2.79560        1.66319        2.28018
  C       1.58848        6.38787        2.60896
  N       1.40014        5.00513        2.11958
  H      -2.30452       -0.89948        1.75649
  H      -1.03668       -0.16999       -0.98855
  H       2.30452        0.89948        1.75649
  H       4.47035        1.90213        3.57171
  H       0.83263        7.08319        2.21189
  H      -1.53381       -6.39823        3.70092
  H      -3.63329       -0.33262        3.71523
  C      -0.14231       -4.44055        2.58633
  C      -1.76302       -2.19865        3.23561
  H       3.63329        0.33262        3.71523
  H       1.53381        6.39823        3.70092
  C       0.14231        4.44055        2.58633
  H       0.74166       -4.86537        2.07742
  C       1.76302        2.19865        3.23561
  P      -0.09286       -2.56237        2.40312
  H      -2.16800       -3.10619        3.68839
  P       0.09286        2.56237        2.40312
  H      -0.74166        4.86537        2.07742
  H       2.16800        3.10619        3.68839
  H      -0.04161       -4.66510        3.65405
  H      -1.62393       -1.43611        4.00533
  H       1.62393        1.43611        4.00533
  H       0.04161        4.66510        3.65405
  C       0.98272       -2.10681        3.85067
  C      -0.98272        2.10681        3.85067
  H       0.59289       -2.52408        4.78543
  H       1.99623       -2.48612        3.70517
  H       1.02823       -1.01741        3.93816
  H      -1.02823        1.01741        3.93816
  H      -1.99623        2.48612        3.70517
  H      -0.59289        2.52408        4.78543
     138
(4.H8)c
  H      -6.45552       -2.29302        0.86875
  H      -6.45139       -2.28968       -0.89945
  H      -3.89921       -4.14376        1.23497
  H      -3.89319       -4.13932       -1.26226
  C      -6.03849       -1.79967       -0.01345
  C      -2.81084       -4.06825        1.26295
  C      -2.80466       -4.06377       -1.28454
  H      -2.42515       -4.68103        2.08210
  H      -2.41506       -4.67387       -2.10383
  N      -2.27932       -4.67852       -0.01056
  H      -3.16327       -2.65367        3.76954
  H      -3.14337       -2.64086       -3.78847
  H      -6.37679       -0.75154       -0.01229
  N      -4.57278       -1.94427       -0.01045
  H      -3.51957       -6.40650       -0.01687
  C      -2.45302       -6.17658       -0.01373
  H      -1.98318       -6.58904       -0.90814
  H      -4.57321       -1.78870        2.05445
  H      -4.56422       -1.78131       -2.07472
  C      -2.26299       -2.18451        3.35835
  C      -3.93876       -1.49400        1.21221
  C      -2.24784       -2.16892       -3.37008
  C      -3.93349       -1.48955       -1.22868
  P      -2.23450       -2.26811        1.50102
  P      -2.22790       -2.26218       -1.51319
  H      -1.38557       -2.65805        3.79725
  H      -1.36522       -2.63437       -3.80706
  H      -2.25267       -1.13007        3.65291
  H      -2.24247       -1.11272       -3.65858
  H      -1.98779       -6.59262        0.88148
  H      -3.81194       -0.39671        1.27467
  H      -3.80634       -0.39201       -1.28673
  H       6.37672        0.75314       -0.00488
  C       6.03864        1.80133       -0.00643
  H       6.45310        2.29140       -0.89167
  H       6.45430        2.29441        0.87657
  H       3.80857        0.39323       -1.28210
  H       4.56729        1.78211       -2.06989
  H       3.81029        0.39880        1.27887
  N       4.57295        1.94610       -0.00558
  H       4.57073        1.79089        2.05932
  C       3.93543        1.49082       -1.22452
  C       3.93729        1.49607        1.21639
  H       2.24707        1.11386       -3.65618
  H       2.24894        1.13212        3.65521
  C       2.25216        2.17014       -3.36808
  H       3.14827        2.64190       -3.78542
  P       2.23025        2.26349       -1.51121
  P       2.23257        2.27008        1.50319
  C       2.25897        2.18651        3.36045
  H       3.15828        2.65640        3.77286
  H       3.89471        4.14072       -1.25859
  H       1.37013        2.63555       -3.80642
  H       3.89795        4.14572        1.23847
  C       2.80626        4.06473       -1.28233
  C       2.80949        4.07061        1.26523
  H       1.38065        2.65951        3.79808
  N       2.27951        4.68010       -0.00928
  H       2.41753        4.67414       -2.10252
  H       2.42308        4.68431        2.08334
  C       2.45319        6.17813       -0.01290
  H       1.98501        6.59056       -0.90821
  H       3.51981        6.40796       -0.01435
  H       1.98655        6.59417        0.88149
  H       0.42600       -3.65375        3.74615
  H       1.09469       -2.00760        3.74444
  H       2.17299       -3.43242        3.75372
  C       1.23384       -3.02314        3.36527
  H      -0.42843        3.65881        3.74243
  H      -1.09789        2.01287        3.74281
  C      -1.23632        3.02789        3.36208
  H      -2.17532        3.43834        3.74951
  H       3.46178       -2.16246        2.09182
  H       1.79222       -5.33731        2.08055
  P       1.21628       -3.02131        1.50079
  H      -1.79443        5.34072        2.07490
  C       1.24484       -4.90054        1.23752
  C       3.08924       -2.79985        1.28590
  P      -1.21707        3.02408        1.49774
  H       0.20559       -5.27817        1.31724
  H      -3.46264        2.16595        2.08786
  H       3.59073       -3.76864        1.33157
  C      -1.24586        4.90347        1.23286
  H       5.31305       -1.40325        0.90144
  C      -3.08974        2.80238        1.28139
  H      -2.84216        6.98321        0.89700
  H      -3.59126        3.77119        1.32535
  H       2.84161       -6.98045        0.90541
  H      -0.20683        5.28159        1.31367
  C       5.01689       -1.95142        0.00689
  N       3.51998       -2.13368        0.00571
  N       1.91419       -5.30771        0.01332
  C       2.24756       -6.74577        0.01813
  C      -2.24739        6.74756        0.01049
  H      -5.31422        1.40579        0.89596
  H       5.48256       -2.93812        0.00946
  H       1.35203       -7.38794        0.01815
  N      -1.91403        5.30942        0.00756
  H      -1.35181        7.38968        0.01059
  N      -3.51960        2.13505        0.00166
  C      -5.01645        1.95335        0.00151
  H      -5.48172        2.94021        0.00284
  C       1.25061       -4.90745       -1.21626
  H       5.31537       -1.40685       -0.88916
  H       0.21268       -5.28798       -1.30019
  C       3.09169       -2.80541       -1.27224
  H      -2.84419        6.98645       -0.87381
  H       2.84524       -6.98537       -0.86535
  H       3.59426       -3.77381       -1.31306
  C      -1.24883        4.90784       -1.22077
  P       1.21947       -3.02903       -1.48886
  C      -3.09040        2.80590       -1.27653
  H      -5.31371        1.40841       -0.89464
  H      -0.21089        5.28840       -1.30334
  P      -1.21742        3.02929       -1.49163
  H      -3.59286        3.77435       -1.31827
  H       1.80347       -5.34707       -2.05425
  H       3.46442       -2.17114       -2.08049
  H      -1.80042        5.34649       -2.06006
  H      -3.46319        2.17112       -2.08445
  C       1.24010       -3.04249       -3.35320
  H       2.17766       -3.45890       -3.73809
  C      -1.23644        3.04092       -3.35599
  H       0.42923       -3.67103       -3.73103
  H       1.10701       -2.02854       -3.73881
  H      -0.42552        3.66917       -3.73425
  H      -2.17387        3.45699       -3.74139
  H      -1.10316        2.02663       -3.74065
  Nb      0.25367        1.40385       -0.00019
  Nb     -0.25305       -1.40217       -0.00025
  H       1.39170       -0.26521        0.00112
  H      -1.39138        0.26745       -0.00166
  H       0.00093       -0.00010        1.43499
  H       0.00088        0.00135       -1.43535
  H       3.03517       -1.21504        0.00332
  H      -3.03508        1.21629        0.00016
  H      -1.26663       -4.43284       -0.00782
  H       1.26678        4.43447       -0.00703
     90
S1
  Nb      1.05396        0.04013       -0.30842
  N       0.52085        1.07814       -2.19728
  C       1.52108        1.60096       -3.10549
  H       2.46697        1.06357       -2.93166
  H       1.73458        2.67448       -2.90578
  N      -1.70535        0.96564       -1.56142
  C       1.07118        1.44417       -4.55296
  H       0.90510        0.37341       -4.75794
  H       1.82534        1.81378       -5.26624
  N      -1.13736        2.00468       -3.61478
  C      -0.22239        2.22169       -4.72576
  H      -0.00202        3.30488       -4.81546
  H      -0.73424        1.93200       -5.66327
  C      -2.47209        2.54062       -3.83752
  H      -2.97611        1.95759       -4.63501
  H      -2.37459        3.57294       -4.22422
  C      -3.30970        2.51431       -2.57048
  H      -4.36746        2.69591       -2.82001
  H      -2.98248        3.30811       -1.87840
  C      -3.10095        1.16223       -1.89951
  H      -3.69747        1.09043       -0.97606
  H      -3.47647        0.36138       -2.57331
  C      -0.77190        1.34441       -2.45068
  N       0.90019       -1.94435       -1.29261
  C       2.05450       -2.63437       -1.83126
  H       2.49309       -3.33886       -1.09016
  H       2.83804       -1.89046       -2.04671
  N      -1.33198       -2.01366       -0.67132
  C       1.68373       -3.40592       -3.09198
  H       2.55063       -3.92268       -3.53423
  H       1.29323       -2.69589       -3.83996
  N      -0.40030       -3.84508       -1.85283
  C       0.61659       -4.42111       -2.72029
  H       0.12021       -4.82054       -3.62522
  H       1.08339       -5.29052       -2.21417
  C      -1.55841       -4.70355       -1.65244
  H      -1.20094       -5.72345       -1.41421
  H      -2.12450       -4.78793       -2.60236
  C      -2.46727       -4.17858       -0.55426
  H      -3.43572       -4.70290       -0.59052
  H      -2.01772       -4.36262        0.43579
  C      -2.61905       -2.67520       -0.75140
  H      -3.11729       -2.48595       -1.72726
  H      -3.28049       -2.24722        0.01869
  C      -0.27690       -2.59254       -1.26923
  Nb     -1.05396       -0.04013        0.30842
  N      -0.52085       -1.07814        2.19728
  C      -1.52108       -1.60096        3.10549
  H      -2.46697       -1.06357        2.93166
  H      -1.73458       -2.67448        2.90578
  N       1.70535       -0.96564        1.56142
  C      -1.07118       -1.44417        4.55296
  H      -0.90510       -0.37341        4.75794
  H      -1.82534       -1.81378        5.26624
  N       1.13736       -2.00468        3.61478
  C       0.22239       -2.22169        4.72576
  H       0.00202       -3.30488        4.81546
  H       0.73424       -1.93200        5.66327
  C       2.47209       -2.54062        3.83752
  H       2.97611       -1.95759        4.63501
  H       2.37459       -3.57294        4.22422
  C       3.30970       -2.51431        2.57048
  H       4.36746       -2.69591        2.82001
  H       2.98248       -3.30811        1.87840
  C       3.10095       -1.16223        1.89951
  H       3.69747       -1.09043        0.97606
  H       3.47647       -0.36138        2.57331
  C       0.77190       -1.34441        2.45068
  N      -0.90019        1.94435        1.29261
  C      -2.05450        2.63437        1.83126
  H      -2.49309        3.33886        1.09016
  H      -2.83804        1.89046        2.04671
  N       1.33198        2.01366        0.67132
  C      -1.68373        3.40592        3.09198
  H      -2.55063        3.92268        3.53423
  H      -1.29323        2.69589        3.83996
  N       0.40030        3.84508        1.85283
  C      -0.61659        4.42111        2.72029
  H      -0.12021        4.82054        3.62522
  H      -1.08339        5.29052        2.21417
  C       1.55841        4.70355        1.65244
  H       1.20094        5.72345        1.41421
  H       2.12450        4.78793        2.60236
  C       2.46727        4.17858        0.55426
  H       3.43572        4.70290        0.59052
  H       2.01772        4.36262       -0.43579
  C       2.61905        2.67520        0.75140
  H       3.11729        2.48595        1.72726
  H       3.28049        2.24722       -0.01869
  C       0.27690        2.59254        1.26923
     58
S2
  Nb      0.12825        0.89014       -0.67154
  N       1.93504       -0.54990        1.62254
  N       2.18521        1.19009       -0.00428
  C       2.53145       -1.20934        2.63048
  H       1.94386       -1.99603        3.11052
  C       3.83245       -0.92309        3.06253
  H       4.25395       -1.49757        3.88893
  C       4.57744        0.08551        2.44010
  H       5.59304        0.31147        2.77545
  C       3.98553        0.79011        1.38726
  C       2.64906        0.42254        1.02474
  C       4.32988        1.85668        0.49211
  H       5.26851        2.40538        0.45059
  C       3.22251        2.05315       -0.31155
  H       3.10224        2.78034       -1.11453
  N       0.89413       -0.43289       -2.38688
  N       0.77990       -2.22292       -0.79973
  C       1.22623       -0.09587       -3.64488
  H       1.07483        0.95022       -3.92302
  C       1.73888       -1.01508       -4.56872
  H       1.98553       -0.67241       -5.57488
  C       1.93083       -2.35241       -4.20214
  H       2.33021       -3.07235       -4.92127
  C       1.59604       -2.73502       -2.89953
  C       1.07591       -1.71923       -2.03332
  C       1.60802       -3.92778       -2.10286
  H       1.93710       -4.91965       -2.40577
  C       1.11150       -3.56501       -0.86494
  H       0.96816       -4.20148        0.00820
  Nb     -0.12825       -0.89014        0.67154
  N      -1.93504        0.54990       -1.62254
  N      -2.18521       -1.19009        0.00428
  C      -2.53145        1.20934       -2.63048
  H      -1.94386        1.99603       -3.11052
  C      -3.83245        0.92309       -3.06253
  H      -4.25395        1.49757       -3.88893
  C      -4.57744       -0.08551       -2.44010
  H      -5.59304       -0.31147       -2.77545
  C      -3.98553       -0.79011       -1.38726
  C      -2.64906       -0.42254       -1.02474
  C      -4.32988       -1.85668       -0.49211
  H      -5.26851       -2.40538       -0.45059
  C      -3.22251       -2.05315        0.31155
  H      -3.10224       -2.78034        1.11453
  N      -0.89413        0.43289        2.38688
  N      -0.77990        2.22292        0.79973
  C      -1.22623        0.09587        3.64488
  H      -1.07483       -0.95022        3.92302
  C      -1.73888        1.01508        4.56872
  H      -1.98553        0.67241        5.57488
  C      -1.93083        2.35241        4.20214
  H      -2.33021        3.07235        4.92127
  C      -1.59604        2.73502        2.89953
  C      -1.07591        1.71923        2.03332
  C      -1.60802        3.92778        2.10286
  H      -1.93710        4.91965        2.40577
  C      -1.11150        3.56501        0.86494
  H      -0.96816        4.20148       -0.00820
     62
S3
  Nb      1.41997        0.00000        0.00000
  Cl      0.00000        1.52012        1.52446
  Cl      2.86289        0.00000        2.05895
  P       2.87588        2.25097        0.00000
  C       4.68458        1.94177        0.00000
  C       2.64931        3.37853        1.43057
  H       4.94221        1.36360        0.89589
  H       5.22786        2.89867        0.00000
  H       3.38512        4.19587        1.38357
  H       2.77771        2.80780        2.35933
  H       1.63322        3.79309        1.40841
  Nb     -1.41997        0.00000        0.00000
  Cl      0.00000       -1.52012       -1.52446
  Cl      0.00000        1.52012       -1.52446
  Cl      0.00000       -1.52012        1.52446
  Cl      2.86289        0.00000       -2.05895
  P       2.87588       -2.25097        0.00000
  C       2.64931        3.37853       -1.43057
  H       4.94221        1.36360       -0.89589
  Cl     -2.86289        0.00000       -2.05895
  Cl     -2.86289        0.00000        2.05895
  P      -2.87588       -2.25097        0.00000
  P      -2.87588        2.25097        0.00000
  C       4.68458       -1.94177        0.00000
  C       2.64931       -3.37853        1.43057
  C       2.64931       -3.37853       -1.43057
  H       3.38512        4.19587       -1.38357
  H       2.77771        2.80780       -2.35933
  H       1.63322        3.79309       -1.40841
  C      -4.68458       -1.94177        0.00000
  C      -2.64931       -3.37853       -1.43057
  C      -2.64931       -3.37853        1.43057
  C      -4.68458        1.94177        0.00000
  C      -2.64931        3.37853       -1.43057
  C      -2.64931        3.37853        1.43057
  H       4.94221       -1.36360        0.89589
  H       4.94221       -1.36360       -0.89589
  H       5.22786       -2.89867        0.00000
  H       3.38512       -4.19587        1.38357
  H       2.77771       -2.80780        2.35933
  H       1.63322       -3.79309        1.40841
  H       3.38512       -4.19587       -1.38357
  H       2.77771       -2.80780       -2.35933
  H       1.63322       -3.79309       -1.40841
  H      -4.94221       -1.36360       -0.89589
  H      -4.94221       -1.36360        0.89589
  H      -5.22786       -2.89867        0.00000
  H      -3.38512       -4.19587       -1.38357
  H      -2.77771       -2.80780       -2.35933
  H      -1.63322       -3.79309       -1.40841
  H      -3.38512       -4.19587        1.38357
  H      -2.77771       -2.80780        2.35933
  H      -1.63322       -3.79309        1.40841
  H      -4.94221        1.36360       -0.89589
  H      -4.94221        1.36360        0.89589
  H      -5.22786        2.89867        0.00000
  H      -3.38512        4.19587       -1.38357
  H      -2.77771        2.80780       -2.35933
  H      -1.63322        3.79309       -1.40841
  H      -3.38512        4.19587        1.38357
  H      -2.77771        2.80780        2.35933
  H      -1.63322        3.79309        1.40841
     66
S4
  Nb      0.82700        1.01923       -0.48394
  Cl      0.58015        2.36280       -2.58569
  Cl      2.89028        1.96248        0.56826
  Cl     -1.76849        1.23004       -0.42088
  Cl     -0.12757       -0.82132       -1.96442
  P       0.36194        3.54333        0.10415
  H      -0.79956        4.07862       -0.49607
  H       1.36391        4.40468       -0.38860
  P       2.93612        0.51857       -1.99923
  H       4.00092       -0.10122       -1.30818
  H       3.55110        1.72545       -2.40138
  C       1.28155        4.35969        2.62807
  H       2.27633        4.38295        2.18031
  C       1.11826        4.63370        3.98750
  H       1.98918        4.88842        4.59584
  C      -0.15156        4.57629        4.56781
  H      -0.27650        4.78654        5.63271
  C      -1.26238        4.24131        3.78826
  H      -2.25212        4.17850        4.24037
  C      -1.10595        3.96156        2.43174
  H      -1.97102        3.66581        1.83380
  C       0.16650        4.03189        1.84308
  C       3.91541       -1.43018       -3.75637
  H       4.68717       -1.59744       -3.00088
  C       3.94814       -2.15783       -4.94839
  H       4.74347       -2.88819       -5.11568
  C       2.96478       -1.95209       -5.91937
  H       2.98751       -2.52316       -6.85067
  C       1.94702       -1.02132       -5.69286
  H       1.16925       -0.86580       -6.44378
  C       1.91577       -0.28255       -4.50923
  H       1.12370        0.44731       -4.33849
  C       2.90762       -0.47764       -3.53485
  Nb     -0.82700       -1.01923        0.48394
  Cl     -0.58015       -2.36280        2.58569
  Cl     -2.89028       -1.96248       -0.56826
  Cl      1.76849       -1.23004        0.42088
  Cl      0.12757        0.82132        1.96442
  P      -0.36194       -3.54333       -0.10415
  H       0.79956       -4.07862        0.49607
  H      -1.36391       -4.40468        0.38860
  P      -2.93612       -0.51857        1.99923
  H      -4.00092        0.10122        1.30818
  H      -3.55110       -1.72545        2.40138
  C      -1.28155       -4.35969       -2.62807
  H      -2.27633       -4.38295       -2.18031
  C      -1.11826       -4.63370       -3.98750
  H      -1.98918       -4.88842       -4.59584
  C       0.15156       -4.57629       -4.56781
  H       0.27650       -4.78654       -5.63271
  C       1.26238       -4.24131       -3.78826
  H       2.25212       -4.17850       -4.24037
  C       1.10595       -3.96156       -2.43174
  H       1.97102       -3.66581       -1.83380
  C      -0.16650       -4.03189       -1.84308
  C      -3.91541        1.43018        3.75637
  H      -4.68717        1.59744        3.00088
  C      -3.94814        2.15783        4.94839
  H      -4.74347        2.88819        5.11568
  C      -2.96478        1.95209        5.91937
  H      -2.98751        2.52316        6.85067
  C      -1.94702        1.02132        5.69286
  H      -1.16925        0.86580        6.44378
  C      -1.91577        0.28255        4.50923
  H      -1.12370       -0.44731        4.33849
  C      -2.90762        0.47764        3.53485
     90
S5
  Nb      0.47179       -1.26279       -0.39780
  Cl      1.31075       -1.88745       -2.67087
  Cl      0.63696       -3.33775        1.02471
  Cl      1.71462        0.94524       -0.94068
  Cl     -1.11815        0.17416       -1.84450
  P       2.97755       -2.01620       -0.19759
  P      -1.04778       -3.15973       -1.37817
  C       4.31715       -3.67651        1.64351
  C       4.92777       -3.85185        3.03817
  C       6.01842       -2.81119        3.31266
  C       5.49482       -1.38600        3.10819
  C       4.88970       -1.20433        1.71199
  C       3.78976       -2.24480        1.45846
  C      -2.14144       -4.07548       -3.82591
  C      -2.99028       -3.75235       -5.06211
  C      -4.38836       -3.25363       -4.67965
  C      -4.31745       -2.05923       -3.72215
  C      -3.48103       -2.39001       -2.48368
  C      -2.07630       -2.86266       -2.88673
  H       3.49699       -4.39399        1.48816
  H       5.08382       -3.88761        0.87547
  H       5.33135       -4.87208        3.14540
  H       4.12707       -3.75012        3.79252
  H       6.86775       -2.98627        2.62688
  H       6.41317       -2.93037        4.33500
  H       6.30050       -0.65084        3.26716
  H       4.71956       -1.16841        3.86400
  H       5.68280       -1.31642        0.95069
  H       4.48400       -0.18836        1.59871
  H       2.97942       -2.08485        2.18588
  H      -1.12368       -4.37093       -4.12715
  H      -2.58092       -4.93591       -3.28863
  H      -3.06213       -4.64052       -5.71116
  H      -2.47496       -2.97324       -5.65206
  H      -4.94459       -4.07448       -4.19072
  H      -4.95819       -2.98672       -5.58477
  H      -5.32986       -1.74535       -3.42093
  H      -3.86341       -1.19602       -4.24012
  H      -3.98030       -3.19042       -1.90795
  H      -3.40309       -1.52055       -1.81555
  H      -1.56294       -2.04251       -3.41327
  H      -1.97579       -3.73496       -0.47630
  H       3.91016       -1.23370       -0.92344
  H      -0.26566       -4.28792       -1.70388
  H       3.15393       -3.26549       -0.82898
  Nb     -0.47179        1.26279        0.39780
  Cl     -1.31075        1.88745        2.67087
  Cl     -0.63696        3.33775       -1.02471
  Cl     -1.71462       -0.94524        0.94068
  Cl      1.11815       -0.17416        1.84450
  P      -2.97755        2.01620        0.19759
  C      -3.78976        2.24480       -1.45846
  C      -4.31715        3.67651       -1.64351
  C      -4.92777        3.85185       -3.03817
  C      -6.01842        2.81119       -3.31266
  C      -5.49482        1.38600       -3.10819
  C      -4.88970        1.20433       -1.71199
  H      -2.97942        2.08485       -2.18588
  H      -5.68280        1.31642       -0.95069
  H      -4.48400        0.18836       -1.59871
  H      -6.30050        0.65084       -3.26716
  H      -4.71956        1.16841       -3.86400
  H      -6.86775        2.98627       -2.62688
  H      -6.41317        2.93037       -4.33500
  H      -5.33135        4.87208       -3.14540
  H      -4.12707        3.75012       -3.79252
  H      -3.49699        4.39399       -1.48816
  H      -5.08382        3.88761       -0.87547
  H      -3.91016        1.23370        0.92344
  H      -3.15393        3.26549        0.82898
  P       1.04778        3.15973        1.37817
  C       2.07630        2.86266        2.88673
  C       2.14144        4.07548        3.82591
  C       2.99028        3.75235        5.06211
  C       4.38836        3.25363        4.67965
  C       4.31745        2.05923        3.72215
  C       3.48103        2.39001        2.48368
  H       1.56294        2.04251        3.41327
  H       3.98030        3.19042        1.90795
  H       3.40309        1.52055        1.81555
  H       5.32986        1.74535        3.42093
  H       3.86341        1.19602        4.24012
  H       4.94459        4.07448        4.19072
  H       4.95819        2.98672        5.58477
  H       3.06213        4.64052        5.71116
  H       2.47496        2.97324        5.65206
  H       1.12368        4.37093        4.12715
  H       2.58092        4.93591        3.28863
  H       1.97579        3.73496        0.47630
  H       0.26566        4.28792        1.70388
