224
m60a
Np      4.981730   10.157598    3.002843
O       2.825484   10.708197    2.174412
O       3.903251   10.145738    5.146902
O       4.653674    8.391960    2.787531
O       5.440078   11.908867    3.180203
N       5.135036   10.620516    0.449996
N       6.765861    9.716323    4.878190
N       7.385650    9.693821    2.026195
C       4.368361   11.374984   -0.235958
H       4.675391   11.592913   -1.086350
C       3.099850   11.931852    0.124878
C       2.519801   12.846092   -0.753529
H       3.006987   13.101522   -1.503405
C       1.274429   13.390884   -0.577860
H       0.926477   14.002642   -1.185802
C       0.544969   12.994130    0.548530
H      -0.309466   13.333009    0.690004
C       1.088308   12.102332    1.449838
H       0.582582   11.849500    2.188232
C       2.371623   11.562668    1.296715
C       4.158219   10.137891    6.410028
C       3.106635   10.305353    7.350624
H       2.240263   10.434805    7.038324
C       3.327229   10.282391    8.703787
H       2.610298   10.400645    9.284256
C       4.596230   10.086626    9.223884
H       4.739227   10.065111   10.142560
C       5.628093    9.926664    8.349547
H       6.483226    9.798692    8.692013
C       5.461072    9.945872    6.950145
C       6.657839    9.782376    6.155741
H       7.453571    9.716421    6.632563
C       8.147703    9.529582    4.383854
H       8.763101    9.957078    4.999854
H       8.352391    8.581513    4.371433
C       8.352599   10.063921    3.080334
H       9.235355    9.793318    2.782980
H       8.358598   11.031210    3.152606
C       7.603488   10.531281    0.894064
H       8.471109   10.353848    0.498303
H       7.560494   11.466897    1.146430
C       6.391344   10.155639   -0.163853
H       6.535943   10.598655   -1.014580
H       6.359477    9.198030   -0.315077
C       7.680451    8.203452    1.790801
H       6.980197    7.867696    1.231666
H       7.710529    7.797221    2.644742
H       8.532046    8.150282    1.359008
Np      4.552933    1.008248    7.723568
O       4.725127    0.813157    5.383194
O       2.353891    1.889339    7.292736
O       5.378665    2.620581    7.661881
O       3.833114   -0.678031    7.857945
N       6.931660    0.131527    7.132202
N       3.467710    1.889131    9.973926
N       6.001441    0.503740    9.866688
C       7.565368    0.311689    6.041154
H       8.477424    0.131481    6.065412
C       7.031838    0.770541    4.744669
C       7.977503    0.962583    3.741321
H       8.875361    0.787504    3.908953
C       7.575864    1.420661    2.476003
H       8.208350    1.560464    1.808670
C       6.243136    1.662481    2.225370
H       5.977157    1.953956    1.383223
C       5.319369    1.479124    3.194649
H       4.428855    1.658104    2.994994
C       5.642290    1.022363    4.516227
C       1.335430    2.427352    7.854835
C       0.143320    2.666380    7.106900
H       0.100655    2.393975    6.218702
C      -0.961246    3.301423    7.681900
H      -1.727144    3.438023    7.172366
C      -0.933422    3.724778    8.981266
H      -1.665413    4.169369    9.343794
C       0.184673    3.489431    9.751078
H       0.195581    3.759442   10.640947
C       1.321214    2.838684    9.200252
C       2.394143    2.575400   10.145963
H       2.289671    2.954503   10.988736
C       4.276725    1.710569   11.177828
H       3.990946    0.908021   11.641686
H       4.140456    2.464970   11.772138
C       5.744151    1.598055   10.838932
H       6.051627    2.438244   10.464192
H       6.248331    1.430513   11.650495
C       7.420840    0.568871    9.473849
H       7.969814    0.287825   10.222535
H       7.650088    1.488285    9.266428
C       7.738916   -0.309512    8.264645
H       8.681189   -0.240059    8.045096
H       7.541422   -1.236854    8.469352
C       5.694796   -0.812966   10.477573
H       5.826098   -1.506155    9.826523
H       4.782336   -0.822677   10.775741
H       6.277542   -0.962120   11.225758
N       2.938572   14.894617    4.078338
C       3.670373   14.609477    2.772898
H       3.023128   14.308153    2.116253
H       4.295015   13.882544    2.922221
C       4.435325   15.793849    2.191155
H       3.825533   16.532813    2.039534
H       5.112616   16.085525    2.821308
C       5.094805   15.398359    0.879138
H       5.814419   14.777490    1.072990
H       4.441957   14.927404    0.337936
C       5.633156   16.492945    0.097155
H       5.878897   16.173285   -0.774071
H       6.408022   16.849921    0.537340
H       4.969250   17.180881    0.010083
C       1.979130   16.074879    3.891292
H       1.477090   16.192855    4.712834
H       2.506252   16.877716    3.755370
C       1.033580   15.956148    2.790016
H       0.400051   15.241328    2.959067
H       1.498333   15.770973    1.958996
C       0.307899   17.322437    2.716658
H       0.936823   18.024220    2.486754
H      -0.091912   17.536204    3.574190
C      -0.791587   17.207991    1.625194
H      -0.387395   16.970168    0.787536
H      -1.242136   18.050907    1.535199
H      -1.424666   16.532175    1.878332
C       1.033580   15.956148    2.790016
H       0.860354   15.004272    2.720646
H       1.549531   16.186246    2.001499
C      -0.346898   16.619057    2.556625
H      -0.588501   16.551224    1.619641
H      -0.302428   17.559317    2.790809
C      -1.418463   15.913733    3.425472
H      -1.456019   14.982803    3.194065
H      -2.274983   16.317533    3.267568
H      -1.188326   16.003852    4.353104
C       2.146320   13.627735    4.385858
H       1.483026   13.509202    3.688067
H       2.753401   12.872677    4.338637
C       1.437901   13.580592    5.723071
H       1.025933   14.440580    5.900807
H       2.084273   13.406325    6.425017
C       0.353312   12.477344    5.736014
H      -0.352164   12.715852    5.114482
H       0.744420   11.641604    5.436887
C      -0.241902   12.283726    7.115418
H      -0.881275   11.568063    7.090471
H      -0.677992   13.092925    7.392229
H       0.456332   12.067490    7.737764
C       3.838529   15.239700    5.221616
H       3.294993   15.452749    5.996272
H       4.348878   16.031959    4.991859
C       4.803918   14.119903    5.588841
H       5.464455   14.003572    4.888085
H       4.322455   13.285148    5.699607
C       5.487262   14.513756    6.899104
H       6.015390   15.311344    6.738382
H       4.799486   14.746517    7.542284
C       6.331562   13.531533    7.486003
H       5.833808   12.722144    7.622780
H       6.657966   13.852945    8.329652
H       7.072925   13.356436    6.901755
N       3.265787    5.795568    6.077896
C       4.417502    6.430308    5.290402
H       4.069727    6.775768    4.453370
H       4.764823    7.181212    5.796763
C       5.560509    5.474718    4.987391
H       5.643335    4.877906    5.747559
H       5.286104    4.931039    4.232401
C       6.818188    5.950806    4.707573
H       7.092907    6.492934    5.463545
H       6.734511    6.549469    3.948951
C       7.917686    5.034935    4.413205
H       8.540432    5.462499    3.820795
H       7.571312    4.242777    3.995942
H       8.363794    4.797700    5.229487
C       3.753154    5.214228    7.378869
H       2.997525    4.816525    7.839053
H       4.380883    4.501896    7.180257
C       4.415925    6.183603    8.307608
H       3.758306    6.811763    8.645021
H       5.092192    6.684833    7.825609
C       5.065340    5.441695    9.479694
H       4.378778    4.970300    9.976995
H       5.687130    4.782673    9.133304
C       5.804221    6.377401   10.417430
H       6.144270    5.879183   11.164238
H       5.202294    7.055587   10.732591
H       6.533718    6.789617    9.948917
C       2.275589    6.915985    6.320659
H       2.011119    7.288335    5.464923
H       2.717589    7.618508    6.822657
C       1.017477    6.487482    7.079491
H       0.525790    5.841575    6.548517
H       1.273636    6.058894    7.911116
C       0.133627    7.663219    7.377074
H      -0.102194    8.097271    6.542255
H       0.631051    8.301959    7.911366
C      -1.127939    7.297280    8.107410
H      -1.601933    8.096757    8.347772
H      -0.906722    6.805417    8.901605
H      -1.680985    6.755921    7.539382
C       2.640776    4.674250    5.280841
H       1.884183    4.331430    5.781774
H       3.288903    3.956230    5.208089
C       2.165608    5.025246    3.887785
H       2.926569    5.280477    3.343075
H       1.562969    5.783854    3.935027
C       1.446593    3.846992    3.233436
H       0.682902    3.597300    3.776872
H       2.047794    3.086681    3.196549
C       0.965340    4.184623    1.804432
H       0.506260    3.427210    1.434056
H       1.722076    4.400437    1.254546
H       0.368678    4.935980    1.836873
O       1.441964    9.237678    4.156601
H       1.671358    9.635973    3.270804
H       2.182154    9.421960    4.808925
O       7.760119   13.685533    3.046912
H       7.488470   14.039233    2.319498
H       7.106108   13.204029    3.339276
O       1.306352   -1.206907    6.735000
H       1.580311   -0.636519    5.974832
H       2.082072   -1.351307    7.123622
O       1.775060    0.845128    5.026095
H       2.624718    0.690736    4.816649
H       1.720601    1.218393    5.719731

219
m36a
Np      1.220829   -2.701922   17.755427
O       3.379219   -3.275401   18.592434
O       2.304122   -2.635944   15.618003
O       1.548619   -0.945959   17.999109
O       0.756711   -4.449637   17.539871
N       1.056121   -3.240955   20.295155
N      -0.568527   -2.249469   15.871315
N      -1.201273   -2.278803   18.728182
C       1.802432   -4.009735   20.968849
H       1.481562   -4.251427   21.829747
C       3.088574   -4.568589   20.589607
C       3.667524   -5.489741   21.454905
H       3.179077   -5.764346   22.222046
C       4.921358   -6.020301   21.244289
H       5.278500   -6.667329   21.841226
C       5.651334   -5.595249   20.149402
H       6.527685   -5.930545   20.000723
C       5.107448   -4.692794   19.284374
H       5.621125   -4.420061   18.533216
C       3.832852   -4.150666   19.449388
C       2.074837   -2.663956   14.345420
C       3.113113   -2.836421   13.408906
H       3.998386   -2.968178   13.727394
C       2.894205   -2.821345   12.051948
H       3.629912   -2.930552   11.460926
C       1.628659   -2.650976   11.530481
H       1.484751   -2.634305   10.591601
C       0.591343   -2.507339   12.401529
H      -0.282220   -2.399062   12.044226
C       0.740343   -2.510285   13.797738
C      -0.443265   -2.351846   14.606163
H      -1.258477   -2.318473   14.119526
C      -1.939562   -2.097783   16.349525
H      -2.557909   -2.519387   15.701465
H      -2.161555   -1.134219   16.398427
C      -2.139078   -2.704578   17.668955
H      -2.071914   -3.687513   17.571794
H      -3.059931   -2.499215   17.968887
C      -1.380213   -3.102540   19.921786
H      -1.382653   -4.060286   19.671151
H      -2.248440   -2.891370   20.348063
C      -0.205107   -2.818100   20.933605
H      -0.169569   -1.853061   21.151652
H      -0.348278   -3.323669   21.772646
C      -1.476663   -0.812906   19.011218
H      -0.905859   -0.509583   19.747805
H      -2.417935   -0.699317   19.259238
H      -1.283983   -0.283564   18.209310
Np      1.703398    6.446782   13.094693
O       3.893059    5.591822   13.529460
O       1.522787    6.613132   15.432439
O       0.879010    4.834582   13.134110
O       2.420720    8.132683   12.978000
N       2.797283    5.555504   10.859630
N      -0.659565    7.333681   13.684200
N       0.265306    6.946377   10.953014
C       3.866637    4.876771   10.680211
H       3.971352    4.486275    9.820537
C       4.936990    4.629015   11.622287
C       6.065610    3.966021   11.117696
H       6.044524    3.641696   10.225020
C       7.216148    3.765656   11.877157
H       7.976218    3.330619   11.508977
C       7.217882    4.222181   13.191274
H       8.001396    4.123161   13.719278
C       6.108814    4.811844   13.736029
H       6.129159    5.075187   14.648569
C       4.921684    5.043672   12.975281
C       0.606407    6.410813   16.284059
C       0.919463    5.943514   17.599234
H       1.824369    5.732768   17.797314
C       0.007186    5.786930   18.566115
H       0.281907    5.486992   19.424626
C      -1.342538    6.057975   18.331400
H      -1.983623    5.938954   19.022302
C      -1.738268    6.504905   17.072454
H      -2.654900    6.688714   16.903621
C      -0.799767    6.683816   16.060864
C      -1.310982    7.169569   14.775537
H      -2.234960    7.388739   14.748449
C      -1.466405    7.780463   12.551827
H      -1.254729    8.723172   12.335980
H      -2.428640    7.720264   12.776724
C      -1.149410    6.877345   11.341057
H      -1.379775    5.940894   11.564854
H      -1.710792    7.153424   10.573750
C       0.519319    5.859330    9.987275
H       0.009225    6.034471    9.157076
H       0.198293    5.003417   10.367348
C       1.982405    5.736879    9.654402
H       2.116786    4.964890    9.049349
H       2.279090    6.552778    9.178600
C       0.572659    8.271166   10.339617
H       0.409568    8.980658   10.995689
H      -0.001995    8.410516    9.558113
H       1.512306    8.292570   10.062123
N       2.949941    1.655715   14.712084
C       2.478185    2.227136   13.403426
H       3.258652    2.614565   12.933457
H       1.850143    2.967918   13.595507
C       1.796180    1.256554   12.470482
H       1.114182    0.740543   12.969179
H       2.462275    0.618822   12.110336
C       1.126731    2.009203   11.313015
H       0.488247    2.669414   11.682544
H       1.817789    2.505983   10.807282
C       0.392970    1.087509   10.370503
H      -0.061617    1.617700    9.683005
H      -0.268622    0.566700   10.871960
H       1.032518    0.479442    9.944329
C       3.970965    0.550077   14.468797
H       4.228056    0.163848   15.343331
H       3.535793   -0.167415   13.943511
C       5.225869    0.974067   13.747860
H       4.981407    1.441410   12.910064
H       5.732377    1.607889   14.315157
C       6.091749   -0.205251   13.424805
H       5.575445   -0.835598   12.862490
H       6.321490   -0.672524   14.266815
C       7.363535    0.154038   12.707460
H       7.153791    0.715258   11.931933
H       7.811443   -0.664194   12.406988
H       7.954237    0.645192   13.315937
C       3.583423    2.806037   15.496764
H       2.927443    3.545620   15.549651
H       4.364320    3.138204   14.986880
C       4.045039    2.466831   16.920932
H       3.258814    2.246932   17.480943
H       4.637718    1.674177   16.897580
C       4.783821    3.631364   17.523847
H       4.194430    4.426730   17.534329
H       5.575639    3.843343   16.968692
C       5.234661    3.307769   18.958455
H       5.884853    2.574792   18.939048
H       4.457602    3.041089   19.492749
H       5.648744    4.101277   19.357561
C       1.792369    1.059230   15.491388
H       1.436016    0.289998   14.980113
H       2.141639    0.709053   16.348985
C       0.650443    2.000107   15.791984
H       0.789330    2.939780   15.777143
C      -0.513124    1.521836   16.068710
H      -0.627827    0.578777   16.065555
C      -1.702946    2.390791   16.397825
H      -2.208693    2.575889   15.579063
H      -1.393178    3.234597   16.788256
H      -2.279333    1.925958   17.039763
N       1.932884   10.582907   16.613776
C       2.742523   11.830534   16.336697
H       3.401633   11.942168   17.066912
H       2.132815   12.609943   16.366317
C       3.489906   11.857498   15.008861
H       2.857476   12.039450   14.269264
H       3.917224   10.979788   14.844220
C       4.553302   12.951689   15.065484
H       5.277042   12.672844   15.680750
H       4.150057   13.781334   15.424925
C       5.147338   13.235956   13.680277
H       4.423631   13.424161   13.046850
H       5.653419   12.454174   13.375176
H       5.744495   14.011151   13.733745
C       0.983989   10.276966   15.466252
H       1.517160    9.996837   14.680513
H       0.409239    9.513692   15.725459
C       0.099954   11.432013   15.062973
H       0.628574   12.266563   14.998233
H      -0.621325   11.564712   15.727991
C      -0.514499   11.049535   13.642707
H       0.210740   10.981916   12.972230
H      -0.965809   10.170246   13.699829
C      -1.462554   12.057861   13.234468
H      -2.007293   11.714127   12.495888
H      -0.980952   12.858904   12.939912
H      -2.043316   12.285320   13.990379
C       0.099954   11.432013   15.062973
H       0.631563   12.041463   14.491940
H      -0.143750   11.933126   15.881258
C      -1.206984   11.080396   14.306211
H      -1.532855   11.879802   13.821566
H      -1.021997   10.371952   13.639884
C      -2.287857   10.597026   15.278696
H      -2.888657    9.975673   14.816759
H      -2.800851   11.365543   15.605217
H      -1.865386   10.140666   16.036101
C       1.171304   10.850594   17.916415
H       1.818969   11.168034   18.594551
H       0.528684   11.586035   17.754286
C       0.406552    9.668900   18.502891
H      -0.233873    9.320530   17.833119
H       1.039252    8.942827   18.732209
C      -0.338768   10.103699   19.740935
H       0.241651   10.703583   20.273277
H      -1.140081   10.618743   19.471245
C      -0.762950    8.954446   20.593302
H      -1.414802    8.409037   20.105440
H      -1.171416    9.292328   21.417543
H       0.018831    8.407327   20.816600
C       2.841370    9.384382   16.758283
H       2.280869    8.576133   16.870825
H       3.355778    9.276202   15.919367
C       3.803524    9.458477   17.899768
H       3.312688    9.635309   18.741155
H       4.442686   10.199910   17.752044
C       4.553251    8.150191   18.009508
H       3.903458    7.415185   18.142308
H       5.033481    7.980421   17.160586
C       5.515543    8.143203   19.113133
H       6.086743    8.937295   19.053520
H       6.070049    7.337050   19.057941
H       5.033886    8.150576   19.966558
O       4.797512   -1.795296   16.629178
H       4.156866   -2.130574   15.961399
H       4.537854   -2.123273   17.508113
O       4.979027    8.557078   14.078034
H       4.953534    7.857970   14.757312
H       4.127690    8.506210   13.626808
O       4.464060    6.592772   15.781606
H       4.454421    6.164540   14.881499
H       3.502541    6.753698   15.956770

224
m61a
Np      3.211429    7.225036    2.717236
O       5.400379    6.339819    3.149680
O       3.042307    7.423695    5.055433
O       2.387036    5.605735    2.787781
O       3.931442    8.913813    2.577129
N       4.290097    6.335103    0.480833
N       0.853064    8.107949    3.311338
N       1.757786    7.733537    0.581456
C       5.383344    5.651510    0.294720
H       5.490433    5.275305   -0.549016
C       6.439927    5.408257    1.229087
C       7.573836    4.758175    0.685297
H       7.560310    4.479600   -0.201894
C       8.697192    4.531884    1.450337
H       9.436537    4.105918    1.080452
C       8.719430    4.937511    2.758413
H       9.480713    4.781590    3.269345
C       7.628283    5.578158    3.341374
H       7.675719    5.865341    4.224656
C       6.438034    5.794164    2.584675
C       2.112307    7.204476    5.927303
C       2.446904    6.749600    7.238786
H       3.339540    6.580114    7.437231
C       1.525155    6.555830    8.199574
H       1.789615    6.243953    9.034844
C       0.177573    6.817786    7.955855
H      -0.456897    6.696790    8.624953
C      -0.197755    7.260273    6.702542
H      -1.096350    7.433269    6.536705
C       0.723721    7.455133    5.682037
C       0.193209    7.934696    4.411856
H      -0.714142    8.137432    4.389574
C       0.042699    8.553669    2.175139
H       0.258529    9.474086    1.957945
H      -0.898731    8.508095    2.404373
C       0.326202    7.659647    0.975565
H       0.099038    6.742668    1.195686
H      -0.228581    7.935541    0.229234
C       2.019350    6.642857   -0.392626
H       1.523056    6.816414   -1.207767
H       1.703952    5.802783   -0.024246
C       3.479068    6.522921   -0.718448
H       3.612538    5.770376   -1.315727
H       3.770737    7.325129   -1.179215
C       2.062326    9.049863   -0.029577
H       2.963777    9.048548   -0.359684
H       1.964433    9.739592    0.630952
H       1.455924    9.213633   -0.755550
Np      2.783621   -1.923974    7.443209
O       3.844842   -1.907504    5.296225
O       4.940942   -2.470951    8.266356
O       3.119279   -0.151977    7.648217
O       2.325675   -3.686875    7.277560
N       1.007024   -1.477519    5.573137
N       2.633837   -2.368238    9.989382
N       0.377959   -1.453547    8.432800
C       1.114058   -1.542702    4.303416
H       0.314309   -1.472847    3.833933
C       2.291181   -1.708537    3.490197
C       2.131693   -1.666458    2.098449
H       1.280768   -1.513119    1.755947
C       3.156671   -1.838233    1.225116
H       3.011382   -1.821552    0.306676
C       4.424827   -2.039028    1.742967
H       5.144061   -2.150383    1.163998
C       4.632929   -2.075598    3.081205
H       5.498117   -2.215973    3.392062
C       3.598713   -1.910681    4.023348
C       5.403912   -3.317159    9.153548
C       6.678175   -3.862900    8.996677
H       7.180953   -3.621918    8.252331
C       7.217034   -4.744878    9.904248
H       8.073474   -5.081297    9.769178
C       6.488427   -5.137036   11.023662
H       6.834203   -5.751713   11.629887
C       5.274736   -4.601625   11.199930
H       4.802331   -4.847000   11.962523
C       4.663538   -3.699056   10.320660
C       3.390035   -3.125598   10.687576
H       3.081174   -3.333797   11.539736
C       1.380717   -1.879135   10.636638
H       1.427312   -0.924066   10.799737
H       1.228025   -2.334241   11.479537
C       0.183828   -2.231756    9.554283
H       0.215645   -3.171759    9.317023
H      -0.684080   -2.043313    9.944296
C      -0.586635   -1.814500    7.384704
H      -0.606683   -2.782294    7.322249
H      -1.465217   -1.529418    7.680908
C      -0.382111   -1.297436    6.068079
H      -0.596390   -0.351390    6.065320
H      -0.992740   -1.740357    5.458280
C       0.100904    0.002382    8.648866
H      -0.073009    0.423631    7.810711
H       0.864835    0.411771    9.066846
H      -0.662754    0.097638    9.226162
N       3.459691   11.361633    6.343903
C       4.252158   12.618692    6.040801
H       3.649502   13.377235    6.089002
H       4.918599   12.733236    6.736257
C       4.955157   12.654564    4.698132
H       4.309732   12.826743    3.994775
H       5.372184   11.796379    4.523536
C       6.027975   13.763969    4.704256
H       5.626985   14.598972    4.992120
H       6.727096   13.533206    5.335835
C       6.630732   13.943246    3.330902
H       7.297118   14.633611    3.361544
H       5.942341   14.190336    2.709084
H       7.035826   13.119740    3.049225
C       2.545127   11.001237    5.224782
H       2.013381   10.233394    5.486623
H       3.075344   10.745308    4.453911
C       1.612411   12.138035    4.829167
H       0.968236   12.296612    5.536851
H       2.123441   12.951568    4.695331
C       0.896432   11.771900    3.561348
H       1.566528   11.564955    2.891246
H       0.396769   10.957230    3.727332
C       0.011503   12.714213    3.008173
H       0.501730   13.495074    2.740709
H      -0.646517   12.958264    3.663183
H      -0.424888   12.332666    2.242946
C       2.711286   11.623377    7.648008
H       3.352549   11.934755    8.305820
H       2.082215   12.345568    7.494336
C       1.955784   10.464060    8.243782
H       2.568645    9.730207    8.407362
H       1.284344   10.159245    7.613583
C       1.282645   10.858378    9.546048
H       0.557431   11.470599    9.345680
H       1.925431   11.335793   10.093600
C       0.726656    9.698129   10.353874
H       0.316022   10.033232   11.154300
H       1.440031    9.099403   10.586703
H       0.072570    9.228605    9.831069
C       4.369702   10.171182    6.515489
H       3.818462    9.388710    6.672861
H       4.842695   10.028654    5.680720
C       5.366436   10.258786    7.600979
H       4.932406   10.498653    8.434640
H       6.028222   10.936812    7.393065
C       6.035447    8.893374    7.730446
H       6.443000    8.642587    6.886690
H       5.375418    8.221517    7.962523
C       7.107281    8.976586    8.826617
H       6.703619    9.268106    9.647402
H       7.785924    9.602634    8.563731
H       7.502467    8.111040    8.954120
C       5.366436   10.258786    7.600979
H       4.851570   10.078615    8.403077
H       5.582755   11.203511    7.640881
C       6.719435    9.558974    7.866060
H       6.923035    9.581144    8.814201
H       6.672559    8.631537    7.585762
C       7.810674   10.285478    7.081958
H       7.491920   10.483388    6.198299
H       8.588927    9.726447    7.023662
H       8.036966   11.103196    7.531124
N       4.494208    2.430862    4.379771
C       4.008145    3.023708    3.067493
H       3.386960    3.741331    3.267694
H       4.767749    3.416045    2.609277
C       3.332158    2.058576    2.126667
H       2.650194    1.562404    2.605869
H       3.984074    1.424867    1.788575
C       2.698239    2.800617    0.967205
H       3.388943    3.271221    0.474897
H       2.077250    3.460565    1.313239
C       1.954200    1.862218    0.014987
H       1.563627    2.373290   -0.697651
H       1.262081    1.401904    0.495255
H       2.570058    1.222677   -0.350132
C       3.340774    1.796197    5.143201
H       3.676316    1.426786    5.974960
H       2.977546    1.065441    4.618829
C       2.222612    2.792647    5.453848
H       2.502504    3.327850    6.212868
H       2.138209    3.392001    4.695853
C       0.907833    2.256852    5.746917
H       0.991693    1.666380    6.501192
H       0.645829    1.736058    4.981251
C      -0.173858    3.217372    6.035848
H      -0.620922    3.451075    5.219076
H       0.197919    4.007569    6.434556
H      -0.802512    2.818555    6.641947
C       5.131193    3.579510    5.161009
H       5.903717    3.898913    4.668973
H       4.494737    4.309577    5.213996
C       5.569664    3.211899    6.571507
H       6.147861    2.433820    6.537185
H       4.790583    2.983848    7.102463
C       6.316669    4.373055    7.235317
H       7.080179    4.613308    6.687388
H       5.729147    5.143584    7.280173
C       6.788330    4.040195    8.608065
H       7.205246    4.811523    8.998997
H       7.423334    3.321639    8.562770
H       6.040463    3.772820    9.147340
C       5.514926    1.318807    4.124828
H       5.787764    0.951420    4.980101
H       5.077263    0.608939    3.629384
C       6.755156    1.735937    3.366665
H       6.493354    2.172018    2.540718
H       7.253890    2.376632    3.897413
C       7.628418    0.575102    3.052214
H       7.128631   -0.054150    2.508925
H       7.863858    0.127546    3.879959
C       8.895179    0.947723    2.323523
H       9.330554    0.151322    2.010827
H       9.480823    1.419253    2.920426
H       8.680510    1.509811    1.575457
O       5.963852    7.364827    5.411981
H       5.930509    7.178253    4.329439
H       4.928444    7.363424    5.655470
O       0.044956   -5.434191    7.435037
H       0.889932   -4.893360    7.290916
H      -0.109862   -6.045820    6.683061
O       6.460569    9.416334    3.709858
H       6.664212    8.605923    4.237428
H       5.591818    9.298171    3.217529
O       6.325262   -1.011057    6.300301
H       5.664079   -1.309252    5.650224
H       6.028274   -1.279757    7.192446
