          10
          10
 N      5.824531      6.958985      7.151369
 C      7.111530      6.474752      7.830052
 C      8.070694      7.748101      7.628371
 O      9.131200      7.786101      8.273895
 O      7.590960      8.538699      6.722907
 H      6.343087      7.620611      6.428818
 H      5.390444      7.648426      7.728015
 H      5.155482      6.232736      6.826616
 H      7.505151      5.622019      7.273384
 H      6.896950      6.148941      8.881960
          10
          20
 N      5.821500      6.966336      7.152559
 C      7.119027      6.473769      7.827532
 C      8.062351      7.751573      7.631406
 O      9.132837      7.784227      8.275930
 O      7.591198      8.536653      6.719746
 H      6.344907      7.597127      6.422583
 H      5.390016      7.642139      7.713031
 H      5.169614      6.216894      6.837564
 H      7.490737      5.628351      7.274643
 H      6.916166      6.122187      8.885933
          10
          30
 N      5.818779      6.972919      7.153104
 C      7.126856      6.473019      7.825778
 C      8.053850      7.755049      7.635014
 O      9.134248      7.782157      8.278060
 O      7.591473      8.534356      6.716201
 H      6.347704      7.575525      6.413594
 H      5.378515      7.645257      7.708200
 H      5.187360      6.203287      6.850661
 H      7.476286      5.631914      7.271524
 H      6.939856      6.097683      8.883087
          10
          40
 N      5.816649      6.978095      7.152914
 C      7.134356      6.472789      7.825064
 C      8.046093      7.758192      7.639014
 O      9.135169      7.780007      8.280115
 O      7.591742      8.531931      6.712480
 H      6.350480      7.558486      6.402508
 H      5.355742      7.659084      7.714921
 H      5.206689      6.193628      6.864476
 H      7.464311      5.630401      7.262060
 H      6.965848      6.078682      8.872615
          10
          50
 N      5.815071      6.981849      7.152417
 C      7.141115      6.473177      7.825431
 C      8.039786      7.760808      7.643251
 O      9.135399      7.777915      8.281942
 O      7.591985      8.529502      6.708765
 H      6.352374      7.547579      6.390292
 H      5.326351      7.678610      7.728859
 H      5.225117      6.187534      6.878002
 H      7.456354      5.623759      7.245820
 H      6.992041      6.066786      8.855826
          10
          60
 N      5.813738      6.984920      7.152135
 C      7.147564      6.474147      7.826537
 C      8.034790      7.763010      7.647946
 O      9.134829      7.775813      8.283598
 O      7.592186      8.526942      6.704865
 H      6.352780      7.542565      6.377390
 H      5.294246      7.697561      7.743753
 H      5.241753      6.182931      6.891318
 H      7.451500      5.614135      7.222322
 H      7.019166      6.060535      8.834647
          10
          70
 N      5.812406      6.987975      7.152495
 C      7.154081      6.475662      7.827823
 C      8.031080      7.764841      7.653289
 O      9.133317      7.773597      8.285182
 O      7.592407      8.524091      6.700599
 H      6.350936      7.543570      6.364991
 H      5.263176      7.710181      7.754613
 H      5.255163      6.177888      6.903968
 H      7.448658      5.605047      7.192682
 H      7.047313      6.058682      8.812691
          10
          80
 N      5.810854      6.991530      7.153853
 C      7.161113      6.477751      7.828520
 C      8.028678      7.766344      7.659426
 O      9.130679      7.771193      8.286776
 O      7.592681      8.520751      6.695749
 H      6.346003      7.550950      6.354600
 H      5.235905      7.712190      7.757674
 H      5.264340      6.170800      6.915947
 H      7.447157      5.600532      7.158234
 H      7.076292      6.059440      8.794579
          10
          90
 N      5.808982      6.995598      7.156390
 C      7.168529      6.480353      7.827749
 C      8.027772      7.767412      7.665981
 O      9.126924      7.768700      8.288384
 O      7.593016      8.516987      6.690476
 H      6.337938      7.564527      6.348619
 H      5.216270      7.700603      7.750312
 H      5.268326      6.161568      6.926534
 H      7.446414      5.604990      7.122819
 H      7.104340      6.060364      8.786402
          10
         100
 N      5.806869      6.999609      7.159845
 C      7.175571      6.483201      7.825071
 C      8.028413      7.767907      7.672045
 O      9.122466      7.766381      8.289945
 O      7.593428      8.513145      6.685354
 H      6.327910      7.582616      6.349336
 H      5.206902      7.676926      7.733912
 H      5.267369      6.152493      6.934483
 H      7.445979      5.620670      7.092698
 H      7.128336      6.059998      8.791489
          10
         110
 N      5.804607      7.003028      7.163830
 C      7.181841      6.486139      7.820749
 C      8.030322      7.767873      7.677091
 O      9.117629      7.764409      8.291498
 O      7.593939      8.509363      6.680615
 H      6.317065      7.603556      6.357337
 H      5.205960      7.646118      7.712849
 H      5.263265      6.145954      6.939689
 H      7.446021      5.647176      7.070905
 H      7.147051      6.058576      8.807297
          10
         120
 N      5.802423      7.005248      7.167904
 C      7.187171      6.489033      7.815254
 C      8.033214      7.767326      7.680783
 O      9.112661      7.762808      8.293124
 O      7.594561      8.505704      6.676379
 H      6.306603      7.626284      6.372279
 H      5.208848      7.614783      7.693352
 H      5.257835      6.143830      6.942036
 H      7.447112      5.682827      7.057843
 H      7.160418      6.057379      8.828044
          10
         130
 N      5.800593      7.005795      7.171729
 C      7.191572      6.491976      7.809180
 C      8.036850      7.766325      7.683026
 O      9.107636      7.761550      8.294972
 O      7.595325      8.502094      6.672573
 H      6.297391      7.650811      6.393458
 H      5.209023      7.589641      7.682240
 H      5.252376      6.146907      6.941365
 H      7.449946      5.725075      7.051632
 H      7.169287      6.058331      8.847572
          10
         140
 N      5.799425      7.004309      7.174981
 C      7.194851      6.495136      7.803326
 C      8.040893      7.764956      7.683630
 O      9.102774      7.760656      8.297144
 O      7.596246      8.498553      6.669223
 H      6.290655      7.676730      6.419398
 H      5.200932      7.576619      7.685540
 H      5.247739      6.154993      6.937237
 H      7.455824      5.769010      7.049201
 H      7.174000      6.062753      8.860332
          10
         150
 N      5.798931      7.000885      7.177701
 C      7.196794      6.498798      7.798379
 C      8.045009      7.763278      7.682450
 O      9.098284      7.760127      8.299728
 O      7.597336      8.495100      6.666322
 H      6.287625      7.703811      6.448300
 H      5.184074      7.576124      7.704643
 H      5.243998      6.166837      6.928952
 H      7.466353      5.808726      7.046130
 H      7.174836      6.071045      8.862734
          10
         160
 N      5.798804      6.996219      7.180282
 C      7.197233      6.503149      7.794909
 C      8.048853      7.761412      7.679501
 O      9.094448      7.759996      8.302743
 O      7.598566      8.491856      6.663942
 H      6.289261      7.731386      6.477842
 H      5.163868      7.582775      7.735049
 H      5.240629      6.180090      6.915970
 H      7.482448      5.838448      7.038472
 H      7.172338      6.082670      8.853653
          10
         170
 N      5.798633      6.991291      7.183133
 C      7.196079      6.508097      7.793100
 C      8.052064      7.759496      7.674986
 O      9.091500      7.760251      8.306066
 O      7.599867      8.488978      6.662122
 H      6.296019      7.758207      6.505363
 H      5.147880      7.589104      7.769058
 H      5.236922      6.192037      6.898423
 H      7.503560      5.854784      7.025003
 H      7.167071      6.095957      8.834905
          10
         180
 N      5.798173      6.986763      7.186595
 C      7.193529      6.513363      7.792428
 C      8.054551      7.757608      7.669219
 O      9.089485      7.760869      8.309608
 O      7.601179      8.486535      6.660802
 H      6.307826      7.783703      6.529695
 H      5.141158      7.589528      7.800703
 H      5.232357      6.201310      6.876834
 H      7.527941      5.859218      7.008024
 H      7.159638      6.108804      8.810688
          10
         190
 N      5.797312      6.982867      7.190892
 C      7.189819      6.518758      7.792005
 C      8.056400      7.755738      7.662403
 O      9.088274      7.761833      8.313366
 O      7.602490      8.484494      6.659862
 H      6.324630      7.808261      6.550936
 H      5.145640      7.580982      7.827174
 H      5.226988      6.208091      6.851554
 H      7.553453      5.855849      6.991633
 H      7.150510      6.119197      8.786081
          10
         200
 N      5.796053      6.979715      7.195965
 C      7.185211      6.524021      7.790955
 C      8.057755      7.753863      7.654903
 O      9.087724      7.763115      8.317228
 O      7.603758      8.482883      6.659192
 H      6.346042      7.831782      6.569026
 H      5.160882      7.562864      7.847104
 H      5.221655      6.213422      6.823826
 H      7.577297      5.848891      6.980461
 H      7.139992      6.124958      8.766961
          10
         210
 N      5.794523      6.977174      7.201546
 C      7.180043      6.528828      7.788668
 C      8.058812      7.751961      7.647233
 O      9.087673      7.764688      8.321016
 O      7.604892      8.481728      6.658686
 H      6.371448      7.854104      6.583704
 H      5.184183      7.536820      7.861125
 H      5.217790      6.219092      6.795768
 H      7.596855      5.841757      6.977790
 H      7.128600      6.124690      8.757596
          10
         220
 N      5.792963      6.975026      7.207169
 C      7.174574      6.532896      7.784999
 C      8.059802      7.750013      7.639906
 O      9.087920      7.766490      8.324546
 O      7.605828      8.481067      6.658235
 H      6.400060      7.875476      6.594815
 H      5.210958      7.506364      7.871790
 H      5.216773      6.226813      6.769542
 H      7.610376      5.836438      6.984689
 H      7.117138      6.118651      8.758542
          10
         230
 N      5.791668      6.972935      7.212407
 C      7.168907      6.536012      7.780253
 C      8.060960      7.747930      7.633293
 O      9.088284      7.768515      8.327699
 O      7.606506      8.480896      6.657723
 H      6.431624      7.896657      6.602400
 H      5.236163      7.475480      7.883116
 H      5.219318      6.237410      6.746437
 H      7.617439      5.833506      7.000642
 H      7.106153      6.108651      8.767015
          10
         240
 N      5.790939      6.970591      7.216956
 C      7.162958      6.538071      7.774887
 C      8.062519      7.745581      7.627591
 O      9.088620      7.770790      8.330429
 O      7.606893      8.481204      6.657057
 H      6.466584      7.919046      6.606601
 H      5.255378      7.447476      7.899775
 H      5.225390      6.251135      6.726726
 H      7.618571      5.832315      7.024013
 H      7.096010      6.097209      8.778376
          10
         250
 N      5.791008      6.967923      7.220573
 C      7.156747      6.538990      7.769539
 C      8.064625      7.742895      7.623108
 O      9.088820      7.773269      8.332632
 O      7.606966      8.481997      6.656171
 H      6.504586      7.943657      6.607409
 H      5.265493      7.424759      7.924222
 H      5.234159      6.266899      6.710608
 H      7.614810      5.831242      7.051464
 H      7.087454      6.087093      8.787832
          10
         260
 N      5.791865      6.965060      7.223350
 C      7.150326      6.538836      7.764848
 C      8.067299      7.739836      7.620076
 O      9.088790      7.775938      8.334195
 O      7.606684      8.483245      6.655023
 H      6.544998      7.971201      6.604737
 H      5.266533      7.407143      7.954925
 H      5.244052      6.282584      6.697673
 H      7.607976      5.828042      7.079123
 H      7.080947      6.080473      8.792226
          10
         270
 N      5.793322      6.962345      7.225669
 C      7.143692      6.537816      7.761204
 C      8.070548      7.736330      7.618611
 O      9.088507      7.778753      8.335100
 O      7.606138      8.484933      6.653627
 H      6.587128      8.002164      6.598537
 H      5.261313      7.392137      7.987126
 H      5.253295      6.296036      6.686937
 H      7.599997      5.820356      7.103255
 H      7.076574      6.078554      8.790248
          10
         280
 N      5.795080      6.960070      7.228022
 C      7.136882      6.536180      7.758698
 C      8.074283      7.732331      7.618664
 O      9.087974      7.781707      8.335356
 O      7.605465      8.487077      6.652006
 H      6.629590      8.036409      6.588783
 H      5.253546      7.376644      8.015108
 H      5.260514      6.305502      6.677367
 H      7.592374      5.806672      7.121481
 H      7.074278      6.081333      8.782617
          10
         290
 N      5.796876      6.958317      7.230813
 C      7.129846      6.534098      7.757161
 C      8.078415      7.727702      7.620126
 O      9.087217      7.784865      8.334989
 O      7.604918      8.489793      6.650183
 H      6.670239      8.073546      6.575086
 H      5.245901      7.358279      8.035294
 H      5.265167      6.310330      6.668276
 H      7.585654      5.786660      7.133292
 H      7.073687      6.088341      8.771219
          10
         300
 N      5.798444      6.957065      7.234223
 C      7.122755      6.531639      7.756275
 C      8.082743      7.722378      7.622830
 O      9.086307      7.788237      8.334075
 O      7.604974      8.493203      6.648248
 H      6.703526      8.110979      6.557177
 H      5.239822      7.336141      8.045494
 H      5.267596      6.310822      6.660013
 H      7.579396      5.761726      7.139349
 H      7.074420      6.098464      8.759075
          10
         310
 N      5.799645      6.956171      7.238325
 C      7.115549      6.528709      7.755498
 C      8.087192      7.716118      7.626619
 O      9.085295      7.792001      8.332638
 O      7.606277      8.497695      6.646225
 H      6.723238      8.146723      6.533808
 H      5.235362      7.309381      8.046001
 H      5.269123      6.308199      6.653166
 H      7.572253      5.733402      7.141520
 H      7.076115      6.110553      8.749358
          10
         320
 N      5.800284      6.955420      7.242764
 C      7.108794      6.525335      7.754481
 C      8.091205      7.709205      7.630996
 O      9.084342      7.796003      8.330837
 O      7.609251      8.503186      6.644337
 H      6.722908      8.176176      6.506005
 H      5.231565      7.280277      8.039036
 H      5.270983      6.303911      6.649105
 H      7.563220      5.705952      7.141875
 H      7.078157      6.122657      8.745769
          10
         330
 N      5.800330      6.954656      7.246965
 C      7.103011      6.521601      7.753008
 C      8.094251      7.702062      7.635345
 O      9.083608      7.800043      8.328885
 O      7.613798      8.509360      6.642726
 H      6.704845      8.197866      6.476435
 H      5.226530      7.252005      8.028727
 H      5.274249      6.299406      6.648512
 H      7.551711      5.683221      7.142377
 H      7.079976      6.133309      8.750083
          10
         340
 N      5.799864      6.953717      7.250620
 C      7.098287      6.517401      7.751069
 C      8.096078      7.694782      7.639295
 O      9.083189      7.804135      8.326895
 O      7.619478      8.516025      6.641344
 H      6.678294      8.214111      6.447601
 H      5.217928      7.226206      8.019413
 H      5.279726      6.295383      6.651426
 H      7.537147      5.666592      7.144213
 H      7.081324      6.142187      8.762018
          10
         350
 N      5.798950      6.952454      7.253687
 C      7.094440      6.512435      7.748791
 C      8.096531      7.687126      7.642699
 O      9.083140      7.808469      8.324844
 O      7.625958      8.523243      6.640072
 H      6.652708      8.228133      6.421363
 H      5.203393      7.203019      8.014383
 H      5.287727      6.291497      6.657271
 H      7.518924      5.655785      7.147920
 H      7.082017      6.150215      8.779765
          10
         360
 N      5.797599      6.950907      7.256089
 C      7.091431      6.506698      7.746599
 C      8.095509      7.679232      7.645325
 O      9.083503      7.813017      8.322808
 O      7.632845      8.530829      6.638854
 H      6.636642      8.241625      6.400651
 H      5.182614      7.182972      8.015041
 H      5.297614      6.286760      6.664567
 H      7.497601      5.650292      7.153531
 H      7.081885      6.158257      8.799736
          10
         370
 N      5.795720      6.949183      7.257986
 C      7.089208      6.500314      7.744950
 C      8.093045      7.671322      7.646970
 O      9.084226      7.817717      8.320785
 O      7.639782      8.538593      6.637667
 H      6.635339      8.255386      6.387500
 H      5.157556      7.165778      8.020214
 H      5.308432      6.279961      6.671596
 H      7.474423      5.648549      7.160073
 H      7.080996      6.166830      8.818166
          10
         380
 N      5.793140      6.947399      7.259688
 C      7.087635      6.493514      7.744298
 C      8.089346      7.663617      7.647554
 O      9.085197      7.822504      8.318750
 O      7.646578      8.546382      6.636550
 H      6.650834      8.269807      6.382613
 H      5.131581      7.150598      8.027033
 H      5.319251      6.270089      6.676900
 H      7.451118      5.647923      7.166062
 H      7.079424      6.176302      8.831797
          10
         390
 N      5.789702      6.945649      7.261438
 C      7.086529      6.486715      7.744989
 C      8.084786      7.656396      7.647122
 O      9.086242      7.827252      8.316655
 O      7.653151      8.553996      6.635586
 H      6.681578      8.284723      6.385331
 H      5.108500      7.136723      8.032168
 H      5.329184      6.256801      6.679517
 H      7.429720      5.645552      7.169884
 H      7.077387      6.186493      8.838562
          10
         400
 N      5.785361      6.943986      7.263337
 C      7.085728      6.480441      7.747152
 C      8.079939      7.650086      7.645810
 O      9.087129      7.831730      8.314468
 O      7.659496      8.561151      6.634920
 H      6.721716      8.299248      6.393433
 H      5.091781      7.123720      8.033038
 H      5.337714      6.241043      6.679356
 H      7.412283      5.639176      7.170307
 H      7.075224      6.196445      8.838041
          10
         410
 N      5.780119      6.942270      7.265381
 C      7.085079      6.474860      7.750626
 C      8.075264      7.644802      7.643804
 O      9.087668      7.835858      8.312101
 O      7.666030      8.567882      6.634735
 H      6.762215      8.311998      6.403384
 H      5.082209      7.111273      8.029100
 H      5.345234      6.224291      6.677348
 H      7.399485      5.628138      7.167226
 H      7.073182      6.205307      8.831638
          10
         420
 N      5.773772      6.940238      7.267518
 C      7.084445      6.469842      7.755268
 C      8.070978      7.640494      7.641167
 O      9.087692      7.839750      8.309370
 O      7.673653      8.574535      6.635242
 H      6.793011      8.321287      6.411512
 H      5.078924      7.098897      8.021117
 H      5.352501      6.207850      6.674685
 H      7.390863      5.612808      7.161447
 H      7.071300      6.212559      8.821595
          10
         430
 N      5.766351      6.937667      7.269552
 C      7.083772      6.465220      7.760659
 C      8.067323      7.637163      7.637974
 O      9.087071      7.843421      8.306162
 O      7.683081      8.581339      6.636636
 H      6.805250      8.325519      6.414660
 H      5.079801      7.086653      8.011232
 H      5.360190      6.193367      6.672604
 H      7.385616      5.595308      7.154816
 H      7.069684      6.217038      8.811539
