16
styrene
6  -1.948586   -0.534406  -0.000117
1  -2.186057   -1.606829  -0.000400
6  -0.513837   -0.227701  -0.000063
6  -0.017197   1.085250  -0.000082
6  0.410043   -1.282132  0.000030
6  1.349982   1.330067  -0.000028
1  -0.714142   1.928962  -0.000137
6  1.780872   -1.039608  0.000054
1  0.037439   -2.312365  0.000049
6  2.256640   0.268748  0.000041
1  1.715925   2.361070  -0.000046
1  2.482072   -1.879256  0.000125
1  3.332777   0.464222  0.000063
6  -2.961746   0.337548  0.000146
1  -4.000116   -0.003850  0.000070
1  -2.804919   1.421449  0.000392
104
B
6  4.581654   -0.934330  -1.681673
6  3.512990   -0.984769  -0.772486
6  5.269567   0.251783  -1.915693
6  3.139130   0.200627  -0.131757
6  4.915716   1.412242  -1.229768
1  6.088083   0.267831  -2.641110
6  3.845675   1.379754  -0.339547
1  5.464644   2.343509  -1.400936
1  3.542146   2.281984  0.200583
6  2.851144   -2.280604  -0.497288
6  3.624905   -3.452692  -0.561120
7  1.538921   -2.353664  -0.186038
6  3.043043   -4.695234  -0.378325
1  4.699128   -3.369493  -0.736346
6  0.976380   -3.563765  -0.052080
6  1.673317   -4.758141  -0.143659
1  3.650168   -5.603634  -0.424139
1  -0.101954   -3.571976  0.139093
1  1.147862   -5.707506  -0.021735
45  0.080340   -0.729830  -0.065194
6  -1.337634   0.632252  -0.382895
7  -1.181343   1.952863  -0.712367
7  -2.641174   0.368223  -0.718099
6  -2.331683   2.464380  -1.299966
6  -0.063386   2.792307  -0.383850
6  -3.247587   1.470529  -1.302581
6  -3.384436   -0.780167  -0.285348
1  -2.382356   3.493312  -1.651003
6  0.035623   3.273918  0.941112
6  0.818627   3.198458  -1.399013
1  -4.277541   1.437506  -1.652253
6  -3.433824   -1.932692  -1.084865
6  -4.049848   -0.688894  0.953359
6  1.088708   4.141422  1.238232
6  -1.026749   2.977709  1.984009
6  1.839303   4.091135  -1.049665
6  0.660265   2.772152  -2.842476
6  -4.117218   -3.040804  -0.573059
6  -2.866537   -1.964926  -2.485356
6  -4.730861   -1.818936  1.411376
6  -4.079101   0.592742  1.765523
1  1.197259   4.529443  2.255203
6  1.981391   4.551048  0.251131
1  -1.415314   1.961083  1.790518
6  -0.521708   3.007259  3.419794
6  -2.198599   3.950178  1.841707
1  2.540487   4.424941  -1.821689
1  -0.057360   1.934799  -2.873251
6  1.957970   2.243228  -3.439113
6  0.109890   3.926032  -3.677562
1  -4.166099   -3.957899  -1.168967
6  -4.748388   -2.991685  0.664266
1  -2.188221   -1.103977  -2.602109
6  -2.032891   -3.205427  -2.766830
6  -4.001061   -1.821761  -3.497666
1  -5.251702   -1.781033  2.373991
1  -3.352107   1.294274  1.322000
6  -5.453968   1.249772  1.668821
6  -3.673527   0.403799  3.222696
1  2.790153   5.244091  0.502229
1  0.374639   2.384588  3.569760
1  -1.303898   2.630808  4.099597
1  -0.279396   4.032299  3.748919
1  -2.984154   3.721327  2.583296
1  -2.660724   3.911794  0.842736
1  -1.861481   4.986734  2.018278
1  2.728597   3.029892  -3.530728
1  1.769317   1.845802  -4.449888
1  2.363248   1.418037  -2.833342
1  -0.851642   4.303192  -3.290255
1  -0.050042   3.607274  -4.720817
1  0.811947   4.778550  -3.694057
1  -5.275621   -3.872091  1.043597
1  -1.204018   -3.293799  -2.046433
1  -1.578856   -3.132753  -3.768162
1  -2.633096   -4.132305  -2.739625
1  -4.701893   -2.673830  -3.439664
1  -3.602690   -1.783915  -4.524948
1  -4.586915   -0.902391  -3.328739
1  -5.746205   1.433249  0.621987
1  -5.465175   2.216939  2.199390
1  -6.231737   0.610277  2.121550
1  -4.383222   -0.238974  3.771152
1  -3.657742   1.379363  3.739161
1  -2.669973   -0.042790  3.320077
17  0.366921   -0.640806  -2.445457
1  2.278547   0.200801  0.538730
6  0.226360   -0.506352  2.101199
1  -0.129309   0.506634  2.326278
6  -0.728503   -1.473458  1.733752
1  -1.797071   -1.246550  1.791612
1  -0.510367   -2.539418  1.888101
1  4.863799   -1.830999  -2.241510
6  1.543032   -0.793299  2.704811
6  2.384677   0.277141  3.049625
6  2.016861   -2.092849  2.943982
6  3.650979   0.065042  3.583362
1  2.045079   1.301279  2.847677
6  3.286712   -2.309191  3.469642
1  1.382000   -2.954158  2.713896
6  4.113832   -1.233027  3.789491
1  4.286966   0.920772  3.829252
1  3.632764   -3.334130  3.637240
1  5.111810   -1.406084  4.202309
88
A
6  2.140420   -0.707018  -0.702444
6  3.152101   -1.567742  -0.189571
6  2.035955   -0.568276  -2.098739
6  3.982091   -2.269532  -1.068104
6  2.860320   -1.281969  -2.959411
1  1.284197   0.115483  -2.508017
6  3.842198   -2.132490  -2.445456
1  4.727982   -2.965371  -0.670990
1  2.742806   -1.171143  -4.042021
1  4.494182   -2.694202  -3.119818
6  3.200149   -1.751029  1.262439
6  4.285988   -2.293689  1.957516
7  2.087188   -1.354754  1.921201
6  4.212841   -2.428139  3.336962
1  5.185436   -2.593179  1.414312
6  2.014136   -1.489507  3.249528
6  3.055711   -2.021561  3.998490
1  5.056146   -2.845051  3.894620
1  1.065804   -1.172214  3.698918
1  2.955699   -2.113213  5.082166
45  0.576826   -0.459793  0.722418
6  -0.704004   0.462591  -0.473394
7  -0.615661   1.767347  -0.890512
7  -1.780127   -0.031714  -1.160037
6  -1.584623   2.055598  -1.845577
6  0.211407   2.765977  -0.274779
6  -2.303091   0.924179  -2.021806
6  -2.490053   -1.251008  -0.873075
1  -1.669299   3.042279  -2.296898
6  -0.087977   3.153329  1.049985
6  1.252704   3.357178  -1.009744
1  -3.147857   0.700637  -2.670029
6  -2.032971   -2.471327  -1.388481
6  -3.653670   -1.154857  -0.084054
6  0.718475   4.132385  1.631831
6  -1.289364   2.612576  1.799516
6  2.023201   4.340266  -0.378718
6  1.552185   3.003964  -2.451663
6  -2.787254   -3.616746  -1.117474
6  -0.772858   -2.583588  -2.213230
6  -4.374733   -2.326573  0.148672
6  -4.141762   0.154838  0.504710
1  0.515232   4.450543  2.658128
6  1.766913   4.719066  0.930461
1  -1.480167   1.581418  1.457439
6  -1.072273   2.501156  3.300263
6  -2.520859   3.458567  1.479675
1  2.841605   4.815160  -0.929497
1  0.939010   2.125916  -2.720415
6  3.014879   2.627459  -2.660934
6  1.150904   4.143176  -3.385364
1  -2.450347   -4.582539  -1.508432
6  -3.949952   -3.547269  -0.363010
1  -0.286632   -1.595239  -2.212620
6  0.214962   -3.561814  -1.589774
6  -1.083492   -2.940137  -3.662299
1  -5.283205   -2.283776  0.757605
1  -3.316583   0.884820  0.434425
6  -5.324621   0.710519  -0.284666
6  -4.497469   0.039595  1.982610
1  2.383482   5.485187  1.409580
1  -0.164024   1.918243  3.525206
1  -1.921226   1.970321  3.760392
1  -0.995137   3.485949  3.794107
1  -3.416550   3.045473  1.975358
1  -2.726008   3.497025  0.395675
1  -2.388415   4.497681  1.830804
1  3.680606   3.497297  -2.528989
1  3.174977   2.247479  -3.684173
1  3.340397   1.843479  -1.957885
1  0.085773   4.407831  -3.281139
1  1.332476   3.871981  -4.438639
1  1.735423   5.054239  -3.170304
1  -4.527621   -4.454404  -0.162554
1  0.436655   -3.277690  -0.545790
1  1.164057   -3.563570  -2.153315
1  -0.174141   -4.594698  -1.591261
1  -1.553227   -3.936092  -3.743028
1  -0.158650   -2.959722  -4.264414
1  -1.772765   -2.210367  -4.120102
1  -5.092420   0.842791  -1.353902
1  -5.634168   1.690853  0.116914
1  -6.194136   0.033010  -0.218096
1  -5.381244   -0.600872  2.146362
1  -4.748575   1.034883  2.388762
1  -3.652172   -0.368950  2.558311
17  -1.106161   -1.036858  2.266319
1  1.901294   0.304521  -0.082905
88
TSC
6  2.034542   -0.719196  -0.640150
6  3.161762   -1.455090  -0.180203
6  1.972595   -0.432154  -2.013726
6  4.138713   -1.898438  -1.079537
6  2.941859   -0.889402  -2.901670
1  1.135316   0.157680  -2.402745
6  4.034089   -1.624215  -2.437734
1  4.987696   -2.486769  -0.716643
1  2.848178   -0.661278  -3.968802
1  4.799457   -1.981039  -3.132086
6  3.202228   -1.759991  1.250147
6  4.277241   -2.358392  1.916272
7  2.084118   -1.416265  1.929286
6  4.187835   -2.596581  3.280453
1  5.180285   -2.627116  1.363763
6  1.993885   -1.649619  3.241506
6  3.025981   -2.238363  3.960798
1  5.023551   -3.060232  3.812263
1  1.041007   -1.364133  3.702151
1  2.913957   -2.412118  5.033057
45  0.594341   -0.459863  0.750260
6  -0.691792   0.458808  -0.461233
7  -0.652020   1.769977  -0.853798
7  -1.716119   -0.079764  -1.190530
6  -1.596735   2.024153  -1.841353
6  0.100878   2.804368  -0.199429
6  -2.252591   0.861844  -2.059429
6  -2.375398   -1.337764  -0.939248
1  -1.710482   3.012530  -2.282614
6  -0.278045   3.175616  1.109391
6  1.148657   3.441515  -0.884645
1  -3.060644   0.607312  -2.742121
6  -1.866147   -2.523832  -1.486776
6  -3.546685   -1.312806  -0.155560
6  0.451977   4.192675  1.726462
6  -1.481507   2.573320  1.806276
6  1.838797   4.461351  -0.220332
6  1.542999   3.095735  -2.304873
6  -2.561698   -3.710162  -1.235940
6  -0.626917   -2.551523  -2.347945
6  -4.206949   -2.523649  0.056986
6  -4.118313   -0.036206  0.429612
1  0.186566   4.499438  2.741891
6  1.501880   4.829461  1.073288
1  -1.594599   1.529109  1.468505
6  -1.335130   2.492955  3.317566
6  -2.743533   3.342569  1.418619
1  2.660246   4.972906  -0.732230
1  0.980075   2.195240  -2.604460
6  3.027439   2.767089  -2.421056
6  1.157813   4.218191  -3.264907
1  -2.182011   -4.649349  -1.651367
6  -3.721414   -3.712865  -0.474028
1  -0.164902   -1.555314  -2.291290
6  0.406642   -3.545849  -1.835809
6  -0.976654   -2.806040  -3.810012
1  -5.117791   -2.536303  0.663284
1  -3.322643   0.728805  0.412219
6  -5.284404   0.477820  -0.412386
6  -4.549738   -0.190584  1.882865
1  2.057529   5.624717  1.578700
1  -0.404726   1.974434  3.600274
1  -2.172000   1.915239  3.741958
1  -1.347521   3.487050  3.798399
1  -3.634513   2.887665  1.885220
1  -2.905765   3.352579  0.326858
1  -2.683492   4.392575  1.756675
1  3.656078   3.654813  -2.236282
1  3.265369   2.404665  -3.435306
1  3.327470   1.982145  -1.707135
1  0.079186   4.443770  -3.224427
1  1.410193   3.950740  -4.304428
1  1.695493   5.150736  -3.021420
1  -4.252257   -4.651028  -0.287610
1  0.644686   -3.355364  -0.775173
1  1.343091   -3.457242  -2.413104
1  0.057150   -4.588833  -1.927712
1  -1.429325   -3.803397  -3.950246
1  -0.070971   -2.758311  -4.438983
1  -1.694953   -2.059748  -4.190316
1  -5.005524   0.643938  -1.465286
1  -5.664724   1.432410  -0.009780
1  -6.119505   -0.244672  -0.403289
1  -5.431934   -0.846223  1.983303
1  -4.836861   0.791023  2.297845
1  -3.731859   -0.601391  2.493732
17  -1.105771   -1.055318  2.310264
1  1.682352   0.556451  0.250305
88
D
6  -2.013200   -0.717857  -0.632041
6  -3.187541   -1.362339  -0.160558
6  -1.954455   -0.423330  -2.001758
6  -4.226749   -1.696398  -1.039289
6  -2.982485   -0.774816  -2.874058
1  -1.076951   0.088337  -2.413221
6  -4.129512   -1.408986  -2.395026
1  -5.121423   -2.203913  -0.663846
1  -2.892069   -0.539658  -3.940239
1  -4.941578   -1.679347  -3.075438
6  -3.220778   -1.692105  1.264884
6  -4.306260   -2.261912  1.939487
7  -2.078834   -1.409253  1.933496
6  -4.202696   -2.531569  3.296769
1  -5.228227   -2.485756  1.398542
6  -1.974231   -1.672737  3.238783
6  -3.016421   -2.234911  3.964623
1  -5.047217   -2.973239  3.833503
1  -1.002888   -1.431283  3.686671
1  -2.893370   -2.436116  5.030808
45  -0.583975   -0.466657  0.749375
6  0.676627   0.439983  -0.488714
7  1.671188   -0.125997  -1.239090
7  0.642881   1.746098  -0.895465
6  2.194504   0.796819  -2.136282
6  2.333435   -1.379914  -0.966007
6  1.561282   1.971284  -1.914457
6  -0.053183   2.806867  -0.217409
1  2.980532   0.522816  -2.836966
6  3.525360   -1.333601  -0.213572
6  1.806804   -2.584509  -1.454958
1  1.677488   2.952191  -2.371315
6  -1.137201   3.445904  -0.841988
6  0.416582   3.196186  1.056632
6  4.183860   -2.539053  0.030847
6  4.124683   -0.042039  0.306840
6  2.501622   -3.764442  -1.172223
6  0.546779   -2.648662  -2.283233
6  -1.759078   4.495347  -0.156534
6  -1.651026   3.061973  -2.212729
6  -0.249681   4.241124  1.698207
6  1.644991   2.580573  1.694705
1  5.109723   -2.532699  0.614063
6  3.678580   -3.745656  -0.438388
1  3.346594   0.738040  0.252278
6  4.555098   -0.133800  1.766050
6  5.295895   0.405833  -0.564992
1  2.106292   -4.716275  -1.541680
1  0.107392   -1.640947  -2.298043
6  -0.491453   -3.578712  -1.667939
6  0.852109   -3.027429  -3.728183
1  -2.605973   5.009592  -0.622114
6  -1.326744   4.887137  1.101271
1  -1.113321   2.153952  -2.533825
6  -3.138110   2.724300  -2.182587
6  -1.361402   4.158213  -3.234374
1  0.088548   4.562130  2.687334
1  1.730812   1.535246  1.352190
6  2.893116   3.340460  1.248165
6  1.571249   2.500421  3.211725
1  4.207830   -4.679277  -0.226671
1  3.725004   -0.485017  2.398533
1  4.877488   0.858180  2.127816
1  5.414751   -0.812715  1.900494
1  5.695507   1.372894  -0.214285
1  5.013199   0.521898  -1.623871
1  6.118425   -0.329735  -0.523323
1  -0.160361   -4.631568  -1.685074
1  -1.441659   -3.518672  -2.225766
1  -0.699789   -3.305459  -0.618514
1  1.578317   -2.332691  -4.183240
1  -0.068293   -3.004424  -4.336499
1  1.275159   -4.044657  -3.801026
1  -1.830856   5.705571  1.623423
1  -3.362033   1.943669  -1.436198
1  -3.469494   2.349517  -3.165492
1  -3.750968   3.611039  -1.946574
1  -1.887163   5.093592  -2.975997
1  -1.698672   3.856042  -4.239700
1  -0.286002   4.394318  -3.294136
1  3.009038   3.342613  0.150479
1  3.800995   2.886253  1.681182
1  2.850754   4.392810  1.581194
1  1.629361   3.493173  3.691799
1  2.415771   1.902816  3.591120
1  0.645721   2.001206  3.540457
17  1.139070   -1.044782  2.332018
1  -1.440562   0.794586  0.642301
88
D_isomer
6  0.096315   1.958179  -1.142543
6  1.344541   2.614773  -1.335221
6  -1.041102   2.768313  -1.013900
6  1.413897   4.014299  -1.392047
6  -0.960699   4.158942  -1.068975
1  -2.021741   2.294591  -0.884231
6  0.270094   4.789435  -1.254669
1  2.375324   4.512432  -1.556751
1  -1.871610   4.761239  -0.977270
1  0.334423   5.879893  -1.305426
6  2.541735   1.776430  -1.490116
6  3.856242   2.255679  -1.555638
7  2.307936   0.447803  -1.568087
6  4.904415   1.356220  -1.703249
1  4.056282   3.327180  -1.484013
6  3.309556   -0.415797  -1.723578
6  4.636515   -0.007554  -1.793776
1  5.934097   1.722820  -1.751332
1  3.010091   -1.468765  -1.804596
1  5.434504   -0.742842  -1.917418
45  0.142832   -0.039545  -1.318406
6  -0.598801   -0.541405  0.378654
7  -1.878121   -0.788076  0.800448
7  0.188713   -1.012238  1.396827
6  -1.873363   -1.464132  2.012517
6  -3.100342   -0.340072  0.197709
6  -0.583948   -1.596344  2.389132
6  1.613955   -0.874824  1.505488
1  -2.798727   -1.786896  2.483633
6  -3.682781   0.845260  0.690590
6  -3.688491   -1.116949  -0.813480
1  -0.132537   -2.040159  3.273518
6  2.427069   -2.003393  1.302009
6  2.129806   0.383347  1.882276
6  -4.886077   1.256405  0.112046
6  -3.077073   1.627943  1.841990
6  -4.890531   -0.655701  -1.358594
6  -3.096296   -2.435292  -1.259511
6  3.806920   -1.835691  1.462167
6  1.860660   -3.375513  0.995909
6  3.515255   0.492994  2.015810
6  1.219470   1.560537  2.182178
1  -5.367324   2.173496  0.464847
6  -5.480435   0.517752  -0.906114
1  -1.989227   1.420764  1.854745
6  -3.256924   3.136148  1.720920
6  -3.664098   1.170206  3.177706
1  -5.372884   -1.234105  -2.152491
1  -2.036466   -2.467599  -0.952200
6  -3.103327   -2.607192  -2.771439
6  -3.824272   -3.586919  -0.570203
1  4.470211   -2.693257  1.312529
6  4.345816   -0.603751  1.805338
1  0.839404   -3.237127  0.597197
6  2.643010   -4.127232  -0.072912
6  1.797745   -4.214131  2.272072
1  3.956320   1.453966  2.294126
1  0.403371   1.544103  1.436483
6  0.596183   1.436187  3.572905
6  1.900808   2.915236  2.055163
1  -6.420245   0.860910  -1.348542
1  -2.953209   3.519086  0.736243
1  -2.646674   3.649654  2.482388
1  -4.304307   3.436341  1.896935
1  -3.209438   1.728717  4.013270
1  -3.508410   0.098328  3.369010
1  -4.751961   1.357958  3.200037
1  -4.124265   -2.724107  -3.176108
1  -2.529223   -3.506161  -3.045772
1  -2.621011   -1.752124  -3.271201
1  -3.773959   -3.505911  0.528882
1  -3.379848   -4.553943  -0.857539
1  -4.892097   -3.608787  -0.852415
1  5.428791   -0.494225  1.917785
1  2.696564   -3.553047  -1.009948
1  2.130547   -5.073894  -0.309296
1  3.663343   -4.386236  0.259581
1  2.811814   -4.389006  2.673146
1  1.344712   -5.198575  2.069453
1  1.211786   -3.733197  3.071672
1  -0.004815   0.520769  3.693354
1  -0.067225   2.295434  3.773818
1  1.381067   1.430110  4.349803
1  2.601716   3.102788  2.888020
1  1.142710   3.716082  2.078203
1  2.454100   3.018226  1.108356
17  0.422301   -2.339234  -2.043500
1  -1.368923   -0.055182  -1.586723
104
E
6  0.627955   -1.844716  0.216843
6  -0.288038   -2.929972  0.271275
6  1.820266   -1.965489  0.940040
6  0.032074   -4.093140  0.988904
6  2.119789   -3.118078  1.662950
1  2.549298   -1.146152  0.912041
6  1.230320   -4.193771  1.681942
1  -0.668462   -4.934696  1.016068
1  3.070644   -3.188808  2.203432
1  1.470835   -5.104965  2.236824
6  -1.558361   -2.784753  -0.449144
6  -2.552946   -3.770149  -0.530600
7  -1.731220   -1.601837  -1.076779
6  -3.705800   -3.521499  -1.262054
1  -2.416066   -4.731070  -0.029297
6  -2.828839   -1.367486  -1.793189
6  -3.854157   -2.297828  -1.911703
1  -4.484920   -4.286208  -1.331977
1  -2.860384   -0.392301  -2.295557
1  -4.742362   -2.063641  -2.502753
45  0.109015   -0.339153  -1.002278
6  -0.363701   1.038970  0.443737
7  0.485339   2.000505  0.929785
7  -1.592759   1.446437  0.877988
6  -0.213449   3.005774  1.581170
6  1.921510   2.047144  0.861858
6  -1.515259   2.655236  1.555890
6  -2.850547   0.758966  0.783423
1  0.293676   3.870367  2.003602
6  2.663778   1.448806  1.900557
6  2.527447   2.760729  -0.186682
1  -2.400639   3.129734  1.972343
6  -3.850170   1.287673  -0.051455
6  -3.068928   -0.349976  1.629097
6  4.056528   1.544019  1.833303
6  1.999445   0.787948  3.093897
6  3.924222   2.831951  -0.198576
6  1.720332   3.476869  -1.246365
6  -5.100678   0.658546  -0.034911
6  -3.649759   2.528162  -0.901487
6  -4.332486   -0.942307  1.593929
6  -1.997197   -0.853356  2.580605
1  4.665738   1.082987  2.615621
6  4.681903   2.224195  0.793924
1  1.059931   0.319917  2.739873
6  2.848702   -0.297563  3.742972
6  1.648344   1.829238  4.158701
1  4.423232   3.380003  -1.004208
1  0.697749   3.061064  -1.246656
6  2.265549   3.258496  -2.650874
6  1.636852   4.967758  -0.927512
1  -5.902573   1.047379  -0.670670
6  -5.339190   -0.444070  0.771499
1  -2.565628   2.731398  -0.959977
6  -4.125319   2.349812  -2.338237
6  -4.357940   3.725699  -0.269601
1  -4.539994   -1.809392  2.226455
1  -1.036834   -0.843179  2.031600
6  -1.858036   0.062923  3.796729
6  -2.219327   -2.279571  3.061451
1  5.773902   2.288714  0.765183
1  3.284038   -0.990481  3.008278
1  2.233249   -0.891636  4.438776
1  3.675029   0.135636  4.333265
1  1.205142   1.343710  5.044245
1  0.932386   2.584383  3.802120
1  2.560647   2.356831  4.488357
1  3.227545   3.776117  -2.813727
1  1.548375   3.641074  -3.393983
1  2.407132   2.186556  -2.864212
1  1.182634   5.156242  0.059486
1  1.027242   5.491393  -1.682182
1  2.639741   5.431006  -0.924207
1  -6.323513   -0.922046  0.767450
1  -3.590660   1.530117  -2.841072
1  -3.911203   3.264343  -2.915047
1  -5.212982   2.171696  -2.401904
1  -5.450751   3.568663  -0.244017
1  -4.168023   4.641667  -0.852946
1  -4.034828   3.915509  0.766715
1  -1.578275   1.094334  3.530748
1  -1.082230   -0.325047  4.479235
1  -2.807758   0.104244  4.359020
1  -3.068377   -2.347504  3.764679
1  -1.322589   -2.632975  3.596924
1  -2.404582   -2.979835  2.231355
17  -0.768851   1.380827  -2.600288
1  1.450889   0.400136  -0.808554
6  1.646858   -0.952327  -2.610186
6  0.464781   -1.626143  -2.830463
1  0.357895   -2.683642  -2.563260
1  -0.276235   -1.209491  -3.518607
1  1.761255   0.025858  -3.095657
6  2.894203   -1.535813  -2.074910
6  3.944892   -0.682810  -1.709743
6  3.073646   -2.915696  -1.923215
6  5.127946   -1.189418  -1.183633
1  3.812758   0.401150  -1.816757
6  4.259486   -3.425988  -1.403570
1  2.271740   -3.603267  -2.210198
6  5.288898   -2.566051  -1.025987
1  5.930261   -0.503514  -0.894578
1  4.378821   -4.507526  -1.289416
1  6.219759   -2.968436  -0.615436
104
TSF
6  0.475079   -1.976333  0.035059
6  -0.502212   -3.004410  0.028127
6  1.651538   -2.204076  0.756116
6  -0.269326   -4.216569  0.694865
6  1.869047   -3.403677  1.430376
1  2.429579   -1.432431  0.773510
6  0.911557   -4.420324  1.395818
1  -1.024867   -5.009933  0.675530
1  2.806022   -3.553790  1.978748
1  1.087874   -5.366674  1.914774
6  -1.737507   -2.715240  -0.696343
6  -2.801310   -3.607610  -0.878875
7  -1.800965   -1.468790  -1.222809
6  -3.912304   -3.210596  -1.608903
1  -2.745332   -4.613394  -0.455553
6  -2.857429   -1.093729  -1.947630
6  -3.944483   -1.931185  -2.160138
1  -4.746820   -3.901861  -1.757710
1  -2.788758   -0.086738  -2.377346
1  -4.792932   -1.581268  -2.752394
45  0.023821   -0.373691  -1.070868
6  -0.341297   0.948486  0.543449
7  0.548384   1.845371  1.075864
7  -1.537942   1.346176  1.070659
6  -0.090621   2.791770  1.866567
6  1.971902   1.931125  0.893818
6  -1.400756   2.473824  1.868225
6  -2.826760   0.731760  0.913100
1  0.459582   3.593278  2.354968
6  2.815845   1.244345  1.791352
6  2.469727   2.814625  -0.081192
1  -2.252345   2.919845  2.376799
6  -3.791606   1.383732  0.124224
6  -3.106450   -0.441304  1.644527
6  4.192903   1.448532  1.666121
6  2.273529   0.376228  2.911513
6  3.856694   2.986070  -0.155648
6  1.566185   3.621428  -0.987886
6  -5.069858   0.816767  0.069846
6  -3.518565   2.685279  -0.605504
6  -4.397264   -0.965367  1.544719
6  -2.069831   -1.089271  2.546407
1  4.877778   0.928108  2.341237
6  4.710132   2.312638  0.707182
1  1.346271   -0.105415  2.544342
6  3.236300   -0.723936  3.342315
6  1.921185   1.225574  4.134106
1  4.269710   3.671873  -0.902148
1  0.558506   3.172600  -0.965219
6  2.014070   3.580665  -2.442284
6  1.468581   5.063674  -0.496238
1  -5.843895   1.301104  -0.533867
6  -5.369612   -0.344418  0.766417
1  -2.423410   2.813295  -0.673690
6  -4.039652   2.688262  -2.037365
6  -4.121403   3.863572  0.158124
1  -4.653454   -1.878245  2.088411
1  -1.106773   -1.081961  2.001558
6  -1.887177   -0.298337  3.842318
6  -2.380803   -2.538377  2.891798
1  5.791761   2.463563  0.636322
1  3.661413   -1.277303  2.488990
1  2.714877   -1.448777  3.988422
1  4.077161   -0.316568  3.930318
1  1.582275   0.584945  4.965159
1  1.122061   1.954632  3.931928
1  2.809483   1.781986  4.481748
1  2.961395   4.124369  -2.605307
1  1.246632   4.041626  -3.083804
1  2.137551   2.543751  -2.793206
1  1.088854   5.126838  0.536828
1  0.787626   5.645393  -1.139098
1  2.455033   5.560322  -0.517192
1  -6.374916   -0.772720  0.709146
1  -3.624735   1.854971  -2.623349
1  -3.726205   3.615839  -2.543412
1  -5.142153   2.649793  -2.081245
1  -5.221004   3.774904  0.210771
1  -3.888588   4.814635  -0.348703
1  -3.751570   3.937035  1.193058
1  -1.502224   0.719847  3.674310
1  -1.175470   -0.815086  4.507868
1  -2.847211   -0.214324  4.382033
1  -3.235886   -2.618526  3.586481
1  -1.510758   -2.996690  3.389715
1  -2.606251   -3.144545  1.999394
17  -0.774151   1.513380  -2.523450
1  1.560490   0.188668  -1.188032
6  1.833704   -0.614869  -2.409834
6  0.678891   -1.328697  -2.849684
1  0.093878   -0.907743  -3.674354
1  0.653273   -2.421695  -2.759775
1  2.035092   0.323195  -2.953331
6  3.083254   -1.293587  -1.942912
6  4.123139   -0.515759  -1.420308
6  3.253642   -2.679308  -2.004203
6  5.289962   -1.105719  -0.946267
1  3.998108   0.573113  -1.362495
6  4.421802   -3.273592  -1.532687
1  2.458609   -3.309038  -2.413307
6  5.440945   -2.491475  -0.995242
1  6.087099   -0.478581  -0.534723
1  4.532706   -4.360743  -1.582843
1  6.356802   -2.959672  -0.622617
104
G
6  -1.243970   1.116588  -1.180005
6  -1.867823   2.385205  -1.322830
6  -1.267324   0.270828  -2.294993
6  -2.529263   2.737727  -2.506982
6  -1.908560   0.632797  -3.478542
1  -0.769043   -0.702929  -2.239547
6  -2.557140   1.863415  -3.585558
1  -3.014459   3.715199  -2.599235
1  -1.904335   -0.054524  -4.332619
1  -3.066499   2.145133  -4.511241
6  -1.731553   3.304332  -0.193166
6  -2.312906   4.575038  -0.106366
7  -0.957890   2.842277  0.818784
6  -2.082320   5.359206  1.014933
1  -2.946510   4.940275  -0.917365
6  -0.731036   3.598039  1.897701
6  -1.271890   4.869500  2.037347
1  -2.534460   6.352306  1.091141
1  -0.108408   3.129549  2.670811
1  -1.062591   5.456051  2.934243
45  -0.415567   0.796348  0.615732
6  -0.269283   -1.217425  0.595110
7  0.747817   -2.084730  0.884184
7  -1.403452   -1.985509  0.698871
6  0.251264   -3.332381  1.236561
6  2.147126   -1.856599  0.632219
6  -1.093943   -3.267782  1.132991
6  -2.695187   -1.634706  0.165890
1  0.913200   -4.148172  1.519202
6  2.573359   -1.869754  -0.712952
6  3.035835   -1.654150  1.701230
1  -1.866813   -4.010531  1.317073
6  -3.472245   -0.644755  0.797607
6  -3.113116   -2.272715  -1.018776
6  3.911216   -1.572124  -0.974140
6  1.648481   -2.274946  -1.845212
6  4.369568   -1.374617  1.381628
6  2.623755   -1.797907  3.150243
6  -4.688510   -0.298143  0.208029
6  -3.019850   0.007073  2.083905
6  -4.349587   -1.899605  -1.555449
6  -2.305212   -3.353850  -1.717015
1  4.267388   -1.538897  -2.007872
6  4.799209   -1.309752  0.063285
1  0.616005   -2.013539  -1.551567
6  1.928708   -1.572075  -3.166534
6  1.698088   -3.791295  -2.033682
1  5.083697   -1.197997  2.191448
1  1.530896   -1.654495  3.204976
6  3.246020   -0.742602  4.054711
6  2.977371   -3.196083  3.655461
1  -5.307478   0.475780  0.668622
6  -5.125454   -0.917596  -0.957767
1  -1.929019   0.206420  2.021245
6  -3.674584   1.343547  2.386647
6  -3.166263   -0.944025  3.268562
1  -4.700974   -2.378413  -2.474819
1  -1.278232   -3.335703  -1.310625
6  -2.896882   -4.734005  -1.435858
6  -2.182749   -3.147708  -3.222789
1  5.841131   -1.063963  -0.162344
1  1.987452   -0.476922  -3.053461
1  1.125176   -1.794398  -3.889650
1  2.873567   -1.914625  -3.622559
1  1.000753   -4.112514  -2.826973
1  1.432801   -4.332464  -1.110606
1  2.713475   -4.110595  -2.327210
1  4.331201   -0.897309  4.189119
1  2.785166   -0.788465  5.054897
1  3.070965   0.269703  3.659893
1  2.509872   -3.995490  3.057084
1  2.653405   -3.325964  4.701485
1  4.068969   -3.361271  3.620008
1  -6.081076   -0.628438  -1.404289
1  -3.611787   2.042497  1.534415
1  -3.161592   1.811271  3.243547
1  -4.738245   1.233187  2.661668
1  -4.229572   -1.191936  3.436265
1  -2.766771   -0.476408  4.182966
1  -2.615233   -1.885335  3.112996
1  -2.989132   -4.941690  -0.358006
1  -2.274589   -5.527158  -1.883209
1  -3.908550   -4.818306  -1.869448
1  -3.157135   -3.222450  -3.734236
1  -1.533832   -3.926474  -3.657514
1  -1.748133   -2.167586  -3.471461
17  0.387339   0.719808  2.969249
1  1.015154   2.943421  -1.370204
6  1.756099   2.512659  -0.673239
6  1.379431   1.095750  -0.286854
1  1.417026   0.454014  -1.182419
1  2.093173   0.705287  0.460026
1  1.798280   3.163715  0.218155
6  3.102878   2.435625  -1.337595
6  4.277980   2.440680  -0.578702
6  3.200715   2.226041  -2.717936
6  5.518786   2.254987  -1.183382
1  4.209140   2.583905  0.506361
6  4.439135   2.035606  -3.326515
1  2.281039   2.209515  -3.317021
6  5.603705   2.049824  -2.559748
1  6.428404   2.268946  -0.574683
1  4.496955   1.879098  -4.408212
1  6.578120   1.905839  -3.036128
104
TSH
6  -0.533564   1.770863  -0.907510
6  -0.680265   3.160167  -0.610013
6  -1.257434   1.284726  -2.013642
6  -1.512604   3.975751  -1.387627
6  -2.091311   2.096669  -2.765644
1  -1.141237   0.231119  -2.280551
6  -2.223716   3.455837  -2.459738
1  -1.637044   5.029931  -1.117665
1  -2.647667   1.663019  -3.603993
1  -2.880476   4.098660  -3.051608
6  0.011018   3.648035  0.577684
6  0.269088   4.990725  0.878521
7  0.439116   2.669121  1.405723
6  0.983151   5.303994  2.026041
1  -0.073536   5.775963  0.200645
6  1.116482   2.968546  2.516474
6  1.422008   4.278165  2.863119
1  1.202787   6.347909  2.267434
1  1.396163   2.117394  3.146110
1  1.986315   4.485451  3.774525
45  -0.100413   0.734210  0.781669
6  -0.718279   -1.154532  0.410210
7  0.003003   -2.260535  0.775261
7  -1.988486   -1.637937  0.221937
6  -0.814256   -3.374376  0.906369
6  1.435655   -2.317469  0.878902
6  -2.062180   -2.981994  0.567966
6  -3.060106   -1.009760  -0.509444
1  -0.421556   -4.338123  1.224856
6  2.188408   -2.338034  -0.317278
6  2.038531   -2.392216  2.145306
1  -3.003773   -3.525685  0.530134
6  -3.943675   -0.127153  0.128547
6  -3.209060   -1.364238  -1.869705
6  3.579389   -2.376127  -0.206871
6  1.527533   -2.390440  -1.682683
6  3.436843   -2.434464  2.195983
6  1.240607   -2.490714  3.426620
6  -4.972864   0.431436  -0.638335
6  -3.856402   0.199258  1.599190
6  -4.265005   -0.794013  -2.581639
6  -2.295994   -2.357836  -2.565664
1  4.193889   -2.371266  -1.111197
6  4.199993   -2.414037  1.037953
1  0.627602   -1.747744  -1.641672
6  2.400060   -1.871425  -2.817057
6  1.071577   -3.814875  -2.001230
1  3.932412   -2.486195  3.170422
1  0.207314   -2.170316  3.208407
6  1.764605   -1.558920  4.511448
6  1.217360   -3.934052  3.925285
1  -5.667998   1.130106  -0.161772
6  -5.136567   0.105080  -1.976107
1  -2.944279   -0.264541  2.005468
6  -3.725575   1.697946  1.838974
6  -5.047260   -0.388587  2.349805
1  -4.405599   -1.056414  -3.635430
1  -1.387992   -2.473498  -1.948691
6  -2.961220   -3.728934  -2.671675
6  -1.841228   -1.907165  -3.950677
1  5.292351   -2.439276  1.100942
1  2.825747   -0.877383  -2.604265
1  1.802917   -1.792381  -3.740999
1  3.237098   -2.556458  -3.038051
1  0.569698   -3.851212  -2.984315
1  0.368787   -4.214694  -1.252665
1  1.941213   -4.493822  -2.043927
1  2.748137   -1.879290  4.897969
1  1.065813   -1.541507  5.363582
1  1.847227   -0.526959  4.136100
1  0.801682   -4.629392  3.176906
1  0.607253   -4.020193  4.839699
1  2.235271   -4.287601  4.167937
1  -5.953707   0.548147  -2.553122
1  -2.866714   2.111390  1.282017
1  -3.550478   1.895553  2.908967
1  -4.634491   2.247551  1.535677
1  -6.002638   0.057255  2.020347
1  -4.948393   -0.202655  3.431935
1  -5.121214   -1.479433  2.200700
1  -3.268256   -4.121071  -1.689973
1  -2.275998   -4.462790  -3.129309
1  -3.865154   -3.674202  -3.303293
1  -2.672515   -1.901970  -4.676075
1  -1.083277   -2.606365  -4.344010
1  -1.395947   -0.898984  -3.948133
17  -0.724535   0.263372  3.035804
1  1.709403   2.906060  -1.967238
6  2.158998   2.205269  -1.241161
6  1.220924   1.037475  -0.957894
1  1.050839   0.457825  -1.877014
1  1.764611   0.346616  -0.272141
1  2.347972   2.777899  -0.315644
6  3.466268   1.683598  -1.771463
6  3.761852   1.724519  -3.137134
6  4.387205   1.077926  -0.907303
6  4.944554   1.174940  -3.630306
1  3.047810   2.194397  -3.823208
6  5.569109   0.528659  -1.394923
1  4.162111   1.031828  0.166201
6  5.850825   0.572538  -2.760745
1  5.159418   1.217981  -4.702343
1  6.277250   0.061189  -0.703134
1  6.780215   0.142264  -3.145346
104
I
6  3.253864   -1.128125  1.408970
6  2.215753   -1.207380  0.453813
6  2.910156   -1.032927  2.762967
6  0.859393   -1.101654  0.879093
6  1.583810   -0.999357  3.187170
1  3.715205   -0.971024  3.502844
6  0.563723   -1.034992  2.249578
1  0.025363   -1.636523  0.215975
1  1.351047   -0.929661  4.254252
1  -0.482824   -0.997626  2.568398
6  2.406393   -1.264484  -1.008166
6  3.458896   -1.903347  -1.674782
7  1.415809   -0.677887  -1.721633
6  3.512080   -1.880343  -3.062609
1  4.219843   -2.441646  -1.109495
6  1.473034   -0.640116  -3.057454
6  2.513402   -1.218553  -3.771722
1  4.328968   -2.384991  -3.586637
1  0.643336   -0.111818  -3.542487
1  2.523649   -1.165111  -4.862466
45  -0.320865   -0.137429  -0.641712
6  -1.954808   0.166168  0.432437
7  -2.406516   1.300639  1.052738
7  -2.852968   -0.799920  0.814860
6  -3.516097   1.027750  1.843273
6  -2.019273   2.653092  0.746428
6  -3.805945   -0.283097  1.685987
6  -2.934633   -2.109262  0.233258
1  -3.995852   1.805074  2.434288
6  -0.859365   3.202775  1.308996
6  -2.857445   3.387203  -0.116679
1  -4.599581   -0.901654  2.100580
6  -3.304701   -2.211998  -1.125863
6  -2.689964   -3.241359  1.028911
6  -0.558253   4.534875  1.010008
6  0.066684   2.413937  2.204476
6  -2.518899   4.716637  -0.370931
6  -4.089207   2.792193  -0.772337
6  -3.380032   -3.491590  -1.677822
6  -3.706201   -1.004056  -1.948312
6  -2.788724   -4.499817  0.425018
6  -2.365522   -3.159470  2.506095
1  0.344769   4.986291  1.434039
6  -1.381602   5.289316  0.186417
1  -0.314936   1.381033  2.252239
6  1.471552   2.342599  1.616233
6  0.077842   2.965410  3.625561
1  -3.151733   5.311915  -1.036619
1  -4.034444   1.694722  -0.664044
6  -4.150921   3.079701  -2.268308
6  -5.368885   3.265879  -0.087863
1  -3.659039   -3.604101  -2.729209
6  -3.119430   -4.626020  -0.915901
1  -3.145888   -0.129236  -1.580031
6  -3.343106   -1.118194  -3.420093
6  -5.197423   -0.728394  -1.763372
1  -2.600656   -5.397545  1.022821
1  -2.188069   -2.098557  2.756405
6  -3.547449   -3.634175  3.347997
6  -1.104626   -3.937799  2.865994
1  -1.130273   6.331064  -0.033444
1  1.443988   1.921967  0.594577
1  2.116890   1.695148  2.235690
1  1.945155   3.338505  1.567431
1  0.712920   2.343250  4.279539
1  -0.936201   2.990090  4.059063
1  0.477729   3.993894  3.659668
1  -4.306280   4.152319  -2.476478
1  -5.001966   2.542476  -2.721722
1  -3.225263   2.753426  -2.767575
1  -5.377141   3.042326  0.991204
1  -6.252842   2.782943  -0.539068
1  -5.492302   4.357682  -0.198578
1  -3.185527   -5.617866  -1.372566
1  -2.272621   -1.350826  -3.544500
1  -3.528459   -0.156110  -3.924444
1  -3.937395   -1.884817  -3.948107
1  -5.805337   -1.568602  -2.144305
1  -5.496049   0.181640  -2.312046
1  -5.460824   -0.581382  -0.701413
1  -4.464044   -3.058963  3.137228
1  -3.327322   -3.541031  4.424476
1  -3.775041   -4.694734  3.144585
1  -1.259003   -5.026221  2.772751
1  -0.811958   -3.740016  3.911050
1  -0.254641   -3.661162  2.221427
17  -0.950621   1.464166  -2.250471
1  4.399571   0.534722  -0.459941
6  5.038963   0.374434  0.426683
6  4.713484   -0.983175  1.063347
1  5.085143   -1.787240  0.408811
1  5.307721   -1.082194  1.988809
1  4.772459   1.170988  1.145142
6  6.484670   0.476780  0.038110
6  7.452271   0.871678  0.967586
6  6.902677   0.116579  -1.247316
6  8.801116   0.909434  0.622801
1  7.136203   1.159712  1.977341
6  8.250470   0.152690  -1.596837
1  6.150601   -0.188339  -1.985384
6  9.204434   0.548833  -0.661504
1  9.543538   1.226646  1.361258
1  8.558619   -0.125719  -2.609117
1  10.263069   0.580889  -0.934951
120
J
6  -3.442830   -1.587657  -0.192061
6  -2.434183   -1.525557  0.789161
6  -3.539983   -2.750712  -0.964723
6  -1.536736   -2.587641  0.925529
6  -2.661414   -3.816506  -0.805268
1  -4.309430   -2.796711  -1.745154
6  -1.640288   -3.727248  0.137129
1  -2.762064   -4.707666  -1.433055
1  -0.923486   -4.543938  0.270769
6  -2.356632   -0.390585  1.742908
6  -3.480081   -0.124612  2.540180
7  -1.236533   0.350207  1.865262
6  -3.482167   0.943888  3.422148
1  -4.347198   -0.784470  2.454195
6  -1.259314   1.402799  2.698485
6  -2.346587   1.744732  3.487591
1  -4.357311   1.151612  4.044603
1  -0.351611   2.014093  2.724161
1  -2.291357   2.618628  4.140067
45  0.532760   0.278362  0.572372
6  1.903965   0.540208  -0.849486
7  2.181477   -0.277956  -1.911494
7  2.489169   1.730844  -1.195873
6  2.847933   0.410217  -2.916559
6  1.931053   -1.691114  -1.949246
6  3.041857   1.670654  -2.466849
6  2.771217   2.798363  -0.279242
1  3.117642   -0.068557  -3.855878
6  2.835948   -2.542937  -1.278181
6  0.843618   -2.178709  -2.691437
1  3.529899   2.532111  -2.918509
6  1.839296   3.829344  -0.084325
6  4.003509   2.753959  0.402202
6  2.554651   -3.910422  -1.281958
6  4.133954   -2.022491  -0.684117
6  0.613604   -3.558825  -2.666850
6  0.011182   -1.284500  -3.584455
6  2.140644   4.794350  0.882279
6  0.601539   3.965439  -0.940268
6  4.261054   3.749577  1.347618
6  5.058261   1.700999  0.115920
1  3.224752   -4.601834  -0.762641
6  1.443115   -4.412249  -1.953902
1  3.938590   -1.017070  -0.265810
6  4.710057   -2.879236  0.434565
6  5.189211   -1.865847  -1.780640
1  -0.234481   -3.967831  -3.225122
1  0.171813   -0.241563  -3.263108
6  -1.481968   -1.542508  -3.466592
6  0.473249   -1.433620  -5.033171
1  1.428967   5.606264  1.063257
6  3.329753   4.750243  1.600905
1  0.427344   3.003208  -1.449784
6  -0.654754   4.257428  -0.133821
6  0.835055   5.034210  -2.005781
1  5.207649   3.736229  1.898397
1  4.627374   0.961485  -0.580321
6  6.256847   2.331960  -0.588301
6  5.499837   0.931639  1.355388
1  1.239418   -5.487409  -1.940141
1  3.992433   -3.065118  1.248949
1  5.586809   -2.377802  0.875853
1  5.060818   -3.856650  0.061206
1  6.124279   -1.453040  -1.363277
1  4.861914   -1.197790  -2.591784
1  5.424734   -2.847540  -2.227886
1  -1.769318   -2.539233  -3.847870
1  -2.039652   -0.792528  -4.052311
1  -1.806138   -1.454919  -2.419034
1  1.547528   -1.216182  -5.157632
1  -0.088143   -0.751228  -5.692765
1  0.306415   -2.463074  -5.397155
1  3.541686   5.515189  2.353832
1  -0.820901   3.481391  0.631143
1  -1.535773   4.248376  -0.795439
1  -0.618998   5.245099  0.359441
1  0.998768   6.027469  -1.550511
1  -0.036578   5.111293  -2.676426
1  1.718907   4.806349  -2.625554
1  5.956084   2.862471  -1.506664
1  6.998106   1.563866  -0.866038
1  6.763183   3.063865  0.064696
1  5.970114   1.590259  2.105621
1  6.247428   0.168071  1.079081
1  4.656677   0.414442  1.843069
17  -1.036478   0.915173  -1.137141
1  -6.181763   -1.629105  -0.651050
6  -5.835650   -0.712856  -0.139662
6  -4.372232   -0.445822  -0.502875
1  -4.311116   -0.237461  -1.588538
1  -4.028624   0.485201  -0.021405
1  -5.914185   -0.924888  0.943009
1  -0.760056   -2.521885  1.685272
6  1.856707   -0.774680  1.930043
1  2.673047   -1.165287  1.311363
6  1.833134   0.609038  2.193101
1  2.668924   1.248808  1.891682
1  1.320203   0.976025  3.092748
6  -6.729389   0.438944  -0.496109
6  -6.824637   1.551034  0.347572
6  -7.441696   0.454010  -1.698856
6  -7.615552   2.643989  0.004319
1  -6.264609   1.553051  1.290912
6  -8.234601   1.545228  -2.047563
1  -7.373607   -0.409666  -2.370480
6  -8.324809   2.643653  -1.195882
1  -7.680785   3.503119  0.678750
1  -8.787951   1.536678  -2.991431
1  -8.948540   3.500547  -1.466603
6  1.244965   -1.810745  2.781771
6  1.408735   -3.164325  2.440565
6  0.489925   -1.517945  3.929177
6  0.840931   -4.179812  3.203841
1  1.956530   -3.415371  1.524954
6  -0.091804   -2.530969  4.684695
1  0.349512   -0.477017  4.236570
6  0.080168   -3.868846  4.329183
1  0.983147   -5.224120  2.908736
1  -0.681258   -2.272654  5.569874
1  -0.374616   -4.663038  4.927958
104
TSK
6  -3.297569   -1.004593  -1.188722
6  -2.265455   -0.857067  -0.224208
6  -2.948100   -1.086084  -2.539981
6  -0.908451   -0.726396  -0.653200
6  -1.622241   -1.027501  -2.955844
1  -3.745185   -1.196775  -3.282366
6  -0.615075   -0.855950  -2.018302
1  0.210490   -1.556012  0.256035
1  -1.375816   -1.108965  -4.019807
1  0.424497   -0.802800  -2.356084
6  -2.449618   -0.767539  1.236735
6  -3.593001   -1.112719  1.972707
7  -1.351813   -0.334863  1.906068
6  -3.599249   -0.986965  3.355692
1  -4.480039   -1.496907  1.474628
6  -1.356830   -0.202163  3.234912
6  -2.466979   -0.512064  4.008047
1  -4.494615   -1.264959  3.919783
1  -0.426621   0.184955  3.667006
1  -2.433006   -0.389112  5.092431
45  0.382217   -0.078290  0.742842
6  1.965908   0.058203  -0.467238
7  2.414042   1.141038  -1.173546
7  2.763524   -0.971974  -0.887361
6  3.421307   0.771683  -2.056218
6  2.145305   2.526990  -0.873787
6  3.651117   -0.548055  -1.869562
6  2.841192   -2.259055  -0.253187
1  3.883933   1.496362  -2.723146
6  0.996789   3.153595  -1.377971
6  3.087732   3.212105  -0.080131
1  4.362819   -1.230499  -2.330308
6  3.378455   -2.322495  1.051213
6  2.425680   -3.406806  -0.948065
6  0.802380   4.503963  -1.072932
6  -0.006951   2.434433  -2.246039
6  2.850510   4.561161  0.185723
6  4.338909   2.554583  0.468880
6  3.457066   -3.577796  1.655534
6  3.942605   -1.105536  1.755734
6  2.537434   -4.640257  -0.296869
6  1.888397   -3.371740  -2.363062
1  -0.088854   5.013288  -1.453912
6  1.718678   5.203971  -0.301317
1  0.266412   1.369502  -2.253750
6  -1.420188   2.524165  -1.683234
6  0.056373   2.926078  -3.687809
1  3.564003   5.117522  0.801368
1  4.208479   1.461220  0.394365
6  4.575587   2.869157  1.941405
6  5.565092   2.935742  -0.357764
1  3.864493   -3.658505  2.667251
6  3.038630   -4.727078  0.993257
1  3.397504   -0.213978  1.404198
6  3.748460   -1.123431  3.263680
6  5.416914   -0.938036  1.391262
1  2.218560   -5.549841  -0.816094
1  1.771316   -2.314471  -2.656090
6  2.874319   -4.010946  -3.337256
6  0.516719   -4.029778  -2.466848
1  1.549096   6.260190  -0.072619
1  -1.452629   2.167315  -0.638905
1  -2.109731   1.898013  -2.276390
1  -1.806977   3.557808  -1.704553
1  -0.632930   2.345613  -4.325064
1  1.072867   2.824311  -4.104760
1  -0.230094   3.989513  -3.766983
1  4.838765   3.929215  2.099801
1  5.422455   2.273498  2.324346
1  3.682803   2.634070  2.541021
1  5.447654   2.686841  -1.424803
1  6.463858   2.414012  0.013698
1  5.758275   4.021029  -0.292820
1  3.111347   -5.699944  1.488084
1  2.690247   -1.285707  3.525623
1  4.042733   -0.148186  3.684304
1  4.360730   -1.895686  3.761880
1  6.009042   -1.803386  1.738827
1  5.834548   -0.031623  1.862725
1  5.565857   -0.848397  0.301163
1  3.863714   -3.525296  -3.301760
1  2.501069   -3.946431  -4.372777
1  3.027033   -5.079084  -3.105525
1  0.572416   -5.115943  -2.280789
1  0.096385   -3.892158  -3.477300
1  -0.197149   -3.596603  -1.746847
17  1.309163   1.466506  2.309563
1  -4.679519   0.757857  0.439765
6  -5.258479   0.421777  -0.438226
6  -4.775866   -0.960304  -0.896772
1  -5.095617   -1.732754  -0.177375
1  -5.317962   -1.219074  -1.822991
1  -5.034634   1.144708  -1.244443
6  -6.724486   0.431457  -0.116377
6  -7.677670   0.469904  -1.140202
6  -7.172073   0.347885  1.206044
6  -9.038906   0.426479  -0.852782
1  -7.340229   0.542924  -2.181040
6  -8.533887   0.304539  1.498993
1  -6.435430   0.328431  2.018400
6  -9.471623   0.342179  0.469839
1  -9.769249   0.463187  -1.666632
1  -8.865168   0.245744  2.540116
1  -10.540933   0.310833  0.698003
104
L
6  3.312262   0.992517  -1.126158
6  2.277231   0.771307  -0.176834
6  2.967533   1.136959  -2.473105
6  0.924605   0.645613  -0.616624
6  1.645885   1.066618  -2.898907
1  3.765381   1.304638  -3.204087
6  0.638138   0.827388  -1.975308
1  -0.429134   1.553317  0.598101
1  1.402824   1.195646  -3.959121
1  -0.395519   0.764955  -2.329765
6  2.456751   0.607659  1.278845
6  3.609916   0.868732  2.034879
7  1.343350   0.180084  1.927352
6  3.607361   0.672134  3.409660
1  4.513926   1.242052  1.560889
6  1.338921   -0.020204  3.247517
6  2.456915   0.208621  4.037263
1  4.512097   0.885813  3.986768
1  0.393518   -0.394593  3.657675
1  2.415375   0.031615  5.113823
45  -0.394487   0.028465  0.751839
6  -1.960538   -0.013946  -0.482930
7  -2.425222   -1.067622  -1.223110
7  -2.715533   1.050441  -0.894691
6  -3.399777   -0.645250  -2.119156
6  -2.221072   -2.470260  -0.942690
6  -3.592325   0.676353  -1.906266
6  -2.778802   2.323509  -0.229207
1  -3.870164   -1.339055  -2.812802
6  -1.082739   -3.137467  -1.418436
6  -3.219460   -3.131770  -0.197782
1  -4.273281   1.390428  -2.365322
6  -3.365005   2.368614  1.055018
6  -2.299961   3.476247  -0.873658
6  -0.958957   -4.501692  -1.138016
6  -0.002143   -2.447690  -2.214760
6  -3.051270   -4.495427  0.044079
6  -4.457939   -2.434834  0.330838
6  -3.436294   3.609940  1.688522
6  -3.980061   1.149358  1.711171
6  -2.407108   4.695148  -0.194676
6  -1.692175   3.463756  -2.259824
1  -0.075818   -5.040263  -1.496999
6  -1.932379   -5.178006  -0.417822
1  -0.251333   -1.377789  -2.254990
6  1.357567   -2.564851  -1.534619
6  0.046677   -2.951219  -3.652587
1  -3.810189   -5.032184  0.621603
1  -4.285310   -1.346650  0.273584
6  -4.735391   -2.759477  1.794456
6  -5.679226   -2.758210  -0.526828
1  -3.881687   3.675784  2.685143
6  -2.961980   4.763846  1.074176
1  -3.445367   0.252835  1.355198
6  -3.832557   1.128485  3.224598
6  -5.446146   1.027619  1.298688
1  -2.039830   5.607912  -0.674702
1  -1.597091   2.412381  -2.579754
6  -2.599620   4.171276  -3.262590
6  -0.293466   4.071651  -2.268086
1  -1.817753   -6.245559  -0.208631
1  1.312723   -2.211319  -0.489027
1  2.108845   -1.954212  -2.065254
1  1.720267   -3.607413  -1.524201
1  0.793801   -2.383429  -4.233363
1  -0.929750   -2.840190  -4.153728
1  0.326398   -4.018076  -3.702447
1  -5.040710   -3.810985  1.932694
1  -5.567715   -2.137815  2.168375
1  -3.846092   -2.565532  2.414730
1  -5.530652   -2.496229  -1.586983
1  -6.566063   -2.210008  -0.165027
1  -5.913850   -3.836373  -0.484362
1  -3.030346   5.725658  1.590740
1  -2.779716   1.258801  3.522904
1  -4.162796   0.152142  3.614376
1  -4.441615   1.904038  3.721418
1  -6.026622   1.899728  1.648853
1  -5.900162   0.121521  1.736046
1  -5.563979   0.966804  0.202789
1  -3.608423   3.727238  -3.292923
1  -2.175423   4.119965  -4.279029
1  -2.720456   5.238265  -3.007856
1  -0.318771   5.150378  -2.037248
1  0.170571   3.961383  -3.262569
1  0.366791   3.579607  -1.534617
17  -1.424178   -1.513199  2.291849
1  4.735746   -0.854354  0.357889
6  5.310431   -0.430811  -0.484525
6  4.790716   0.970283  -0.832487
1  5.086062   1.693090  -0.053689
1  5.326470   1.316663  -1.733448
1  5.109471   -1.090121  -1.349262
6  6.775022   -0.431013  -0.155706
6  7.730940   -0.334412  -1.173396
6  7.218253   -0.476929  1.170000
6  9.089869   -0.284529  -0.876973
1  7.397584   -0.306103  -2.217711
6  8.578016   -0.427422  1.471991
1  6.480679   -0.565484  1.976796
6  9.518081   -0.329406  0.449119
1  9.822169   -0.214756  -1.686897
1  8.905772   -0.470769  2.514987
1  10.585730   -0.293101  0.684208
120
M
6  -0.638642   -1.018485  -0.118668
6  -1.956729   -0.482083  -0.252835
6  -0.449375   -2.204610  0.595828
6  -3.066403   -1.207452  0.279031
6  -1.527062   -2.885447  1.139500
1  0.559499   -2.620616  0.692509
6  -2.818322   -2.397177  0.966259
1  -1.372058   -3.824924  1.681905
1  -3.650079   -2.969029  1.381822
6  -2.034466   0.817713  -0.959942
6  -3.177838   1.591839  -1.235451
7  -0.835158   1.292215  -1.381314
6  -3.067137   2.789706  -1.931751
1  -4.165605   1.277520  -0.917473
6  -0.727850   2.428238  -2.064239
6  -1.822829   3.226548  -2.366859
1  -3.968156   3.375419  -2.136442
1  0.291232   2.677495  -2.387806
1  -1.691529   4.157090  -2.923759
45  0.848517   -0.083111  -1.082395
6  1.804382   0.725397  0.554194
7  2.892471   0.177920  1.186798
7  1.771002   2.005873  1.028994
6  3.545846   1.117144  1.970358
6  3.373514   -1.177248  1.145697
6  2.838452   2.261153  1.878629
6  0.771954   3.016422  0.821823
1  4.450898   0.868963  2.520537
6  2.866441   -2.099587  2.084103
6  4.398511   -1.505782  0.241632
1  2.968985   3.232651  2.349334
6  1.109717   4.158752  0.075567
6  -0.465649   2.874718  1.484212
6  3.386326   -3.396617  2.057242
6  1.850839   -1.705286  3.140160
6  4.884583   -2.817217  0.262188
6  5.013384   -0.485881  -0.690840
6  0.154864   5.179073  -0.005197
6  2.463926   4.346980  -0.581820
6  -1.382114   3.920337  1.358614
6  -0.776810   1.660315  2.341051
1  3.011082   -4.142035  2.763703
6  4.380061   -3.755397  1.152850
1  1.176022   -0.948602  2.693577
6  0.994108   -2.867977  3.624625
6  2.547552   -1.078568  4.349860
1  5.680790   -3.101543  -0.433356
1  4.343951   0.389412  -0.741026
6  5.143025   -0.996280  -2.118836
6  6.366660   -0.029416  -0.151145
1  0.386838   6.084026  -0.576045
6  -1.075801   5.062010  0.623363
1  2.969813   3.365367  -0.609790
6  2.362122   4.813505  -2.029062
6  3.314200   5.333240  0.217551
1  -2.356532   3.846342  1.848765
1  -0.393939   0.771979  1.805755
6  -0.068692   1.735794  3.693555
6  -2.263933   1.432531  2.566146
1  4.772871   -4.776761  1.152711
1  0.607029   -3.480947  2.797275
1  0.129177   -2.487906  4.193253
1  1.559528   -3.531336  4.302274
1  1.815751   -0.844624  5.141131
1  3.079170   -0.147033  4.104879
1  3.281605   -1.786512  4.773383
1  5.887606   -1.806637  -2.211548
1  5.455549   -0.174834  -2.782758
1  4.175074   -1.359946  -2.498716
1  6.284699   0.397956  0.862322
1  6.804772   0.741464  -0.806217
1  7.080867   -0.870391  -0.098010
1  -1.808588   5.870909  0.545863
1  1.788053   4.105211  -2.644942
1  3.369740   4.870310  -2.472044
1  1.910635   5.817318  -2.115150
1  2.851250   6.335818  0.226461
1  4.316329   5.434319  -0.230659
1  3.447087   5.028798  1.268352
1  1.029069   1.765006  3.602756
1  -0.327402   0.855870  4.307553
1  -0.387365   2.636153  4.248269
1  -2.695184   2.180045  3.255593
1  -2.422777   0.438845  3.018018
1  -2.835511   1.464903  1.624495
17  2.500013   1.286457  -2.394335
1  1.923413   -1.151333  -0.753881
6  0.973441   -1.703197  -2.713401
6  0.038100   -0.755746  -3.076053
1  -1.035245   -0.957628  -2.985504
1  0.334006   0.080083  -3.716655
1  2.008435   -1.532882  -3.037590
6  0.685700   -3.074406  -2.243695
6  1.723951   -3.840846  -1.696262
6  -0.589101   -3.645618  -2.330111
6  1.490743   -5.127034  -1.223094
1  2.726007   -3.401230  -1.615023
6  -0.824220   -4.935233  -1.862439
1  -1.413026   -3.071159  -2.765125
6  0.211908   -5.679160  -1.301717
1  2.314324   -5.702874  -0.789694
1  -1.828854   -5.362461  -1.935159
1  0.025406   -6.692107  -0.932728
6  -4.501537   -0.760271  0.136871
1  -4.638170   0.222125  0.630122
1  -4.729512   -0.582178  -0.931120
6  -5.585571   -1.686152  0.682157
1  -5.516761   -2.675333  0.195003
1  -5.432008   -1.853400  1.763029
6  -6.951833   -1.103208  0.458217
6  -7.652258   -1.349118  -0.727278
6  -7.528987   -0.253625  1.407746
6  -8.896962   -0.767562  -0.956473
1  -7.211301   -2.014166  -1.479377
6  -8.773251   0.330522  1.183648
1  -6.990543   -0.054042  2.341960
6  -9.461627   0.074835  -0.000677
1  -9.432370   -0.976440  -1.887487
1  -9.211012   0.987576  1.941134
1  -10.440632   0.529573  -0.177519
120
TSN
6  -0.578194   -1.153215  -0.358321
6  -1.934188   -0.760987  -0.559469
6  -0.301329   -2.329244  0.341663
6  -2.990134   -1.564223  -0.037368
6  -1.330199   -3.117100  0.835353
1  0.738418   -2.642942  0.483582
6  -2.655662   -2.733002  0.649237
1  -1.105032   -4.046171  1.370871
1  -3.444104   -3.369569  1.055961
6  -2.088323   0.506149  -1.296438
6  -3.269739   1.077583  -1.799334
7  -0.913212   1.153573  -1.526592
6  -3.233268   2.290428  -2.476113
1  -4.223907   0.571498  -1.693243
6  -0.874586   2.307229  -2.193554
6  -2.017281   2.932105  -2.673122
1  -4.162257   2.721176  -2.860672
1  0.131153   2.709984  -2.361728
1  -1.938879   3.884186  -3.202806
45  0.830750   0.012382  -1.156205
6  1.581134   0.843105  0.648159
7  2.691310   0.429369  1.338481
7  1.320936   2.072879  1.185525
6  3.124404   1.396331  2.236684
6  3.424272   -0.803587  1.236348
6  2.260027   2.426717  2.144033
6  0.219493   2.947448  0.896613
1  4.002855   1.243442  2.860142
6  3.038104   -1.892109  2.046079
6  4.590066   -0.828457  0.449774
1  2.199459   3.369804  2.682200
6  0.471476   4.143003  0.200174
6  -1.052689   2.617532  1.409693
6  3.847292   -3.031247  2.025776
6  1.839278   -1.826232  2.973254
6  5.365991   -1.993110  0.473264
6  5.056115   0.363903  -0.356406
6  -0.604249   5.018447  0.012559
6  1.850627   4.536221  -0.295400
6  -2.090739   3.521762  1.176216
6  -1.284558   1.352306  2.218199
1  3.575178   -3.895645  2.637581
6  5.001722   -3.082568  1.252007
1  1.070224   -1.199078  2.482909
6  1.221714   -3.190503  3.254091
6  2.214481   -1.170342  4.302900
1  6.280209   -2.036298  -0.127264
1  4.213362   1.069348  -0.453666
6  5.455207   -0.016300  -1.775878
6  6.207165   1.073409  0.352476
1  -0.440058   5.959154  -0.522567
6  -1.870408   4.710881  0.486977
1  2.479275   3.627846  -0.310523
6  1.843548   5.072559  -1.721862
6  2.477229   5.574052  0.634903
1  -3.095116   3.300121  1.545515
1  -0.769946   0.527812  1.690386
6  -0.689367   1.463100  3.621970
6  -2.750614   0.962404  2.332153
1  5.624678   -3.982298  1.261335
1  1.079706   -3.787191  2.338302
1  0.237446   -3.068240  3.734838
1  1.846138   -3.782115  3.946146
1  1.347447   -1.155011  4.984438
1  2.560126   -0.132132  4.184367
1  3.020080   -1.741487  4.797229
1  6.384750   -0.611945  -1.805269
1  5.618445   0.892714  -2.375961
1  4.657206   -0.587998  -2.276101
1  5.926318   1.418118  1.361312
1  6.529618   1.955899  -0.224243
1  7.081255   0.406878  0.461447
1  -2.699713   5.405867  0.324211
1  1.412789   4.348048  -2.428717
1  2.878493   5.256952  -2.052826
1  1.299274   6.029321  -1.807027
1  1.884054   6.505649  0.638627
1  3.496262   5.830277  0.301049
1  2.544440   5.228211  1.678672
1  0.401688   1.612827  3.618292
1  -0.893576   0.543391  4.196182
1  -1.145178   2.307209  4.169412
1  -3.306229   1.646737  2.998164
1  -2.835340   -0.052315  2.756493
1  -3.254771   0.956299  1.352895
17  2.419998   1.628299  -2.264426
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6  1.655414   -1.620794  -2.483179
6  0.577005   -0.889389  -3.061846
1  0.813514   -0.126358  -3.811297
1  -0.406868   -1.364185  -3.162091
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6  -4.449239   -1.200330  -0.162531
1  -4.770730   -1.272222  -1.220802
1  -4.587663   -0.136394  0.103920
6  -5.440875   -1.999413  0.678810
1  -5.439976   -3.060512  0.373154
1  -5.128200   -1.974037  1.738977
6  1.559153   -3.065768  -2.108988
6  2.618740   -3.659820  -1.412652
6  0.445377   -3.849314  -2.422136
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1  3.497864   -3.053637  -1.158597
6  0.379680   -5.182853  -2.024970
1  -0.391355   -3.410687  -2.973001
6  1.428573   -5.755865  -1.310381
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1  1.373895   -6.801985  -0.994935
6  -6.828736   -1.440588  0.547813
6  -7.704190   -1.909687  -0.436414
6  -7.253422   -0.393307  1.372572
6  -8.971796   -1.352445  -0.590443
1  -7.383816   -2.730729  -1.088735
6  -8.519592   0.166561  1.223448
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6  -9.383446   -0.312158  0.239968
1  -9.644930   -1.736018  -1.363016
1  -8.836427   0.980779  1.882052
1  -10.379720   0.123992  0.122907
120
O
6  -0.971976   -0.183002  -0.378664
6  -2.304549   0.060847  0.071378
6  -0.755584   -0.398125  -1.742819
6  -3.388497   0.061449  -0.853054
6  -1.808203   -0.386589  -2.646004
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6  -2.402929   0.379850  1.508660
6  -3.562536   0.488265  2.294274
7  -1.197301   0.576252  2.112665
6  -3.475072   0.853498  3.632277
1  -4.541107   0.270472  1.879213
6  -1.112639   0.939064  3.395125
6  -2.232767   1.110689  4.197320
1  -4.388210   0.933492  4.229204
1  -0.090869   1.053324  3.779035
1  -2.120064   1.412922  5.240354
45  0.463335   -0.105971  1.011790
6  1.950143   -1.148029  0.108561
7  3.284322   -0.910735  -0.079632
7  1.828190   -2.505898  -0.052295
6  3.978066   -2.097888  -0.271427
6  3.889625   0.377456  -0.297611
6  3.069871   -3.097200  -0.242852
6  0.590735   -3.203978  -0.287091
1  5.055925   -2.108996  -0.418125
6  3.644635   1.008679  -1.535689
6  4.710542   0.949491  0.688703
1  3.179762   -4.174221  -0.347000
6  -0.321904   -3.392996  0.768218
6  0.317993   -3.630658  -1.601698
6  4.153505   2.294356  -1.722343
6  2.936990   0.296104  -2.672369
6  5.207724   2.234306  0.442552
6  5.131011   0.204521  1.937091
6  -1.533045   -4.020740  0.473966
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6  -0.904000   -4.269412  -1.835842
6  1.290511   -3.454660  -2.755854
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6  3.953965   -0.491707  -3.498375
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1  4.192774   1.612008  3.305580
1  6.534292   -1.106526  0.856451
1  6.812468   -1.003479  2.613066
1  7.271501   0.350623  1.550070
1  -2.781405   -4.940849  -1.023485
1  -1.977410   -2.148197  2.637579
1  -0.878550   -2.315597  4.030950
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1  1.322319   -3.483997  3.814811
1  1.969713   -3.924640  2.221860
1  2.498562   -5.204870  -2.195861
1  2.747320   -4.635245  -3.867028
1  1.266428   -5.523912  -3.431252
1  -0.092466   -3.603355  -4.451461
1  1.409830   -2.729267  -4.792553
1  0.125371   -1.948521  -3.834626
17  1.952915   -0.034723  3.011896
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6  -4.818529   0.329829  -0.452585
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6  -7.212683   0.749843  -1.012631
6  -8.076229   -0.289371  -0.651194
6  -7.625021   2.066980  -0.785508
6  -9.319644   -0.022094  -0.083168
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1  0.650344   5.413697  -3.463311
1  2.445955   6.804123  -2.435454
120
TSP
6 -0.830761 0.376243 -0.733993
6 -2.101518 0.921060 -0.382488
6 -0.724236 -0.342994 -1.929893
6 -3.251328 0.622238 -1.158194
6 -1.832154 -0.572887 -2.727241
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6 -3.088237 -0.115445 -2.332418
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1 -3.956740 -0.354654 -2.950478
6 -2.100364 1.731835 0.843038
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7 -1.033829 1.506516 1.645985
6 -2.817296 3.484167 2.342433
1 -3.835243 2.989945 0.516232
6 -0.859457 2.196498 2.774654
6 -1.733435 3.200625 3.168678
1 -3.516722 4.285102 2.598195
1 0.012520 1.910519 3.372579
1 -1.556320 3.750720 4.094995
45 0.355613 0.146510 0.890230
6 1.664709 -1.309559 0.356529
7 3.001776 -1.286546 0.650083
7 1.401332 -2.634229 0.116471
6 3.529238 -2.569828 0.690408
6 3.803885 -0.096183 0.743196
6 2.524936 -3.413507 0.363901
6 0.262609 -3.171509 -0.586553
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6 4.144011 0.567710 -0.457845
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6 3.771539 0.009401 -1.818468
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6 -4.644913 0.980716 -0.700368
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1 0.383873 3.602095 -3.474971
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1 -10.373950 1.200544 1.374160
120
Q
6  0.291629   2.867931  0.279922
6  1.370181   2.222970  -0.374884
6  0.530796   3.493901  1.507045
6  2.674406   2.272514  0.162957
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45  -1.044597   0.424963  0.203416
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7  -0.132902   -1.916024  1.713937
7  -1.870043   -2.468084  0.550375
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6  1.132126   -1.329219  2.049926
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6  -2.739610   -2.593039  -0.587438
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6  7.685459   0.922350  -2.643607
1  6.327204   2.547442  -2.230122
6  8.208181   -0.292639  -2.202723
1  8.182393   -1.777388  -0.634759
1  8.031283   1.357473  -3.586068
1  8.961881   -0.816382  -2.797714
37
Mono-alkyl product
6  1.902359   1.984823  0.985916
6  1.628921   1.126023  -0.090129
6  0.368952   2.743742  -1.121173
6  0.580853   3.664277  -0.096325
6  1.366970   3.267223  0.981408
1  2.510826   1.631930  1.823587
1  -0.244299   3.021174  -1.989494
1  0.138776   4.662585  -0.144203
1  1.557269   3.949104  1.815487
6  2.193845   -0.249053  -0.107653
6  1.402248   -1.387338  -0.377243
6  3.557004   -0.409501  0.166229
6  2.019667   -2.640908  -0.361459
6  4.154922   -1.666150  0.167176
1  4.165982   0.480595  0.358067
6  3.379461   -2.789308  -0.099366
1  1.407185   -3.527112  -0.561912
1  5.225028   -1.764124  0.370369
1  3.831178   -3.785583  -0.102988
7  0.870420   1.513929  -1.120986
6  -0.081359   -1.291527  -0.596800
1  -0.300039   -0.522956  -1.355271
1  -0.460464   -2.250151  -0.993210
6  -0.846013   -0.949647  0.688297
1  -0.401564   -0.047927  1.148573
1  -0.711566   -1.767202  1.419879
6  -2.304110   -0.706542  0.433456
6  -2.752119   0.569487  0.073886
6  -3.234631   -1.748201  0.491289
6  -4.094417   0.800067  -0.214328
1  -2.026789   1.391748  0.025203
6  -4.579101   -1.522263  0.203812
1  -2.895274   -2.752262  0.772261
6  -5.013093   -0.246479  -0.149853
1  -4.428155   1.805432  -0.488530
1  -5.294370   -2.348466  0.259313
1  -6.068814   -0.066639  -0.373062
104
E'
6  -0.442739   -1.779330  0.531671
6  -1.639105   -1.557480  1.262205
6  0.334614   -2.897437  0.866781
6  -1.996256   -2.417774  2.310998
6  -0.050256   -3.766042  1.886863
1  1.261495   -3.098384  0.315930
6  -1.210423   -3.519697  2.624773
1  -2.915240   -2.241143  2.880613
1  0.573064   -4.635892  2.122199
1  -1.504750   -4.190724  3.436724
6  -2.508768   -0.461125  0.814559
6  -3.775860   -0.174501  1.343368
7  -2.031006   0.272273  -0.213677
6  -4.523282   0.863666  0.807404
1  -4.177818   -0.777457  2.160997
6  -2.755045   1.256029  -0.745223
6  -4.011103   1.598147  -0.261180
1  -5.512563   1.092160  1.214615
1  -2.291374   1.772720  -1.596302
1  -4.570299   2.419133  -0.715510
45  -0.121102   -0.523485  -0.988491
6  1.179087   0.746372  -0.007034
7  2.534614   0.565722  0.055421
7  1.010287   2.050155  0.372955
6  3.188907   1.737645  0.398522
6  3.228641   -0.690932  0.047004
6  2.233189   2.668354  0.599089
6  -0.205939   2.753205  0.684016
1  4.272422   1.782882  0.484979
6  3.419309   -1.333572  1.283804
6  3.715767   -1.206052  -1.165640
1  2.292029   3.711316  0.902161
6  -0.625538   3.796561  -0.158997
6  -0.850074   2.460408  1.906897
6  4.083596   -2.563796  1.273227
6  3.033242   -0.685063  2.600227
6  4.367959   -2.440929  -1.120200
6  3.595952   -0.429650  -2.458714
6  -1.754307   4.527866  0.229756
6  0.127858   4.205952  -1.408115
6  -1.979087   3.213296  2.234230
6  -0.296408   1.439410  2.886598
1  4.249059   -3.093834  2.217053
6  4.540908   -3.118018  0.083452
1  2.369982   0.168515  2.380786
6  2.266290   -1.593413  3.551148
6  4.283386   -0.127642  3.280026
1  4.752926   -2.877830  -2.046647
1  2.731183   0.252656  -2.374168
6  3.340160   -1.316429  -3.668554
6  4.847802   0.418718  -2.672986
1  -2.103001   5.347439  -0.406631
6  -2.429907   4.235876  1.404564
1  0.834705   3.396928  -1.658292
6  -0.781724   4.373403  -2.618730
6  0.906908   5.496292  -1.158096
1  -2.513680   3.005673  3.165079
1  0.092230   0.582293  2.303225
6  0.859330   2.043244  3.687771
6  -1.327478   0.888309  3.861197
1  5.053186   -4.084676  0.094587
1  1.298479   -1.904802  3.128086
1  2.067752   -1.061786  4.497677
1  2.833906   -2.503967  3.810668
1  4.017731   0.430710  4.193680
1  4.845007   0.551901  2.618141
1  4.968966   -0.942140  3.572827
1  4.234846   -1.894995  -3.959736
1  3.052717   -0.697735  -4.533704
1  2.522679   -2.031836  -3.481745
1  5.014687   1.126209  -1.844017
1  4.763778   1.006378  -3.601865
1  5.746653   -0.218468  -2.753827
1  -3.312418   4.817293  1.688388
1  -1.338716   3.448359  -2.830943
1  -0.174736   4.588733  -3.513180
1  -1.492127   5.209714  -2.496262
1  0.223835   6.335535  -0.937489
1  1.495236   5.772293  -2.048640
1  1.604303   5.414701  -0.308212
1  1.694541   2.382294  3.055165
1  1.260287   1.303125  4.401846
1  0.504809   2.911625  4.270561
1  -1.632513   1.645089  4.605175
1  -0.896753   0.041446  4.420431
1  -2.234028   0.525058  3.352626
17  0.167437   1.069013  -2.899532
1  1.225191   -1.205023  -1.314454
6  -0.323870   -2.133129  -2.516449
6  -1.607571   -1.631419  -2.396537
1  -1.860620   -0.777357  -3.039087
1  0.313419   -1.750990  -3.318412
1  -0.052065   -3.111830  -2.104017
6  -2.761287   -2.302684  -1.781578
6  -4.030375   -1.724063  -1.933063
6  -2.666268   -3.504848  -1.063938
6  -5.161218   -2.306517  -1.369603
1  -4.121633   -0.793461  -2.504444
6  -3.793931   -4.086330  -0.496329
1  -1.692219   -3.984558  -0.929611
6  -5.046129   -3.487983  -0.640026
1  -6.139040   -1.832405  -1.499149
1  -3.691813   -5.016770  0.070603
1  -5.931544   -3.948958  -0.192161
104
TSF'
6  -1.036627   -1.528098  0.627849
6  -2.325863   -1.073891  1.009814
6  -0.540010   -2.676133  1.253151
6  -3.067350   -1.766458  1.975597
6  -1.282439   -3.354789  2.219629
1  0.448396   -3.058886  0.969426
6  -2.550999   -2.902575  2.584967
1  -4.065969   -1.416596  2.258817
1  -0.869133   -4.253387  2.691500
1  -3.135703   -3.438136  3.338000
6  -2.833166   0.116694  0.328455
6  -4.109463   0.667592  0.507865
7  -1.968730   0.681375  -0.544929
6  -4.482782   1.783193  -0.225460
1  -4.809852   0.203734  1.206285
6  -2.331535   1.746758  -1.262954
6  -3.581236   2.337212  -1.133692
1  -5.479257   2.215750  -0.097003
1  -1.576585   2.109068  -1.971519
1  -3.836393   3.211390  -1.736864
45  -0.177003   -0.482483  -0.844386
6  1.218970   0.564962  0.333891
7  2.525986   0.188187  0.506715
7  1.198126   1.852709  0.785560
6  3.295177   1.232339  0.998783
6  3.104151   -1.091399  0.202210
6  2.460278   2.276039  1.180489
6  0.067810   2.729372  0.918646
1  4.362726   1.123657  1.176814
6  3.066262   -2.105799  1.181518
6  3.722509   -1.268187  -1.049303
1  2.628078   3.275597  1.574857
6  -0.036157   3.832039  0.052289
6  -0.832002   2.508931  1.982804
6  3.604503   -3.348841  0.837019
6  2.523822   -1.857210  2.577516
6  4.244794   -2.533036  -1.338307
6  3.898850   -0.130685  -2.032553
6  -1.095756   4.721321  0.264559
6  0.974873   4.125434  -1.039296
6  -1.872574   3.426497  2.141348
6  -0.657296   1.351921  2.951670
1  3.583486   -4.167033  1.561391
6  4.173022   -3.566012  -0.413962
1  1.616920   -1.229061  2.474823
6  2.134284   -3.127644  3.321208
6  3.544485   -1.099423  3.429730
1  4.720862   -2.706189  -2.308057
1  3.138224   0.638590  -1.811477
6  3.681663   -0.541913  -3.481414
6  5.287970   0.484106  -1.864877
1  -1.203391   5.590078  -0.392633
6  -2.005712   4.520738  1.291419
1  1.570312   3.210818  -1.205573
6  0.328161   4.467089  -2.375945
6  1.904045   5.261294  -0.613350
1  -2.596518   3.288451  2.948272
1  -0.410590   0.455079  2.352502
6  0.495693   1.606470  3.923491
6  -1.911641   1.025142  3.748174
1  4.580416   -4.550533  -0.662072
1  1.503611   -3.800324  2.721066
1  1.571572   -2.870834  4.233401
1  3.025650   -3.695236  3.641295
1  3.171852   -0.977621  4.460304
1  3.770441   -0.095501  3.041663
1  4.491103   -1.665508  3.482225
1  4.475891   -1.214257  -3.850916
1  3.680322   0.352270  -4.124732
1  2.705494   -1.031053  -3.620331
1  5.464876   0.851917  -0.841013
1  5.421565   1.333841  -2.554493
1  6.075287   -0.257688  -2.088697
1  -2.828121   5.227039  1.439919
1  -0.330491   3.658492  -2.725760
1  1.108362   4.593074  -3.144207
1  -0.243639   5.410581  -2.334838
1  1.339506   6.200438  -0.476291
1  2.671774   5.444754  -1.383045
1  2.423827   5.054880  0.335996
1  1.470901   1.707463  3.421135
1  0.579077   0.773793  4.642037
1  0.315569   2.529715  4.502359
1  -2.137677   1.806965  4.495006
1  -1.767402   0.080322  4.297235
1  -2.797072   0.899846  3.104290
17  0.661052   0.985501  -2.702473
1  0.987032   -1.555726  -1.028731
6  0.078725   -2.221506  -2.156655
6  -1.199748   -1.652405  -2.394885
1  0.151484   -3.206845  -1.675887
1  0.863537   -2.037504  -2.900612
1  -1.256275   -0.918924  -3.210663
6  -2.489611   -2.260640  -2.032501
6  -3.669025   -1.564833  -2.342012
6  -2.613169   -3.497491  -1.380040
6  -4.918219   -2.064951  -1.987305
1  -3.592537   -0.604428  -2.865664
6  -3.859902   -3.998603  -1.024201
1  -1.717779   -4.077279  -1.136851
6  -5.020713   -3.282602  -1.317817
1  -5.819906   -1.495982  -2.235490
1  -3.925996   -4.961496  -0.508223
1  -6.000590   -3.679357  -1.036377
104
G'
6  -1.709116   0.410929  0.662989
6  -3.081722   0.200220  0.366219
6  -1.412597   1.209850  1.772404
6  -4.087381   0.800560  1.134536
6  -2.416480   1.797264  2.539307
1  -0.366132   1.366429  2.056107
6  -3.760747   1.602860  2.219530
1  -5.141785   0.631530  0.892442
1  -2.150325   2.419919  3.401473
1  -4.547834   2.066935  2.820150
6  -3.372417   -0.709253  -0.737910
6  -4.652822   -1.055117  -1.187053
7  -2.278609   -1.240519  -1.335059
6  -4.792359   -1.947145  -2.238880
1  -5.532305   -0.624103  -0.704509
6  -2.410870   -2.086253  -2.362600
6  -3.652403   -2.475913  -2.844170
1  -5.789165   -2.226245  -2.592376
1  -1.470776   -2.429006  -2.811668
1  -3.718530   -3.172573  -3.682334
45  -0.451904   -0.473681  -0.611614
6  1.256204   0.596084  -0.264276
7  2.570067   0.226000  -0.167548
7  1.319574   1.918390  -0.636320
6  3.415044   1.261789  -0.543781
6  3.093022   -0.994051  0.380555
6  2.630733   2.316217  -0.850902
6  0.238746   2.869260  -0.579730
1  4.496097   1.141120  -0.545075
6  2.962804   -1.202422  1.770687
6  3.788385   -1.888549  -0.451926
1  2.873961   3.319521  -1.192295
6  -0.689051   2.943041  -1.630576
6  0.163040   3.707247  0.553355
6  3.495946   -2.377087  2.303264
6  2.353886   -0.153189  2.682271
6  4.318915   -3.040434  0.140500
6  4.011824   -1.643652  -1.929911
6  -1.757316   3.834402  -1.491215
6  -0.506248   2.173381  -2.918026
6  -0.909129   4.597703  0.628273
6  1.226761   3.713739  1.638172
1  3.400560   -2.577023  3.374032
6  4.164509   -3.291857  1.495620
1  1.532971   0.338039  2.129129
6  1.756167   -0.715384  3.963948
6  3.393721   0.916882  3.017928
1  4.858767   -3.759023  -0.483864
1  3.322402   -0.842815  -2.249347
6  3.673595   -2.864221  -2.778076
6  5.451808   -1.205794  -2.189795
1  -2.504229   3.898640  -2.288529
6  -1.874029   4.646616  -0.371256
1  0.170277   1.322954  -2.730145
6  -1.798628   1.591324  -3.474940
6  0.173745   3.065694  -3.954393
1  -1.000817   5.257420  1.496833
1  1.782877   2.760841  1.575509
6  2.218548   4.852978  1.402191
6  0.682357   3.818223  3.058110
1  4.577441   -4.205322  1.933437
1  1.084769   -1.569263  3.773963
1  1.171692   0.064589  4.480915
1  2.535574   -1.051057  4.669830
1  2.953354   1.704703  3.653635
1  3.804056   1.401400  2.116410
1  4.238794   0.470673  3.571081
1  4.386286   -3.692375  -2.619015
1  3.713323   -2.598546  -3.847118
1  2.653580   -3.222142  -2.571464
1  5.731209   -0.301168  -1.624540
1  5.604820   -0.992596  -3.260649
1  6.165034   -1.998946  -1.903679
1  -2.718080   5.336471  -0.281125
1  -2.369287   1.047087  -2.703701
1  -1.565179   0.875225  -4.279976
1  -2.458674   2.368045  -3.899616
1  -0.456248   3.939789  -4.199038
1  0.356870   2.505666  -4.886119
1  1.143990   3.446503  -3.593961
1  2.653789   4.833120  0.391422
1  3.047102   4.808351  2.129620
1  1.717293   5.829456  1.521994
1  0.150557   4.769219  3.230174
1  1.515207   3.789950  3.780729
1  -0.006656   2.997620  3.309276
17  0.707826   -1.146812  -2.707753
6  -0.286752   -2.009935  0.828447
1  0.389883   -1.559080  1.570565
6  0.387590   -3.146014  0.096209
1  -0.209415   -3.523109  -0.749446
1  1.365811   -2.853596  -0.306572
1  0.541896   -3.993995  0.792653
6  -1.553089   -2.403631  1.513340
6  -2.458810   -3.314791  0.949111
6  -1.865615   -1.881596  2.778632
6  -3.645766   -3.648085  1.595969
1  -2.240857   -3.765285  -0.024023
6  -3.046907   -2.214320  3.431394
1  -1.168759   -1.178376  3.246868
6  -3.951993   -3.092347  2.836491
1  -4.338682   -4.351906  1.123757
1  -3.265488   -1.779167  4.411389
1  -4.886214   -3.351497  3.343503
104
TSH'
6  -0.965963   -2.028911  -0.290491
6  -1.660245   -2.031391  0.956304
6  -0.288608   -3.213526  -0.650634
6  -1.772381   -3.204848  1.716763
6  -0.381088   -4.353635  0.132112
1  0.319184   -3.226594  -1.559338
6  -1.148682   -4.371897  1.306617
1  -2.324033   -3.184945  2.664091
1  0.159333   -5.255017  -0.176531
1  -1.228555   -5.283953  1.904289
6  -2.173672   -0.745329  1.376334
6  -3.142043   -0.523036  2.366673
7  -1.656421   0.303131  0.681397
6  -3.619217   0.757978  2.585621
1  -3.543993   -1.373824  2.922485
6  -2.151698   1.534058  0.867441
6  -3.135404   1.809719  1.802421
1  -4.386699   0.936888  3.343723
1  -1.726976   2.322455  0.237480
1  -3.498201   2.833634  1.919642
45  -0.321240   -0.193107  -0.809703
6  1.359996   0.719383  -0.106301
7  2.521447   0.085226  0.223608
7  1.704767   2.037234  -0.170953
6  3.573592   0.987300  0.306213
6  2.644615   -1.299489  0.594079
6  3.064075   2.214404  0.054415
6  0.769424   3.123591  -0.171734
1  4.583231   0.663675  0.550544
6  2.108442   -1.699094  1.838076
6  3.342239   -2.182619  -0.245662
1  3.525111   3.199783  0.026327
6  0.235748   3.585807  -1.385076
6  0.427480   3.687598  1.073563
6  2.249195   -3.039101  2.199413
6  1.491701   -0.701437  2.801932
6  3.465994   -3.511461  0.176493
6  4.009076   -1.744105  -1.532862
6  -0.674828   4.646237  -1.325698
6  0.655632   3.007192  -2.716579
6  -0.475911   4.753671  1.074559
6  1.020931   3.202852  2.382836
1  1.830739   -3.391018  3.145909
6  2.918266   -3.939012  1.376138
1  0.891398   0.013082  2.206525
6  0.556148   -1.324625  3.826985
6  2.590863   0.074510  3.530556
1  4.004649   -4.223289  -0.456811
1  3.582912   -0.766160  -1.816524
6  3.729920   -2.693855  -2.691296
6  5.515258   -1.593165  -1.326986
1  -1.108009   5.029891  -2.254865
6  -1.026462   5.226427  -0.111937
1  1.170151   2.048665  -2.532899
6  -0.532187   2.692067  -3.614607
6  1.647042   3.943576  -3.401153
1  -0.757352   5.217926  2.025934
1  1.616926   2.298299  2.177123
6  1.970485   4.248193  2.961556
6  -0.035896   2.800772  3.405168
1  3.017037   -4.985211  1.681101
1  -0.192155   -1.979994  3.355098
1  0.019932   -0.533382  4.377457
1  1.107198   -1.918767  4.576968
1  2.154174   0.809562  4.229165
1  3.259226   0.619813  2.844920
1  3.214511   -0.617971  4.122878
1  4.214092   -3.675834  -2.549945
1  4.125578   -2.269734  -3.628847
1  2.647900   -2.842314  -2.828640
1  5.764405   -0.884298  -0.519828
1  6.001980   -1.236673  -2.250023
1  5.975500   -2.560863  -1.060022
1  -1.734693   6.060027  -0.090993
1  -1.260674   2.045053  -3.095189
1  -0.194169   2.147671  -4.510643
1  -1.057417   3.601902  -3.954682
1  1.188464   4.923721  -3.623208
1  1.996384   3.510992  -4.352765
1  2.531785   4.125611  -2.767658
1  2.751192   4.535720  2.238332
1  2.470854   3.862362  3.865763
1  1.428944   5.167210  3.246115
1  -0.723571   3.630643  3.644179
1  0.445792   2.497651  4.350484
1  -0.645080   1.952210  3.051692
17  1.022427   -0.586849  -2.741621
1  -0.866873   -2.336647  -3.319163
6  -1.882191   -2.366180  -2.897768
6  -2.065422   -1.285453  -1.854040
1  -2.072030   -3.380097  -2.511409
1  -2.591298   -2.191791  -3.726718
1  -1.857641   -0.317105  -2.360541
6  -3.452589   -1.196646  -1.313988
6  -4.144420   -2.331362  -0.862069
6  -4.125090   0.032939  -1.277723
6  -5.447221   -2.235031  -0.382047
1  -3.646035   -3.306736  -0.877175
6  -5.428480   0.134702  -0.799386
1  -3.606033   0.928627  -1.641642
6  -6.095975   -1.001055  -0.344713
1  -5.963909   -3.135496  -0.035429
1  -5.928149   1.108610  -0.786777
1  -7.121743   -0.927105  0.028767
24
diphenylacetylene
6  2.034462   -0.019774  0.000016
6  2.769736   -1.217880  -0.001930
6  2.728497   1.202826  0.001968
6  4.159262   -1.189411  -0.001888
1  2.231541   -2.169969  -0.003467
6  4.117836   1.222929  0.002010
1  2.157506   2.135628  0.003476
6  4.837680   0.028715  0.000077
1  4.720248   -2.128383  -0.003412
1  4.646038   2.180724  0.003565
1  5.931225   0.047399  0.000088
6  0.608958   -0.037908  -0.000047
6  -0.608972   -0.039002  -0.000158
6  -2.034468   -0.020309  -0.000121
6  -2.770217   -1.218125  0.001893
6  -2.728024   1.202564  -0.002009
6  -4.159730   -1.189108  0.001980
1  -2.232394   -2.170425  0.003391
6  -4.117355   1.223216  -0.001922
1  -2.156668   2.135143  -0.003560
6  -4.837669   0.029287  0.000072
1  -4.721085   -2.127858  0.003559
1  -4.645180   2.181220  -0.003426
1  -5.931207   0.048403  0.000154
112
B''
6  -3.908807   3.347445  -0.390769
6  -3.018175   2.763966  0.519243
6  -5.158977   2.781434  -0.615643
6  -3.402878   1.599026  1.187480
6  -5.535203   1.619553  0.057752
1  -5.840420   3.241570  -1.337336
6  -4.649549   1.025385  0.953726
1  -6.518431   1.174279  -0.122121
1  -4.934941   0.115688  1.492442
6  -1.746419   3.422040  0.879176
6  -1.729174   4.815988  1.019306
7  -0.654699   2.680242  1.166164
6  -0.591542   5.457513  1.485540
1  -2.635649   5.382835  0.795034
6  0.414376   3.305817  1.674183
6  0.501877   4.680982  1.848220
1  -0.572450   6.545654  1.593391
1  1.257669   2.671830  1.955819
1  1.414409   5.118906  2.257989
45  -0.095377   0.732560  0.127365
6  0.385935   -0.718507  -1.141986
7  -0.476147   -1.595156  -1.750128
7  1.520617   -0.800978  -1.905805
6  0.082386   -2.129887  -2.903234
6  -1.755351   -2.041913  -1.272743
6  1.333259   -1.633313  -3.000859
6  2.848120   -0.382687  -1.554360
1  -0.472022   -2.823490  -3.532225
6  -1.786530   -3.050141  -0.283762
6  -2.919227   -1.549938  -1.886596
1  2.126818   -1.800913  -3.726538
6  3.361075   0.823798  -2.055021
6  3.634897   -1.294208  -0.820853
6  -3.038803   -3.516175  0.119801
6  -0.516186   -3.657900  0.282911
6  -4.148153   -2.035263  -1.424415
6  -2.876453   -0.618602  -3.078873
6  4.695753   1.126093  -1.765399
6  2.545178   1.752217  -2.926077
6  4.954257   -0.932876  -0.541361
6  3.136601   -2.672685  -0.427195
1  -3.102076   -4.289183  0.890758
6  -4.209390   -3.001881  -0.430110
1  0.217776   -2.836506  0.395237
6  -0.685070   -4.305622  1.650657
6  0.062883   -4.698299  -0.677904
1  -5.073033   -1.658089  -1.872897
1  -1.858854   -0.198672  -3.150059
6  -3.814910   0.567693  -2.933928
6  -3.179343   -1.396974  -4.357832
1  5.125605   2.058651  -2.147054
6  5.480914   0.265818  -1.008240
1  1.508560   1.375780  -2.956595
6  2.470117   3.159602  -2.348247
6  3.090579   1.763433  -4.350855
1  5.586993   -1.611877  0.040542
1  2.095795   -2.773924  -0.774946
6  3.948170   -3.751345  -1.140783
6  3.111573   -2.907542  1.077580
1  -5.180309   -3.375313  -0.089766
1  -1.191816   -3.650430  2.374063
1  0.304837   -4.561278  2.063871
1  -1.255667   -5.248911  1.584994
1  0.989903   -5.131059  -0.263111
1  0.302969   -4.288122  -1.670717
1  -0.656136   -5.524444  -0.819200
1  -4.878347   0.266828  -2.930018
1  -3.671881   1.266292  -3.775019
1  -3.601059   1.121329  -2.008261
1  -2.490306   -2.245129  -4.507985
1  -3.100630   -0.739534  -5.239502
1  -4.203833   -1.809261  -4.339157
1  6.519609   0.527878  -0.784051
1  2.003853   3.151256  -1.348729
1  1.838238   3.798567  -2.986380
1  3.464881   3.634399  -2.274744
1  4.116572   2.170344  -4.392225
1  2.458381   2.388013  -5.003192
1  3.120992   0.748495  -4.782217
1  3.960814   -3.594679  -2.232363
1  3.524298   -4.750984  -0.946382
1  4.996610   -3.765404  -0.796297
1  4.101837   -2.753278  1.540835
1  2.800631   -3.944609  1.293505
1  2.397702   -2.231315  1.575999
17  -0.798701   1.889590  -1.855047
1  -2.720762   1.162064  1.921355
6  0.026562   -0.288163  1.925980
6  1.178194   0.212910  1.678266
1  -3.603392   4.236863  -0.950920
6  2.542767   0.506317  2.043167
6  3.314829   1.455184  1.352946
6  3.123839   -0.137675  3.154214
6  4.604494   1.764946  1.770724
1  2.885347   1.945068  0.473288
6  4.418879   0.160873  3.557131
1  2.542116   -0.891264  3.694799
6  5.165483   1.120221  2.871128
1  5.182845   2.511421  1.217080
1  4.849424   -0.354772  4.420873
1  6.181786   1.362644  3.195045
6  -0.906230   -0.937071  2.811368
6  -2.219264   -1.239669  2.415475
6  -0.513271   -1.268186  4.123376
6  -3.107261   -1.845542  3.298842
1  -2.526504   -1.000877  1.392898
6  -1.402096   -1.875027  5.001780
1  0.503108   -1.026757  4.449281
6  -2.705463   -2.165995  4.594468
1  -4.123117   -2.082022  2.964357
1  -1.077737   -2.120569  6.017419
1  -3.405147   -2.641960  5.287516
112
E''
6  -0.451584   1.109296  1.472544
6  0.646309   1.553271  2.254626
6  -1.734909   1.249709  2.012283
6  0.427978   2.144749  3.508599
6  -1.939090   1.822976  3.266181
1  -2.602764   0.934619  1.419960
6  -0.856524   2.283127  4.016957
1  1.275914   2.496373  4.106133
1  -2.958030   1.932216  3.654560
1  -1.014564   2.746741  4.994784
6  1.995957   1.356938  1.709546
6  3.180958   1.750299  2.347679
7  2.047619   0.748134  0.506251
6  4.401508   1.515409  1.729795
1  3.143106   2.244459  3.321235
6  3.217192   0.537260  -0.094173
6  4.429092   0.897633  0.482076
1  5.330678   1.821311  2.219546
1  3.160595   0.063820  -1.081634
1  5.366114   0.701357  -0.043755
45  0.010721   0.503712  -0.388376
6  -0.377075   -1.480016  -0.132226
7  -1.550812   -2.112701  -0.451827
7  0.508736   -2.506966  0.036657
6  -1.368948   -3.483687  -0.556549
6  -2.860884   -1.545596  -0.627978
6  -0.081252   -3.731972  -0.242677
6  1.860223   -2.452752  0.521545
1  -2.183562   -4.144104  -0.845617
6  -3.700223   -1.435114  0.500649
6  -3.291837   -1.216862  -1.924302
1  0.479089   -4.661062  -0.169507
6  2.911680   -2.769637  -0.355981
6  2.064842   -2.201095  1.895453
6  -4.986112   -0.926560  0.300414
6  -3.278431   -1.923558  1.873961
6  -4.592283   -0.720613  -2.067269
6  -2.429986   -1.429764  -3.149391
6  4.206125   -2.803828  0.176003
6  2.697605   -3.138837  -1.811384
6  3.378496   -2.235957  2.365660
6  0.904601   -1.965538  2.845921
1  -5.661052   -0.818624  1.154087
6  -5.427899   -0.568298  -0.969103
1  -2.185383   -1.772553  1.965161
6  -3.950218   -1.182438  3.022950
6  -3.572108   -3.417776  2.022971
1  -4.954177   -0.454703  -3.065944
1  -1.401611   -1.656896  -2.820299
6  -2.327419   -0.180479  -4.014185
6  -2.949935   -2.618145  -3.954171
1  5.046594   -3.049952  -0.481003
6  4.440070   -2.532452  1.515493
1  1.667148   -2.856062  -2.088254
6  3.616471   -2.378791  -2.760295
6  2.877706   -4.643454  -2.007443
1  3.579373   -2.035500  3.421346
1  0.178777   -1.310677  2.328941
6  0.200136   -3.279010  3.187392
6  1.296230   -1.262490  4.137017
1  -6.441712   -0.178253  -1.102460
1  -3.927629   -0.090839  2.893415
1  -3.439746   -1.416937  3.971874
1  -5.004115   -1.489431  3.140775
1  -3.298022   -3.768846  3.031927
1  -3.026571   -4.037311  1.296040
1  -4.651183   -3.607121  1.884771
1  -3.302153   0.117858  -4.439422
1  -1.636061   -0.362403  -4.852387
1  -1.908628   0.663488  -3.441956
1  -2.989742   -3.539458  -3.348467
1  -2.297742   -2.812955  -4.821275
1  -3.968938   -2.431521  -4.337253
1  5.460592   -2.560080  1.909322
1  3.455947   -1.292257  -2.689100
1  3.391197   -2.662852  -3.801315
1  4.682607   -2.604815  -2.584057
1  3.914860   -4.949963  -1.784203
1  2.664789   -4.928115  -3.051036
1  2.218189   -5.239734  -1.355625
1  -0.219744   -3.784871  2.303473
1  -0.630576   -3.095239  3.890681
1  0.902762   -3.977659  3.675341
1  1.875246   -1.924707  4.805107
1  0.387858   -0.959655  4.684139
1  1.890768   -0.352837  3.956296
17  0.834653   -0.264759  -2.637867
1  -1.452915   0.419465  -0.865225
6  -0.654421   2.600706  -0.868950
6  0.555191   2.628476  -1.154166
6  -1.962528   3.111443  -0.535550
6  -2.034406   4.206411  0.339497
6  -3.150460   2.544358  -1.016220
6  -3.267559   4.715099  0.732092
1  -1.103897   4.630787  0.731412
6  -4.380425   3.059671  -0.623954
1  -3.104661   1.679253  -1.685328
6  -4.444520   4.141366  0.254208
1  -3.309865   5.560610  1.424758
1  -5.299285   2.601730  -1.003024
1  -5.414922   4.536964  0.568187
6  1.880192   3.074362  -1.481941
6  2.521640   3.969912  -0.608905
6  2.541496   2.660785  -2.649474
6  3.799266   4.437692  -0.895765
1  2.000431   4.289058  0.300341
6  3.818090   3.137302  -2.928286
1  2.041462   1.945336  -3.307691
6  4.451159   4.022505  -2.056320
1  4.288937   5.134313  -0.208743
1  4.325824   2.812951  -3.841486
1  5.454996   4.393656  -2.283603
112
TSF''
6  -0.154081   0.799701  1.825937
6  1.053968   1.206047  2.446847
6  -1.296389   0.687139  2.625051
6  1.090268   1.475378  3.822343
6  -1.247961   0.951424  3.993366
1  -2.250217   0.394243  2.169887
6  -0.053140   1.344196  4.598779
1  2.027257   1.785784  4.297618
1  -2.157801   0.858151  4.596323
1  -0.017941   1.554856  5.671218
6  2.222246   1.345268  1.578087
6  3.460839   1.865086  1.970945
7  2.021143   0.966339  0.294401
6  4.472156   2.008807  1.031557
1  3.616396   2.178605  3.005839
6  2.986722   1.119657  -0.613057
6  4.235003   1.634230  -0.288491
1  5.439336   2.425806  1.326443
1  2.712477   0.830824  -1.635013
1  4.996733   1.743231  -1.063592
45  -0.046790   0.571127  -0.156918
6  -0.046919   -1.532794  -0.213942
7  -1.145981   -2.317848  -0.433445
7  1.000009   -2.383858  -0.437628
6  -0.786884   -3.595069  -0.843241
6  -2.539057   -2.001270  -0.277916
6  0.560456   -3.638134  -0.838064
6  2.403461   -2.142426  -0.248991
1  -1.534885   -4.347607  -1.083747
6  -3.133877   -2.186514  0.988389
6  -3.284245   -1.663579  -1.420143
1  1.258609   -4.442562  -1.056922
6  3.242921   -2.101751  -1.376762
6  2.899013   -2.069986  1.070569
6  -4.517075   -2.010681  1.082167
6  -2.334033   -2.632575  2.198205
6  -4.667987   -1.515951  -1.270614
6  -2.656328   -1.482211  -2.784841
6  4.616945   -1.955930  -1.152880
6  2.735324   -2.274763  -2.795629
6  4.276911   -1.913017  1.230810
6  1.987853   -2.217659  2.276856
1  -5.012870   -2.145080  2.047439
6  -5.279500   -1.690549  -0.037641
1  -1.328878   -2.174333  2.121037
6  -2.941968   -2.192973  3.523545
6  -2.173298   -4.153737  2.212537
1  -5.272882   -1.253884  -2.144626
1  -1.558204   -1.496923  -2.671944
6  -3.001171   -0.126464  -3.389833
6  -3.059932   -2.618496  -3.719926
1  5.296584   -1.921684  -2.010341
6  5.128625   -1.853956  0.131575
1  1.640711   -2.131627  -2.784828
6  3.292921   -1.237046  -3.762175
6  3.059172   -3.677406  -3.308869
1  4.699366   -1.841741  2.236292
1  1.076962   -1.620882  2.081290
6  1.569023   -3.675135  2.473746
6  2.593389   -1.698296  3.572185
1  -6.363665   -1.574926  0.057109
1  -3.224910   -1.129217  3.526001
1  -2.217072   -2.347936  4.339597
1  -3.840591   -2.783442  3.773841
1  -1.624689   -4.476896  3.113161
1  -1.626174   -4.535718  1.337371
1  -3.164395   -4.640509  2.232081
1  -4.078853   -0.031235  -3.612234
1  -2.445553   0.015050  -4.330444
1  -2.706818   0.698047  -2.720533
1  -2.780662   -3.606620  -3.317109
1  -2.567942   -2.503918  -4.699613
1  -4.150417   -2.629375  -3.894760
1  6.205660   -1.735775  0.284160
1  3.042263   -0.213747  -3.446074
1  2.841224   -1.378184  -4.757615
1  4.386547   -1.323765  -3.885722
1  4.150969   -3.830145  -3.373494
1  2.642717   -3.827288  -4.318603
1  2.660053   -4.473825  -2.660141
1  1.005359   -4.081613  1.618884
1  0.929943   -3.772443  3.368141
1  2.457464   -4.313014  2.627320
1  3.409804   -2.349412  3.932016
1  1.822486   -1.675690  4.360032
1  2.990955   -0.675905  3.469653
17  0.367511   0.358371  -2.652165
1  -1.651024   0.610334  -0.383979
6  -1.507981   2.174687  -0.409356
6  -0.323314   2.632877  -0.514977
6  0.693215   3.637771  -0.682814
6  1.383590   3.747037  -1.902080
6  1.040881   4.481961  0.384628
6  2.389084   4.696598  -2.046982
1  1.123153   3.056106  -2.711055
6  2.056940   5.420344  0.230218
1  0.505769   4.385834  1.335483
6  2.732116   5.532485  -0.984264
1  2.917175   4.781229  -3.001613
1  2.321212   6.073871  1.067040
1  3.526891   6.274852  -1.103302
6  -2.909547   2.539980  -0.317438
6  -3.245440   3.885935  -0.548159
6  -3.928839   1.636292  0.000967
6  -4.566377   4.305620  -0.469597
1  -2.448576   4.595625  -0.793272
6  -5.251426   2.062619  0.082307
1  -3.681187   0.586384  0.186708
6  -5.576958   3.395663  -0.153325
1  -4.812310   5.355056  -0.656518
1  -6.032866   1.338370  0.332834
1  -6.616935   3.728593  -0.090564
112
G''
6  1.113157   1.436469  1.181081
6  1.164973   2.843896  1.331246
6  1.711263   0.659019  2.177673
6  1.841874   3.424402  2.414025
6  2.381992   1.239130  3.250921
1  1.650634   -0.432663  2.114551
6  2.458133   2.628338  3.369235
1  1.889584   4.513902  2.512940
1  2.857018   0.600004  4.003865
1  2.988319   3.085794  4.208960
6  0.489475   3.633803  0.302570
6  0.369692   5.028104  0.297211
7  -0.044613   2.906188  -0.704797
6  -0.290469   5.652892  -0.751515
1  0.791076   5.614487  1.116355
6  -0.676180   3.503880  -1.718946
6  -0.820379   4.883072  -1.784888
1  -0.390833   6.742070  -0.762843
1  -1.058707   2.833008  -2.497544
1  -1.343987   5.336219  -2.628831
45  0.271988   0.816843  -0.519737
6  0.930286   -1.109104  -0.613522
7  0.311598   -2.236711  -1.075826
7  2.269138   -1.362908  -0.797893
6  1.231138   -3.118771  -1.625075
6  -1.073737   -2.586973  -0.903402
6  2.452982   -2.570240  -1.459378
6  3.388757   -0.684579  -0.190343
1  0.919124   -4.061063  -2.070069
6  -1.508801   -2.911303  0.402569
6  -1.918803   -2.686323  -2.022797
1  3.445442   -2.921750  -1.732586
6  3.836669   0.551237  -0.690876
6  4.008178   -1.315645  0.907139
6  -2.860362   -3.210974  0.576473
6  -0.532737   -3.068049  1.556202
6  -3.260518   -3.013408  -1.789309
6  -1.428759   -2.551404  -3.450827
6  4.939218   1.143386  -0.072030
6  3.169586   1.208284  -1.872929
6  5.123322   -0.691260  1.473208
6  3.514630   -2.625676  1.495473
1  -3.241374   -3.432714  1.576579
6  -3.734099   -3.241829  -0.506604
1  0.177576   -2.220685  1.517181
6  -1.178188   -3.063547  2.933999
6  0.258331   -4.370359  1.398751
1  -3.946173   -3.085715  -2.639356
1  -0.439060   -2.064916  -3.427508
6  -2.319696   -1.669725  -4.317243
6  -1.293679   -3.937678  -4.080517
1  5.301962   2.108503  -0.435726
6  5.584768   0.526176  0.992775
1  2.084345   0.996541  -1.814022
6  3.306055   2.720604  -1.917664
6  3.620976   0.579866  -3.187010
1  5.628968   -1.162952  2.322030
1  2.512071   -2.829923  1.081263
6  4.421281   -3.790504  1.105055
6  3.362182   -2.579301  3.012893
1  -4.791071   -3.473990  -0.345825
1  -1.857922   -2.212917  3.088950
1  -0.395971   -3.017675  3.710245
1  -1.750839   -3.990315  3.113596
1  0.968230   -4.495510  2.235224
1  0.835324   -4.421728  0.462389
1  -0.429450   -5.233869  1.415982
1  -3.331119   -2.093572  -4.446239
1  -1.879122   -1.572217  -5.323087
1  -2.399139   -0.652829  -3.903699
1  -0.644352   -4.609455  -3.493982
1  -0.874110   -3.864620  -5.097584
1  -2.277277   -4.433262  -4.160426
1  6.452073   1.004351  1.457043
1  3.047406   3.187342  -0.951580
1  2.623894   3.124744  -2.684991
1  4.327721   3.039860  -2.188798
1  4.700797   0.749396  -3.347742
1  3.064143   1.021495  -4.029012
1  3.435787   -0.506221  -3.208172
1  4.543246   -3.879560  0.014225
1  4.011661   -4.744876  1.477930
1  5.428783   -3.666972  1.539238
1  4.332571   -2.459385  3.523715
1  2.924912   -3.523949  3.378395
1  2.706372   -1.758067  3.343360
17  -0.076814   0.525105  -2.981377
6  -1.560611   0.205722  1.815059
6  -1.424650   0.662671  0.556441
1  -0.660826   -0.091989  2.365387
6  -2.800740   0.091319  2.601917
6  -4.063907   -0.181520  2.049514
6  -2.709516   0.209754  3.999666
6  -5.184731   -0.310504  2.863870
1  -4.164932   -0.312182  0.968274
6  -3.831561   0.087049  4.812550
1  -1.728048   0.406172  4.446977
6  -5.078817   -0.172537  4.247341
1  -6.156466   -0.527312  2.409443
1  -3.730926   0.192140  5.897224
1  -5.963620   -0.274353  4.882594
6  -2.532907   1.278325  -0.200206
6  -3.088461   2.489843  0.241356
6  -3.061807   0.677158  -1.348545
6  -4.146406   3.077251  -0.445185
1  -2.677144   2.962694  1.141217
6  -4.124749   1.260248  -2.030874
1  -2.625281   -0.260028  -1.699927
6  -4.669379   2.463879  -1.583970
1  -4.569808   4.020639  -0.086954
1  -4.529940   0.767636  -2.920840
1  -5.503635   2.924154  -2.121932
112
TSH''
6  -0.927519   1.323998  -1.403889
6  -1.629937   1.225641  -2.644929
6  -0.513311   2.615707  -1.030837
6  -1.873107   2.362704  -3.427388
6  -0.740082   3.731216  -1.818997
1  -0.033471   2.750353  -0.064436
6  -1.430355   3.614788  -3.030653
1  -2.386958   2.250647  -4.387514
1  -0.384987   4.707426  -1.471121
1  -1.617121   4.492659  -3.654636
6  -2.029074   -0.104835  -3.086822
6  -2.979489   -0.386356  -4.075262
7  -1.411674   -1.104325  -2.429443
6  -3.273979   -1.708506  -4.372926
1  -3.495460   0.430147  -4.585453
6  -1.684888   -2.378466  -2.719575
6  -2.615494   -2.728961  -3.687403
1  -4.020831   -1.945464  -5.135940
1  -1.120897   -3.127699  -2.153926
1  -2.817918   -3.781487  -3.895259
45  -0.039475   -0.484537  -0.962666
6  1.442596   -0.133750  0.421120
7  1.856122   -1.089149  1.325432
7  2.322582   0.900445  0.632496
6  2.935659   -0.645070  2.071669
6  1.415091   -2.462288  1.411109
6  3.240891   0.590274  1.629682
6  2.455379   2.160470  -0.049570
1  3.391929   -1.264097  2.839850
6  0.251034   -2.768893  2.140959
6  2.205245   -3.461589  0.805807
1  4.027578   1.285439  1.912288
6  2.921669   2.182177  -1.375413
6  2.219966   3.345468  0.679459
6  -0.196965   -4.092852  2.123559
6  -0.411719   -1.745495  3.036870
6  1.718800   -4.771489  0.836208
6  3.586179   -3.202804  0.231160
6  3.130856   3.429894  -1.971200
6  3.257281   0.928417  -2.147282
6  2.459501   4.563314  0.038862
6  1.713404   3.361959  2.111554
1  -1.110686   -4.359916  2.660515
6  0.516478   -5.081017  1.456342
1  -0.361655   -0.770091  2.524757
6  -1.872126   -2.033946  3.342286
6  0.364886   -1.626986  4.348976
1  2.297676   -5.565766  0.356342
1  3.640639   -2.138719  -0.062617
6  3.914023   -4.035812  -1.002920
6  4.648858   -3.482198  1.296866
1  3.490819   3.469034  -3.004021
6  2.908246   4.609640  -1.275820
1  2.829995   0.063127  -1.620013
6  2.635532   0.919199  -3.537155
6  4.767784   0.721694  -2.199703
1  2.286928   5.497791  0.582603
1  1.415421   2.330384  2.381314
6  2.809251   3.798462  3.081474
6  0.486807   4.254796  2.286436
1  0.146566   -6.110698  1.448362
1  -2.476739   -2.146454  2.427628
1  -2.305761   -1.205646  3.924785
1  -1.990539   -2.948486  3.949153
1  -0.104874   -0.875202  5.005934
1  1.413961   -1.328091  4.193932
1  0.367963   -2.592378  4.885645
1  4.075454   -5.097431  -0.746660
1  4.852170   -3.675588  -1.456138
1  3.121814   -3.971108  -1.761662
1  4.511730   -2.892539  2.215841
1  5.657471   -3.266926  0.906022
1  4.624845   -4.546525  1.589614
1  3.088446   5.574416  -1.759054
1  1.551218   1.121427  -3.486423
1  2.761513   -0.075806  -3.993099
1  3.097350   1.662862  -4.210425
1  5.274404   1.540610  -2.741350
1  5.005995   -0.223299  -2.716402
1  5.203260   0.671710  -1.186511
1  3.704157   3.158889  3.022286
1  2.444613   3.772918  4.121698
1  3.131085   4.832089  2.867109
1  0.730858   5.317386  2.119430
1  0.095148   4.172684  3.314034
1  -0.334612   3.987289  1.601149
17  1.423479   -2.045893  -1.989788
6  -1.670610   0.415101  0.073633
6  -1.411146   0.955534  1.300693
1  -0.379595   1.296912  1.456933
6  -2.226639   1.172152  2.495236
6  -3.612434   0.948315  2.632904
6  -1.538548   1.623454  3.642178
6  -4.256861   1.174644  3.844348
1  -4.202559   0.587316  1.790083
6  -2.182032   1.841875  4.853607
1  -0.456066   1.787492  3.570298
6  -3.553867   1.620006  4.962948
1  -5.333646   0.993254  3.914496
1  -1.608162   2.187296  5.719102
1  -4.070692   1.791577  5.911432
6  -3.052262   -0.023587  -0.259996
6  -3.435293   -1.362783  -0.126662
6  -4.008214   0.910385  -0.682617
6  -4.745092   -1.757017  -0.389230
1  -2.681018   -2.098137  0.179345
6  -5.315940   0.516495  -0.952740
1  -3.714496   1.962216  -0.779890
6  -5.689415   -0.818858  -0.804855
1  -5.029445   -2.807393  -0.274308
1  -6.051637   1.259187  -1.276066
1  -6.717260   -1.129351  -1.014718
112
I''
6  -2.913618   -0.456071  -1.105325
6  -1.851257   -0.718167  -0.216802
6  -2.657522   -0.375108  -2.479643
6  -0.524786   -0.823883  -0.730466
6  -1.371769   -0.546368  -2.986824
1  -3.493947   -0.157853  -3.152171
6  -0.315008   -0.774281  -2.117583
1  0.245532   -1.516692  -0.134741
1  -1.195285   -0.486624  -4.065257
1  0.700036   -0.903186  -2.507055
6  -1.968241   -0.755639  1.253396
6  -3.099367   -1.149105  1.979188
7  -0.840805   -0.381872  1.905125
6  -3.069075   -1.114493  3.367398
1  -3.992272   -1.487912  1.454751
6  -0.814435   -0.339742  3.241776
6  -1.912621   -0.689922  4.015554
1  -3.948722   -1.424191  3.938738
1  0.130417   0.006823  3.677287
1  -1.851156   -0.639237  5.104824
45  0.890714   -0.121183  0.716792
6  2.478255   -0.071278  -0.467481
7  3.076524   0.978279  -1.112799
7  3.166225   -1.171490  -0.918027
6  4.063657   0.530776  -1.982397
6  2.959026   2.373615  -0.776381
6  4.131106   -0.812877  -1.852978
6  3.059215   -2.486554  -0.353350
1  4.628380   1.223425  -2.602858
6  1.892822   3.135411  -1.272585
6  3.966671   2.930065  0.037294
1  4.774687   -1.552270  -2.325621
6  3.495914   -2.677577  0.976291
6  2.571802   -3.544622  -1.139251
6  1.862020   4.497084  -0.955828
6  0.781205   2.541234  -2.104905
6  3.895290   4.295811  0.312796
6  5.106105   2.110683  0.612497
6  3.390949   -3.962594  1.510102
6  4.146805   -1.570044  1.780639
6  2.497358   -4.814077  -0.554748
6  2.159622   -3.379118  -2.587283
1  1.036262   5.112879  -1.327309
6  2.855276   5.076024  -0.179077
1  0.978082   1.460982  -2.203650
6  -0.559975   2.688741  -1.395288
6  0.744841   3.130445  -3.509994
1  4.664625   4.756071  0.940678
1  4.842542   1.043898  0.506184
6  5.314478   2.362553  2.101383
6  6.405410   2.349935  -0.152649
1  3.715709   -4.141880  2.538805
6  2.892566   -5.021569  0.758031
1  3.707680   -0.607167  1.468711
6  3.883567   -1.665053  3.275113
6  5.645496   -1.533487  1.485417
1  2.118980   -5.654575  -1.145610
1  2.153439   -2.299112  -2.817301
6  3.173240   -4.037102  -3.520245
6  0.757698   -3.916942  -2.853160
1  2.814993   6.143874  0.055196
1  -0.512898   2.234972  -0.388405
1  -1.362530   2.185148  -1.962419
1  -0.848671   3.748353  -1.282850
1  -0.034687   2.637978  -4.116331
1  1.710159   3.005034  -4.028767
1  0.514005   4.209779  -3.494342
1  5.674600   3.386536  2.300777
1  6.081398   1.674756  2.497836
1  4.379256   2.202160  2.659558
1  6.304603   2.141900  -1.230129
1  7.212118   1.707455  0.240564
1  6.734233   3.399076  -0.049157
1  2.821056   -6.019572  1.200219
1  2.803588   -1.743297  3.482749
1  4.247457   -0.753109  3.775346
1  4.397046   -2.523045  3.744135
1  6.132666   -2.473397  1.801310
1  6.129312   -0.702939  2.027922
1  5.851935   -1.396282  0.409661
1  4.189836   -3.635337  -3.376888
1  2.893371   -3.885405  -4.575979
1  3.225189   -5.124988  -3.342226
1  0.722450   -5.016609  -2.770983
1  0.429566   -3.656509  -3.873677
1  0.019623   -3.502192  -2.147583
17  1.877010   1.328602  2.290562
6  -5.226561   -1.148567  -0.683481
6  -4.312416   -0.154997  -0.670997
1  -4.875777   -2.121990  -1.058156
6  -4.603040   1.273408  -0.389254
6  -3.729115   2.068835  0.366724
6  -5.736030   1.882092  -0.952670
6  -4.001923   3.416722  0.585967
1  -2.818764   1.634279  0.791997
6  -6.003571   3.229264  -0.738992
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6  -5.140988   4.001386  0.038407
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136
J''
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6  -2.673823   -1.937871  2.197076
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6  -1.886896   1.753445  2.669609
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6  -2.519564   2.889500  4.726772
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6  -2.011498   4.092966  4.233684
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1  -2.963881   2.851412  5.725871
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112
TSK''
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6  2.635495   0.951026  -2.234420
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6  -4.024004   -2.889082  -0.633518
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112
L''
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1  6.424755   2.714046  -2.541386
1  5.241787   4.682553  -1.571191
136
M''
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136
TSN''
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136
O''
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6  -1.349377   3.308452  3.370606
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1  -3.880850   5.796640  1.837164
1  -2.908726   6.250592  4.087858
136
TSP''
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1  8.866553   0.271208  -2.136629
1  10.385230   1.681743  -0.751932
136
Q''
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6  1.790848   1.011599  0.800154
6  0.921948   1.685302  2.970970
6  3.034405   0.716020  1.404335
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69
bisalkenyl product
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6  -5.637024   -2.315632  -2.360369
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1  -4.115744   -2.340907  -3.894063
1  -6.425420   -2.684046  -3.023062
128
J'''
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6  2.768041   1.293893  1.475728
6  4.194719   2.839684  0.304015
6  1.955457   2.370214  1.846231
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6  2.459064   -0.024846  2.077802
6  3.458028   -0.649329  2.836985
7  1.215372   -0.544077  2.005354
6  3.187820   -1.819091  3.529897
1  4.441286   -0.176611  2.899423
6  0.954311   -1.650744  2.716169
6  1.895941   -2.327445  3.479117
1  3.967009   -2.309101  4.120871
1  -0.070802   -2.023446  2.674856
1  1.605653   -3.229791  4.021155
45  -0.299631   -0.152551  0.369713
6  -1.354797   0.017278  -1.309124
7  -1.401262   1.102966  -2.146161
7  -1.840036   -1.004818  -2.082208
6  -1.820258   0.739474  -3.418724
6  -1.154807   2.477807  -1.811069
6  -2.094563   -0.580981  -3.379512
6  -2.341282   -2.277499  -1.646333
1  -1.890010   1.468941  -4.223033
6  -2.179273   3.208243  -1.168656
6  0.045769   3.072091  -2.234384
1  -2.465311   -1.268946  -4.136946
6  -1.537953   -3.423038  -1.750690
6  -3.696278   -2.334778  -1.260998
6  -1.935211   4.557101  -0.904161
6  -3.517243   2.579041  -0.821498
6  0.249055   4.419177  -1.913454
6  1.049927   2.344083  -3.102048
6  -2.120234   -4.651107  -1.419257
6  -0.111741   -3.370169  -2.249934
6  -4.222224   -3.583206  -0.923647
6  -4.611394   -1.125358  -1.312388
1  -2.699539   5.153776  -0.398966
6  -0.726289   5.152428  -1.252194
1  -3.309799   1.557156  -0.447448
6  -4.292701   3.312875  0.264457
6  -4.409696   2.468333  -2.059252
1  1.184580   4.903739  -2.211164
1  0.823982   1.265414  -3.055996
6  2.475805   2.499585  -2.602754
6  0.927015   2.814502  -4.550090
1  -1.518539   -5.563459  -1.494832
6  -3.442939   -4.731583  -1.002100
1  0.169409   -2.311482  -2.380902
6  0.868015   -3.948886  -1.237145
6  0.008137   -4.064321  -3.603055
1  -5.268384   -3.658593  -0.607652
1  -4.002938   -0.242058  -1.567412
6  -5.640133   -1.298229  -2.427998
6  -5.290162   -0.813900  0.014827
1  -0.553165   6.207861  -1.019820
1  -3.689193   3.511640  1.162058
1  -5.162450   2.709109  0.571915
1  -4.688742   4.276331  -0.102564
1  -5.373048   1.997911  -1.795506
1  -3.961996   1.873001  -2.869415
1  -4.628468   3.473645  -2.460424
1  2.841355   3.539497  -2.682746
1  3.156397   1.862196  -3.192360
1  2.546360   2.180579  -1.553367
1  -0.091712   2.683570  -4.951882
1  1.619701   2.254385  -5.199922
1  1.176876   3.886444  -4.641093
1  -3.875604   -5.702029  -0.739690
1  0.831333   -3.387518  -0.288210
1  1.899802   -3.862953  -1.614991
1  0.671356   -5.016001  -1.029636
1  -0.220410   -5.142510  -3.531519
1  1.032446   -3.967348  -3.998760
1  -0.682853   -3.628944  -4.344818
1  -5.157679   -1.506402  -3.397442
1  -6.251236   -0.387011  -2.542252
1  -6.328087   -2.134600  -2.214247
1  -5.863714   -1.673870  0.402721
1  -5.996241   0.025444  -0.108704
1  -4.554918   -0.526487  0.783564
17  1.556672   -0.489578  -1.114778
1  1.087010   2.175745  2.482804
6  -1.663856   0.583440  1.744550
6  -1.857800   -0.676897  1.638266
6  4.774677   0.418706  0.137472
6  6.204621   0.426368  0.686243
1  6.178678   0.356913  1.790231
1  4.309340   -0.566067  0.309077
1  6.685187   1.395095  0.460097
1  4.821136   0.517103  -0.964326
6  7.031927   -0.695673  0.129492
6  6.903031   -1.991003  0.643202
6  7.905863   -0.489765  -0.941702
6  7.630926   -3.049415  0.107614
1  6.216217   -2.167087  1.480306
6  8.637380   -1.545758  -1.481706
1  8.015416   0.519329  -1.355541
6  8.502580   -2.829199  -0.957891
1  7.519004   -4.054487  0.525259
1  9.319530   -1.363836  -2.317626
1  9.077299   -3.659083  -1.379278
6  -2.493026   -1.905336  2.047921
6  -1.996687   -3.163907  1.670377
6  -3.618705   -1.865015  2.895323
6  -2.586411   -4.332764  2.138908
1  -1.137342   -3.210698  0.993767
6  -4.216700   -3.034760  3.345736
1  -4.026372   -0.892445  3.189788
6  -3.699448   -4.277237  2.975109
1  -2.176340   -5.300333  1.832648
1  -5.091842   -2.977880  4.000087
1  -4.164375   -5.198192  3.338730
6  -1.871424   1.848059  2.401303
6  -1.243306   3.023138  1.958248
6  -2.709249   1.924300  3.531608
6  -1.442952   4.229374  2.622354
1  -0.601125   2.971767  1.073767
6  -2.906477   3.130790  4.191420
1  -3.195832   1.013402  3.893754
6  -2.273268   4.290530  3.740411
1  -0.953019   5.136119  2.251486
1  -3.558168   3.168442  5.069426
1  -2.428688   5.239862  4.261057
128
TSN'''
6  -0.439276   -1.049978  0.730108
6  -1.838994   -0.872029  0.518255
6  0.005677   -1.899976  1.742341
6  -2.758560   -1.661091  1.260714
6  -0.902286   -2.598599  2.530610
1  1.081167   -2.037230  1.899242
6  -2.263443   -2.493375  2.269187
1  -0.548064   -3.263996  3.325364
1  -2.974919   -3.095232  2.846106
6  -2.178287   0.141782  -0.498524
6  -3.457691   0.568908  -0.889743
7  -1.098807   0.722348  -1.085480
6  -3.607111   1.545373  -1.865844
1  -4.349288   0.144043  -0.439700
6  -1.240997   1.643032  -2.038158
6  -2.481043   2.098371  -2.461932
1  -4.611735   1.863208  -2.160469
1  -0.303177   1.996353  -2.480905
1  -2.546006   2.864152  -3.238363
45  0.763623   -0.220902  -0.632350
6  1.716554   1.250484  0.540055
7  2.954335   1.128149  1.113656
7  1.476162   2.595432  0.596245
6  3.484191   2.365760  1.453421
6  3.704364   -0.054644  1.436399
6  2.551971   3.286241  1.136941
6  0.273933   3.303204  0.259951
1  4.472948   2.458752  1.897753
6  3.482839   -0.666798  2.688581
6  4.732788   -0.461589  0.569946
1  2.531856   4.366585  1.258852
6  0.297656   4.214220  -0.810370
6  -0.850249   3.140685  1.096501
6  4.320050   -1.726558  3.046671
6  2.439660   -0.156713  3.664658
6  5.551698   -1.517100  0.987309
6  4.999050   0.211103  -0.758742
6  -0.855433   4.976409  -1.031974
6  1.519025   4.437745  -1.683131
6  -1.978234   3.912893  0.815505
6  -0.820807   2.205732  2.291093
1  4.175163   -2.223939  4.009950
6  5.352457   -2.141316  2.210323
1  1.602208   0.260369  3.073780
6  1.872260   -1.240497  4.572874
6  3.018734   0.962029  4.532190
1  6.360407   -1.854274  0.330874
1  4.183689   0.926487  -0.959156
6  4.979866   -0.783377  -1.913128
6  6.315122   0.982134  -0.716522
1  -0.866809   5.700998  -1.852793
6  -1.980780   4.826133  -0.235274
1  2.235370   3.620861  -1.484295
6  1.206411   4.374159  -3.173916
6  2.173090   5.777828  -1.349918
1  -2.872200   3.808886  1.436328
1  -0.283219   1.292004  1.979235
6  -0.059073   2.830687  3.459092
6  -2.198429   1.764954  2.758415
1  6.007515   -2.961696  2.519525
1  1.590927   -2.150321  4.021044
1  0.969698   -0.867949  5.085518
1  2.592026   -1.531195  5.357854
1  2.271373   1.314290  5.262961
1  3.344303   1.833061  3.943194
1  3.891485   0.591147  5.098103
1  5.794015   -1.526082  -1.837521
1  5.094117   -0.248327  -2.869284
1  4.018814   -1.319754  -1.962969
1  6.330011   1.731017  0.093370
1  6.481145   1.512600  -1.668316
1  7.174873   0.307229  -0.558140
1  -2.872664   5.429663  -0.429083
1  0.837782   3.380180  -3.468508
1  2.127355   4.549916  -3.753459
1  0.475814   5.141922  -3.483014
1  1.500467   6.617216  -1.599641
1  3.101190   5.913264  -1.929138
1  2.426267   5.875522  -0.281663
1  0.991184   3.057335  3.212760
1  -0.058437   2.146130  4.325297
1  -0.542827   3.771269  3.777016
1  -2.742525   2.577258  3.272531
1  -2.103204   0.928294  3.471632
1  -2.819430   1.413814  1.919399
17  1.996322   0.928483  -2.533990
1  2.021525   -1.188441  -0.348642
6  1.243857   -2.224934  -1.348047
6  0.250182   -1.757113  -1.990826
6  -4.251188   -1.720739  1.050656
6  -5.049502   -0.704642  1.878080
1  -4.828791   -0.885454  2.946781
1  -4.592734   -2.728948  1.345776
1  -4.516870   -1.644091  -0.016871
1  -4.698746   0.321088  1.669574
6  -6.526319   -0.796440  1.624340
6  -7.178737   0.127254  0.801503
6  -7.276131   -1.844971  2.169971
6  -8.540277   0.007461  0.528334
1  -6.609685   0.963416  0.377015
6  -8.636034   -1.968466  1.901273
1  -6.779853   -2.572482  2.823349
6  -9.272995   -1.042139  1.076565
1  -9.033014   0.742955  -0.114544
1  -9.205637   -2.792302  2.341582
1  -10.342018   -1.136772  0.865342
6  -0.890987   -1.837867  -2.862836
6  -1.019201   -0.980164  -3.966868
6  -1.919929   -2.750065  -2.572876
6  -2.154856   -1.044703  -4.766933
1  -0.210933   -0.267899  -4.167420
6  -3.056878   -2.797839  -3.373461
1  -1.814393   -3.409373  -1.704024
6  -3.177943   -1.945872  -4.470681
1  -2.246970   -0.378087  -5.629786
1  -3.855440   -3.508485  -3.139741
1  -4.071712   -1.987161  -5.100225
6  2.062754   -3.399694  -1.121924
6  1.911268   -4.473199  -2.018534
6  2.961745   -3.533108  -0.058425
6  2.645838   -5.639505  -1.852554
1  1.208043   -4.371401  -2.851588
6  3.692723   -4.706047  0.105970
1  3.087998   -2.707177  0.648198
6  3.540847   -5.762335  -0.788187
1  2.520613   -6.462848  -2.561909
1  4.389405   -4.790103  0.945852
1  4.118540   -6.681998  -0.658382
97
B-Me
6  4.572963   1.737930  0.138169
6  3.419595   1.617927  -0.650441
6  5.426521   0.655491  0.325776
6  3.136606   0.376369  -1.230228
6  5.146077   -0.567324  -0.279786
1  6.311334   0.767120  0.959185
6  3.997339   -0.701537  -1.055582
1  5.814160   -1.422407  -0.134742
1  3.756558   -1.660686  -1.523573
6  2.557987   2.801416  -0.864392
6  3.163689   4.064398  -0.962805
7  1.215384   2.677058  -0.957351
6  2.392644   5.207011  -1.097821
1  4.253477   4.131688  -0.946391
6  0.478378   3.791265  -1.071409
6  1.009660   5.070756  -1.136676
1  2.865498   6.190260  -1.171451
1  -0.606104   3.649478  -1.095847
1  0.344534   5.932523  -1.221940
45  0.079895   0.866298  -0.464442
6  -0.874372   -0.648054  0.407187
7  -0.334318   -1.821620  0.874705
7  -2.115606   -0.617307  0.988304
6  -1.201465   -2.461292  1.751653
6  0.883688   -2.466693  0.467843
6  -2.317542   -1.704532  1.825780
6  -3.190652   0.257168  0.623618
1  -0.932455   -3.400670  2.230810
6  0.880466   -3.178848  -0.750029
6  1.972987   -2.511627  1.355358
1  -3.243665   -1.830648  2.383116
6  -3.341585   1.492624  1.271011
6  -4.074696   -0.187894  -0.378004
6  2.018314   -3.919331  -1.078171
6  -0.346397   -3.261049  -1.634558
6  3.082674   -3.278318  0.981387
6  1.960540   -1.834810  2.708741
6  -4.395824   2.311708  0.853939
6  -2.455985   1.907995  2.423052
6  -5.119662   0.662183  -0.747427
6  -3.934613   -1.543292  -1.045112
1  2.038287   -4.487469  -2.013334
6  3.110523   -3.974114  -0.218497
1  -0.965723   -2.370118  -1.434287
6  -0.016663   -3.257346  -3.121091
6  -1.182803   -4.486451  -1.270945
1  3.942740   -3.330552  1.657084
1  1.099563   -1.145843  2.734462
6  3.201288   -0.980914  2.937424
6  1.802123   -2.867360  3.822187
1  -4.537113   3.284994  1.335025
6  -5.272332   1.906654  -0.146072
1  -1.576517   1.242260  2.440779
6  -1.913147   3.320857  2.269486
6  -3.208806   1.740780  3.740394
1  -5.821284   0.346511  -1.526794
1  -2.976905   -1.987975  -0.721439
6  -5.047943   -2.482897  -0.589830
6  -3.887631   -1.451652  -2.566382
1  3.987542   -4.571556  -0.486295
1  0.674123   -2.438787  -3.383096
1  -0.936218   -3.128241  -3.716464
1  0.444847   -4.205542  -3.445925
1  -2.088756   -4.544145  -1.899140
1  -1.504841   -4.466223  -0.216564
1  -0.605492   -5.414651  -1.427891
1  4.119594   -1.590752  3.015169
1  3.098377   -0.416944  3.879169
1  3.330584   -0.245375  2.128219
1  0.886252   -3.471164  3.707729
1  1.755092   -2.371494  4.805849
1  2.655643   -3.568045  3.843479
1  -6.090420   2.564518  -0.454209
1  -1.361417   3.425193  1.320942
1  -1.199489   3.538808  3.080134
1  -2.709132   4.085703  2.307814
1  -4.092469   2.402295  3.786896
1  -2.557590   1.989811  4.594378
1  -3.564095   0.705336  3.877651
1  -5.066917   -2.591914  0.506818
1  -4.920829   -3.486729  -1.028801
1  -6.037370   -2.105052  -0.901319
1  -4.837182   -1.077176  -2.985984
1  -3.712845   -2.449307  -3.004956
1  -3.080994   -0.783722  -2.910714
17  0.945789   1.287260  1.745043
1  2.227758   0.254055  -1.820845
6  -0.413233   0.302631  -2.502057
1  -0.737066   -0.746575  -2.500528
6  -1.313816   1.254205  -1.993227
1  -2.325603   0.982418  -1.673626
1  -1.238139   2.286339  -2.368355
6  0.546786   0.639649  -3.607959
1  1.405589   -0.050336  -3.659520
1  0.040509   0.577719  -4.589415
1  0.944855   1.663767  -3.508878
1  4.787709   2.683453  0.645164
97
E-Me
6  0.433493   -2.054644  -0.807870
6  -0.737928   -2.858723  -0.770776
6  1.658249   -2.681123  -0.538449
6  -0.651004   -4.228949  -0.478649
6  1.733572   -4.045427  -0.263598
1  2.581899   -2.089583  -0.549661
6  0.576499   -4.825905  -0.225990
1  -1.556501   -4.844554  -0.446628
1  2.708565   -4.505408  -0.067414
1  0.633710   -5.895403  -0.005121
6  -2.016910   -2.205435  -1.077477
6  -3.252311   -2.862427  -1.173330
7  -1.944347   -0.877019  -1.307696
6  -4.388660   -2.139684  -1.507727
1  -3.316480   -3.939029  -0.999148
6  -3.029706   -0.184182  -1.647616
6  -4.283950   -0.771973  -1.753736
1  -5.355227   -2.645825  -1.586762
1  -2.861269   0.882068  -1.848051
1  -5.152368   -0.168124  -2.026306
45  0.156773   -0.149078  -1.357858
6  0.301328   0.715464  0.508856
7  1.460991   1.190469  1.062434
7  -0.676926   1.278535  1.280912
6  1.203370   2.077473  2.095461
6  2.794301   0.724767  0.802141
6  -0.137310   2.128912  2.236730
6  -2.086241   0.996736  1.285627
1  2.006135   2.576049  2.634217
6  3.283934   -0.333837  1.590731
6  3.565179   1.357751  -0.187073
1  -0.770360   2.671480  2.935104
6  -2.985677   1.995805  0.875608
6  -2.513997   -0.235143  1.827541
6  4.576900   -0.791911  1.321547
6  2.493859   -0.901380  2.754794
6  4.848802   0.855857  -0.419683
6  3.060954   2.577423  -0.925327
6  -4.353414   1.719593  0.991923
6  -2.540878   3.360918  0.389319
6  -3.889274   -0.460761  1.903563
6  -1.532769   -1.248126  2.391897
1  4.989330   -1.616278  1.911767
6  5.345455   -0.214309  0.316895
1  1.427761   -0.667981  2.584825
6  2.600949   -2.411620  2.910411
6  2.921044   -0.219931  4.054921
1  5.472681   1.318969  -1.190464
1  1.957474   2.573424  -0.893452
6  3.449437   2.595388  -2.396336
6  3.551678   3.842812  -0.224978
1  -5.078791   2.479461  0.683779
6  -4.801735   0.505690  1.489963
1  -1.461320   3.306586  0.167436
6  -3.224114   3.780626  -0.906332
6  -2.782359   4.414500  1.469122
1  -4.258748   -1.407652  2.306470
1  -0.651792   -1.276335  1.722318
6  -1.067353   -0.820358  3.785318
6  -2.078777   -2.666381  2.467370
1  6.352032   -0.593150  0.116185
1  2.301649   -2.943195  1.994863
1  1.942104   -2.751487  3.727373
1  3.623473   -2.728883  3.178904
1  2.314432   -0.580926  4.902809
1  2.818937   0.875672  4.009703
1  3.978929   -0.444571  4.278197
1  4.525416   2.795841  -2.545156
1  2.889294   3.386192  -2.920391
1  3.210234   1.639243  -2.889643
1  3.219040   3.887957  0.825432
1  3.170076   4.741955  -0.736044
1  4.655330   3.893694  -0.226707
1  -5.875325   0.308919  1.568132
1  -3.030134   3.058926  -1.714162
1  -2.817734   4.747968  -1.244049
1  -4.313723   3.909168  -0.783067
1  -3.860513   4.523463  1.681820
1  -2.407666   5.398354  1.141932
1  -2.288449   4.168035  2.423280
1  -0.569083   0.162097  3.791054
1  -0.356312   -1.556611  4.198513
1  -1.928465   -0.764713  4.474506
1  -2.841783   -2.770682  3.258937
1  -1.261502   -3.366715  2.707639
1  -2.526405   -2.993276  1.515521
17  -0.373421   2.183685  -2.101341
1  1.671802   0.151614  -1.322331
6  1.140756   -0.406336  -3.422212
6  -0.182114   -0.785182  -3.489336
1  -0.447060   -1.850198  -3.524191
1  -0.946516   -0.065326  -3.797715
1  1.363097   0.648705  -3.630810
6  2.288237   -1.358736  -3.511952
1  2.638313   -1.399950  -4.558653
1  3.145545   -1.042861  -2.894930
1  2.002533   -2.378525  -3.210762
97
TS-F-Me
6  0.110848   -2.183980  -0.759837
6  -1.152597   -2.830394  -0.812191
6  1.211592   -2.953430  -0.365078
6  -1.274836   -4.192084  -0.500136
6  1.080052   -4.304654  -0.047812
1  2.201268   -2.483809  -0.309345
6  -0.165055   -4.932540  -0.117441
1  -2.253650   -4.681982  -0.546484
1  1.961651   -4.880946  0.254603
1  -0.266402   -5.993911  0.125372
6  -2.293508   -2.000320  -1.195505
6  -3.604718   -2.457737  -1.379198
7  -1.999322   -0.693224  -1.385855
6  -4.594908   -1.565016  -1.763049
1  -3.838347   -3.514861  -1.231975
6  -2.945756   0.163259  -1.776365
6  -4.264284   -0.227467  -1.970113
1  -5.620885   -1.914182  -1.911130
1  -2.599120   1.189369  -1.950374
1  -5.009554   0.507508  -2.282271
45  0.098446   -0.263480  -1.320712
6  0.336757   0.582992  0.602426
7  1.533579   0.956834  1.157657
7  -0.586050   1.186577  1.408028
6  1.349954   1.808116  2.238472
6  2.852726   0.581606  0.728198
6  0.017988   1.946891  2.400308
6  -2.016328   1.068210  1.351963
1  2.189942   2.223983  2.790465
6  3.440692   -0.580207  1.269301
6  3.534096   1.427757  -0.165988
1  -0.566825   2.491831  3.137782
6  -2.771202   2.179052  0.935321
6  -2.609424   -0.125171  1.815777
6  4.731817   -0.905649  0.842269
6  2.743405   -1.423732  2.321406
6  4.822333   1.051778  -0.559968
6  2.944566   2.737204  -0.642486
6  -4.165361   2.064444  0.980356
6  -2.142450   3.489864  0.502715
6  -4.004487   -0.184850  1.827964
6  -1.775194   -1.284544  2.332530
1  5.219614   -1.802694  1.232587
6  5.412588   -0.105289  -0.069083
1  1.665714   -1.449613  2.065938
6  3.246220   -2.860143  2.385596
6  2.896525   -0.801350  3.710972
1  5.373273   1.686327  -1.260769
1  1.844978   2.670051  -0.566362
6  3.255739   3.042329  -2.100989
6  3.429853   3.883680  0.243295
1  -4.781055   2.912787  0.665115
6  -4.775814   0.897563  1.414983
1  -1.080295   3.296199  0.268179
6  -2.763567   4.057092  -0.767806
6  -2.236758   4.524374  1.623277
1  -4.503621   -1.094713  2.171031
1  -0.921169   -1.409553  1.640851
6  -1.218536   -0.991121  3.726068
6  -2.521075   -2.610129  2.367224
1  6.420974   -0.383269  -0.389766
1  3.315343   -3.333706  1.395014
1  2.564127   -3.470076  3.000166
1  4.242773   -2.917254  2.857444
1  2.444592   -1.452967  4.477174
1  2.419638   0.185792  3.796388
1  3.966114   -0.685796  3.960025
1  4.311028   3.331791  -2.251464
1  2.627435   3.877085  -2.448974
1  3.038768   2.182270  -2.753560
1  3.155666   3.743460  1.301244
1  2.994631   4.840055  -0.090508
1  4.529469   3.978743  0.194853
1  -5.867546   0.827610  1.439564
1  -2.711333   3.339100  -1.599548
1  -2.203352   4.951097  -1.086787
1  -3.812901   4.366306  -0.618789
1  -3.291345   4.760316  1.851147
1  -1.742690   5.464384  1.326815
1  -1.771149   4.183118  2.561543
1  -0.558821   -0.109549  3.750215
1  -0.634268   -1.851979  4.093144
1  -2.042259   -0.816918  4.440947
1  -3.290524   -2.626370  3.159483
1  -1.814515   -3.428729  2.581268
1  -3.011926   -2.840179  1.407826
17  -0.190624   2.111893  -2.089129
1  1.697380   -0.137435  -1.496241
6  1.574379   -0.493801  -2.997318
6  0.245185   -0.830954  -3.372954
1  -0.348681   -0.101362  -3.934832
1  0.002666   -1.889913  -3.541929
1  1.888122   0.523423  -3.276441
6  2.680280   -1.514458  -3.019752
1  2.316076   -2.511453  -2.728266
1  3.073419   -1.588931  -4.047499
1  3.520230   -1.240517  -2.358536
97
G-Me
6  -1.644527   -0.005518  1.257129
6  -2.889799   -0.642780  1.508289
6  -1.393346   1.186560  1.946707
6  -3.839887   -0.064877  2.360916
6  -2.334047   1.749793  2.807296
1  -0.432845   1.694329  1.806822
6  -3.569665   1.133637  3.007967
1  -4.799704   -0.561930  2.536964
1  -2.102789   2.684912  3.330713
1  -4.310653   1.578482  3.677890
6  -3.096343   -1.938723  0.862648
6  -4.265160   -2.706066  0.940301
7  -2.035612   -2.390112  0.151209
6  -4.325196   -3.930971  0.291628
1  -5.123025   -2.335974  1.505678
6  -2.090253   -3.571467  -0.471458
6  -3.218171   -4.380253  -0.425880
1  -5.235406   -4.535242  0.345719
1  -1.188497   -3.840960  -1.036369
1  -3.223654   -5.339337  -0.947820
45  -0.478030   -0.957202  -0.063015
6  0.753070   0.543828  -0.607389
7  2.110678   0.639170  -0.741148
7  0.269749   1.572686  -1.380275
6  2.454108   1.644051  -1.636229
6  3.087568   -0.013152  0.088671
6  1.303096   2.219229  -2.045675
6  -1.062866   2.115692  -1.310670
1  3.492200   1.851565  -1.886939
6  3.218477   0.441012  1.417680
6  3.898433   -1.029837  -0.442361
1  1.112614   3.033112  -2.741482
6  -2.146676   1.398834  -1.852893
6  -1.235246   3.348447  -0.650175
6  4.125967   -0.222569  2.244054
6  2.487960   1.670699  1.922543
6  4.795091   -1.657581  0.429323
6  3.888442   -1.399317  -1.909156
6  -3.423045   1.945016  -1.710799
6  -1.937987   0.095182  -2.588864
6  -2.533669   3.859259  -0.556553
6  -0.086853   4.153931  -0.065733
1  4.239059   0.094021  3.285156
6  4.894377   -1.276364  1.760375
1  1.548185   1.767819  1.350357
6  2.108644   1.615625  3.395807
6  3.327747   2.916396  1.638667
1  5.428989   -2.464521  0.049588
1  2.936419   -1.038908  -2.335614
6  3.941862   -2.902584  -2.145683
6  5.051026   -0.712896  -2.625267
1  -4.285766   1.405050  -2.108664
6  -3.617814   3.163512  -1.069824
1  -1.179912   -0.508107  -2.045345
6  -3.174511   -0.780008  -2.695778
6  -1.325611   0.329918  -3.967072
1  -2.698252   4.815895  -0.050831
1  0.802287   3.500915  -0.011438
6  0.255116   5.338471  -0.967928
6  -0.351285   4.651178  1.351202
1  5.593588   -1.791565  2.425566
1  1.564265   0.691658  3.651468
1  1.454998   2.467770  3.648955
1  2.992224   1.685332  4.053244
1  2.801236   3.830129  1.964733
1  3.558399   3.023321  0.565882
1  4.287266   2.867867  2.182873
1  4.924837   -3.329367  -1.878824
1  3.772365   -3.119970  -3.212873
1  3.154722   -3.420122  -1.577196
1  5.032874   0.383863  -2.511757
1  5.032121   -0.940298  -3.704093
1  6.019885   -1.063036  -2.226940
1  -4.627367   3.572082  -0.969436
1  -3.654346   -0.946982  -1.715658
1  -2.888247   -1.764201  -3.102617
1  -3.929161   -0.351342  -3.378367
1  -2.018487   0.907901  -4.604339
1  -1.117346   -0.633713  -4.459393
1  -0.373292   0.880827  -3.908145
1  0.471843   5.031258  -2.003264
1  1.133401   5.884307  -0.584215
1  -0.587902   6.049834  -1.011098
1  -1.190982   5.365148  1.392130
1  0.536001   5.181198  1.736313
1  -0.579499   3.825889  2.042780
17  0.619108   -2.328419  -1.828105
1  -0.879625   -2.339284  2.844032
6  0.067747   -2.673758  2.382067
6  0.649662   -1.582540  1.518389
1  0.886651   -0.696685  2.132513
1  1.571507   -1.930594  1.017343
1  -0.175930   -3.560109  1.768268
6  1.060597   -3.060617  3.469978
1  0.675747   -3.866201  4.116125
1  2.013541   -3.404399  3.032235
1  1.296054   -2.197007  4.116831
97
TSH-Me
6  -1.502025   0.971386  -1.201368
6  -2.322668   2.135529  -1.081200
6  -2.128343   -0.189761  -1.695228
6  -3.677134   2.097354  -1.435088
6  -3.472162   -0.218868  -2.032406
1  -1.518826   -1.088778  -1.820491
6  -4.260858   0.930035  -1.906992
1  -4.294284   2.992040  -1.299870
1  -3.914094   -1.152881  -2.396696
1  -5.321397   0.909482  -2.171082
6  -1.692136   3.321757  -0.514150
6  -2.194549   4.626773  -0.584966
7  -0.511108   3.078976  0.097351
6  -1.460106   5.667892  -0.035936
1  -3.146449   4.817182  -1.086027
6  0.191723   4.077350  0.636524
6  -0.240662   5.395983  0.584073
1  -1.835319   6.693678  -0.093823
1  1.119440   3.787220  1.140794
1  0.365105   6.188633  1.027783
45  -0.002982   1.040344  0.161479
6  0.475042   -0.894909  0.498288
7  1.764796   -1.333648  0.645029
7  -0.275835   -1.888645  1.074981
6  1.817871   -2.511114  1.377658
6  2.911957   -0.746625  0.011078
6  0.540269   -2.853303  1.653822
6  -1.685925   -2.130908  0.901432
1  2.763384   -2.989853  1.625194
6  3.077240   -0.949211  -1.377715
6  3.849353   -0.038970  0.781322
1  0.121834   -3.694541  2.202392
6  -2.626596   -1.511724  1.737386
6  -2.066661   -3.054354  -0.098122
6  4.185322   -0.362337  -1.990826
6  2.139424   -1.836857  -2.175302
6  4.947341   0.518497  0.115576
6  3.747164   0.084420  2.285451
6  -3.978622   -1.805903  1.526840
6  -2.234316   -0.599221  2.873072
6  -3.426388   -3.328583  -0.249841
6  -1.060603   -3.779012  -0.974460
1  4.338668   -0.487981  -3.065940
6  5.108702   0.373289  -1.253889
1  1.114732   -1.666429  -1.794623
6  2.120366   -1.537510  -3.666954
6  2.483657   -3.310912  -1.957995
1  5.689270   1.080164  0.691634
1  2.716573   -0.178973  2.577751
6  3.985049   1.508875  2.769375
6  4.716419   -0.882054  2.962737
1  -4.729672   -1.325701  2.162316
6  -4.378714   -2.702627  0.547541
1  -1.149783   -0.417450  2.814350
6  -2.909984   0.761647  2.767353
6  -2.519128   -1.266621  4.215026
1  -3.747781   -4.044643  -1.013420
1  -0.100970   -3.237064  -0.908433
6  -0.823820   -5.201707  -0.470776
6  -1.450816   -3.822613  -2.448777
1  5.969423   0.825620  -1.755240
1  1.962536   -0.467574  -3.875615
1  1.306104   -2.100046  -4.153322
1  3.058662   -1.845369  -4.160045
1  1.789558   -3.959664  -2.520989
1  2.432128   -3.607799  -0.898343
1  3.506016   -3.521557  -2.317856
1  5.035363   1.823974  2.639407
1  3.748425   1.586594  3.843054
1  3.330520   2.217787  2.238876
1  4.539218   -1.929679  2.666644
1  4.622402   -0.822297  4.059715
1  5.763235   -0.643377  2.703613
1  -5.440896   -2.923976  0.406924
1  -2.706794   1.224249  1.785994
1  -2.515349   1.440518  3.540600
1  -4.004419   0.694124  2.900769
1  -3.598182   -1.452734  4.360662
1  -2.175965   -0.625302  5.043502
1  -2.000185   -2.236611  4.302414
1  -0.497962   -5.223615  0.580447
1  -0.051346   -5.708013  -1.074541
1  -1.750334   -5.797982  -0.542137
1  -2.335279   -4.459030  -2.622046
1  -0.628790   -4.256564  -3.043661
1  -1.672966   -2.825482  -2.862312
17  0.576484   1.342824  2.457747
1  -0.984874   2.335146  -3.427772
6  0.030758   2.319775  -2.990945
6  0.189986   1.139917  -2.045975
1  0.126198   0.191633  -2.600764
1  1.230082   1.182551  -1.641835
1  0.138664   3.268913  -2.435798
6  1.063341   2.274326  -4.105061
1  2.091561   2.252839  -3.703157
1  0.936198   1.374825  -4.731934
1  0.983008   3.148907  -4.770326
97
I-Me
6  4.144477   0.438776  -1.123278
6  3.077763   0.688202  -0.230054
6  3.868003   0.389137  -2.495193
6  1.749288   0.797663  -0.735346
6  2.580167   0.562060  -2.996875
1  4.694521   0.194433  -3.186810
6  1.526379   0.767511  -2.120692
1  0.973316   1.465656  -0.123860
1  2.401711   0.520433  -4.075838
1  0.507570   0.894639  -2.500285
6  3.186345   0.725001  1.241533
6  4.290483   1.178278  1.974133
7  2.068492   0.323414  1.892384
6  4.252497   1.163033  3.362058
1  5.167579   1.568203  1.458357
6  2.034529   0.293409  3.229288
6  3.111625   0.694127  4.007524
1  5.110758   1.523134  3.936341
1  1.098066   -0.080002  3.661128
1  3.044272   0.653737  5.096810
45  0.339184   0.049027  0.707575
6  -1.245092   -0.016066  -0.476162
7  -1.816121   -1.076280  -1.129224
7  -1.957440   1.070038  -0.922953
6  -2.810475   -0.647637  -2.000049
6  -1.662990   -2.468642  -0.795557
6  -2.910277   0.693419  -1.863563
6  -1.884530   2.382801  -0.347838
1  -3.356533   -1.349766  -2.626569
6  -0.566867   -3.196685  -1.277455
6  -2.661382   -3.056228  0.007332
1  -3.569442   1.419796  -2.334983
6  -2.330018   2.552184  0.981777
6  -1.421054   3.459186  -1.123303
6  -0.496663   -4.556418  -0.959615
6  0.530548   -2.569839  -2.104429
6  -2.550539   -4.419225  0.283816
6  -3.829386   -2.271379  0.573641
6  -2.256728   3.834580  1.527195
6  -2.960190   1.423931  1.773808
6  -1.378007   4.724837  -0.527548
6  -1.004024   3.317085  -2.572399
1  0.352478   -5.145822  -1.321080
6  -1.480618   -5.166440  -0.194941
1  0.314933   -1.491996  -2.183939
6  1.882367   -2.704539  -1.412007
6  0.562751   -3.136098  -3.519241
1  -3.311865   -4.903256  0.903508
1  -3.595228   -1.197084  0.473063
6  -4.044254   -2.533495  2.059877
6  -5.114375   -2.544931  -0.203983
1  -2.589229   3.996846  2.556272
6  -1.780946   4.911497  0.786063
1  -2.502961   0.472904  1.452662
6  -2.698991   1.507053  3.269202
6  -4.457529   1.362250  1.476113
1  -1.018457   5.579108  -1.110382
1  -0.972429   2.239782  -2.812713
6  -2.032637   3.959418  -3.499874
6  0.384870   3.890452  -2.832341
1  -1.409350   -6.232340  0.040766
1  1.843301   -2.271358  -0.395919
1  2.663553   -2.171541  -1.981943
1  2.192771   -3.760422  -1.325696
1  1.330478   -2.624679  -4.125104
1  -0.408829   -3.014323  -4.027220
1  0.805325   -4.213112  -3.521490
1  -4.378559   -3.567410  2.252871
1  -4.832637   -1.867485  2.451462
1  -3.118450   -2.349962  2.626632
1  -5.009502   -2.331889  -1.280079
1  -5.942178   -1.925922  0.183070
1  -5.414774   -3.603064  -0.105623
1  -1.733949   5.906995  1.237142
1  -1.619637   1.592181  3.477215
1  -3.054265   0.586661  3.760110
1  -3.220770   2.355215  3.746815
1  -4.963489   2.288567  1.802515
1  -4.925847   0.515850  2.007588
1  -4.659551   1.234237  0.398381
1  -3.039469   3.532356  -3.360646
1  -1.748874   3.824024  -4.556805
1  -2.110391   5.044107  -3.312002
1  0.393599   4.990012  -2.741962
1  0.720393   3.645748  -3.854352
1  1.131922   3.488224  -2.129018
17  -0.635221   -1.414553  2.277084
1  4.891350   -1.343431  0.813557
6  5.623286   -1.291119  -0.013282
6  5.542173   0.074586  -0.692721
1  5.995769   0.839725  -0.040832
1  6.188720   0.059253  -1.588420
1  5.298472   -2.061606  -0.736979
6  7.013439   -1.594762  0.506664
1  7.076801   -2.597354  0.956553
1  7.766016   -1.543034  -0.298689
1  7.313403   -0.865824  1.279986
106
J-Me
6  -4.098086   -0.007203  -0.135663
6  -3.190937   -0.327810  -1.164666
6  -4.513440   1.324373  -0.016092
6  -2.719279   0.680005  -2.013088
6  -4.058228   2.316642  -0.875880
1  -5.202109   1.585220  0.796973
6  -3.150280   1.993883  -1.881013
1  -4.404587   3.347599  -0.754499
1  -2.774872   2.765056  -2.560776
6  -2.759654   -1.728223  -1.399961
6  -3.732495   -2.700022  -1.671458
7  -1.450794   -2.053781  -1.361065
6  -3.370079   -4.026221  -1.849181
1  -4.777453   -2.387949  -1.740886
6  -1.111452   -3.342402  -1.515349
6  -2.023720   -4.359882  -1.751797
1  -4.127182   -4.787620  -2.056407
1  -0.046052   -3.573469  -1.428414
1  -1.674233   -5.388926  -1.859085
45  0.096605   -0.699875  -0.615171
6  1.341811   0.442906  0.445022
7  1.091816   1.693113  0.959241
7  2.497123   0.068653  1.081999
6  2.046710   2.054009  1.900252
6  0.079615   2.636874  0.571734
6  2.924776   1.032461  1.983525
6  3.320844   -1.063301  0.780986
1  2.003784   3.012888  2.412494
6  0.275617   3.367703  -0.616932
6  -0.974074   2.922601  1.459036
1  3.816577   0.888925  2.590323
6  3.073221   -2.291364  1.410824
6  4.383922   -0.872226  -0.123080
6  -0.636464   4.379723  -0.921987
6  1.491882   3.160203  -1.493434
6  -1.856123   3.949141  1.105217
6  -1.136698   2.233136  2.797583
6  3.920051   -3.358527  1.092879
6  1.974399   -2.465032  2.434204
6  5.210231   -1.965056  -0.392454
6  4.638018   0.461491  -0.800264
1  -0.502527   4.966960  -1.835936
6  -1.693928   4.670592  -0.068570
1  1.856514   2.135879  -1.314492
6  1.180285   3.274367  -2.978500
6  2.613148   4.116251  -1.092835
1  -2.687597   4.189837  1.775968
1  -0.494095   1.336384  2.794805
6  -2.560473   1.743342  3.026213
6  -0.703267   3.155985  3.934602
1  3.750639   -4.332815  1.562935
6  4.976488   -3.199765  0.204217
1  1.323710   -1.574699  2.400293
6  1.077591   -3.654398  2.123140
6  2.572428   -2.563206  3.834641
1  6.045373   -1.850633  -1.091147
1  3.744500   1.094172  -0.645974
6  5.824112   1.181431  -0.164515
6  4.834631   0.328929  -2.306380
1  -2.394752   5.473150  -0.319675
1  0.307109   2.658840  -3.252553
1  2.038729   2.934095  -3.582096
1  0.969840   4.314831  -3.280203
1  3.514951   3.942693  -1.705822
1  2.898370   3.990555  -0.034779
1  2.304459   5.167081  -1.234686
1  -3.274449   2.578252  3.145283
1  -2.607149   1.136863  3.945966
1  -2.887870   1.108602  2.189074
1  0.339942   3.496800  3.829657
1  -0.790516   2.641518  4.906041
1  -1.338506   4.058349  3.977982
1  5.628862   -4.047624  -0.025050
1  0.642541   -3.556867  1.114747
1  0.236240   -3.688079  2.833692
1  1.616020   -4.616437  2.190452
1  3.218906   -3.453043  3.937348
1  1.775671   -2.638523  4.592831
1  3.186010   -1.678718  4.076213
1  5.679349   1.337086  0.916600
1  5.978601   2.169313  -0.630522
1  6.753296   0.599344  -0.295327
1  5.772841   -0.196170  -2.555004
1  4.894684   1.327155  -2.772326
1  4.003756   -0.218791  -2.780142
17  -1.102301   -0.928820  1.468780
1  -6.706343   -0.448564  0.780634
6  -6.092918   -1.362337  0.670079
6  -4.620481   -1.008754  0.857370
1  -4.485174   -0.592285  1.874241
1  -4.004477   -1.923812  0.849593
1  -6.268686   -1.697597  -0.370077
6  -6.555013   -2.428544  1.642939
1  -7.623407   -2.667604  1.524251
1  -5.985096   -3.363382  1.503661
1  -6.397923   -2.109192  2.687101
1  -2.019471   0.411006  -2.805194
6  1.015665   -0.288804  -2.541422
1  1.644434   0.606998  -2.447652
6  1.502135   -1.477502  -1.970132
1  2.494663   -1.537276  -1.512842
1  1.170200   -2.430621  -2.409088
6  0.178308   -0.308694  -3.787507
1  -0.403073   0.617485  -3.927741
1  0.822546   -0.404544  -4.681796
1  -0.523422   -1.159916  -3.800571
30
Monoalkyl product-Me
6  1.417710   -1.516107  0.870207
6  0.743758   -0.782216  -0.118799
6  2.734153   -0.204032  -1.105828
6  3.488291   -0.907693  -0.168495
6  2.805554   -1.576950  0.842389
1  0.851253   -2.011199  1.663954
1  3.237775   0.336936  -1.918639
1  4.579323   -0.923627  -0.229872
1  3.349741   -2.135920  1.609482
6  -0.741062   -0.712858  -0.110669
6  -1.447850   0.497004  -0.296417
6  -1.455707   -1.898326  0.103456
6  -2.844599   0.456958  -0.252340
6  -2.846359   -1.916865  0.133012
1  -0.901574   -2.835410  0.223390
6  -3.545484   -0.728124  -0.044903
1  -3.396633   1.393858  -0.386865
1  -3.379247   -2.859103  0.288787
1  -4.639204   -0.719944  -0.024004
7  1.408362   -0.140660  -1.086615
6  -0.755184   1.819438  -0.472851
1  -0.015558   1.742581  -1.286514
1  -1.498964   2.574405  -0.786509
6  -0.052133   2.314461  0.788567
1  0.633758   1.531213  1.163089
1  -0.801221   2.456949  1.590084
6  0.722022   3.594379  0.546129
1  1.509021   3.436487  -0.211483
1  0.064785   4.396926  0.169783
1  1.209543   3.966052  1.460872
97
TS-K-Me
6  4.123352   0.618019  -1.012631
6  3.050450   0.558001  -0.083654
6  3.827032   0.750857  -2.372781
6  1.702247   0.565013  -0.558098
6  2.516364   0.827033  -2.831451
1  4.655237   0.793655  -3.087626
6  1.467039   0.741326  -1.928857
1  0.624721   1.481522  0.318035
1  2.314130   0.946659  -3.901171
1  0.438406   0.793614  -2.298730
6  3.174894   0.435478  1.381829
6  4.321806   0.649511  2.161462
7  2.014636   0.116866  2.008683
6  4.263128   0.521504  3.542760
1  5.262900   0.934575  1.697635
6  1.956076   -0.018439  3.336027
6  3.062787   0.171850  4.151052
1  5.161538   0.698178  4.141060
1  0.975856   -0.308606  3.731778
1  2.975794   0.052245  5.232862
45  0.309964   0.020662  0.783037
6  -1.239942   0.022265  -0.479761
7  -1.759222   -1.018494  -1.200387
7  -1.938241   1.115370  -0.917765
6  -2.709613   -0.566353  -2.106997
6  -1.608237   -2.423978  -0.911500
6  -2.833585   0.767475  -1.922469
6  -1.915428   2.410851  -0.297501
1  -3.213457   -1.249668  -2.787523
6  -0.501970   -3.133550  -1.399966
6  -2.622063   -3.041763  -0.151409
1  -3.474564   1.506990  -2.398640
6  -2.455520   2.534969  1.001199
6  -1.405369   3.512141  -1.004822
6  -0.427078   -4.500808  -1.118160
6  0.581459   -2.482629  -2.225154
6  -2.503585   -4.410635  0.091714
6  -3.823953   -2.289566  0.387213
6  -2.441458   3.802064  1.585913
6  -3.113559   1.374292  1.719808
6  -1.425531   4.760239  -0.372748
6  -0.863220   3.415208  -2.415363
1  0.428793   -5.075048  -1.487816
6  -1.417697   -5.136516  -0.383722
1  0.397768   -1.398501  -2.216254
6  1.965592   -2.700633  -1.626125
6  0.519521   -2.938102  -3.678744
1  -3.274703   -4.917305  0.680071
1  -3.592475   -1.210766  0.350044
6  -4.126629   -2.623570  1.843400
6  -5.058918   -2.534653  -0.477111
1  -2.849251   3.929690  2.592542
6  -1.929907   4.905446  0.910833
1  -2.625089   0.439791  1.397206
6  -2.939162   1.412220  3.229692
6  -4.589977   1.299239  1.334568
1  -1.032457   5.634182  -0.902176
1  -0.819422   2.347718  -2.691317
6  -1.795869   4.105699  -3.406925
6  0.551826   3.973427  -2.520601
1  -1.342372   -6.207475  -0.173748
1  1.995699   -2.372420  -0.572378
1  2.720892   -2.118799  -2.183159
1  2.268027   -3.761594  -1.663670
1  1.273472   -2.405160  -4.283523
1  -0.472179   -2.742479  -4.121210
1  0.718000   -4.020162  -3.773920
1  -4.484976   -3.660651  1.962509
1  -4.929189   -1.967060  2.221902
1  -3.234323   -2.481872  2.472649
1  -4.895652   -2.266675  -1.533401
1  -5.915390   -1.944282  -0.108322
1  -5.350341   -3.599440  -0.448844
1  -1.931400   5.888437  1.390788
1  -1.874691   1.499151  3.502885
1  -3.312542   0.473666  3.670247
1  -3.496176   2.240273  3.702436
1  -5.128532   2.208177  1.657399
1  -5.074020   0.430923  1.814115
1  -4.727816   1.199928  0.243778
1  -2.816180   3.688772  -3.373011
1  -1.420105   4.000787  -4.438243
1  -1.877164   5.184931  -3.191150
1  0.570734   5.064790  -2.359438
1  0.969398   3.784063  -3.523851
1  1.227389   3.507971  -1.784202
17  -0.801715   -1.453444  2.298370
1  5.266574   -1.292402  0.611367
6  5.923635   -0.987034  -0.223198
6  5.580184   0.431249  -0.673157
1  5.936660   1.168230  0.067809
1  6.173382   0.656354  -1.577388
1  5.678196   -1.678648  -1.050533
6  7.376735   -1.129410  0.181594
1  7.629152   -2.162958  0.464088
1  8.053903   -0.833129  -0.637627
1  7.613267   -0.484037  1.046052
97
L-Me
6  4.144760   0.520679  -0.977202
6  3.063871   0.408101  -0.059910
6  3.857236   0.668067  -2.337518
6  1.719956   0.407736  -0.543033
6  2.549450   0.708930  -2.807084
1  4.690579   0.750134  -3.043122
6  1.494912   0.588145  -1.913183
1  0.439310   1.482220  0.603305
1  2.353449   0.837040  -3.877181
1  0.471637   0.621306  -2.300021
6  3.178209   0.247999  1.403495
6  4.328604   0.383647  2.196445
7  2.002647   -0.040097  2.019484
6  4.256796   0.216762  3.573111
1  5.286207   0.635807  1.749384
6  1.930863   -0.212737  3.341674
6  3.039925   -0.096010  4.167229
1  5.160218   0.333132  4.178688
1  0.936167   -0.471377  3.723492
1  2.942042   -0.244747  5.244437
45  0.297635   -0.032622  0.789232
6  -1.222693   0.070469  -0.499132
7  -1.774786   -0.938882  -1.241287
7  -1.842422   1.203262  -0.952404
6  -2.665963   -0.429025  -2.177382
6  -1.731835   -2.349157  -0.931786
6  -2.719453   0.909327  -1.989857
6  -1.784682   2.489235  -0.311985
1  -3.186347   -1.079685  -2.877197
6  -0.661012   -3.144142  -1.365477
6  -2.813811   -2.883355  -0.201603
1  -3.301076   1.685513  -2.483436
6  -2.402663   2.627547  0.950537
6  -1.161098   3.567292  -0.961640
6  -0.688331   -4.506240  -1.050577
6  0.492627   -2.593579  -2.167784
6  -2.796054   -4.250389  0.076210
6  -3.988643   -2.047288  0.266272
6  -2.357459   3.883564  1.556868
6  -3.168792   1.497694  1.607734
6  -1.156147   4.806182  -0.311240
6  -0.512875   3.455679  -2.325109
1  0.139707   -5.143958  -1.377033
6  -1.743625   -5.057490  -0.338844
1  0.372663   -1.501953  -2.214404
6  1.834271   -2.865503  -1.497944
6  0.468631   -3.110649  -3.601801
1  -3.621643   -4.690497  0.643834
1  -3.696614   -0.985699  0.198645
6  -4.360134   -2.309321  1.721185
6  -5.202580   -2.256056  -0.636476
1  -2.824356   4.020272  2.536289
6  -1.740647   4.964569  0.936219
1  -2.719111   0.541079  1.293334
6  -3.081685   1.498057  3.125881
6  -4.623230   1.522930  1.140328
1  -0.676269   5.662354  -0.796121
1  -0.519369   2.392497  -2.619024
6  -1.306921   4.229647  -3.373921
6  0.942189   3.911754  -2.297026
1  -1.746811   -6.125345  -0.101592
1  1.842673   -2.495763  -0.457624
1  2.647218   -2.355554  -2.043615
1  2.071179   -3.943448  -1.477404
1  1.276599   -2.646311  -4.192906
1  -0.490075   -2.882978  -4.097926
1  0.611572   -4.204772  -3.641961
1  -4.786476   -3.317394  1.862890
1  -5.132191   -1.591492  2.049196
1  -3.481586   -2.202380  2.375999
1  -4.983834   -2.037543  -1.694235
1  -6.038055   -1.606564  -0.323305
1  -5.554565   -3.301318  -0.582864
1  -1.720098   5.939982  1.430949
1  -2.033000   1.520218  3.463841
1  -3.531662   0.572681  3.520397
1  -3.620518   2.346803  3.582639
1  -5.118917   2.459934  1.450996
1  -5.187959   0.681248  1.577207
1  -4.707225   1.450119  0.042060
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1  1.024590   4.992168  -2.088549
1  1.423616   3.729578  -3.272484
1  1.522396   3.369636  -1.531700
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1  5.369164   -1.420520  0.545688
6  6.018615   -1.032565  -0.260493
6  5.605962   0.390502  -0.630868
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1  5.817193   -1.684758  -1.130503
6  7.473699   -1.125760  0.151835
1  7.776252   -2.160336  0.375235
1  8.141049   -0.747396  -0.641204
1  7.671591   -0.521987  1.055148
106
M-Me
6  -0.801156   -1.443069  -1.061529
6  -2.196881   -1.156206  -0.995990
6  -0.361925   -2.769664  -0.982375
6  -3.123570   -2.221409  -0.775182
6  -1.269369   -3.803590  -0.815412
1  0.706839   -2.991848  -1.065008
6  -2.628088   -3.525046  -0.689210
1  -0.917820   -4.840014  -0.757979
1  -3.318265   -4.355769  -0.530292
6  -2.551245   0.263409  -1.245256
6  -3.835745   0.801562  -1.451156
7  -1.489329   1.103685  -1.349169
6  -3.997059   2.157424  -1.711284
1  -4.718478   0.170512  -1.432864
6  -1.640115   2.400141  -1.606981
6  -2.885776   2.988713  -1.782790
1  -5.003002   2.557898  -1.868437
1  -0.705188   2.973790  -1.678019
1  -2.971214   4.058911  -1.983130
45  0.460414   0.091348  -1.408581
6  1.056679   0.309515  0.556550
7  2.098188   -0.358456  1.140472
7  0.806653   1.338446  1.427509
6  2.529580   0.278573  2.292392
6  2.552660   -1.683885  0.825610
6  1.719121   1.341784  2.472959
6  -0.296468   2.262197  1.440072
1  3.359888   -0.105821  2.880697
6  1.938345   -2.754870  1.500905
6  3.611065   -1.858454  -0.080370
1  1.682825   2.096855  3.254918
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6  -1.562424   1.773365  1.833339
6  2.374941   -4.046263  1.190849
6  0.931092   -2.536046  2.615234
6  4.003418   -3.170227  -0.359821
6  4.352970   -0.675537  -0.663243
6  -1.154882   4.497973  1.289591
6  1.317645   4.209951  0.958592
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6  3.384215   -4.252896  0.257998
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6  1.619689   -2.718638  3.967671
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6  -1.259009   0.151010  3.715330
6  -3.213199   -0.127597  2.214476
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1  -0.954324   -3.231018  3.411998
1  -0.066349   -4.488539  2.535725
1  0.934488   -2.462602  4.793775
1  2.518887   -2.088898  4.065076
1  1.936625   -3.767118  4.107792
1  5.667884   -1.632430  -2.133153
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1  4.022582   -1.279546  -2.732229
1  5.207448   -0.059720  1.263062
1  6.070135   0.563521  -0.162062
1  6.245957   -1.148581  0.310674
1  -3.262791   4.730507  1.666237
1  0.983280   4.689796  -1.139913
1  2.391935   5.483535  -0.418742
1  0.769136   6.089620  -0.031747
1  1.183083   5.775817  2.474611
1  2.846719   5.294970  2.063013
1  1.841724   4.251874  3.098494
1  -0.188929   0.384546  3.829508
1  -1.409687   -0.891608  4.045584
1  -1.821102   0.804952  4.405144
1  -3.829641   0.335855  3.004729
1  -3.268362   -1.219991  2.359420
1  -3.674925   0.108633  1.243245
17  1.933463   2.115438  -1.604543
1  1.708119   -0.820398  -1.533104
6  0.650192   0.386492  -3.747776
6  -0.214673   -0.643643  -3.497841
1  0.116040   -1.682284  -3.613191
1  -1.296016   -0.485076  -3.473119
1  0.247761   1.405211  -3.825111
6  2.035329   0.186860  -4.260167
1  2.062904   0.435520  -5.336101
1  2.753236   0.843972  -3.746757
1  2.352782   -0.862209  -4.146039
6  -4.615975   -2.026427  -0.633307
1  -5.046954   -1.745967  -1.615929
1  -4.811154   -1.159641  0.023757
6  -5.426923   -3.192499  -0.089121
1  -5.359222   -4.059875  -0.769700
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6  -6.884148   -2.817222  0.102034
1  -7.341313   -2.490541  -0.847693
1  -7.480811   -3.660943  0.481458
1  -6.994581   -1.985226  0.818240
106
TSN-Me
6  -1.008522   -1.527989  -0.771341
6  -2.402781   -1.222942  -0.818121
6  -0.602067   -2.804514  -0.373633
6  -3.361436   -2.216190  -0.459482
6  -1.537493   -3.771012  -0.033069
1  0.467424   -3.041692  -0.332580
6  -2.896572   -3.474936  -0.073619
1  -1.214052   -4.772308  0.272126
1  -3.607401   -4.254896  0.205150
6  -2.702954   0.163377  -1.223252
6  -3.956769   0.730229  -1.511699
7  -1.601066   0.951279  -1.346103
6  -4.059290   2.067701  -1.873933
1  -4.860303   0.130504  -1.482092
6  -1.695497   2.228736  -1.715227
6  -2.912490   2.844789  -1.971191
1  -5.043053   2.492548  -2.093953
1  -0.736713   2.748695  -1.830404
1  -2.943943   3.898542  -2.256965
45  0.256283   -0.081444  -1.313252
6  1.022329   0.369974  0.607286
7  2.187464   -0.124037  1.136628
7  0.723252   1.418811  1.429621
6  2.616262   0.633866  2.217831
6  2.943108   -1.263485  0.691721
6  1.692957   1.599155  2.405987
6  -0.447019   2.250162  1.399307
1  3.536164   0.403390  2.750762
6  2.645213   -2.531006  1.233302
6  4.002992   -1.059585  -0.210936
1  1.612889   2.386004  3.152472
6  -0.315979   3.592651  1.001665
6  -1.665098   1.708718  1.861420
6  3.413026   -3.614870  0.796732
6  1.581543   -2.725854  2.298102
6  4.735985   -2.180356  -0.614825
6  4.403777   0.319472  -0.685577
6  -1.459273   4.397719  1.062848
6  1.005039   4.202534  0.573586
6  -2.774725   2.555717  1.886742
6  -1.764290   0.278003  2.361691
1  3.207532   -4.614684  1.188097
6  4.440725   -3.445246  -0.124617
1  0.746644   -2.037430  2.063227
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6  5.537968   0.863267  0.181629
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1  5.025430   -4.309705  -0.452876
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1  0.110965   -4.164321  2.969583
1  1.740531   -4.843623  2.805441
1  1.370451   -2.579091  4.459986
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1  5.790029   -0.117149  -2.328775
1  4.871480   1.399506  -2.496357
1  4.063809   -0.148260  -2.790953
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1  5.826280   1.874440  -0.149970
1  6.431914   0.217896  0.111076
1  -3.557887   4.531876  1.527700
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1  1.892205   5.388971  -0.998292
1  0.278975   5.958440  -0.525084
1  0.939562   5.895745  1.945116
1  2.578849   5.450806  1.412204
1  1.737385   4.468895  2.635070
1  -0.058399   0.374828  3.759437
1  -1.240644   -0.907476  4.106367
1  -1.638657   0.789858  4.472176
1  -3.772714   0.207787  3.223414
1  -3.176898   -1.342772  2.587090
1  -3.725913   -0.080364  1.462260
17  1.627760   1.906602  -2.053586
1  1.551649   -1.020449  -1.501772
6  1.185160   -1.183745  -3.034360
6  -0.040713   -0.554551  -3.375295
1  -0.017023   0.401305  -3.910804
1  -0.924957   -1.186057  -3.542887
1  2.088293   -0.618453  -3.309060
6  1.345692   -2.678423  -3.083496
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1  1.572576   -2.976833  -4.120889
1  2.172086   -3.034494  -2.444884
6  -4.853034   -1.978573  -0.453929
1  -5.200321   -1.798075  -1.491087
1  -5.070268   -1.038338  0.087622
6  -5.735433   -3.059013  0.150401
1  -5.615721   -4.006850  -0.404526
1  -5.406346   -3.270542  1.185085
6  -7.196863   -2.652726  0.146312
1  -7.554777   -2.454930  -0.878526
1  -7.842909   -3.433658  0.575845
1  -7.359432   -1.730837  0.730289
106
O-Me
6  -1.523837   0.085066  0.678687
6  -2.844253   -0.455423  0.618817
6  -1.304873   1.226435  1.454918
6  -3.909585   0.155818  1.340315
6  -2.343318   1.831748  2.147481
1  -0.296257   1.644259  1.527915
6  -3.627507   1.301292  2.087982
1  -2.156211   2.722406  2.758897
1  -4.421867   1.788548  2.656504
6  -2.947609   -1.694951  -0.173287
6  -4.113977   -2.353000  -0.598277
7  -1.744850   -2.220885  -0.536485
6  -4.031447   -3.546236  -1.305289
1  -5.093266   -1.928423  -0.402560
6  -1.663718   -3.373986  -1.204795
6  -2.786857   -4.090285  -1.596258
1  -4.949087   -4.045803  -1.629520
1  -0.644399   -3.694668  -1.455266
1  -2.676474   -5.032263  -2.137130
45  -0.108837   -0.910291  -0.323572
6  1.320140   0.513386  -0.513180
7  2.670615   0.523662  -0.293661
7  1.115552   1.573577  -1.363095
6  3.291462   1.510792  -1.047322
6  3.364065   -0.194090  0.742364
6  2.320832   2.159905  -1.725664
6  -0.156310   2.194503  -1.630207
1  4.369100   1.656492  -1.016377
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6  4.212185   -1.265950  0.416054
1  2.363728   2.990068  -2.427105
6  -1.094619   1.550495  -2.459044
6  -0.429361   3.425922  -1.002785
6  3.816404   -0.466129  3.086378
6  2.442641   1.533054  2.393618
6  4.818030   -1.949815  1.476041
6  4.551011   -1.640441  -1.010394
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6  4.608139   -1.571775  2.795161
1  1.699692   1.704591  1.595446
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1  5.470977   -2.799559  1.255627
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1  1.037449   2.389754  3.799676
1  2.360441   1.506775  4.581618
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1  1.666626   5.019294  -1.813597
1  1.971647   5.815489  -0.247688
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1  0.758734   5.093740  1.824209
1  -0.494969   3.827306  1.768059
17  1.351197   -2.322619  -1.775520
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6  -0.294692   -2.663629  2.151374
6  0.544202   -1.604029  1.481201
1  0.664203   -0.734525  2.150575
1  1.544190   -2.000540  1.226177
1  -0.420323   -3.534378  1.482349
6  0.366571   -3.106684  3.449600
1  -0.213487   -3.889248  3.965184
1  1.378924   -3.504599  3.262922
1  0.477247   -2.257987  4.147594
6  -5.316101   -0.393804  1.375701
1  -5.774519   -0.303995  0.370356
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6  -6.286183   0.218556  2.373457
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6  -7.631680   -0.481369  2.344184
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1  -8.342765   -0.038190  3.058160
1  -8.091372   -0.425296  1.342529
106
TSP-Me
6  -1.420828   -0.284626  1.104026
6  -2.646286   -0.992093  0.882436
6  -1.500342   1.016336  1.628210
6  -3.896343   -0.347708  1.061775
6  -2.720554   1.623308  1.860704
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6  -2.475484   -2.354732  0.365942
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7  -1.279895   -2.560628  -0.234281
6  -3.006524   -4.686299  0.038670
1  -4.299440   -3.299314  1.054459
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1  -1.475637   -5.827323  -1.004641
45  -0.016985   -0.901010  -0.217964
6  1.210173   0.689218  -0.464519
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6  3.110918   1.654619  -1.267722
6  3.367305   -0.450646  0.029578
6  2.085960   2.490438  -1.543570
6  -0.255635   2.711214  -0.840095
1  4.174944   1.720195  -1.486610
6  3.558959   -0.394595  1.428624
6  3.963925   -1.440679  -0.768755
1  2.054642   3.446001  -2.062759
6  -1.353780   2.557806  -1.699598
6  -0.238894   3.686056  0.183184
6  4.320126   -1.404012  2.019995
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6  4.728251   -2.420051  -0.123452
6  3.860057   -1.450161  -2.278050
6  -2.461928   3.388337  -1.495156
6  -1.371398   1.574884  -2.844495
6  -1.360444   4.503528  0.326700
6  0.951500   3.895407  1.102048
1  4.478975   -1.399485  3.101642
6  4.893976   -2.413683  1.253140
1  2.039679   1.033652  1.863654
6  2.852663   0.430550  3.736828
6  3.951266   1.975883  2.123482
1  5.200177   -3.205923  -0.721284
1  3.022206   -0.791574  -2.564648
6  3.531691   -2.832310  -2.827910
6  5.148393   -0.918603  -2.902351
1  -3.333728   3.276718  -2.148107
6  -2.469415   4.352874  -0.499000
1  -0.444444   0.981796  -2.808215
6  -2.525731   0.587181  -2.719426
6  -1.398758   2.304394  -4.183812
1  -1.368518   5.271315  1.107444
1  1.602308   3.007679  1.020593
6  1.771207   5.110561  0.672290
6  0.567087   4.035458  2.572009
1  5.486966   -3.195290  1.737157
1  2.270378   -0.491702  3.890395
1  2.320474   1.253311  4.242764
1  3.820471   0.312341  4.254271
1  3.562101   2.826628  2.710271
1  4.057716   2.311094  1.079390
1  4.959886   1.738946  2.505182
1  4.373513   -3.537810  -2.713842
1  3.301830   -2.765063  -3.903741
1  2.643720   -3.251809  -2.330027
1  5.391971   0.100819  -2.559284
1  5.065982   -0.892451  -4.001595
1  6.009221   -1.561921  -2.647116
1  -3.343088   4.997801  -0.365432
1  -2.490019   0.065021  -1.747136
1  -2.453774   -0.179146  -3.508455
1  -3.508508   1.083992  -2.813583
1  -2.325377   2.890632  -4.317005
1  -1.340520   1.581603  -5.014184
1  -0.548432   3.000496  -4.283262
1  2.114558   5.034465  -0.370955
1  2.662014   5.228404  1.312740
1  1.172289   6.034183  0.757505
1  0.015511   4.971049  2.766164
1  1.474961   4.068245  3.198579
1  -0.057574   3.201161  2.930519
17  0.470681   -1.329700  -2.518102
1  -1.575113   -1.892557  3.231413
6  -0.595851   -2.236977  2.850735
6  0.050851   -1.172788  1.979916
1  0.331703   -0.299912  2.588458
1  1.011403   -1.598252  1.602314
1  -0.801187   -3.145767  2.257101
6  0.303003   -2.604244  4.020267
1  1.290701   -2.956894  3.674581
1  0.475480   -1.736626  4.680400
1  -0.138301   -3.402389  4.638569
6  -5.197497   -0.987337  0.638337
1  -5.013410   -1.609943  -0.257645
1  -5.547996   -1.699671  1.413454
6  -6.344149   -0.039579  0.318588
1  -6.652816   0.509928  1.225968
1  -5.992154   0.730239  -0.393405
6  -7.540759   -0.775896  -0.252144
1  -7.911308   -1.542667  0.449746
1  -8.378691   -0.095631  -0.469265
1  -7.282432   -1.293756  -1.191303
106
Q-Me
6  -2.006648   -2.179354  -1.432750
6  -2.469074   -0.861075  -1.667919
6  -2.773057   -3.022843  -0.623606
6  -3.703707   -0.421467  -1.144164
6  -3.969857   -2.582695  -0.074608
1  -2.423814   -4.034901  -0.409069
6  -4.437999   -1.303669  -0.344708
1  -4.550229   -3.251091  0.568834
1  -5.387335   -0.981922  0.089951
6  -1.581124   0.067670  -2.418692
6  -1.958850   0.649933  -3.631262
7  -0.341857   0.289667  -1.904110
6  -1.083423   1.490528  -4.308920
1  -2.944092   0.416295  -4.043205
6  0.505829   1.095224  -2.566724
6  0.175296   1.721333  -3.760158
1  -1.374224   1.945941  -5.259335
1  1.496791   1.214699  -2.113794
1  0.909472   2.362696  -4.254103
45  0.303550   -0.974722  -0.406657
6  1.070368   0.220730  0.911309
7  0.408404   0.661205  2.026917
7  2.380324   0.570420  1.142204
6  1.289521   1.208034  2.950879
6  -1.017664   0.774678  2.129518
6  2.522994   1.146276  2.399740
6  3.400070   0.629120  0.131468
1  0.949133   1.587374  3.912509
6  -1.629200   1.888293  1.515319
6  -1.743006   -0.174004  2.865980
1  3.494813   1.457485  2.777209
6  4.169614   -0.509096  -0.161173
6  3.603952   1.861037  -0.528094
6  -3.007470   2.039630  1.674871
6  -0.816978   2.941394  0.785859
6  -3.123653   0.019520  2.984386
6  -1.077981   -1.339958  3.561583
6  5.100528   -0.413058  -1.200598
6  4.087495   -1.766497  0.670060
6  4.549952   1.902556  -1.555792
6  2.921403   3.144761  -0.091868
1  -3.511079   2.906339  1.232113
6  -3.749199   1.113772  2.403583
1  0.124297   2.464957  0.462881
6  -1.470619   3.476226  -0.479870
6  -0.463366   4.087739  1.731312
1  -3.716828   -0.703447  3.553570
1  -0.055104   -1.436441  3.158435
6  -1.778305   -2.658927  3.266377
6  -0.991853   -1.086221  5.064298
1  5.704692   -1.289335  -1.455032
6  5.278555   0.770971  -1.904099
1  3.128016   -1.760603  1.211844
6  4.099390   -3.037140  -0.164950
6  5.217769   -1.770384  1.697109
1  4.728154   2.844290  -2.085347
1  2.071014   2.877578  0.557269
6  3.883627   3.986296  0.745887
6  2.367948   3.981380  -1.238420
1  -4.827826   1.255294  2.528534
1  -1.663160   2.671083  -1.207592
1  -0.803477   4.207497  -0.966847
1  -2.423383   3.996770  -0.280100
1  0.182793   4.829690  1.229707
1  0.066839   3.731388  2.629504
1  -1.376169   4.610402  2.068012
1  -2.793285   -2.700929  3.700808
1  -1.200111   -3.495854  3.690881
1  -1.844655   -2.824482  2.179877
1  -0.449037   -0.155153  5.299005
1  -0.470560   -1.916017  5.569635
1  -1.997586   -1.001096  5.513284
1  6.009274   0.820223  -2.716876
1  3.319408   -3.000360  -0.942180
1  3.878946   -3.906651  0.474522
1  5.076488   -3.216224  -0.648227
1  6.206806   -1.785904  1.204578
1  5.149953   -2.659973  2.344887
1  5.186545   -0.878283  2.345570
1  4.291350   3.421924  1.599515
1  3.378037   4.883497  1.141691
1  4.740712   4.323205  0.136890
1  3.164536   4.341927  -1.911293
1  1.860008   4.876900  -0.841197
1  1.634769   3.427022  -1.845743
17  0.841903   -2.798361  1.004572
1  -0.405111   -4.461170  -0.949755
6  -0.511811   -4.197039  -2.016855
6  -0.770501   -2.706010  -2.127183
1  0.221608   -2.229254  -1.844682
1  -0.825475   -2.416598  -3.196876
1  -1.385950   -4.753352  -2.403840
6  0.750093   -4.598931  -2.753209
1  1.628094   -4.098661  -2.310016
1  0.927704   -5.683769  -2.700108
1  0.709134   -4.318278  -3.819975
6  -4.205877   0.979973  -1.391982
1  -3.459525   1.692363  -0.991997
1  -4.232804   1.184238  -2.478057
6  -5.563636   1.343336  -0.817724
1  -6.333228   0.642925  -1.192014
1  -5.548405   1.217750  0.280816
6  -5.953465   2.768285  -1.161084
1  -6.002961   2.920184  -2.252825
1  -6.935261   3.041361  -0.744557
1  -5.215381   3.490072  -0.769686
21
Phenylpyridine
6  3.512658   -0.100504  0.000256
6  2.898850   1.148052  -0.000204
6  1.511997   1.221210  -0.000484
6  0.761121   0.035070  -0.000478
6  2.687323   -1.223564  0.000520
1  4.600372   -0.205152  0.000467
1  3.496721   2.064216  -0.000323
1  1.020901   2.196639  -0.000732
1  3.129685   -2.229239  0.000836
6  -0.723569   0.035846  -0.000199
6  -1.409170   -1.186944  -0.000428
6  -1.476105   1.218581  0.000256
6  -2.798431   -1.225953  -0.000232
1  -0.817176   -2.105267  -0.000774
6  -2.866988   1.180000  0.000442
1  -0.979260   2.192696  0.000478
6  -3.534929   -0.042516  0.000200
1  -3.313455   -2.191174  -0.000426
1  -3.433734   2.115614  0.000791
1  -4.628403   -0.072047  0.000352
7  1.363973   -1.160279  0.000205
9
Propene
6  0.129291   -0.454195  0.000014
6  1.278879   0.219514  0.000009
1  0.164331   -1.552922  -0.000026
1  2.246614   -0.290749  -0.000035
1  1.296204   1.316222  -0.000041
6  -1.226783   0.162266  -0.000009
1  -1.811752   -0.150303  -0.882036
1  -1.811631   -0.150064  0.882178
1  -1.172084   1.262307  -0.000120
10
Butine
6  0.000000   0.000000  0.605963
6  0.000000   0.000000  -0.605963
6  0.000000   0.000000  2.058329
1  -0.511837   0.888545  2.463044
1  -0.513584   -0.887536  2.463044
1  1.025421   -0.001008  2.463044
6  0.000000   0.000000  -2.058329
1  0.511837   0.888545  -2.463044
1  0.513584   -0.887536  -2.463044
1  -1.025421   -0.001008  -2.463044
98
B''-Me
6  4.506728   1.895750  0.182562
6  3.407749   1.777353  -0.677342
6  5.414993   0.850377  0.320176
6  3.237704   0.585553  -1.390184
6  5.238287   -0.329460  -0.399633
1  6.259433   0.953298  1.008013
6  4.144970   -0.458986  -1.253901
1  5.948035   -1.155291  -0.287633
1  3.992197   -1.385856  -1.816354
6  2.478376   2.909633  -0.871730
6  2.984732   4.217054  -0.887672
7  1.164411   2.676919  -1.071218
6  2.135346   5.292286  -1.099488
1  4.057971   4.373443  -0.757319
6  0.356991   3.719484  -1.296283
6  0.785298   5.039836  -1.315313
1  2.525821   6.313757  -1.109751
1  -0.698552   3.483363  -1.455761
1  0.068595   5.843919  -1.494988
45  0.094519   0.821439  -0.459137
6  -0.777993   -0.685855  0.457372
7  -0.179332   -1.816808  0.959290
7  -2.000552   -0.669268  1.076591
6  -0.978843   -2.420425  1.922395
6  1.047530   -2.425843  0.525782
6  -2.121339   -1.704727  1.994333
6  -3.136047   0.119893  0.702789
1  -0.654262   -3.315870  2.448848
6  1.041244   -3.177066  -0.673614
6  2.172375   -2.367531  1.365740
1  -3.019115   -1.830098  2.596680
6  -3.391716   1.334187  1.358726
6  -4.011419   -0.416311  -0.262006
6  2.221622   -3.831985  -1.031647
6  -0.214665   -3.351131  -1.511103
6  3.323741   -3.053900  0.960729
6  2.161635   -1.665401  2.706612
6  -4.551842   2.029966  1.001568
6  -2.492969   1.868148  2.449942
6  -5.160825   0.313526  -0.574936
6  -3.768213   -1.759121  -0.924383
1  2.255723   -4.421047  -1.951758
6  3.354136   -3.771737  -0.223926
1  -0.708036   -2.360801  -1.577779
6  0.047010   -3.841563  -2.929854
6  -1.188820   -4.330970  -0.852221
1  4.213460   -3.021732  1.597975
1  1.265992   -1.022895  2.747306
6  3.356607   -0.738770  2.884250
6  2.096111   -2.684397  3.841921
1  -4.775963   2.980541  1.497129
6  -5.428582   1.528258  0.046726
1  -1.587092   1.240851  2.490865
6  -2.013561   3.281747  2.151554
6  -3.192509   1.785074  3.802980
1  -5.860643   -0.080019  -1.320505
1  -2.796650   -2.142515  -0.570820
6  -4.832744   -2.768365  -0.503759
6  -3.668222   -1.665467  -2.443291
1  4.264284   -4.301839  -0.521744
1  0.826330   -3.267433  -3.452921
1  -0.877992   -3.769696  -3.526015
1  0.350521   -4.903070  -2.938921
1  -2.092803   -4.449184  -1.475232
1  -1.517576   -4.015662  0.148915
1  -0.718608   -5.325410  -0.755672
1  4.310933   -1.292170  2.951998
1  3.244246   -0.157900  3.814575
1  3.421281   -0.018818  2.054069
1  1.216474   -3.345206  3.764869
1  2.046964   -2.173738  4.817950
1  2.990905   -3.331913  3.850007
1  -6.334120   2.085802  -0.210719
1  -1.486929   3.314219  1.183492
1  -1.292134   3.606544  2.918501
1  -2.843551   4.010653  2.133904
1  -4.095855   2.420083  3.834074
1  -2.519533   2.122459  4.608249
1  -3.505558   0.752934  4.035168
1  -4.893590   -2.862015  0.593221
1  -4.611090   -3.766826  -0.917195
1  -5.833229   -2.474963  -0.866579
1  -4.595462   -1.272486  -2.896444
1  -3.496675   -2.667118  -2.874832
1  -2.829021   -1.018229  -2.751437
17  0.939323   1.382531  1.725277
1  2.387762   0.492575  -2.067208
6  -0.286158   0.284470  -2.458610
6  -1.233126   1.024544  -2.068259
1  4.632664   2.804844  0.778835
6  0.488714   -0.482944  -3.441790
1  1.124046   -1.245237  -2.960944
1  -0.165445   -0.993050  -4.171773
1  1.161143   0.180781  -4.014500
6  -2.462278   1.822372  -2.213172
1  -3.314584   1.200797  -2.537931
1  -2.762704   2.307819  -1.269459
1  -2.331715   2.610405  -2.975860
98
E''-Me
6  -0.307719   2.125199  -0.549339
6  0.887961   2.891685  -0.524623
6  -1.500192   2.775544  -0.203963
6  0.852302   4.254125  -0.190546
6  -1.523859   4.130065  0.125987
1  -2.440513   2.208870  -0.205826
6  -0.345166   4.877636  0.132083
1  1.776683   4.841422  -0.173433
1  -2.475387   4.610847  0.380231
1  -0.361735   5.940771  0.387588
6  2.144216   2.199735  -0.839647
6  3.403737   2.814384  -0.898350
7  2.031208   0.874929  -1.076169
6  4.526763   2.050232  -1.183908
1  3.499656   3.888627  -0.725251
6  3.106931   0.142186  -1.356030
6  4.385371   0.683235  -1.413558
1  5.512243   2.522903  -1.230571
1  2.912429   -0.919428  -1.553882
1  5.243162   0.044800  -1.636784
45  -0.108466   0.250744  -1.231074
6  -0.395838   -0.739208  0.525955
7  -1.598522   -1.227381  0.968284
7  0.519556   -1.375616  1.318915
6  -1.423088   -2.193641  1.945907
6  -2.909014   -0.747457  0.630931
6  -0.096320   -2.281698  2.171878
6  1.930317   -1.130769  1.429531
1  -2.266778   -2.719791  2.386340
6  -3.466034   0.264928  1.438209
6  -3.598067   -1.324305  -0.448509
1  0.479688   -2.887314  2.867622
6  2.831423   -2.132389  1.029006
6  2.349561   0.062682  2.056671
6  -4.733120   0.740742  1.091240
6  -2.770294   0.769671  2.688661
6  -4.861004   -0.806711  -0.753925
6  -3.048368   -2.504133  -1.220913
6  4.193999   -1.899764  1.252560
6  2.388956   -3.456357  0.435475
6  3.721119   0.247928  2.235718
6  1.353998   1.076910  2.590465
1  -5.193626   1.531841  1.690852
6  -5.416921   0.222670  -0.003911
1  -1.683981   0.613901  2.555111
6  -2.985481   2.249616  2.973251
6  -3.218737   -0.040661  3.905602
1  -5.421012   -1.227296  -1.595460
1  -1.980731   -2.623864  -0.966957
6  -3.102907   -2.305800  -2.728975
6  -3.784857   -3.776296  -0.807287
1  4.920957   -2.663082  0.956552
6  4.636122   -0.723450  1.839275
1  1.327853   -3.362335  0.144389
6  3.145333   -3.819076  -0.836774
6  2.537764   -4.576132  1.464185
1  4.083907   1.165275  2.707366
1  0.527118   1.151260  1.859972
6  0.774562   0.608554  3.926361
6  1.922628   2.478389  2.755399
1  -6.404578   0.615104  -0.263783
1  -2.726888   2.882818  2.112616
1  -2.351265   2.562698  3.819680
1  -4.028232   2.464746  3.264367
1  -2.686346   0.292721  4.812587
1  -3.038045   -1.119725  3.788236
1  -4.300360   0.098366  4.079398
1  -4.137670   -2.216071  -3.104769
1  -2.637139   -3.166103  -3.235557
1  -2.529483   -1.414197  -3.029418
1  -3.724155   -3.953163  0.279871
1  -3.355837   -4.654757  -1.316598
1  -4.855975   -3.724849  -1.072382
1  5.706236   -0.560621  1.999759
1  2.997007   -3.060666  -1.620319
1  2.756960   -4.768139  -1.241139
1  4.226049   -3.958043  -0.658993
1  3.598023   -4.727140  1.733728
1  2.159617   -5.529096  1.058876
1  1.993702   -4.370517  2.400571
1  0.277528   -0.372412  3.857885
1  0.030760   1.333643  4.300757
1  1.574416   0.526907  4.683549
1  2.632322   2.538566  3.599560
1  1.104608   3.187910  2.965731
1  2.438264   2.829928  1.847275
17  0.403947   -2.050136  -2.095802
1  -1.627847   0.007833  -1.312889
6  -0.878204   1.172685  -3.185300
6  0.285046   0.842681  -3.441540
6  -2.229535   1.715356  -3.304561
1  -2.376120   2.566260  -2.620615
1  -2.401283   2.070347  -4.333434
1  -2.996598   0.961432  -3.062282
6  1.542382   0.536428  -4.110343
1  2.358952   1.198670  -3.778159
1  1.829790   -0.508378  -3.907221
1  1.427222   0.661314  -5.199089
98
TSF''-Me
6  0.120967   -2.211713  -0.573954
6  -1.147978   -2.847155  -0.586205
6  1.231303   -2.983273  -0.212997
6  -1.271070   -4.200989  -0.241128
6  1.098263   -4.327350  0.131454
1  2.226482   -2.520681  -0.201583
6  -0.155156   -4.942858  0.120939
1  -2.254064   -4.684694  -0.250429
1  1.985635   -4.908151  0.407481
1  -0.257473   -5.998253  0.388095
6  -2.286373   -2.021260  -0.985679
6  -3.602214   -2.476615  -1.139887
7  -1.982154   -0.727569  -1.245086
6  -4.586355   -1.596874  -1.567592
1  -3.844019   -3.522610  -0.936921
6  -2.924563   0.115880  -1.671011
6  -4.246463   -0.273820  -1.842925
1  -5.615335   -1.945405  -1.695191
1  -2.567191   1.128602  -1.896716
1  -4.987283   0.450539  -2.188980
45  0.130196   -0.323424  -1.211832
6  0.346289   0.649215  0.643810
7  1.546915   1.087328  1.137353
7  -0.570450   1.321605  1.400262
6  1.373715   2.048801  2.122746
6  2.854722   0.632661  0.759479
6  0.042736   2.190239  2.293796
6  -1.996788   1.162627  1.393052
1  2.219533   2.533234  2.606295
6  3.387022   -0.498344  1.412939
6  3.577840   1.363880  -0.198457
1  -0.535513   2.806879  2.977802
6  -2.795963   2.223581  0.931788
6  -2.541654   -0.018156  1.942194
6  4.665654   -0.917548  1.036324
6  2.648121   -1.194203  2.540609
6  4.857844   0.904757  -0.529176
6  3.045922   2.642618  -0.810417
6  -4.184425   2.071962  1.023315
6  -2.218776   3.522599  0.402070
6  -3.933266   -0.117533  1.996089
6  -1.658347   -1.119532  2.502413
1  5.108216   -1.795599  1.515046
6  5.392119   -0.227847  0.070459
1  1.566933   -1.158434  2.304211
6  3.037174   -2.654312  2.728028
6  2.878088   -0.457587  3.861921
1  5.446175   1.453644  -1.271717
1  1.957990   2.689713  -0.627788
6  3.216989   2.700552  -2.321918
6  3.704867   3.846777  -0.140984
1  -4.833857   2.881686  0.675473
6  -4.747844   0.916155  1.542567
1  -1.152918   3.350649  0.168225
6  -2.868923   3.977674  -0.898840
6  -2.341059   4.628354  1.449561
1  -4.395416   -1.019075  2.406462
1  -0.827203   -1.269715  1.787970
6  -1.057844   -0.717662  3.849892
6  -2.363112   -2.459017  2.653509
1  6.392945   -0.572387  -0.206480
1  3.032352   -3.219270  1.784733
1  2.327286   -3.146542  3.413305
1  4.039460   -2.751662  3.180728
1  2.363087   -0.973877  4.689366
1  2.516212   0.581013  3.842727
1  3.956153   -0.435449  4.100131
1  4.278318   2.702278  -2.628558
1  2.757407   3.622897  -2.711517
1  2.694455   1.863804  -2.812802
1  3.551970   3.848056  0.951396
1  3.290686   4.787264  -0.539954
1  4.794810   3.857075  -0.320590
1  -5.835927   0.816557  1.602019
1  -2.770943   3.217231  -1.687781
1  -2.360582   4.882548  -1.269785
1  -3.935139   4.233150  -0.768766
1  -3.401367   4.847634  1.667348
1  -1.877130   5.560456  1.086968
1  -1.862534   4.366598  2.407142
1  -0.426603   0.183018  3.788889
1  -0.431557   -1.534927  4.247670
1  -1.857774   -0.521354  4.585701
1  -3.102106   -2.443919  3.474360
1  -1.624151   -3.241508  2.893342
1  -2.881381   -2.767317  1.731303
17  -0.180158   2.029846  -2.094786
1  1.728998   -0.255498  -1.411389
6  1.552950   -0.873625  -2.816700
6  0.348879   -0.935834  -3.214737
6  2.990329   -1.143171  -3.019343
1  3.149950   -1.576374  -4.018815
1  3.599476   -0.227308  -2.930711
1  3.372921   -1.858225  -2.270289
6  -0.695514   -1.134236  -4.219561
1  -1.222345   -0.179070  -4.390117
1  -0.292925   -1.485233  -5.183932
1  -1.449676   -1.861742  -3.871939
98
G''-Me
6  -1.739182   -0.177648  1.194199
6  -2.877424   -0.982284  1.454351
6  -1.706515   1.094435  1.778335
6  -3.942450   -0.494521  2.225789
6  -2.765269   1.573198  2.544773
1  -0.823557   1.726432  1.638502
6  -3.895565   0.783003  2.765243
1  -4.821832   -1.120453  2.410297
1  -2.712325   2.579519  2.976137
1  -4.729470   1.160437  3.363307
6  -2.871663   -2.323822  0.873770
6  -3.889720   -3.274383  1.017997
7  -1.779503   -2.612420  0.128050
6  -3.770180   -4.506621  0.392393
1  -4.771218   -3.040911  1.618706
6  -1.665082   -3.795385  -0.482905
6  -2.639217   -4.779016  -0.375182
1  -4.561414   -5.254181  0.500106
1  -0.766044   -3.918174  -1.099897
1  -2.510830   -5.733194  -0.890125
45  -0.432753   -0.991169  -0.072049
6  0.654333   0.636558  -0.575856
7  2.000113   0.785350  -0.745636
7  0.104613   1.642832  -1.334240
6  2.277826   1.791939  -1.660605
6  3.024132   0.148919  0.037920
6  1.093851   2.319996  -2.037086
6  -1.237442   2.164801  -1.245497
1  3.298867   2.036468  -1.945411
6  3.155399   0.551028  1.385315
6  3.896655   -0.774305  -0.561669
1  0.849817   3.122083  -2.729923
6  -2.319590   1.452442  -1.793866
6  -1.414443   3.398005  -0.585575
6  4.139471   -0.072620  2.152860
6  2.358084   1.712013  1.949270
6  4.876162   -1.355817  0.252110
6  3.865242   -1.096266  -2.041303
6  -3.593590   2.012192  -1.683255
6  -2.114204   0.141313  -2.509924
6  -2.707969   3.924774  -0.525410
6  -0.276602   4.169513  0.060629
1  4.258158   0.201806  3.204823
6  4.984187   -1.028100  1.595638
1  1.342936   1.665005  1.516304
6  2.197014   1.692375  3.460458
6  3.001959   3.033713  1.523952
1  5.566380   -2.084705  -0.183799
1  2.891447   -0.763821  -2.440691
6  3.959546   -2.588934  -2.330010
6  4.987703   -0.350967  -2.761952
1  -4.451464   1.473975  -2.095137
6  -3.788487   3.241318  -1.064498
1  -1.288356   -0.404339  -2.012766
6  -3.312994   -0.791650  -2.489506
6  -1.619172   0.364166  -3.935493
1  -2.872950   4.884606  -0.025496
1  0.600754   3.502244  0.119046
6  0.119477   5.383994  -0.775940
6  -0.588569   4.611215  1.487339
1  5.749213   -1.505829  2.214929
1  1.810097   0.727537  3.818903
1  1.488488   2.477582  3.773006
1  3.149591   1.898250  3.979258
1  2.419790   3.892553  1.901699
1  3.081588   3.137230  0.429689
1  4.021487   3.111936  1.940749
1  4.941990   -3.007898  -2.050236
1  3.823517   -2.768448  -3.409046
1  3.166976   -3.147466  -1.809532
1  4.943901   0.739613  -2.603317
1  4.943233   -0.535540  -3.848119
1  5.977608   -0.687972  -2.406532
1  -4.794354   3.665268  -0.995204
1  -3.723916   -0.916812  -1.472514
1  -3.002902   -1.784868  -2.856400
1  -4.127741   -0.440647  -3.146866
1  -2.382705   0.894218  -4.532778
1  -1.400509   -0.602768  -4.416366
1  -0.691082   0.958262  -3.958414
1  0.370880   5.116113  -1.814069
1  0.995057   5.891204  -0.335964
1  -0.705002   6.116934  -0.818003
1  -1.415861   5.339870  1.524349
1  0.291692   5.106806  1.930736
1  -0.858832   3.764036  2.137292
17  0.576264   -2.027229  -2.145643
6  0.503618   -1.353250  2.784124
6  0.615570   -1.716748  1.497057
6  1.199026   -1.989883  3.950115
1  1.760584   -1.247705  4.546923
1  0.467265   -2.441887  4.643339
1  1.906745   -2.780953  3.663253
1  -0.170449   -0.532423  3.053008
6  1.461681   -2.852081  1.009718
1  1.985329   -2.607136  0.074811
1  2.219705   -3.142041  1.757166
1  0.846899   -3.744282  0.794287
98
TSH''-Me
6  -1.599162   1.748501  -0.323800
6  -1.725013   3.063826  0.226596
6  -2.808376   1.048431  -0.504071
6  -2.980335   3.595103  0.559493
6  -4.039840   1.569153  -0.146226
1  -2.780228   0.066265  -0.969742
6  -4.140398   2.858980  0.387840
1  -3.035751   4.592705  1.007355
1  -4.936790   0.959544  -0.301465
1  -5.111273   3.277473  0.665485
6  -0.494595   3.793768  0.502713
6  -0.391335   5.170507  0.740445
7  0.609506   3.022938  0.482998
6  0.861755   5.730813  0.939327
1  -1.288526   5.793603  0.746001
6  1.817837   3.556449  0.679215
6  1.993114   4.915226  0.904234
1  0.959525   6.805781  1.116241
1  2.657674   2.852999  0.667858
1  2.995705   5.320250  1.055305
45  0.257559   0.981542  0.145057
6  0.192763   -1.055736  -0.084358
7  1.324206   -1.782837  -0.392318
7  -0.776913   -2.023640  0.029141
6  1.043200   -3.134634  -0.508097
6  2.696729   -1.337699  -0.352798
6  -0.263898   -3.292353  -0.224255
6  -2.148179   -1.907213  0.442107
1  1.815159   -3.855031  -0.766960
6  3.239831   -0.653809  -1.451505
6  3.465211   -1.656921  0.786706
1  -0.889378   -4.179637  -0.166205
6  -2.443542   -1.513303  1.759246
6  -3.156201   -2.294661  -0.466451
6  4.564559   -0.215710  -1.360838
6  2.476794   -0.490993  -2.745438
6  4.787699   -1.210522  0.816970
6  2.948057   -2.504327  1.935624
6  -3.787214   -1.503398  2.147169
6  -1.385772   -1.147981  2.775446
6  -4.479620   -2.274827  -0.020867
6  -2.878712   -2.707842  -1.902086
1  5.009574   0.327100  -2.199889
6  5.329307   -0.480399  -0.232979
1  1.401373   -0.513069  -2.504863
6  2.749627   0.832889  -3.442177
6  2.782449   -1.666667  -3.671297
1  5.404814   -1.431588  1.692782
1  1.843560   -2.474760  1.910814
6  3.378899   -2.006692  3.310744
6  3.406799   -3.954313  1.770332
1  -4.040307   -1.197756  3.167301
6  -4.797080   -1.881529  1.274011
1  -0.415014   -1.053889  2.266366
6  -1.651261   0.209618  3.414002
6  -1.243455   -2.248801  3.821592
1  -5.280404   -2.571089  -0.706523
1  -1.807056   -2.536261  -2.111003
6  -3.162749   -4.192082  -2.118871
6  -3.673696   -1.875036  -2.905316
1  6.363929   -0.128945  -0.178045
1  2.608962   1.683808  -2.755085
1  2.063231   0.966876  -4.294718
1  3.774406   0.886618  -3.848608
1  2.216944   -1.586130  -4.615625
1  2.525611   -2.631953  -3.204139
1  3.857159   -1.696847  -3.924418
1  4.462742   -2.137455  3.473127
1  2.870685   -2.593306  4.093911
1  3.123665   -0.947207  3.453902
1  3.099560   -4.399956  0.811584
1  3.003116   -4.585622  2.579592
1  4.508183   -4.015446  1.818687
1  -5.840158   -1.872530  1.603662
1  -1.789321   0.987872  2.643162
1  -0.784822   0.507377  4.025916
1  -2.543730   0.199323  4.064465
1  -2.170590   -2.379362  4.407841
1  -0.432193   -2.002108  4.526885
1  -1.004502   -3.221283  3.356767
1  -2.582751   -4.834799  -1.437219
1  -2.921390   -4.491275  -3.152221
1  -4.229503   -4.417575  -1.949086
1  -4.757292   -2.064503  -2.823756
1  -3.378017   -2.132984  -3.936060
1  -3.514659   -0.792233  -2.770083
17  1.626600   0.642351  2.057564
6  -0.453622   1.531874  -1.815283
6  -0.774626   0.508591  -2.645784
1  -1.122957   -0.423500  -2.182604
6  -0.018106   2.859233  -2.378214
1  -0.007749   2.850860  -3.478128
1  -0.693620   3.676719  -2.076602
1  0.993678   3.145888  -2.047241
6  -0.771028   0.452523  -4.135864
1  -0.133072   -0.376587  -4.496305
1  -1.784690   0.236698  -4.521987
1  -0.424366   1.374087  -4.624729
98
I''-Me
6 4.088240 -0.116883 -0.863119
6 3.000379 0.233821 -0.034199
6 3.912889 -0.091426 -2.252947
6 1.729397 0.514660 -0.612467
6 2.684967 0.234969 -2.825011
1 4.758915 -0.372195 -2.887811
6 1.601911 0.531842 -2.011486
1 1.011932 1.290468 -0.049084
1 2.572527 0.238450 -3.913808
1 0.631130 0.776073 -2.453872
6 3.052412 0.265953 1.435130
6 4.200484 0.520979 2.194456
7 1.859742 0.071732 2.045024
6 4.112698 0.540049 3.579917
1 5.148455 0.711634 1.687137
6 1.777039 0.076693 3.379692
6 2.882895 0.301753 4.188721
1 5.002124 0.744954 4.182532
1 0.778342 -0.124831 3.785009
1 2.773253 0.298814 5.275410
45 0.171510 -0.006238 0.772574
6 -1.341565 0.080894 -0.501059
7 -1.999278 -0.917620 -1.177662
7 -1.896015 1.232926 -0.999063
6 -2.885968 -0.386124 -2.106986
6 -2.046525 -2.316610 -0.832023
6 -2.833453 0.957911 -1.987600
6 -1.695953 2.532031 -0.428639
1 -3.478802 -1.028112 -2.755391
6 -1.042863 -3.218715 -1.230678
6 -3.170763 -2.728462 -0.097370
1 -3.375830 1.749655 -2.500591
6 -2.193940 2.747107 0.870107
6 -1.063582 3.547871 -1.167786
6 -1.213457 -4.567210 -0.899775
6 0.198113 -2.803738 -1.982517
6 -3.295828 -4.085087 0.199125
6 -4.232265 -1.753576 0.373869
6 -1.998612 4.007018 1.436713
6 -3.006136 1.694676 1.598301
6 -0.902649 4.796365 -0.554878
6 -0.590143 3.367725 -2.595339
1 -0.447344 -5.290079 -1.199572
6 -2.330199 -5.000588 -0.200238
1 0.194653 -1.706157 -2.052240
6 1.457408 -3.195965 -1.218421
6 0.205694 -3.352214 -3.404297
1 -4.163453 -4.430475 0.769852
1 -3.828231 -0.731546 0.254744
6 -4.566010 -1.921287 1.852078
6 -5.498104 -1.859165 -0.472672
1 -2.369295 4.201481 2.446891
6 -1.353627 5.022876 0.737488
1 -2.654721 0.696965 1.279480
6 -2.829221 1.719720 3.108450
6 -4.478763 1.832724 1.214947
1 -0.411667 5.604834 -1.106240
1 -0.664605 2.295051 -2.845418
6 -1.493608 4.124613 -3.566023
6 0.864218 3.787152 -2.780232
1 -2.445443 -6.060058 0.046759
1 1.435794 -2.775105 -0.197108
1 2.356433 -2.811081 -1.730054
1 1.563535 -4.292029 -1.138930
1 1.091272 -2.989532 -3.954287
1 -0.693605 -3.041199 -3.962779
1 0.237024 -4.455921 -3.413835
1 -5.065976 -2.883833 2.055667
1 -5.261399 -1.127328 2.175055
1 -3.655182 -1.859683 2.467857
1 -5.300840 -1.706674 -1.546433
1 -6.241899 -1.107811 -0.156425
1 -5.962932 -2.854627 -0.361971
1 -1.212265 6.002624 1.203114
1 -1.762250 1.686404 3.383561
1 -3.307996 0.830984 3.550470
1 -3.287952 2.609036 3.575593
1 -4.875807 2.815621 1.526074
1 -5.085231 1.052846 1.707193
1 -4.632418 1.740811 0.125718
1 -2.547096 3.810576 -3.482621
1 -1.172673 3.965303 -4.608904
1 -1.461417 5.210041 -3.369191
1 0.987359 4.879111 -2.681544
1 1.223010 3.509546 -3.785850
1 1.526285 3.305313 -2.042768
17 -1.059733 -1.288310 2.317836
6 6.530732 0.003787 -0.681459
6 5.389689 -0.623463 -0.345696
6 5.340035 -1.912552 0.430302
1 6.113191 -1.973332 1.212391
1 4.362006 -2.062772 0.912488
1 5.487662 -2.772151 -0.248180
1 6.436987 0.924544 -1.274689
6 7.917972 -0.418059 -0.341144
1 8.493218 -0.659523 -1.252450
1 8.475072 0.390665 0.162297
1 7.948897 -1.305408 0.308235
108
J''-Me
6 -4.462747 0.164450 -0.329025
6 -3.305238 -0.148020 -1.080670
6 -4.847822 1.510652 -0.237120
6 -2.586386 0.888574 -1.687123
6 -4.124805 2.527660 -0.849938
1 -5.724482 1.754684 0.371039
6 -2.979698 2.215697 -1.575993
1 -4.446778 3.568596 -0.743988
1 -2.385948 3.002989 -2.051526
6 -2.874945 -1.538897 -1.360721
6 -3.837717 -2.509678 -1.674648
7 -1.558981 -1.841181 -1.392783
6 -3.449813 -3.802939 -1.988458
1 -4.892496 -2.225707 -1.675770
6 -1.195393 -3.091245 -1.702982
6 -2.093220 -4.107296 -1.998841
1 -4.198886 -4.561599 -2.232477
1 -0.120471 -3.291825 -1.705008
1 -1.726635 -5.108424 -2.235394
45 0.102543 -0.596637 -0.565750
6 1.411028 0.404303 0.508906
7 1.237100 1.645154 1.074001
7 2.488458 -0.107610 1.184796
6 2.125953 1.845741 2.123637
6 0.360894 2.697327 0.636647
6 2.912664 0.750589 2.191006
6 3.284771 -1.234202 0.796880
1 2.117295 2.764791 2.706420
6 0.747154 3.477673 -0.478930
6 -0.775079 3.003047 1.405050
1 3.744015 0.493799 2.844784
6 3.036490 -2.497386 1.356782
6 4.362824 -0.995608 -0.077716
6 -0.067443 4.558043 -0.824890
6 2.039041 3.221150 -1.236454
6 -1.548245 4.103609 1.015965
6 -1.155184 2.241895 2.656784
6 3.889113 -3.545308 0.992390
6 1.932903 -2.730469 2.362143
6 5.190084 -2.073705 -0.401400
6 4.676200 0.382303 -0.627583
1 0.198874 5.184481 -1.680139
6 -1.204760 4.870990 -0.085071
1 2.136359 2.124358 -1.365259
6 2.085376 3.860718 -2.618771
6 3.251903 3.722811 -0.449047
1 -2.439574 4.358506 1.598485
1 -0.550837 1.320164 2.694467
6 -2.612515 1.797190 2.637980
6 -0.860614 3.076548 3.900833
1 3.718801 -4.541434 1.414350
6 4.954093 -3.339566 0.123342
1 1.302471 -1.826207 2.398526
6 1.013890 -3.872215 1.950663
6 2.521341 -2.958596 3.751202
1 6.038116 -1.916007 -1.076933
1 3.870896 1.066968 -0.314541
6 5.977779 0.911581 -0.032116
6 4.706482 0.421087 -2.151146
1 -1.822209 5.728134 -0.371658
1 1.190352 3.653242 -3.224382
1 2.960287 3.484730 -3.174861
1 2.197346 4.957050 -2.551750
1 4.179777 3.541410 -1.019406
1 3.367505 3.239234 0.532280
1 3.171197 4.811388 -0.282246
1 -3.311312 2.650937 2.701702
1 -2.814675 1.137584 3.498477
1 -2.839051 1.224058 1.725047
1 0.199063 3.375894 3.964388
1 -1.103697 2.508814 4.814259
1 -1.462960 4.002240 3.914529
1 5.612675 -4.172262 -0.141202
1 0.585208 -3.686997 0.951834
1 0.168381 -3.948164 2.653135
1 1.534080 -4.846722 1.940745
1 3.144981 -3.869828 3.783861
1 1.718638 -3.075902 4.497663
1 3.155125 -2.112998 4.068196
1 5.941857 0.924110 1.070003
1 6.178824 1.940282 -0.375947
1 6.839184 0.288141 -0.328759
1 5.481957 -0.244664 -2.568939
1 4.933486 1.443005 -2.501592
1 3.731514 0.128454 -2.576764
17 -1.000473 -0.985037 1.540674
1 -1.708562 0.627709 -2.278556
6 0.813534 -0.123173 -2.494657
6 1.369091 -1.194937 -2.120628
6 0.491644 0.940958 -3.455019
1 0.135151 1.856353 -2.954397
1 1.365730 1.209478 -4.075302
1 -0.310048 0.619417 -4.143757
6 2.209474 -2.394907 -2.267340
1 3.269378 -2.131945 -2.428307
1 2.177647 -3.043189 -1.375657
1 1.888535 -2.994965 -3.137030
6 -5.272380 -0.843073 0.403951
6 -6.609100 -0.875081 0.245555
1 -7.065191 -0.182918 -0.474498
6 -4.590910 -1.769848 1.371386
1 -4.814836 -2.829895 1.155338
1 -3.497201 -1.641033 1.388967
1 -4.957627 -1.579342 2.396545
6 -7.508195 -1.815022 0.979683
1 -7.398863 -1.716489 2.074951
1 -8.567946 -1.652092 0.736189
1 -7.275938 -2.871208 0.748070
98
TSK''-Me
6  4.057190   0.220224  -0.917578
6  2.962448   0.273636  -0.024258
6  3.827364   0.378376  -2.288663
6  1.632544   0.376632  -0.531812
6  2.539311   0.555248  -2.781957
1  4.679036   0.328153  -2.975408
6  1.456518   0.554611  -1.910321
1  0.613728   1.386962  0.331213
1  2.375442   0.676796  -3.858103
1  0.446869   0.677114  -2.315713
6  3.060221   0.191217  1.442860
6  4.207512   0.408485  2.218708
7  1.880584   -0.057379  2.059743
6  4.130259   0.329930  3.602217
1  5.155199   0.648127  1.739044
6  1.805213   -0.148096  3.390738
6  2.912738   0.030313  4.207289
1  5.024124   0.506657  4.207368
1  0.810242   -0.384598  3.785950
1  2.813297   -0.051286  5.291699
45  0.186728   -0.041846  0.799758
6  -1.331732   0.077275  -0.490599
7  -1.920821   -0.921697  -1.216807
7  -1.925799   1.222216  -0.950557
6  -2.809479   -0.398094  -2.147280
6  -1.897059   -2.331596  -0.911759
6  -2.824584   0.942807  -1.973387
6  -1.808881   2.515263  -0.335391
1  -3.353738   -1.041571  -2.835393
6  -0.849883   -3.140610  -1.374574
6  -2.973318   -2.850185  -0.163090
1  -3.390510   1.729665  -2.468409
6  -2.367274   2.692102  0.949369
6  -1.189689   3.565449  -1.033308
6  -0.898252   -4.505589  -1.075713
6  0.299284   -2.597388  -2.188515
6  -2.977445   -4.220635  0.098729
6  -4.117966   -1.991165  0.337974
6  -2.257491   3.955927  1.531066
6  -3.141925   1.597442  1.654931
6  -1.117593   4.813808  -0.405364
6  -0.624468   3.414963  -2.429919
1  -0.089715   -5.156090  -1.425162
6  -1.950859   -5.043588  -0.349431
1  0.200699   -1.502282  -2.211552
6  1.646322   -2.907289  -1.547283
6  0.237861   -3.085977  -3.631278
1  -3.799160   -4.651183  0.679108
1  -3.793917   -0.936815  0.293362
6  -4.483106   -2.277541  1.789529
6  -5.348640   -2.143686  -0.553602
1  -2.676208   4.123165  2.527290
6  -1.637000   5.007971  0.865642
1  -2.727244   0.622274  1.349745
6  -3.007010   1.632997  3.168993
6  -4.608319   1.647488  1.228927
1  -0.639085   5.648428  -0.927851
1  -0.663437   2.345834  -2.700062
6  -1.472402   4.175395  -3.446040
6  0.834680   3.851332  -2.503999
1  -1.971499   -6.114128  -0.125325
1  1.675322   -2.554342  -0.501415
1  2.459577   -2.402610  -2.097728
1  1.862845   -3.989772  -1.550131
1  1.045882   -2.629315  -4.228442
1  -0.724214   -2.826676  -4.105110
1  0.354287   -4.182180  -3.694276
1  -4.924629   -3.281393  1.913527
1  -5.241220   -1.554952  2.137770
1  -3.599054   -2.196605  2.439959
1  -5.137729   -1.909819  -1.609462
1  -6.159669   -1.475761  -0.215799
1  -5.731225   -3.178929  -0.516127
1  -1.564838   5.989672  1.342795
1  -1.947183   1.637855  3.471989
1  -3.465531   0.730700  3.604666
1  -3.509490   2.506672  3.620344
1  -5.074692   2.601455  1.533616
1  -5.178678   0.827137  1.698017
1  -4.724690   1.554330  0.135068
1  -2.524681   3.845895  -3.434519
1  -1.083013   4.033363  -4.467824
1  -1.467669   5.258870  -3.236226
1  0.942169   4.938739  -2.350734
1  1.258830   3.617741  -3.495083
1  1.450254   3.337283  -1.747560
17  -1.059173   -1.387569  2.329303
6  5.773950   -1.330556  -0.126017
6  5.461600   -0.083090  -0.512560
1  4.945419   -2.054031  -0.096779
6  7.100849   -1.853692  0.300251
1  7.065218   -2.209342  1.345500
1  7.400265   -2.725425  -0.306277
1  7.906150   -1.107778  0.229871
6  6.422996   1.059867  -0.632593
1  7.449988   0.799524  -0.338332
1  6.453117   1.439658  -1.668880
1  6.093277   1.914695  -0.013753
98
L''-Me
6  4.074210   -0.018303  -0.802363
6  2.950682   0.041342  0.060238
6  3.888050   0.210900  -2.169532
6  1.642334   0.222414  -0.472545
6  2.621327   0.468204  -2.685836
1  4.758103   0.157908  -2.831523
6  1.513525   0.463389  -1.846408
1  0.426946   1.413900  0.627344
1  2.495313   0.654694  -3.757978
1  0.523099   0.636899  -2.280401
6  3.011688   -0.071940  1.524711
6  4.162082   0.025178  2.319364
7  1.804806   -0.230614  2.120060
6  4.056930   -0.077009  3.700034
1  5.129037   0.205707  1.848122
6  1.701406   -0.339472  3.446861
6  2.808643   -0.276596  4.282243
1  4.953671   0.004916  4.321113
1  0.683831   -0.496152  3.823765
1  2.685345   -0.370725  5.363160
45  0.147636   -0.081266  0.822369
6  -1.316730   0.136019  -0.514236
7  -1.919458   -0.835199  -1.267120
7  -1.846214   1.306700  -0.985331
6  -2.751575   -0.270069  -2.225215
6  -1.969559   -2.244697  -0.958894
6  -2.717594   1.069410  -2.041983
6  -1.713450   2.588938  -0.349685
1  -3.296594   -0.886481  -2.937201
6  -0.944880   -3.101932  -1.385999
6  -3.089227   -2.712452  -0.240553
1  -3.231818   1.882283  -2.551091
6  -2.336351   2.773928  0.904009
6  -1.014374   3.620504  -0.997523
6  -1.057696   -4.460511  -1.075412
6  0.240737   -2.618556  -2.185241
6  -3.156148   -4.078614  0.034666
6  -4.217823   -1.806048  0.210960
6  -2.212421   4.026312  1.507101
6  -3.186207   1.701233  1.553439
6  -0.931046   4.858433  -0.350764
6  -0.367193   3.459294  -2.356351
1  -0.268514   -5.147966  -1.396872
6  -2.150643   -4.947081  -0.373283
1  0.207395   -1.519670  -2.197254
6  1.565985   -3.014546  -1.545757
6  0.155192   -3.086332  -3.633942
1  -4.011930   -4.468978  0.593800
1  -3.854316   -0.765030  0.166184
6  -4.647095   -2.060894  1.651070
6  -5.418698   -1.923155  -0.725685
1  -2.680157   4.198067  2.480641
6  -1.515580   5.060170  0.890580
1  -2.796189   0.714753  1.251042
6  -3.124070   1.704793  3.072812
6  -4.628091   1.820307  1.062458
1  -0.389263   5.678137  -0.833598
1  -0.451787   2.398910  -2.649096
6  -1.095074   4.286828  -3.412195
6  1.117129   3.806063  -2.318812
1  -2.220840   -6.013154  -0.138311
1  1.616202   -2.680694  -0.494236
1  2.407013   -2.548143  -2.087979
1  1.722500   -4.107143  -1.564564
1  0.991260   -2.673177  -4.224020
1  -0.787722   -2.763152  -4.107128
1  0.203769   -4.186952  -3.708296
1  -5.144039   -3.039604  1.766513
1  -5.378906   -1.297283  1.967150
1  -3.782912   -2.019633  2.331870
1  -5.159995   -1.703625  -1.774104
1  -6.218880   -1.226112  -0.422764
1  -5.837464   -2.944569  -0.697094
1  -1.433021   6.033448  1.383053
1  -2.081263   1.677929  3.428373
1  -3.623442   0.803039  3.462579
1  -3.628278   2.581381  3.516612
1  -5.063570   2.792177  1.355829
1  -5.255156   1.023982  1.499177
1  -4.700209   1.740723  -0.036198
1  -2.164970   4.027354  -3.475845
1  -0.648354   4.131778  -4.408266
1  -1.033979   5.365303  -3.186165
1  1.277746   4.878772  -2.116178
1  1.592222   3.581545  -3.288638
1  1.647779   3.227729  -1.544543
17  -1.235804   -1.338863  2.339693
6  5.442680   -0.438317  -0.382545
6  5.552136   -1.874966  0.036724
1  4.815190   -2.127264  0.818056
1  5.319362   -2.530425  -0.821916
1  6.550296   -2.145994  0.410107
6  6.477258   0.409683  -0.517535
1  6.235447   1.422582  -0.870544
6  7.918492   0.148395  -0.244829
1  8.524560   0.277718  -1.158596
1  8.323438   0.865372  0.490261
1  8.111403   -0.865151  0.136122
108
M''-Me
6  -0.886993   -1.569508  -0.255027
6  -2.293601   -1.332521  -0.186821
6  -0.383120   -2.793271  0.196997
6  -3.156755   -2.371072  0.249361
6  -1.230746   -3.788040  0.674936
1  0.696554   -2.981249  0.148962
6  -2.605110   -3.578300  0.688449
1  -0.820245   -4.745388  1.015635
1  -3.282527   -4.372590  1.020994
6  -2.732031   0.028525  -0.566512
6  -4.044659   0.529829  -0.531740
7  -1.731517   0.857500  -0.947919
6  -4.294975   1.850554  -0.881912
1  -4.872249   -0.116887  -0.247541
6  -1.971236   2.119196  -1.296115
6  -3.244120   2.672964  -1.274941
1  -5.319783   2.232439  -0.850545
1  -1.090612   2.687470  -1.620859
1  -3.396778   3.716927  -1.558309
45  0.208604   -0.170677  -1.180870
6  1.288496   0.497756  0.414041
7  2.537955   0.051922  0.764070
7  1.156499   1.663443  1.117960
6  3.184013   0.956766  1.591175
6  3.107007   -1.240319  0.502358
6  2.315853   1.963381  1.820556
6  -0.020704   2.466711  1.289857
1  4.201161   0.787142  1.936841
6  2.901128   -2.253146  1.461329
6  3.875717   -1.437723  -0.656525
1  2.396269   2.863399  2.425764
6  -0.039365   3.777902  0.783722
6  -1.068565   1.941793  2.075762
6  3.439673   -3.514141  1.192880
6  2.200246   -1.983191  2.780300
6  4.384948   -2.721382  -0.878571
6  4.218182   -0.307861  -1.603446
6  -1.165180   4.561086  1.065251
6  1.119640   4.385403  0.017499
6  -2.174421   2.760920  2.307256
6  -0.967164   0.575575  2.727459
1  3.294294   -4.326125  1.911866
6  4.158602   -3.751673  0.025966
1  1.532534   -1.114341  2.635698
6  1.340921   -3.135156  3.282688
6  3.225339   -1.617934  3.854679
1  4.979350   -2.911305  -1.778276
1  3.587770   0.562342  -1.353519
6  3.921843   -0.638497  -3.059387
6  5.679825   0.091726  -1.414288
1  -1.207501   5.588612  0.689388
6  -2.223965   4.059148  1.807606
1  1.803426   3.567402  -0.267508
6  0.689319   5.052208  -1.283296
6  1.867341   5.388707  0.894209
1  -3.009912   2.382558  2.903086
1  -0.449005   -0.096486  2.019918
6  -0.136047   0.661900  4.008047
6  -2.311359   -0.067832  3.030147
1  4.563882   -4.748851  -0.169992
1  0.593777   -3.452273  2.540915
1  0.798433   -2.827748  4.192495
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108
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108
O''-Me
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108
TSP''-Me
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108
Q''-Me
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1  -5.866059   -1.457355  0.113435
6  -2.035104   0.508921  -1.760021
6  -2.587491   1.519211  -2.558872
7  -0.696118   0.477847  -1.518007
6  -1.777883   2.492944  -3.124536
1  -3.661229   1.498541  -2.759512
6  0.079642   1.425538  -2.068787
6  -0.409499   2.440599  -2.880044
1  -2.207077   3.267436  -3.766061
1  1.152467   1.346111  -1.857397
1  0.283095   3.164648  -3.316114
45  0.349206   -1.123297  -0.581751
6  1.318222   0.053874  0.793329
7  0.845676   0.264647  2.057404
7  2.651858   0.374683  0.883792
6  1.869746   0.600655  2.930286
6  -0.539247   0.381679  2.428544
6  3.003787   0.666240  2.194002
6  3.509504   0.669006  -0.236512
1  1.685714   0.763592  3.990923
6  -1.161639   1.633294  2.224686
6  -1.198215   -0.685465  3.055276
1  4.027535   0.908440  2.472550
6  4.325974   -0.322826  -0.804550
6  3.531340   2.001872  -0.707165
6  -2.464875   1.794225  2.694503
6  -0.433230   2.798205  1.582758
6  -2.521132   -0.482862  3.465327
6  -0.531982   -2.012720  3.325041
6  5.034358   0.005197  -1.966503
6  4.566637   -1.655358  -0.137891
6  4.257491   2.277272  -1.867846
6  2.941229   3.149966  0.089187
1  -2.960842   2.763173  2.578262
6  -3.148202   0.742593  3.297078
1  0.363123   2.369982  0.950652
6  -1.294098   3.642612  0.653209
6  0.219798   3.680514  2.644355
1  -3.060831   -1.307858  3.941487
1  0.465245   -1.999564  2.855457
6  -1.298012   -3.153821  2.668176
6  -0.353341   -2.239372  4.822505
1  5.658238   -0.760167  -2.438730
6  4.976083   1.278271  -2.515585
1  3.781327   -1.806241  0.618813
6  4.476205   -2.828512  -1.100204
6  5.920837   -1.628119  0.568560
1  4.280558   3.300101  -2.257760
1  2.228622   2.733795  0.818256
6  4.052628   3.830069  0.889391
6  2.191664   4.182119  -0.739984
1  -4.176952   0.885316  3.642331
1  -1.715238   3.045460  -0.171659
1  -0.681200   4.440810  0.201574
1  -2.129553   4.138073  1.177974
1  0.801469   4.494318  2.176130
1  0.902424   3.110023  3.294468
1  -0.548237   4.144268  3.288337
1  -2.294664   -3.301231  3.122071
1  -0.735712   -4.096754  2.765771
1  -1.431122   -2.955073  1.591649
1  0.229088   -1.427616  5.291152
1  0.179973   -3.186266  5.008270
1  -1.322920   -2.296197  5.348570
1  5.529016   1.507017  -3.431462
1  3.525561   -2.805107  -1.653508
1  4.508388   -3.778538  -0.542101
1  5.309011   -2.841579  -1.826018
1  6.749017   -1.494448  -0.150433
1  6.094160   -2.575059  1.106256
1  5.987593   -0.806918  1.302188
1  4.599380   3.114566  1.524269
1  3.640771   4.618584  1.542082
1  4.789671   4.299837  0.214829
1  2.854042   4.709627  -1.447344
1  1.756811   4.952707  -0.079909
1  1.366301   3.733089  -1.314165
17  1.548426   -2.775317  0.730699
6  -0.122916   -3.071283  -1.618645
6  -1.010740   -2.119467  -2.083502
1  -0.406093   -3.655652  -0.736270
6  0.975501   -3.659526  -2.442694
1  1.727080   -4.135269  -1.796062
1  0.574892   -4.435406  -3.123640
1  1.487274   -2.910308  -3.067497
6  -0.894427   -1.646781  -3.516968
1  -1.592540   -0.835932  -3.771227
1  0.122907   -1.298906  -3.756687
1  -1.121721   -2.486185  -4.199289
6  -4.950599   0.820027  -0.788555
6  -6.142347   0.862567  -1.412649
1  -6.469968   -0.042857  -1.941752
6  -4.394785   1.988879  -0.029484
1  -3.358978   1.795948  0.274463
1  -4.411312   2.929584  -0.606451
1  -4.969391   2.161534  0.898459
6  -7.071982   2.025225  -1.462407
1  -7.278512   2.334998  -2.501807
1  -8.052654   1.767408  -1.025159
1  -6.691137   2.903079  -0.919748
31
monoalkenylproduct-Me
6  1.744481   -1.550692  0.793922
6  0.922867   -0.814205  -0.071172
6  2.749972   0.130054  -1.084626
6  3.647558   -0.562370  -0.272407
6  3.124654   -1.420645  0.689202
1  1.297187   -2.200797  1.551306
1  3.127107   0.816780  -1.854667
1  4.725399   -0.426595  -0.392204
1  3.785384   -1.979885  1.358312
6  -0.553465   -0.948931  -0.008853
6  -1.402014   0.175251  -0.061096
6  -1.117290   -2.228937  0.079869
6  -2.786374   -0.029115  -0.055376
6  -2.495177   -2.413082  0.093652
1  -0.453957   -3.100085  0.105312
6  -3.335464   -1.305025  0.021976
1  -3.444032   0.846817  -0.088666
1  -2.912124   -3.422611  0.150244
1  -4.421782   -1.433529  0.032664
7  1.431910   0.012242  -0.992017
6  -0.886807   1.574335  -0.081737
6  -0.353514   2.090441  1.036600
6  0.213180   3.453746  1.233038
1  1.287763   3.402982  1.483027
1  0.112464   4.093971  0.344422
1  -0.272866   3.973618  2.076595
1  -0.310576   1.426581  1.912842
6  -1.029288   2.279563  -1.392988
1  -2.071893   2.239660  -1.753995
1  -0.720881   3.334134  -1.355540
1  -0.410480   1.760942  -2.145580
41
Bisalkeynylproduct-Me
6  -0.424102   -1.513967  1.148893
6  0.013524   -0.812560  0.017734
6  0.549763   -2.764410  -1.054342
6  0.132373   -3.549197  0.017476
6  -0.363475   -2.900637  1.146653
1  -0.805228   -0.962021  2.013744
1  0.949395   -3.241506  -1.959461
1  0.198495   -4.639100  -0.031998
1  -0.696630   -3.472370  2.018075
6  -0.030692   0.676091  -0.013598
6  1.178147   1.391331  -0.116614
6  -1.258903   1.365990  0.070645
6  1.147685   2.788235  -0.139606
6  -1.247202   2.766393  0.074325
6  -0.057094   3.474666  -0.036678
1  2.092751   3.337323  -0.215206
1  -2.197159   3.307989  0.130350
1  -0.069134   4.568579  -0.045670
7  0.495134   -1.435587  -1.060617
6  2.494806   0.693773  -0.187578
6  2.993686   0.110294  0.913384
6  4.269360   -0.646640  1.048720
1  4.076665   -1.695395  1.336612
1  4.860807   -0.663309  0.121623
1  4.906113   -0.223096  1.844520
6  -2.564086   0.649724  0.123648
6  -2.867984   -0.248379  -0.829795
6  -4.084884   -1.097431  -0.941332
1  -4.583588   -0.956981  -1.915574
1  -3.814343   -2.167673  -0.889994
1  -4.828652   -0.905265  -0.154469
1  2.384916   0.181932  1.826900
1  -2.120826   -0.395743  -1.622059
6  3.132074   0.702712  -1.541179
1  4.134042   0.250354  -1.554844
1  2.486207   0.147217  -2.243673
1  3.213945   1.731704  -1.932737
6  -3.449942   1.001207  1.280566
1  -2.942066   0.790281  2.239107
1  -3.686952   2.078885  1.296391
1  -4.403012   0.454139  1.274743
107
J'''-Me
6 -4.222196 -0.020085 -0.180107
6 -3.277017 -0.346130 -1.170368
6 -4.654606 1.309616 -0.096687
6 -2.780863 0.655594 -2.014047
6 -4.169240 2.296329 -0.945972
1 -5.375070 1.575340 0.686668
6 -3.218647 1.969146 -1.910729
1 -4.524390 3.326963 -0.847742
1 -2.817936 2.736814 -2.580403
6 -2.807705 -1.734378 -1.393474
6 -3.737560 -2.751408 -1.646052
7 -1.485032 -1.989802 -1.410558
6 -3.305155 -4.045048 -1.897903
1 -4.801527 -2.502276 -1.657141
6 -1.074594 -3.238188 -1.666072
6 -1.937642 -4.297761 -1.908385
1 -4.026683 -4.843480 -2.092753
1 0.007342 -3.397642 -1.661940
1 -1.536924 -5.295325 -2.100547
45 0.040620 -0.629974 -0.570480
6 1.271285 0.463057 0.514237
7 1.043096 1.705775 1.054568
7 2.365388 0.010722 1.205657
6 1.923694 1.968835 2.096811
6 0.104723 2.694805 0.602686
6 2.753833 0.908746 2.191033
6 3.204430 -1.096044 0.856618
1 1.879433 2.900655 2.656648
6 0.414806 3.439088 -0.559456
6 -1.022926 2.975324 1.393453
1 3.593302 0.701738 2.851975
6 2.981256 -2.356383 1.432387
6 4.298487 -0.835545 0.008339
6 -0.480570 4.440560 -0.940992
6 1.708423 3.232259 -1.330344
6 -1.880436 3.995184 0.964455
6 -1.294437 2.285737 2.714202
6 3.886259 -3.377571 1.121400
6 1.836831 -2.620072 2.384104
6 5.179006 -1.886078 -0.259586
6 4.564989 0.538579 -0.575121
1 -0.279948 5.036196 -1.834962
6 -1.620604 4.713803 -0.191195
1 1.854972 2.139183 -1.444507
6 1.704607 3.855890 -2.720326
6 2.908069 3.799773 -0.567388
1 -2.770666 4.226537 1.558379
1 -0.671007 1.376693 2.756908
6 -2.737989 1.819584 2.839870
6 -0.929498 3.202148 3.880261
1 3.736922 -4.371731 1.555945
6 4.975468 -3.147563 0.289145
1 1.203274 -1.717581 2.424480
6 0.938920 -3.744897 1.885901
6 2.358025 -2.899904 3.789958
1 6.042212 -1.710620 -0.911126
1 3.715654 1.191173 -0.313852
6 5.816081 1.155387 0.043385
6 4.649345 0.530137 -2.097167
1 -2.305173 5.506122 -0.510349
1 0.818913 3.585799 -3.314922
1 2.595548 3.529372 -3.281649
1 1.748505 4.957779 -2.665975
1 3.838447 3.637135 -1.139709
1 3.050252 3.346923 0.424820
1 2.788520 4.888533 -0.427189
1 -3.444441 2.664784 2.929890
1 -2.855181 1.193617 3.740111
1 -3.021023 1.210957 1.968495
1 0.122408 3.530793 3.849879
1 -1.092410 2.688672 4.842456
1 -1.554514 4.112803 3.878907
1 5.676076 -3.958630 0.069051
1 0.537025 -3.504419 0.887227
1 0.073036 -3.863852 2.556946
1 1.469737 -4.712618 1.837607
1 2.969183 -3.819375 3.823924
1 1.519588 -3.032268 4.493243
1 2.984686 -2.072868 4.164690
1 5.747296 1.195245 1.143134
1 5.966773 2.184771 -0.323967
1 6.719723 0.574849 -0.212162
1 5.462546 -0.119647 -2.465482
1 4.854292 1.547859 -2.471847
1 3.701170 0.190280 -2.546903
17 -1.173902 -0.932926 1.494908
1 -2.049664 0.378597 -2.776934
6 0.777937 -0.186977 -2.490508
6 1.387980 -1.211034 -2.070775
6 0.402304 0.815766 -3.495850
1 -0.087258 1.693475 -3.043411
1 1.279849 1.168242 -4.067423
1 -0.307627 0.388931 -4.227473
6 2.294161 -2.367136 -2.177220
1 3.323088 -2.055341 -2.427714
1 2.355634 -2.944646 -1.239857
1 1.964129 -3.052360 -2.978140
6 -4.758002 -1.010914 0.816076
6 -6.223016 -1.379919 0.604014
1 -6.372782 -1.740853 -0.431795
6 -6.701242 -2.424643 1.592282
1 -6.573749 -2.076507 2.631249
1 -7.764296 -2.675808 1.452684
1 -6.120703 -3.357867 1.492674
1 -4.132495 -1.919543 0.834050
1 -6.844789 -0.468088 0.677962
1 -4.646831 -0.577808 1.829033
107
TSN'''-Me
6  -0.805121   -1.743742  -0.519973
6  -2.224861   -1.639448  -0.637482
6  -0.240175   -2.944191  -0.084481
6  -3.030814   -2.791449  -0.431077
6  -1.040949   -4.044852  0.199542
1  0.849064   -3.021853  0.016371
6  -2.415241   -3.968303  0.004331
1  -0.589898   -4.984367  0.538294
1  -3.038126   -4.855509  0.165968
6  -2.706358   -0.294860  -1.001092
6  -4.037410   0.150526  -1.078613
7  -1.713351   0.596699  -1.260486
6  -4.320203   1.453269  -1.469282
1  -4.862655   -0.509151  -0.822831
6  -1.983180   1.841700  -1.652883
6  -3.279404   2.320065  -1.781625
1  -5.360934   1.784965  -1.528424
1  -1.098297   2.449206  -1.881131
1  -3.453752   3.350483  -2.100567
45  0.260999   -0.205440  -1.200451
6  1.015396   0.564113  0.607781
7  2.271874   0.294588  1.084016
7  0.639217   1.667903  1.318522
6  2.681780   1.243529  2.009297
6  3.091580   -0.840244  0.768930
6  1.652261   2.101983  2.163828
6  -0.653844   2.287842  1.345923
1  3.667339   1.207835  2.468884
6  2.900597   -2.027379  1.506981
6  4.090256   -0.709991  -0.210857
1  1.526719   2.969443  2.807377
6  -0.794057   3.602634  0.869049
6  -1.713256   1.582296  1.955318
6  3.707928   -3.121752  1.187238
6  1.924070   -2.100015  2.666037
6  4.878351   -1.834440  -0.481311
6  4.372193   0.603655  -0.909063
6  -2.044382   4.213198  1.023004
6  0.351005   4.380860  0.249453
6  -2.941312   2.235782  2.067666
6  -1.513378   0.187963  2.520216
1  3.580875   -4.062382  1.730760
6  4.681817   -3.029916  0.197061
1  1.059802   -1.454050  2.418764
6  1.392907   -3.498550  2.948571
6  2.575535   -1.560156  3.940992
1  5.664569   -1.765000  -1.240315
1  3.518223   1.281032  -0.734248
6  4.491273   0.466257  -2.420491
6  5.628000   1.241142  -0.318269
1  -2.184560   5.239220  0.667498
6  -3.105668   3.540815  1.611052
1  1.147394   3.660447  -0.009767
6  -0.037212   5.073999  -1.051634
6  0.895862   5.415875  1.232260
1  -3.786906   1.718384  2.529487
1  -0.866073   -0.361017  1.812537
6  -0.803416   0.240427  3.872383
6  -2.796545   -0.617019  2.645326
1  5.304693   -3.898868  -0.035321
1  1.015268   -3.999944  2.045940
1  0.561249   -3.444044  3.670677
1  2.166247   -4.143199  3.401604
1  1.867354   -1.601839  4.785877
1  2.912559   -0.517672  3.841362
1  3.454146   -2.173851  4.207110
1  5.336605   -0.178052  -2.721937
1  4.652823   1.458522  -2.871278
1  3.558007   0.076500  -2.857721
1  5.544139   1.387713  0.771856
1  5.815380   2.225822  -0.777084
1  6.518747   0.612860  -0.497536
1  -4.075047   4.036866  1.718987
1  -0.431636   4.364548  -1.794157
1  0.852907   5.540932  -1.503512
1  -0.781199   5.874387  -0.893120
1  0.127233   6.171193  1.474103
1  1.758600   5.947576  0.798163
1  1.222509   4.971041  2.185844
1  0.175467   0.743914  3.821126
1  -0.633130   -0.780284  4.258439
1  -1.421034   0.780383  4.611932
1  -3.433876   -0.261161  3.474480
1  -2.556723   -1.675983  2.844061
1  -3.388329   -0.584576  1.717121
17  1.331747   1.896258  -2.153428
1  1.638090   -1.027039  -1.363674
6  1.123934   -1.518561  -2.761694
6  0.101930   -0.899726  -3.187901
6  2.146343   -2.572918  -2.904048
1  2.029364   -3.077555  -3.875558
1  3.170494   -2.167701  -2.838231
1  2.047558   -3.332168  -2.108793
6  -0.866671   -0.495918  -4.206732
1  -0.766877   0.587195  -4.396059
1  -0.721851   -1.029846  -5.160238
1  -1.901327   -0.670825  -3.864402
6  -4.516167   -2.891984  -0.674943
6  -5.389622   -2.608871  0.544976
1  -5.102408   -3.311161  1.349752
6  -6.868401   -2.725692  0.233893
1  -7.495745   -2.553791  1.122097
1  -7.172829   -1.992263  -0.533607
1  -7.116265   -3.725398  -0.161296
1  -4.730496   -3.925624  -1.003672
1  -4.827507   -2.262620  -1.526007
1  -5.166993   -1.605311  0.952257
104
E_isomer_Ph
6  -1.320740   -0.756419  1.078001
6  -2.478691   -1.563541  0.916767
6  -1.072096   -0.270021  2.369322
6  -3.320012   -1.852830  1.999126
6  -1.914297   -0.552010  3.444369
1  -0.182374   0.342372  2.554686
6  -3.046850   -1.347627  3.263777
1  -4.211168   -2.472683  1.854079
1  -1.681116   -0.149428  4.436595
1  -3.708520   -1.574724  4.104422
6  -2.737116   -2.063898  -0.433639
6  -3.809867   -2.886731  -0.797990
7  -1.834817   -1.674584  -1.364507
6  -3.939611   -3.301629  -2.114691
1  -4.538805   -3.195954  -0.045996
6  -1.951950   -2.080406  -2.632061
6  -2.995699   -2.893640  -3.055087
1  -4.774048   -3.945769  -2.406979
1  -1.153705   -1.739380  -3.304845
1  -3.054283   -3.206058  -4.099897
45  -0.238446   -0.491574  -0.602964
6  1.321926   0.335634  0.378687
7  1.569700   1.621158  0.799187
7  2.352016   -0.385351  0.936611
6  2.682121   1.674315  1.632916
6  0.955708   2.840937  0.343607
6  3.164829   0.417583  1.721933
6  2.752105   -1.734493  0.619624
1  3.022822   2.613274  2.064779
6  1.280631   3.313090  -0.948607
6  0.162960   3.589482  1.232148
1  4.019597   0.010354  2.257601
6  2.306416   -2.802685  1.416028
6  3.647230   -1.918689  -0.454033
6  0.714167   4.523036  -1.355352
6  2.252772   2.579851  -1.851731
6  -0.379055   4.793819  0.769575
6  -0.069828   3.195381  2.676305
6  2.740929   -4.088927  1.083561
6  1.420625   -2.604993  2.624449
6  4.046109   -3.225240  -0.743840
6  4.252235   -0.762329  -1.223954
1  0.932601   4.904764  -2.356170
6  -0.119993   5.250855  -0.513877
1  2.098481   1.494888  -1.712122
6  2.038939   2.833928  -3.336405
6  3.693349   2.923635  -1.473952
1  -1.009947   5.388288  1.438233
1  0.363756   2.193585  2.831718
6  -1.549807   3.113710  3.026639
6  0.654406   4.156732  3.616429
1  2.401624   -4.938985  1.684101
6  3.593077   -4.301978  0.008781 
1  1.043388   -1.570083  2.599315
6  0.205195   -3.522931  2.611135
6  2.220575   -2.775322  3.912881
1  4.731946   -3.400594  -1.577721
1  3.571962   0.101785  -1.129171
6  5.601782   -0.380282  -0.614650
6  4.418700   -1.039043  -2.711908
1  -0.556831   6.192511  -0.858549
1  0.996833   2.655237  -3.645090
1  2.663677   2.137090  -3.917391
1  2.322910   3.859528  -3.632434
1  4.398965   2.351172  -2.101111
1  3.924729   2.694343  -0.420920
1  3.892645   3.998158  -1.635798
1  -2.046137   4.095292  2.941254
1  -1.682897   2.769432  4.065800
1  -2.080531   2.402412  2.373399
1  1.733191   4.215830  3.396687
1  0.538739   3.838237  4.665582
1  0.247843   5.179173  3.533189
1  3.916517   -5.316857  -0.240576
1  -0.348876   -3.440436  1.661273
1  -0.488169   -3.251586  3.425031
1  0.486019   -4.580624  2.755002
1  2.618771   -3.801249  4.002340
1  1.584544   -2.585913  4.793970
1  3.079017   -2.084601  3.959659
1  5.525074   -0.102415  0.448855
1  6.044258   0.474864  -1.153397
1  6.310597   -1.224104  -0.686580
1  5.220713   -1.772758  -2.906395
1  4.706324   -0.109692  -3.233161
1  3.479013   -1.397602  -3.157059
17  0.985844   -0.568513  -2.769511
1  0.448612   -1.793614  -0.210945
6  -2.190507   1.597242  -0.918736
6  -1.371659   1.477764  -1.982655
1  -1.663425   0.951750  -2.896878
6  -3.563732   1.090427  -0.824450
6  -4.223000   1.111950  0.411762
6  -4.258957   0.588258  -1.936331
6  -5.523072   0.633423  0.543299
1  -3.690042   1.491254  1.290302
6  -5.556744   0.109561  -1.808274
1  -3.777312   0.580356  -2.918969
6  -6.194397   0.125907  -0.566455
1  -6.010531   0.651232  1.522703
1  -6.079378   -0.279057  -2.687758
1  -7.217657   -0.248757  -0.468455
1  -0.409334   1.985613  -2.008001
1  -1.832283   2.161969  -0.046838
97
E_isomer_Me
6  1.734685   -1.066955  0.734181
6  3.051811   -1.474744  0.389116
6  1.331078   -1.316448  2.053585
6  3.890761   -2.098790  1.322900
6  2.163736   -1.941750  2.980460
1  0.330647   -1.010251  2.379806
6  3.452053   -2.338259  2.618818
1  4.901913   -2.407205  1.037074
1  1.803083   -2.120902  3.999603
1  4.108822   -2.827892  3.343168
6  3.461004   -1.236727  -0.994977
6  4.698679   -1.593492  -1.544616
7  2.521991   -0.645364  -1.769266
6  4.953077   -1.339180  -2.884330
1  5.454801   -2.073509  -0.919909
6  2.770161   -0.383468  -3.055815
6  3.974368   -0.720658  -3.659925
1  5.915548   -1.619082  -3.322292
1  1.958195   0.127124  -3.590687
1  4.137453   -0.494148  -4.715645
45  0.709089   -0.177950  -0.757084
6  -0.783063   0.428943  0.458618
7  -1.912512   -0.209487  0.913658
7  -0.771084   1.604131  1.174169
6  -2.537196   0.524132  1.917374
6  -2.569837   -1.363151  0.356933
6  -1.817910   1.653763  2.081942
6  0.027217   2.779069  0.920576
1  -3.445591   0.166444  2.398224
6  -3.254349   -1.217149  -0.870870
6  -2.619592   -2.556485  1.099443
1  -1.952701   2.503231  2.748101
6  1.224614   2.978701  1.627856
6  -0.473292   3.728649  0.006712
6  -3.931133   -2.332126  -1.369870
6  -3.331821   0.110540  -1.597444
6  -3.321255   -3.637853  0.554876
6  -1.975549   -2.722254  2.460313
6  1.952237   4.142254  1.363392
6  1.715189   2.012046  2.680612
6  0.296499   4.870865  -0.223014
6  -1.834584   3.600473  -0.646090
1  -4.455573   -2.253568  -2.325969
6  -3.959162   -3.534451  -0.672043
1  -2.367802   0.632417  -1.465481
6  -3.526742   -0.008795  -3.101216
6  -4.443757   0.972533  -0.999492
1  -3.364456   -4.581255  1.108694
1  -1.442761   -1.787604  2.702681
6  -0.949836   -3.850739  2.469776
6  -3.030268   -2.937772  3.542505
1  2.891683   4.317780  1.897054
6  1.500914   5.074788  0.439139
1  1.131889   1.082826  2.579341
6  3.180458   1.640022  2.497183
6  1.462178   2.567590  4.079378
1  -0.060758   5.619786  -0.935744
1  -2.109044   2.531901  -0.647757
6  -2.877312   4.361620  0.173552
6  -1.868918   4.072609  -2.093260
1  -4.495999   -4.393438  -1.084851
1  -2.784184   -0.676583  -3.565881
1  -3.391161   0.981625  -3.563829
1  -4.537388   -0.366179  -3.367764
1  -4.477541   1.955908  -1.500156
1  -4.307808   1.154037  0.079389
1  -5.427771   0.489735  -1.137917
1  -1.420547   -4.827498  2.264661
1  -0.462672   -3.922974  3.456617
1  -0.155927   -3.687370  1.722174
1  -3.773647   -2.123717  3.562579
1  -2.560711   -2.992832  4.538468
1  -3.581970   -3.880457  3.385898
1  2.088179   5.975889  0.239373
1  3.377728   1.282204  1.472811
1  3.458623   0.829831  3.192185
1  3.851678   2.492633  2.699202
1  2.029357   3.500257  4.246024
1  1.776048   1.842813  4.849482
1  0.396084   2.796989  4.244023
1  -2.940017   4.006983  1.215014
1  -3.879065   4.257798  -0.277029
1  -2.634191   5.438478  0.204207
1  -1.764195   5.169089  -2.171435
1  -2.843420   3.816354  -2.543840
1  -1.082506   3.585542  -2.689117
17  -0.145378   1.130832  -2.689177
1  1.380073   1.098840  -0.263710
6  0.077252   -2.902451  -1.282570
6  -0.257477   -2.089436  -2.299875
1  0.386627   -1.984425  -3.180684
1  -1.224357   -1.586837  -2.340172
1  -0.634818   -3.017635  -0.454562
6  1.290400   -3.764557  -1.242884
1  1.999813   -3.511114  -2.048960
1  1.818464   -3.693254  -0.276332
1  1.003607   -4.823615  -1.366946
112
E''_isomer_Ph
6  -0.685154   1.444827  -0.081813
6  -1.931299   1.642548  0.571489
6  -0.446061   2.201343  -1.236738
6  -2.878520   2.538429  0.057749
6  -1.391782   3.089633  -1.746242
1  0.505633   2.096791  -1.769458
6  -2.614125   3.263699  -1.098703
1  -3.847169   2.666313  0.554236
1  -1.167533   3.657737  -2.656112
1  -3.361635   3.958952  -1.491436
6  -2.169913   0.840591  1.773516
6  -3.313711   0.913251  2.575804
7  -1.179078   -0.029222  2.078982
6  -3.431344   0.076668  3.675819
1  -4.110022   1.618073  2.325015
6  -1.290345   -0.837474  3.137715
6  -2.405611   -0.821118  3.964671
1  -4.323941   0.123073  4.306708
1  -0.448064   -1.522488  3.294566
1  -2.462464   -1.503403  4.815546
45  0.489760   0.048200  0.754077
6  1.935527   0.270764  -0.586093
7  2.058358   -0.408078  -1.769027
7  2.927614   1.212006  -0.628912
6  3.065462   0.142999  -2.551712
6  1.433459   -1.673391  -2.068015
6  3.614865   1.150655  -1.835765
6  3.369807   2.018109  0.479767
1  3.295242   -0.244427  -3.542226
6  2.126248   -2.848397  -1.701979
6  0.198150   -1.712132  -2.735898
1  4.436777   1.828628  -2.058315
6  3.127465   3.401703  0.479569
6  4.085355   1.380929  1.518057
6  1.514942   -4.072312  -1.978923
6  3.527085   -2.825521  -1.124727
6  -0.371249   -2.966604  -2.982600
6  -0.483373   -0.474741  -3.275311
6  3.606343   4.148250  1.562102
6  2.398835   4.119511  -0.635309
6  4.529756   2.173494  2.577090
6  4.433396   -0.091336  1.470979
1  2.026216   -4.998899  -1.701369
6  0.271744   -4.134472  -2.599273
1  3.679400   -1.844405  -0.643887
6  3.772913   -3.890001  -0.063456
6  4.555947   -2.966080  -2.247181
1  -1.337749   -3.023177  -3.494009
1  0.052651   0.402987  -2.881600
6  -1.934457   -0.346580  -2.829742
6  -0.367900   -0.438533  -4.797312
1  3.429414   5.228305  1.585345
6  4.293611   3.543744  2.603296
1  2.012512   3.357703  -1.332518
6  1.202118   4.907768  -0.113515
6  3.349739   5.021872  -1.417029
1  5.079375   1.706525  3.398833
1  3.610313   -0.617692  0.960974
6  5.717388   -0.306982  0.671767
6  4.537790   -0.744035  2.839818
1  -0.193417   -5.104894  -2.795801
1  2.991093   -3.868781  0.710529
1  4.743532   -3.708892  0.429485
1  3.825084   -4.902600  -0.500523
1  5.581406   -2.912669  -1.843698
1  4.455841   -2.182453  -3.014914
1  4.444933   -3.941180  -2.753567
1  -2.557112   -1.189563  -3.179049
1  -2.371293   0.582082  -3.235861
1  -2.020376   -0.288888  -1.730860
1  0.682663   -0.502092  -5.127450
1  -0.795138   0.495455  -5.199014
1  -0.910369   -1.280666  -5.261168
1  4.653419   4.144347  3.443814
1  0.510406   4.265295  0.456789
1  0.633140   5.345716  -0.950559
1  1.517203   5.739223  0.540042
1  3.760320   5.821271  -0.776321
1  2.826530   5.507571  -2.257359
1  4.205278   4.460898  -1.828471
1  5.641859   0.081213  -0.358197
1  5.955497   -1.383054  0.606460
1  6.571373   0.197346  1.158359
1  5.426608   -0.407438  3.402686
1  4.617582   -1.836791  2.719268
1  3.637105   -0.552068  3.444053
17  1.442332   -1.987326  1.679834
1  0.928510   1.396858  1.304898
6  -4.857661   -0.620200  -0.082959
6  -4.178276   -1.552246  0.308945
6  -5.631336   0.511501  -0.470877
6  -6.542914   1.083664  0.434850
6  -5.473683   1.100102  -1.737002
6  -7.261791   2.221632  0.087415
1  -6.671004   0.620422  1.418325
6  -6.201125   2.233778  -2.079837
1  -4.760490   0.659902  -2.439793
6  -7.091710   2.802244  -1.169502
1  -7.964493   2.659509  0.802365
1  -6.067228   2.683889  -3.067919
1  -7.658884   3.696958  -1.441679
6  -3.355504   -2.611172  0.793035
6  -2.083799   -2.836731  0.240793
6  -3.792316   -3.420860  1.856475
6  -1.265536   -3.840532  0.744692
1  -1.734021   -2.203801  -0.581699
6  -2.970978   -4.426347  2.352129
1  -4.782289   -3.242508  2.287353
6  -1.706356   -4.635957  1.800946
1  -0.265180   -3.976520  0.323613
1  -3.318254   -5.051683  3.180137
1  -1.056589   -5.419164  2.201645
98
E''_isomer_Me
6  1.912111   -0.737901  0.735473
6  3.117602   -1.332895  0.275551
6  1.796461   -0.544209  2.121180
6  4.136123   -1.694511  1.168125
6  2.795823   -0.936941  3.010187
1  0.889711   -0.085801  2.533514
6  3.978721   -1.505868  2.535637
1  5.056961   -2.156970  0.797118
1  2.654908   -0.784726  4.086304
1  4.770188   -1.804862  3.228431
6  3.183445   -1.644113  -1.154420
6  4.278100   -2.224352  -1.805897
7  2.047335   -1.382069  -1.840867
6  4.178767   -2.552493  -3.150868
1  5.200206   -2.420759  -1.254475
6  1.947856   -1.697870  -3.134107
6  2.990556   -2.295382  -3.831035
1  5.027599   -3.009714  -3.667551
1  0.988485   -1.443360  -3.602777
1  2.869381   -2.544269  -4.887298
45  0.550422   -0.385284  -0.700843
6  -0.620621   0.709083  0.485884
7  -1.721941   0.342046  1.216439
7  -0.402280   2.015567  0.848393
6  -2.137854   1.382323  2.042378
6  -2.599698   -0.786916  1.010675
6  -1.314877   2.426373  1.810749
6  0.483696   2.958990  0.213891
1  -2.992016   1.268800  2.706983
6  -3.738336   -0.574620  0.208262
6  -2.377543   -1.998846  1.692902
1  -1.289487   3.432356  2.225217
6  1.652660   3.368421  0.876976
6  0.095211   3.503839  -1.030610
6  -4.673670   -1.610647  0.118395
6  -4.011183   0.727664  -0.517829
6  -3.341439   -3.001595  1.561223
6  -1.155036   -2.206408  2.559289
6  2.460375   4.321707  0.247225
6  2.042958   2.865841  2.249601
6  0.944485   4.444386  -1.615787
6  -1.219493   3.152465  -1.693609
1  -5.568858   -1.469693  -0.495473
6  -4.483083   -2.808768  0.791643
1  -3.086912   1.329495  -0.501019
6  -4.365470   0.514769  -1.984881
6  -5.106199   1.524013  0.188756
1  -3.196841   -3.955932  2.073218
1  -0.303541   -1.776958  2.003435
6  -0.825527   -3.667656  2.820759
6  -1.274784   -1.470617  3.892680
1  3.377794   4.655659  0.742059
6  2.117581   4.848864  -0.988733
1  1.394415   2.007439  2.492142
6  3.483537   2.372105  2.294043
6  1.804628   3.945090  3.303018
1  0.676783   4.875658  -2.583966
1  -1.444252   2.098240  -1.460114
6  -2.346390   4.027445  -1.146702
6  -1.180234   3.233646  -3.211605
1  -5.227235   -3.606607  0.710890
1  -3.590667   -0.077826  -2.496135
1  -4.432727   1.489995  -2.497824
1  -5.344225   0.018856  -2.106295
1  -5.278913   2.485916  -0.322777
1  -4.854458   1.743169  1.239211
1  -6.061323   0.970124  0.185623
1  -1.552184   -4.136637  3.507749
1  0.164624   -3.742916  3.301524
1  -0.800499   -4.255025  1.888800
1  -1.417779   -0.384962  3.774987
1  -0.362743   -1.620647  4.495817
1  -2.128650   -1.862433  4.473507
1  2.765905   5.588702  -1.467321
1  3.668930   1.601652  1.527391
1  3.707511   1.925658  3.277113
1  4.203231   3.194075  2.138825
1  2.435067   4.831047  3.112798
1  2.050383   3.571094  4.310822
1  0.756111   4.286457  3.315118
1  -2.457759   3.943160  -0.052742
1  -3.310409   3.739280  -1.601883
1  -2.166758   5.091325  -1.384139
1  -1.117277   4.274598  -3.575897
1  -2.102066   2.795198  -3.627199
1  -0.337363   2.656433  -3.622406
17  -0.940656   -0.169520  -2.635152
1  1.349381   0.893794  -0.847673
6  0.252364   -3.749786  -0.498463
6  -0.756180   -3.482223  -1.122392
6  1.447398   -4.171616  0.213050
1  2.332779   -4.159378  -0.446515
1  1.675032   -3.515512  1.070636
1  1.336248   -5.200017  0.596201
6  -1.957852   -3.261629  -1.905786
1  -1.719623   -2.762607  -2.858374
1  -2.469771   -4.215890  -2.113257
1  -2.666832   -2.598813  -1.383550
120
M_isomer_Ph
6  1.002477   -0.310678  0.164870
6  2.201406   -0.630893  -0.542720
6  1.087193   -0.071582  1.541042
6  3.453839   -0.644969  0.137013
6  2.298735   -0.132476  2.214494
1  0.183867   0.181946  2.104405
6  3.468181   -0.405775  1.513301
1  2.342136   0.054662  3.293236
1  4.415091   -0.407342  2.057223
6  1.987050   -0.948911  -1.969344
6  2.934907   -1.379701  -2.914037
7  0.693607   -0.827181  -2.375952
6  2.560557   -1.640052  -4.225406
1  3.971243   -1.533848  -2.637280
6  0.332557   -1.065777  -3.638826
6  1.236699   -1.475006  -4.609361
1  3.314692   -1.973736  -4.944260
1  -0.730990   -0.898263  -3.856025
1  0.900002   -1.655259  -5.632331
45  -0.690936   -0.219378  -0.915788
6  -1.790702   0.667179  0.548624
7  -2.490192   0.163416  1.620978
7  -1.845947   2.026890  0.747500
6  -2.907307   1.178468  2.475834
6  -2.955292   -1.183115  1.827192
6  -2.496591   2.341992  1.930317
6  -1.507674   3.069750  -0.189879
1  -3.470462   0.961995  3.381557
6  -4.045126   -1.640326  1.051791
6  -2.409085   -1.953993  2.869449
1  -2.610795   3.373080  2.258262
6  -0.235044   3.663592  -0.142469
6  -2.511000   3.508071  -1.078097
6  -4.510452   -2.935214  1.290063
6  -4.741550   -0.751927  0.040652
6  -2.913390   -3.245369  3.060854
6  -1.370185   -1.429733  3.840097
6  0.039205   4.690240  -1.050179
6  0.807226   3.266957  0.877529
6  -2.180904   4.535620  -1.964854
6  -3.930864   2.979095  -1.041510
1  -5.340529   -3.322030  0.692807
6  -3.941027   -3.739098  2.271281
1  -3.979813   -0.111340  -0.435151
6  -5.406186   -1.506295  -1.100823
6  -5.765302   0.143246  0.738327
1  -2.495631   -3.870378  3.856651
1  -1.037424   -0.439631  3.486590
6  -0.141130   -2.325416  3.923269
6  -1.988044   -1.233267  5.223083
1  1.025250   5.165292  -1.037594
6  -0.918714   5.116411  -1.960055
1  0.492307   2.311189  1.325409
6  2.178772   3.035506  0.257538
6  0.877698   4.300351  1.998331
1  -2.934541   4.890902  -2.673548
1  -3.907089   1.972593  -0.588466
6  -4.802907   3.877682  -0.164011
6  -4.561345   2.836039  -2.420413
1  -4.317596   -4.753097  2.433711
1  -4.717502   -2.214000  -1.589034
1  -5.721057   -0.788541  -1.874989
1  -6.305181   -2.058472  -0.773305
1  -6.246817   0.816146  0.007575
1  -5.313890   0.774332  1.521367
1  -6.558329   -0.464132  1.210380
1  -0.388852   -3.325644  4.317196
1  0.612111   -1.886663  4.598587
1  0.333555   -2.453276  2.937171
1  -2.867659   -0.569201  5.192032
1  -1.255128   -0.793549  5.919533
1  -2.319551   -2.194235  5.652357
1  -0.683759   5.917253  -2.667361
1  2.121200   2.323429  -0.583401
1  2.874629   2.613517  1.003409
1  2.627035   3.973467  -0.114819
1  1.192827   5.285884  1.612497
1  1.606231   3.992388  2.767125
1  -0.099670   4.436380  2.491328
1  -4.426154   3.958851  0.868271
1  -5.834179   3.488363  -0.114253
1  -4.850132   4.899111  -0.581376
1  -4.786628   3.817915  -2.872674
1  -5.520908   2.297721  -2.338182
1  -3.911485   2.261264  -3.096779
17  -2.546039   0.058143  -2.564213
1  -0.267380   1.216759  -1.204746
6  -0.629384   -2.991550  -0.266613
6  -1.635562   -2.679695  -1.108229
1  -1.578191   -2.856006  -2.187047
6  0.641840   -3.623848  -0.637783
6  1.692121   -3.661911  0.289996
6  0.849766   -4.209112  -1.896688
6  2.913749   -4.247121  -0.029525
1  1.549397   -3.201523  1.273461
6  2.067834   -4.795276  -2.218307
1  0.040309   -4.211383  -2.633205
6  3.107826   -4.814384  -1.287372
1  3.720395   -4.254052  0.710784
1  2.207663   -5.246292  -3.205516
1  4.064563   -5.281270  -1.540600
1  -2.592066   -2.320994  -0.732014
1  -0.771413   -2.805764  0.806697
6  4.773156   -0.911685  -0.549961
1  4.844817   -0.287571  -1.458789
1  4.777494   -1.956958  -0.914919
6  6.044794   -0.715553  0.261018
1  6.886711   -1.063748  -0.367658
1  6.054769   -1.395162  1.132748
6  6.361039   0.684717  0.724094
6  7.251030   0.867285  1.789675
6  5.827828   1.822273  0.110282
6  7.606462   2.140667  2.224294
1  7.672911   -0.014147  2.287118
6  6.180833   3.099841  0.542406
1  5.113892   1.719038  -0.713551
6  7.071600   3.265751  1.599440
1  8.303688   2.255505  3.059717
1  5.749552   3.975177  0.047156
1  7.345305   4.268915  1.938757
136
M''_isomer_Ph
6  0.165415   0.401382  0.638042
6  1.449063   0.496377  0.027788
6  0.104400   0.415215  2.038374
6  2.591744   0.791146  0.811038
6  1.253629   0.547416  2.816180
1  -0.863811   0.325670  2.544947
6  2.483588   0.768724  2.206712
1  1.177919   0.534398  3.909700
1  3.378200   0.965074  2.807847
6  1.470324   0.198270  -1.416821
6  2.604201   -0.110081  -2.182603
7  0.244100   0.116951  -1.988143
6  2.465894   -0.434885  -3.523958
1  3.593553   -0.104965  -1.725714
6  0.110130   -0.178329  -3.285608
6  1.199188   -0.447335  -4.101080
1  3.351935   -0.678991  -4.116787
1  -0.922652   -0.214889  -3.652785
1  1.046333   -0.691992  -5.154311
45  -1.382327   0.308241  -0.641529
6  -2.786631   0.553905  0.748715
7  -3.526186   -0.410500  1.379570
7  -3.162501   1.723450  1.353523
6  -4.304993   0.149713  2.386092
6  -3.756981   -1.752198  0.892668
6  -4.082781   1.482256  2.366902
6  -2.874817   3.052659  0.878826
1  -4.949256   -0.462814  3.013337
6  -4.913767   -1.964589  0.115811
6  -2.861501   -2.793104  1.209265
1  -4.497429   2.291540  2.964722
6  -2.000083   3.880106  1.603188
6  -3.542505   3.500229  -0.282349
6  -5.143833   -3.255261  -0.366953
6  -5.936895   -0.881162  -0.166689
6  -3.138468   -4.061031  0.689466
6  -1.654381   -2.567902  2.096937
6  -1.783335   5.177067  1.125351
6  -1.323953   3.447310  2.885489
6  -3.279840   4.799915  -0.718656
6  -4.571647   2.655505  -1.002442
1  -6.030536   -3.446051  -0.978747
6  -4.262753   -4.290856  -0.093953
1  -5.457214   0.096212  0.010801
6  -6.432594   -0.875302  -1.607965
6  -7.124540   -1.006620  0.787224
1  -2.457703   -4.889129  0.898003
1  -1.140037   -1.669385  1.712529
6  -0.645076   -3.703872  2.068719
6  -2.056620   -2.298694  3.546068
1  -1.106769   5.841715  1.671484
6  -2.408131   5.632353  -0.026023
1  -1.450566   2.355517  2.981232
6  0.172496   3.734763  2.868936
6  -1.987523   4.105696  4.092819
1  -3.777362   5.170910  -1.618965
1  -4.301949   1.595359  -0.868155
6  -5.954200   2.884322  -0.393621
6  -4.600722   2.874298  -2.506973
1  -4.452649   -5.291655  -0.492492
1  -5.591401   -0.840314  -2.316464
1  -7.069432   0.009575  -1.780972
1  -7.054714   -1.758503  -1.834151
1  -7.845033   -0.187192  0.622652
1  -6.824797   -0.984336  1.847033
1  -7.658107   -1.958576  0.618558
1  -1.047194   -4.619812  2.536832
1  0.252642   -3.420015  2.642744
1  -0.313033   -3.957423  1.049049
1  -2.723601   -1.430123  3.657815
1  -1.159682   -2.105979  4.159751
1  -2.571402   -3.177825  3.972507
1  -2.219966   6.648019  -0.386118
1  0.661428   3.292168  1.984992
1  0.656864   3.311543  3.764444
1  0.380636   4.818365  2.871105
1  -1.887524   5.204103  4.048242
1  -1.520373   3.765967  5.032057
1  -3.064780   3.878038  4.149244
1  -5.978936   2.658269  0.686240
1  -6.705580   2.243820  -0.887280
1  -6.270558   3.934871  -0.522217
1  -5.006206   3.863634  -2.783561
1  -5.242368   2.110981  -2.976097
1  -3.596098   2.764232  -2.945297
17  -3.042491   -0.276527  -2.326991
1  -1.073148   1.780020  -0.432853
6  2.421180   -3.577180  0.180923
6  1.701089   -3.617855  -0.801023
6  3.880319   1.268079  0.241059
6  3.865638   2.358839  -0.559471
1  2.888335   2.845834  -0.690470
6  0.849089   -3.663701  -1.942811
6  -0.450934   -3.130842  -1.888615
6  1.286015   -4.274830  -3.131844
6  -1.296294   -3.222896  -2.988454
1  -0.796718   -2.638901  -0.969124
6  0.439204   -4.356664  -4.230216
1  2.297649   -4.689111  -3.173681
6  -0.853547   -3.835998  -4.159587
1  -2.293970   -2.777450  -2.926251
1  0.788590   -4.835910  -5.149668
1  -1.520114   -3.905735  -5.024280
6  3.216200   -3.546653  1.363262
6  4.289597   -4.435442  1.544314
6  2.926757   -2.612903  2.372884
6  5.051637   -4.385725  2.706736
1  4.511852   -5.166863  0.761664
6  3.696328   -2.566415  3.528775
1  2.095820   -1.915397  2.224937
6  4.760711   -3.450846  3.700224
1  5.882838   -5.084547  2.840022
1  3.463914   -1.825357  4.300104
1  5.366366   -3.411997  4.610088
6  5.112511   0.566373  0.670445
6  5.228121   -0.821490  0.516002
6  6.175008   1.269292  1.255355
6  6.393677   -1.482939  0.894891
1  4.393761   -1.389892  0.087970
6  7.333027   0.605806  1.647372
1  6.083107   2.351397  1.395851
6  7.449459   -0.771474  1.460521
1  6.465157   -2.566709  0.760306
1  8.152374   1.168202  2.104924
1  8.361960   -1.292012  1.765637
6  4.952443   2.970533  -1.328693
6  6.049957   2.247162  -1.828091
6  4.862839   4.335148  -1.648668
6  7.027963   2.875881  -2.590296
1  6.132147   1.175197  -1.623682
6  5.846637   4.965960  -2.402492
1  3.999417   4.905745  -1.289657
6  6.937203   4.238414  -2.874267
1  7.870709   2.292679  -2.973179
1  5.757852   6.032384  -2.629873
1  7.710475   4.728986  -3.472463
106
M_isomer_Me
6  -1.711936   -0.095554  -0.397930
6  -3.028679   0.163834  0.092256
6  -1.576419   -0.574575  -1.705994
6  -4.169763   -0.136744  -0.708050
6  -2.682410   -0.826968  -2.503913
1  -0.579239   -0.757741  -2.118137
6  -3.963642   -0.625377  -2.000547
1  -2.552093   -1.200378  -3.525939
1  -4.819860   -0.859874  -2.635676
6  -3.060447   0.703864  1.465385
6  -4.174927   1.159806  2.190561
7  -1.841008   0.763449  2.066170
6  -4.031774   1.614057  3.495419
1  -5.161891   1.180817  1.742339
6  -1.698691   1.208256  3.316585
6  -2.774808   1.630910  4.085048
1  -4.911755   1.962413  4.044035
1  -0.663787   1.239209  3.683225
1  -2.616029   1.981833  5.106697
45  -0.189386   0.243464  0.870477
6  1.257107   -0.008296  -0.527831
7  1.876054   -1.135289  -1.016963
7  1.721053   0.991249  -1.351094
6  2.643149   -0.842807  -2.140291
6  1.964557   -2.441487  -0.416602
6  2.539067   0.485888  -2.350239
6  1.620363   2.416494  -1.148582
1  3.198690   -1.618161  -2.664235
6  2.790295   -2.602219  0.719364
6  1.341811   -3.535888  -1.043468
1  2.976580   1.132921  -3.107506
6  0.587858   3.140899  -1.767440
6  2.624466   3.044450  -0.382934
6  2.910845   -3.886114  1.255349
6  3.586909   -1.454623  1.305548
6  1.506896   -4.800964  -0.468336
6  0.528375   -3.422113  -2.316444
6  0.546208   4.522876  -1.562363
6  -0.437800   2.492963  -2.668586
6  2.531533   4.426810  -0.207546
6  3.826632   2.300079  0.163130
1  3.529617   -4.036681  2.144044
6  2.270237   -4.975588  0.676077
1  2.983672   -0.535559  1.213851
6  3.887070   -1.594150  2.790176
6  4.889973   -1.263463  0.530071
1  1.022924   -5.666370  -0.932548
1  0.467778   -2.356026  -2.590665
6  -0.897488   -3.928215  -2.127070
6  1.215158   -4.149691  -3.469466
1  -0.252952   5.108019  -2.028651
6  1.500276   5.160306  -0.781584
1  -0.341032   1.401486  -2.557438
6  -1.865319   2.856106  -2.280276
6  -0.162603   2.835078  -4.130116
1  3.289419   4.940175  0.391135
1  3.546908   1.237908  0.276701
6  4.989196   2.393255  -0.826101
6  4.278308   2.788253  1.532784
1  2.380803   -5.971581  1.114553
1  2.980770   -1.800883  3.381087
1  4.297788   -0.644268  3.167548
1  4.630115   -2.384771  2.997645
1  5.446511   -0.396427  0.927155
1  4.722442   -1.086331  -0.545103
1  5.536834   -2.153801  0.627477
1  -0.916733   -5.002450  -1.875478
1  -1.480635   -3.798861  -3.054136
1  -1.422822   -3.377419  -1.329166
1  2.242846   -3.785358  -3.633711
1  0.652815   -4.011165  -4.407620
1  1.279420   -5.234955  -3.280487
1  1.447106   6.241853  -0.625879
1  -2.053771   2.649845  -1.213445
1  -2.585191   2.260874  -2.867308
1  -2.085018   3.921213  -2.469218
1  -0.253444   3.920614  -4.310290
1  -0.882552   2.325150  -4.792203
1  0.852930   2.534786  -4.438159
1  4.739050   1.982852  -1.817490
1  5.867939   1.843458  -0.448172
1  5.289824   3.446292  -0.969126
1  4.744426   3.788004  1.480922
1  5.043749   2.103503  1.936854
1  3.438700   2.812053  2.242842
17  1.478602   1.045847  2.548570
1  -0.227600   1.663061  0.309748
6  -0.852736   -2.418500  1.599673
6  -0.044051   -1.817503  2.490495
1  -0.440504   -1.375408  3.411978
1  1.041263   -1.838548  2.387814
1  -0.394406   -2.901670  0.726593
6  -2.321931   -2.596469  1.762777
1  -2.719059   -1.988223  2.593044
1  -2.874508   -2.337556  0.843185
1  -2.549877   -3.654724  1.980742
6  -5.592831   -0.000205  -0.220379
1  -5.676485   -0.487270  0.770716
1  -5.823054   1.068256  -0.038596
6  -6.697746   -0.559474  -1.102415
1  -6.702171   -0.043820  -2.079722
1  -6.498449   -1.624008  -1.323762
6  -8.058998   -0.414877  -0.448779
1  -8.292420   0.642755  -0.237830
1  -8.865774   -0.809588  -1.085223
1  -8.102110   -0.954537  0.512578
108
M''_isomer_Me
6  1.604575   -0.067722  0.583619
6  2.921779   -0.227809  0.059129
6  1.462959   0.057731  1.972477
6  4.042320   -0.279928  0.926561
6  2.557103   -0.007533  2.827809
1  0.468956   0.195485  2.412000
6  3.835824   -0.172466  2.306198
1  2.413958   0.077906  3.910989
1  4.704568   -0.230514  2.970217
6  2.983919   -0.411334  -1.401133
6  4.139911   -0.438886  -2.193411
7  1.774864   -0.588613  -1.991615
6  4.043406   -0.726714  -3.548815
1  5.107580   -0.217298  -1.743619
6  1.679026   -0.869746  -3.292577
6  2.795829   -0.973853  -4.111972
1  4.947504   -0.752927  -4.164215
1  0.655075   -0.991347  -3.668420
1  2.677785   -1.215540  -5.170277
45  0.110855   -0.157197  -0.758230
6  -1.282110   0.489909  0.519521
7  -2.157854   -0.220877  1.300434
7  -1.467170   1.791999  0.914173
6  -2.822898   0.619378  2.189000
6  -2.648106   -1.566413  1.106413
6  -2.393038   1.875171  1.945512
6  -0.970936   2.975387  0.258391
1  -3.548322   0.229002  2.900048
6  -3.860603   -1.710959  0.402900
6  -2.000234   -2.659070  1.714477
1  -2.659735   2.829939  2.394714
6  0.049279   3.728461  0.863286
6  -1.589196   3.378039  -0.946432
6  -4.430422   -2.986923  0.343244
6  -4.584369   -0.550656  -0.251006
6  -2.608715   -3.912614  1.613678
6  -0.709729   -2.483359  2.482041
6  0.474294   4.892173  0.213370
6  0.667670   3.365761  2.195567
6  -1.117636   4.542412  -1.555123
6  -2.766751   2.632782  -1.538098
1  -5.375387   -3.124626  -0.191756
6  -3.817336   -4.075769  0.946497
1  -3.901052   0.314993  -0.261478
6  -4.947418   -0.837286  -1.703460
6  -5.826119   -0.160474  0.547443
1  -2.127125   -4.780671  2.070814
1  -0.097906   -1.770542  1.904321
6  0.108944   -3.757315  2.619063
6  -0.958926   -1.886648  3.865811
1  1.269376   5.495159  0.663104
6  -0.093789   5.292233  -0.986654
1  0.338720   2.345791  2.454883
6  2.190251   3.348628  2.137285
6  0.174999   4.309662  3.289791
1  -1.567907   4.872977  -2.494794
1  -2.626132   1.557865  -1.330394
6  -4.070796   3.095463  -0.889246
6  -2.865792   2.745545  -3.051282
1  -4.280142   -5.065449  0.890001
1  -4.055873   -1.123689  -2.283312
1  -5.372378   0.068659  -2.169559
1  -5.709505   -1.631165  -1.790741
1  -6.321694   0.712901  0.090662
1  -5.589608   0.096760  1.592885
1  -6.559277   -0.985802  0.567338
1  -0.353690   -4.473283  3.321526
1  1.107169   -3.513023  3.021097
1  0.243515   -4.262049  1.648793
1  -1.470300   -0.911646  3.827645
1  -0.003664   -1.739913  4.398618
1  -1.580397   -2.568837  4.472800
1  0.257646   6.201660  -1.482817
1  2.554558   2.683332  1.336773
1  2.608197   2.984223  3.090417
1  2.605072   4.356497  1.964101
1  0.483146   5.349712  3.085092
1  0.591453   4.025438  4.270455
1  -0.924493   4.305504  3.374755
1  -4.071872   2.963336  0.205604
1  -4.924790   2.524028  -1.293453
1  -4.252995   4.164979  -1.097630
1  -3.167030   3.756520  -3.379225
1  -3.625748   2.038924  -3.422936
1  -1.914503   2.478769  -3.537326
17  -1.513838   -0.426849  -2.579629
1  0.462651   1.310465  -0.895693
6  0.857305   -3.475473  -0.791122
6  -0.252765   -3.539997  -1.281528
6  2.206222   -3.488305  -0.252870
1  2.937914   -3.171558  -1.017647
1  2.318682   -2.807170  0.609253
1  2.493000   -4.500242  0.079639
6  -1.552596   -3.694967  -1.907161
1  -1.571451   -3.213271  -2.897363
1  -1.810794   -4.761330  -2.017940
1  -2.345664   -3.210210  -1.315515
6  5.457605   -0.529400  0.514852
6  6.343551   0.480249  0.548479
1  5.944325   1.469446  0.816278
6  5.788462   -1.962779  0.225240
1  6.841450   -2.120105  -0.049730
1  5.569466   -2.583044  1.113064
1  5.161648   -2.363987  -0.590318
6  7.804753   0.430256  0.261144
1  8.392865   0.757555  1.136128
1  8.158924   -0.573234  -0.017195
1  8.073897   1.118317  -0.559009








