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         74
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         74
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         74
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         74
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         74
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         74
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         74
    20.000000000000000000
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         74
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         74
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         74
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         74
    30.000000000000000000
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         74
    32.500000000000000000
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
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         74
    82.500000000000000000
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         74
    85.000000000000000000
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         74
    87.500000000000017763
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         74
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         74
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         74
    95.000000000000000000
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         74
    97.500000000000000000
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H   -0.728   2.104  -4.694
C   -0.182   2.667  -2.924
H   -0.297   2.371  -1.893
C    1.276   3.212  -3.085
H    1.420   4.139  -2.539
H    1.975   2.504  -2.628
C    1.802   3.688  -4.464
H    1.134   4.479  -4.846
H    1.918   2.895  -5.223
S    3.444   4.416  -4.109
LP   3.746   3.862  -3.876
LP   3.246   5.071  -4.139
C    4.317   4.447  -5.692
H    4.379   3.430  -6.063
H    5.350   4.701  -5.503
H    3.837   5.178  -6.320
C   -1.272   3.713  -3.141
O   -1.781   3.643  -4.272
         74
   100.000000000000000000
N   -0.075   1.121   1.036
H   -0.984   1.049   0.588
C    0.219   0.075   2.041
H    0.813  -0.693   1.535
C    1.088   0.578   3.174
H    2.077   0.895   2.794
H    0.642   1.540   3.486
C    1.198  -0.307   4.340
C    2.384  -1.020   4.553
H    3.293  -0.914   3.963
C    2.483  -1.788   5.709
H    3.491  -2.057   5.984
C    1.323  -2.055   6.490
O    1.343  -3.067   7.456
H    0.408  -3.202   7.635
C    0.151  -1.267   6.315
H   -0.638  -1.411   7.025
C    0.137  -0.354   5.268
H   -0.674   0.351   5.200
C   -1.178  -0.414   2.481
O   -2.056   0.447   2.749
N   -1.331  -1.734   2.476
H   -0.650  -2.338   2.007
C   -2.694  -2.228   2.529
H   -2.606  -3.289   2.754
H   -3.387  -1.746   3.247
C   -3.127  -1.972   1.094
O   -3.032  -2.769   0.199
N   -3.767  -0.904   0.725
H   -3.692  -0.168   1.403
C   -4.032  -0.567  -0.687
H   -4.893   0.086  -0.722
H   -4.258  -1.474  -1.240
C   -2.730  -0.008  -1.117
O   -2.515   1.161  -0.825
N   -1.923  -0.789  -1.799
H   -2.231  -1.680  -2.171
C   -0.659  -0.330  -2.380
H   -0.201   0.317  -1.614
C    0.299  -1.516  -2.697
H    0.911  -1.272  -3.570
H   -0.268  -2.399  -2.994
C    1.088  -2.092  -1.540
C    2.217  -1.409  -0.951
H    2.477  -0.376  -1.059
C    3.049  -2.040   0.000
H    3.795  -1.465   0.526
C    2.662  -3.302   0.484
H    3.311  -3.738   1.231
C    1.397  -3.784   0.199
H    1.001  -4.496   0.911
C    0.588  -3.166  -0.772
H   -0.353  -3.531  -1.123
C   -1.097   0.368  -3.641
O   -1.830  -0.260  -4.443
N   -0.518   1.586  -3.861
H   -0.751   2.035  -4.726
C   -0.166   2.676  -2.936
H   -0.336   2.404  -1.884
C    1.284   3.232  -3.076
H    1.429   4.157  -2.521
H    1.933   2.498  -2.591
C    1.795   3.693  -4.454
H    1.160   4.529  -4.805
H    1.931   2.897  -5.202
S    3.452   4.406  -4.104
LP   3.714   3.808  -3.897
LP   3.253   5.057  -4.086
C    4.325   4.444  -5.680
H    4.342   3.412  -6.107
H    5.374   4.826  -5.504
H    3.793   5.168  -6.316
C   -1.271   3.715  -3.147
O   -1.786   3.632  -4.283
         74
   102.500000000000013322
N   -0.068   1.091   1.031
H   -0.982   1.129   0.570
C    0.220   0.093   2.046
H    0.790  -0.687   1.524
C    1.099   0.567   3.175
H    2.062   0.869   2.790
H    0.713   1.520   3.507
C    1.200  -0.313   4.332
C    2.389  -1.026   4.550
H    3.313  -0.837   4.015
C    2.486  -1.787   5.717
H    3.492  -2.041   6.004
C    1.330  -2.058   6.494
O    1.377  -3.054   7.436
H    0.453  -3.161   7.688
C    0.158  -1.275   6.310
H   -0.669  -1.403   7.000
C    0.127  -0.346   5.269
H   -0.712   0.333   5.245
C   -1.185  -0.402   2.491
O   -2.067   0.447   2.740
N   -1.350  -1.740   2.480
H   -0.663  -2.356   2.086
C   -2.688  -2.228   2.550
H   -2.572  -3.305   2.754
H   -3.411  -1.701   3.207
C   -3.136  -1.966   1.087
O   -3.043  -2.772   0.199
N   -3.768  -0.897   0.719
H   -3.763  -0.151   1.411
C   -4.034  -0.582  -0.689
H   -4.896   0.106  -0.766
H   -4.298  -1.483  -1.240
C   -2.734  -0.002  -1.120
O   -2.535   1.154  -0.838
N   -1.935  -0.796  -1.794
H   -2.182  -1.709  -2.157
C   -0.690  -0.320  -2.367
H   -0.273   0.311  -1.588
C    0.321  -1.484  -2.689
H    0.935  -1.254  -3.564
H   -0.317  -2.323  -2.990
C    1.101  -2.086  -1.541
C    2.208  -1.398  -0.925
H    2.574  -0.407  -1.076
C    3.041  -2.050  -0.016
H    3.811  -1.472   0.482
C    2.669  -3.306   0.496
H    3.283  -3.753   1.254
C    1.393  -3.803   0.193
H    1.028  -4.541   0.880
C    0.590  -3.162  -0.778
H   -0.344  -3.539  -1.140
C   -1.106   0.367  -3.636
O   -1.812  -0.250  -4.444
N   -0.516   1.576  -3.878
H   -0.790   1.962  -4.777
C   -0.154   2.683  -2.943
H   -0.362   2.431  -1.893
C    1.289   3.252  -3.069
H    1.407   4.168  -2.475
H    1.901   2.493  -2.578
C    1.791   3.704  -4.444
H    1.195   4.549  -4.777
H    1.922   2.900  -5.162
S    3.458   4.391  -4.097
LP   3.749   3.816  -3.869
LP   3.268   5.047  -4.122
C    4.334   4.446  -5.669
H    4.306   3.436  -6.145
H    5.345   4.925  -5.517
H    3.758   5.136  -6.318
C   -1.268   3.712  -3.160
O   -1.792   3.623  -4.290
         74
   105.000000000000004440
N   -0.059   1.063   1.026
H   -0.973   1.197   0.579
C    0.213   0.105   2.046
H    0.751  -0.683   1.522
C    1.109   0.568   3.172
H    2.068   0.822   2.779
H    0.762   1.505   3.544
C    1.200  -0.320   4.328
C    2.394  -1.031   4.549
H    3.317  -0.753   4.055
C    2.488  -1.785   5.724
H    3.488  -2.055   6.041
C    1.340  -2.060   6.497
O    1.408  -3.038   7.415
H    0.518  -3.147   7.768
C    0.168  -1.287   6.306
H   -0.705  -1.381   6.963
C    0.120  -0.338   5.270
H   -0.748   0.316   5.271
C   -1.187  -0.388   2.498
O   -2.077   0.442   2.730
N   -1.372  -1.739   2.487
H   -0.664  -2.372   2.166
C   -2.685  -2.228   2.561
H   -2.567  -3.304   2.758
H   -3.399  -1.674   3.172
C   -3.150  -1.965   1.079
O   -3.049  -2.783   0.200
N   -3.770  -0.881   0.716
H   -3.841  -0.125   1.398
C   -4.040  -0.598  -0.685
H   -4.870   0.126  -0.806
H   -4.341  -1.488  -1.254
C   -2.745   0.002  -1.125
O   -2.551   1.150  -0.850
N   -1.939  -0.805  -1.793
H   -2.164  -1.729  -2.116
C   -0.720  -0.315  -2.349
H   -0.323   0.317  -1.579
C    0.336  -1.453  -2.682
H    0.971  -1.227  -3.542
H   -0.359  -2.233  -3.008
C    1.122  -2.076  -1.532
C    2.198  -1.389  -0.903
H    2.635  -0.412  -1.144
C    3.033  -2.062  -0.029
H    3.834  -1.491   0.431
C    2.676  -3.308   0.507
H    3.253  -3.778   1.289
C    1.389  -3.821   0.189
H    1.032  -4.606   0.834
C    0.592  -3.156  -0.789
H   -0.351  -3.578  -1.130
C   -1.108   0.372  -3.631
O   -1.795  -0.238  -4.443
N   -0.516   1.566  -3.897
H   -0.829   1.897  -4.816
C   -0.148   2.688  -2.946
H   -0.367   2.445  -1.918
C    1.291   3.271  -3.062
H    1.362   4.161  -2.416
H    1.891   2.492  -2.590
C    1.794   3.714  -4.431
H    1.216   4.556  -4.777
H    1.890   2.894  -5.127
S    3.466   4.378  -4.090
LP   3.730   3.793  -3.880
LP   3.276   5.033  -4.074
C    4.342   4.447  -5.662
H    4.299   3.494  -6.164
H    5.275   4.974  -5.542
H    3.738   5.083  -6.308
C   -1.262   3.705  -3.181
O   -1.798   3.617  -4.295
         74
   107.499999999999995559
N   -0.048   1.039   1.019
H   -0.960   1.240   0.621
C    0.199   0.109   2.043
H    0.706  -0.692   1.527
C    1.117   0.576   3.166
H    2.109   0.764   2.753
H    0.781   1.518   3.590
C    1.197  -0.329   4.329
C    2.396  -1.035   4.552
H    3.309  -0.673   4.086
C    2.491  -1.783   5.731
H    3.474  -2.087   6.084
C    1.352  -2.058   6.497
O    1.437  -3.022   7.396
H    0.603  -3.152   7.863
C    0.178  -1.301   6.302
H   -0.720  -1.361   6.914
C    0.117  -0.334   5.272
H   -0.768   0.302   5.271
C   -1.185  -0.378   2.503
O   -2.086   0.436   2.721
N   -1.392  -1.729   2.496
H   -0.653  -2.386   2.241
C   -2.686  -2.228   2.559
H   -2.593  -3.289   2.772
H   -3.371  -1.663   3.171
C   -3.166  -1.968   1.076
O   -3.049  -2.801   0.201
N   -3.775  -0.859   0.716
H   -3.915  -0.102   1.364
C   -4.051  -0.614  -0.678
H   -4.819   0.137  -0.832
H   -4.374  -1.484  -1.268
C   -2.763  -0.002  -1.133
O   -2.564   1.153  -0.862
N   -1.939  -0.814  -1.793
H   -2.182  -1.754  -2.056
C   -0.743  -0.312  -2.330
H   -0.343   0.347  -1.572
C    0.343  -1.421  -2.672
H    1.013  -1.186  -3.507
H   -0.375  -2.149  -3.044
C    1.145  -2.062  -1.517
C    2.189  -1.377  -0.885
H    2.645  -0.431  -1.245
C    3.028  -2.074  -0.038
H    3.860  -1.524   0.375
C    2.678  -3.310   0.515
H    3.230  -3.797   1.323
C    1.388  -3.836   0.184
H    1.015  -4.680   0.771
C    0.594  -3.154  -0.802
H   -0.350  -3.622  -1.102
C   -1.103   0.382  -3.625
O   -1.778  -0.226  -4.443
N   -0.516   1.556  -3.916
H   -0.852   1.854  -4.823
C   -0.150   2.688  -2.953
H   -0.354   2.438  -1.930
C    1.286   3.289  -3.051
H    1.308   4.139  -2.362
H    1.906   2.499  -2.624
C    1.803   3.725  -4.414
H    1.216   4.560  -4.804
H    1.841   2.876  -5.104
S    3.473   4.366  -4.082
LP   3.736   3.763  -3.904
LP   3.310   5.028  -4.046
C    4.341   4.452  -5.657
H    4.336   3.529  -6.180
H    5.239   4.997  -5.573
H    3.719   5.038  -6.296
C   -1.254   3.696  -3.207
O   -1.804   3.613  -4.298
         74
   110.000000000000008881
N   -0.034   1.023   1.007
H   -0.963   1.261   0.691
C    0.180   0.105   2.042
H    0.668  -0.720   1.534
C    1.125   0.591   3.159
H    2.149   0.703   2.725
H    0.786   1.541   3.622
C    1.190  -0.337   4.331
C    2.397  -1.037   4.558
H    3.292  -0.613   4.112
C    2.497  -1.782   5.737
H    3.450  -2.127   6.119
C    1.363  -2.051   6.491
O    1.463  -3.011   7.383
H    0.701  -3.163   7.959
C    0.186  -1.311   6.298
H   -0.714  -1.359   6.875
C    0.120  -0.336   5.276
H   -0.767   0.289   5.241
C   -1.182  -0.374   2.505
O   -2.094   0.430   2.711
N   -1.405  -1.710   2.507
H   -0.658  -2.376   2.316
C   -2.693  -2.227   2.542
H   -2.644  -3.279   2.798
H   -3.343  -1.660   3.209
C   -3.183  -1.973   1.076
O   -3.046  -2.823   0.203
N   -3.781  -0.835   0.719
H   -3.975  -0.070   1.337
C   -4.063  -0.629  -0.672
H   -4.777   0.153  -0.837
H   -4.392  -1.478  -1.271
C   -2.785  -0.014  -1.145
O   -2.573   1.160  -0.872
N   -1.940  -0.824  -1.792
H   -2.219  -1.782  -1.986
C   -0.754  -0.309  -2.313
H   -0.339   0.384  -1.571
C    0.342  -1.388  -2.660
H    1.048  -1.127  -3.461
H   -0.358  -2.096  -3.097
C    1.161  -2.047  -1.501
C    2.184  -1.361  -0.872
H    2.605  -0.481  -1.350
C    3.028  -2.086  -0.041
H    3.896  -1.567   0.319
C    2.671  -3.316   0.524
H    3.211  -3.796   1.341
C    1.389  -3.846   0.179
H    0.996  -4.741   0.684
C    0.598  -3.157  -0.814
H   -0.333  -3.647  -1.071
C   -1.093   0.395  -3.616
O   -1.762  -0.214  -4.442
N   -0.514   1.551  -3.931
H   -0.861   1.850  -4.821
C   -0.157   2.683  -2.966
H   -0.332   2.411  -1.922
C    1.275   3.302  -3.039
H    1.260   4.115  -2.316
H    1.938   2.514  -2.671
C    1.815   3.740  -4.398
H    1.208   4.550  -4.840
H    1.789   2.864  -5.078
S    3.482   4.350  -4.073
LP   3.754   3.758  -3.873
LP   3.291   5.008  -4.061
C    4.329   4.462  -5.654
H    4.413   3.515  -6.195
H    5.268   5.015  -5.600
H    3.681   5.024  -6.297
C   -1.242   3.686  -3.233
O   -1.811   3.610  -4.303
         74
   112.500000000000000000
N   -0.018   1.014   0.993
H   -0.985   1.266   0.777
C    0.162   0.093   2.043
H    0.638  -0.760   1.547
C    1.133   0.609   3.151
H    2.148   0.652   2.711
H    0.797   1.551   3.616
C    1.182  -0.344   4.334
C    2.395  -1.035   4.567
H    3.275  -0.580   4.138
C    2.506  -1.782   5.742
H    3.431  -2.168   6.135
C    1.374  -2.040   6.482
O    1.488  -3.005   7.376
H    0.808  -3.167   8.040
C    0.190  -1.316   6.289
H   -0.707  -1.385   6.867
C    0.129  -0.344   5.281
H   -0.752   0.278   5.190
C   -1.183  -0.374   2.504
O   -2.101   0.424   2.701
N   -1.410  -1.686   2.520
H   -0.675  -2.344   2.384
C   -2.710  -2.224   2.516
H   -2.703  -3.278   2.825
H   -3.313  -1.671   3.262
C   -3.201  -1.978   1.079
O   -3.040  -2.847   0.208
N   -3.789  -0.814   0.722
H   -4.014  -0.031   1.330
C   -4.075  -0.639  -0.667
H   -4.768   0.182  -0.824
H   -4.402  -1.485  -1.263
C   -2.807  -0.031  -1.160
O   -2.581   1.168  -0.883
N   -1.947  -0.836  -1.788
H   -2.246  -1.797  -1.919
C   -0.751  -0.301  -2.298
H   -0.327   0.403  -1.584
C    0.337  -1.357  -2.643
H    1.068  -1.046  -3.401
H   -0.308  -2.079  -3.157
C    1.164  -2.032  -1.487
C    2.182  -1.345  -0.863
H    2.551  -0.533  -1.446
C    3.034  -2.095  -0.040
H    3.946  -1.614   0.269
C    2.655  -3.325   0.531
H    3.200  -3.777   1.342
C    1.390  -3.852   0.170
H    0.989  -4.777   0.581
C    0.608  -3.166  -0.821
H   -0.318  -3.651  -1.060
C   -1.081   0.406  -3.607
O   -1.748  -0.203  -4.440
N   -0.509   1.550  -3.939
H   -0.864   1.887  -4.829
C   -0.168   2.669  -2.982
H   -0.305   2.381  -1.923
C    1.259   3.310  -3.027
H    1.230   4.103  -2.277
H    1.973   2.539  -2.716
C    1.826   3.750  -4.384
H    1.209   4.524  -4.865
H    1.752   2.873  -5.036
S    3.490   4.338  -4.063
LP   3.740   3.725  -3.906
LP   3.334   4.997  -4.001
C    4.316   4.468  -5.656
H    4.506   3.494  -6.184
H    5.303   5.018  -5.616
H    3.630   5.037  -6.307
C   -1.229   3.678  -3.258
O   -1.821   3.609  -4.310
         74
   114.999999999999991118
N   -0.005   1.009   0.976
H   -0.998   1.261   0.871
C    0.152   0.078   2.046
H    0.613  -0.795   1.572
C    1.136   0.623   3.144
H    2.120   0.628   2.704
H    0.819   1.560   3.574
C    1.176  -0.348   4.333
C    2.391  -1.029   4.577
H    3.270  -0.574   4.160
C    2.517  -1.781   5.745
H    3.433  -2.204   6.127
C    1.381  -2.027   6.472
O    1.513  -3.005   7.375
H    0.908  -3.153   8.105
C    0.192  -1.317   6.278
H   -0.700  -1.437   6.889
C    0.142  -0.355   5.286
H   -0.731   0.268   5.132
C   -1.192  -0.375   2.503
O   -2.106   0.419   2.691
N   -1.411  -1.662   2.535
H   -0.669  -2.317   2.437
C   -2.733  -2.219   2.491
H   -2.759  -3.270   2.830
H   -3.281  -1.696   3.291
C   -3.221  -1.982   1.078
O   -3.033  -2.871   0.215
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H   -4.020  -0.007   1.335
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H   -0.226  -2.084  -3.210
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C    3.043  -2.101  -0.035
H    4.004  -1.668   0.226
C    2.634  -3.335   0.537
H    3.204  -3.759   1.341
C    1.388  -3.854   0.158
H    0.999  -4.801   0.484
C    0.624  -3.177  -0.823
H   -0.319  -3.637  -1.076
C   -1.069   0.414  -3.598
O   -1.735  -0.192  -4.437
N   -0.500   1.557  -3.944
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H    1.220   4.497  -4.872
H    1.745   2.887  -4.992
S    3.500   4.325  -4.052
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LP   3.344   4.987  -3.976
C    4.304   4.476  -5.666
H    4.581   3.505  -6.129
H    5.284   4.994  -5.618
H    3.598   5.046  -6.307
C   -1.216   3.672  -3.278
O   -1.832   3.607  -4.321
         74
   117.500000000000004440
N    0.004   1.006   0.959
H   -0.983   1.254   0.959
C    0.153   0.062   2.049
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C    1.130   0.628   3.139
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C    1.173  -0.348   4.328
C    2.386  -1.019   4.589
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C    2.528  -1.779   5.745
H    3.454  -2.233   6.093
C    1.386  -2.016   6.466
O    1.539  -3.009   7.378
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C    0.156  -0.366   5.287
H   -0.710   0.250   5.085
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H   -3.265  -1.719   3.287
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H   -4.423  -1.539  -1.218
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H   -0.119  -2.090  -3.244
C    1.125  -2.005  -1.465
C    2.185  -1.323  -0.855
H    2.517  -0.554  -1.568
C    3.054  -2.104  -0.028
H    4.055  -1.731   0.185
C    2.612  -3.340   0.541
H    3.214  -3.757   1.342
C    1.384  -3.855   0.142
H    1.022  -4.832   0.411
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C    1.830   3.772  -4.357
H    1.228   4.499  -4.871
H    1.771   2.881  -4.965
S    3.512   4.311  -4.041
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LP   3.351   4.973  -3.985
C    4.293   4.486  -5.682
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H    5.230   4.973  -5.603
H    3.596   5.039  -6.302
C   -1.205   3.669  -3.295
O   -1.845   3.607  -4.335
         74
   119.999999999999996447
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H   -0.962   1.261   1.024
C    0.163   0.050   2.049
H    0.607  -0.849   1.635
C    1.117   0.623   3.136
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H    0.858   1.654   3.446
C    1.176  -0.345   4.320
C    2.383  -1.005   4.600
H    3.301  -0.625   4.169
C    2.540  -1.776   5.742
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C    1.392  -2.010   6.468
O    1.564  -3.015   7.384
H    1.044  -3.062   8.196
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C    0.168  -0.372   5.281
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H   -4.436  -1.554  -1.175
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O   -2.604   1.163  -0.927
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C    0.332  -1.302  -2.585
H    1.062  -0.712  -3.162
H   -0.009  -2.086  -3.261
C    1.093  -1.992  -1.450
C    2.190  -1.320  -0.859
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C    3.064  -2.105  -0.021
H    4.091  -1.800   0.146
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H    3.213  -3.773   1.332
C    1.379  -3.857   0.126
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C   -1.043   0.421  -3.591
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C    1.198   3.309  -3.010
H    1.235   4.104  -2.263
H    1.973   2.605  -2.717
C    1.824   3.775  -4.340
H    1.229   4.532  -4.867
H    1.824   2.865  -4.955
S    3.524   4.300  -4.029
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LP   3.391   4.956  -3.918
C    4.280   4.490  -5.693
H    4.618   3.530  -6.006
H    5.201   5.001  -5.574
H    3.601   5.028  -6.321
C   -1.196   3.669  -3.310
O   -1.859   3.606  -4.350
         74
   122.500000000000008881
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H   -0.952   1.293   1.058
C    0.178   0.042   2.045
H    0.637  -0.874   1.658
C    1.100   0.615   3.132
H    2.102   0.705   2.650
H    0.865   1.681   3.376
C    1.183  -0.339   4.312
C    2.386  -0.988   4.609
H    3.312  -0.672   4.151
C    2.549  -1.771   5.737
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H   -4.937   0.104  -0.698
H   -4.448  -1.553  -1.129
C   -2.862  -0.027  -1.203
O   -2.613   1.150  -0.947
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H   -0.220   0.372  -1.481
C    0.339  -1.296  -2.570
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C    1.061  -1.975  -1.427
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H    4.116  -1.863   0.111
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C   -1.027   0.427  -3.593
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H    1.931   2.591  -2.664
C    1.815   3.777  -4.324
H    1.237   4.567  -4.846
H    1.889   2.865  -4.951
S    3.539   4.287  -4.019
LP   3.772   3.662  -3.892
LP   3.400   4.950  -3.919
C    4.265   4.497  -5.698
H    4.592   3.490  -5.998
H    5.199   5.073  -5.543
H    3.596   5.020  -6.377
C   -1.192   3.669  -3.326
O   -1.872   3.606  -4.365
         74
   125.000000000000000000
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H   -0.940   1.344   1.057
C    0.194   0.037   2.035
H    0.679  -0.883   1.673
C    1.085   0.609   3.126
H    2.063   0.727   2.657
H    0.854   1.657   3.320
C    1.193  -0.330   4.305
C    2.395  -0.968   4.614
H    3.314  -0.723   4.112
C    2.555  -1.764   5.729
H    3.514  -2.248   5.872
C    1.412  -2.023   6.494
O    1.609  -3.028   7.400
H    1.129  -2.911   8.224
C    0.192  -1.346   6.274
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C    0.178  -0.373   5.255
H   -0.728   0.179   5.074
C   -1.239  -0.349   2.486
O   -2.135   0.437   2.645
N   -1.439  -1.645   2.592
H   -0.624  -2.214   2.503
C   -2.801  -2.176   2.461
H   -2.820  -3.275   2.610
H   -3.468  -1.668   3.199
C   -3.292  -1.990   1.029
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H   -3.786  -0.042   1.417
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H   -5.022   0.069  -0.685
H   -4.461  -1.548  -1.097
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C    0.351  -1.292  -2.556
H    1.061  -0.572  -2.972
H    0.141  -2.055  -3.310
C    1.037  -1.954  -1.397
C    2.208  -1.338  -0.874
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H    1.943   2.895  -4.944
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LP   3.414   4.935  -3.901
C    4.253   4.500  -5.695
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H    5.171   5.139  -5.526
H    3.589   5.004  -6.441
C   -1.194   3.670  -3.344
O   -1.883   3.606  -4.379
         74
   127.499999999999991118
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H    0.812   1.619   3.300
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C    2.557  -1.756   5.720
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C    1.430  -2.038   6.512
O    1.627  -3.033   7.410
H    1.161  -2.838   8.230
C    0.203  -1.361   6.279
H   -0.666  -1.598   6.907
C    0.174  -0.372   5.242
H   -0.759   0.165   5.095
C   -1.236  -0.346   2.478
O   -2.147   0.456   2.632
N   -1.457  -1.654   2.604
H   -0.633  -2.242   2.487
C   -2.812  -2.162   2.466
H   -2.800  -3.263   2.566
H   -3.549  -1.667   3.130
C   -3.293  -1.995   1.025
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C    0.365  -1.287  -2.544
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H    0.176  -2.018  -3.345
C    1.020  -1.928  -1.360
C    2.224  -1.358  -0.880
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C   -0.989   0.448  -3.600
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C    1.166   3.279  -3.023
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H    1.811   2.535  -2.547
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H    1.273   4.588  -4.767
H    1.970   2.935  -4.952
S    3.567   4.268  -3.998
LP   3.779   3.618  -3.922
LP   3.449   4.921  -3.860
C    4.243   4.503  -5.691
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H    5.101   5.164  -5.534
H    3.595   4.967  -6.467
C   -1.200   3.672  -3.363
O   -1.892   3.606  -4.391
         74
   130.000000000000004440
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H    0.734   1.606   3.325
C    1.215  -0.304   4.299
C    2.431  -0.922   4.610
H    3.300  -0.809   3.969
C    2.557  -1.749   5.711
H    3.513  -2.261   5.761
C    1.452  -2.052   6.528
O    1.642  -3.037   7.423
H    1.192  -2.784   8.235
C    0.217  -1.375   6.283
H   -0.690  -1.573   6.871
C    0.165  -0.376   5.235
H   -0.777   0.152   5.114
C   -1.230  -0.348   2.470
O   -2.159   0.477   2.618
N   -1.475  -1.659   2.613
H   -0.681  -2.284   2.466
C   -2.826  -2.151   2.470
H   -2.780  -3.226   2.559
H   -3.604  -1.688   3.062
C   -3.285  -2.002   1.031
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H   -3.637  -0.107   1.370
C   -4.197  -0.574  -0.632
H   -5.106   0.021  -0.686
H   -4.463  -1.532  -1.098
C   -2.896  -0.027  -1.214
O   -2.637   1.129  -1.012
N   -1.954  -0.844  -1.743
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H    1.148  -0.573  -2.847
H    0.191  -1.965  -3.369
C    1.010  -1.899  -1.322
C    2.246  -1.379  -0.883
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C    3.051  -2.107  -0.008
H    4.119  -1.947   0.026
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H    3.155  -3.941   1.196
C    1.379  -3.886   0.079
H    1.205  -4.935   0.313
C    0.639  -3.194  -0.938
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H    1.761   2.514  -2.507
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H    1.966   2.954  -4.988
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LP   3.439   4.916  -3.877
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H    3.600   4.925  -6.447
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O   -1.898   3.605  -4.402
         74
   132.499999999999995559
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H    1.928   2.960  -5.036
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LP   3.469   4.903  -3.836
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H    5.051   5.175  -5.600
H    3.564   4.913  -6.413
C   -1.221   3.679  -3.398
O   -1.903   3.603  -4.414
         74
   135.000000000000008881
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C    1.042   0.596   3.081
H    2.068   0.728   2.670
H    0.560   1.547   3.426
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C    1.495  -2.067   6.538
O    1.665  -3.045   7.458
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         74
   137.500000000000000000
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         74
   139.999999999999991118
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H    3.315   4.997  -6.195
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         74
   142.500000000000026645
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H    0.130  -1.938  -3.171
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LP   3.474   4.867  -3.812
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         74
   145.000000000000000000
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         74
   147.500000000000008881
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         74
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         74
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         74
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         74
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         74
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         74
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H    3.255   5.252  -6.086
C   -1.335   3.755  -3.529
O   -1.902   3.523  -4.606
         74
   164.999999999999991118
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H    1.924   2.719  -4.677
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LP   3.543   4.740  -3.648
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H    4.978   4.844  -5.685
H    3.269   5.287  -6.015
C   -1.321   3.749  -3.543
O   -1.896   3.518  -4.621
         74
   167.500000000000000000
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         74
   170.000000000000000000
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         74
   172.500000000000035527
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         74
   175.000000000000017763
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         74
   177.499999999999991118
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H    1.401  -0.598  -3.076
H    0.009  -1.760  -3.141
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C    2.292  -1.442  -0.626
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C    1.339  -3.947  -0.128
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H   -0.454  -3.339  -1.230
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N   -0.526   1.704  -3.837
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H    1.055   4.277  -2.242
H    1.490   2.711  -1.890
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H    1.351   4.243  -4.465
H    1.771   2.573  -4.638
S    3.648   4.001  -3.844
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LP   3.511   4.610  -3.571
C    3.849   4.575  -5.563
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H    4.932   4.543  -5.795
H    3.429   5.612  -5.569
C   -1.154   3.846  -3.690
O   -1.727   3.527  -4.710
         74
   197.500000000000000000
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H   -0.690   1.150   0.483
C    0.128  -0.012   2.078
H    0.703  -0.903   1.844
C    0.810   0.619   3.243
H    1.628   1.207   2.911
H    0.178   1.388   3.645
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C    2.425  -0.778   4.463
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H    0.045  -1.760  -3.146
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C    2.283  -1.436  -0.623
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H    1.798   2.541  -4.613
S    3.643   3.990  -3.843
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H    3.456   5.628  -5.626
C   -1.156   3.874  -3.701
O   -1.713   3.545  -4.716
         74
   200.000000000000000000
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H    0.184   1.427   3.607
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H    0.106  -1.786  -3.164
C    1.164  -1.884  -1.340
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         74
   202.499999999999991118
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H    0.178  -1.835  -3.195
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         74
   205.000000000000026645
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         74
   207.500000000000017763
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H    3.478   5.613  -5.747
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         74
   210.000000000000008881
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N   -1.638  -1.570   2.670
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H   -3.274  -2.846   2.984
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H    3.458   5.617  -5.666
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O   -1.668   3.664  -4.799
         74
   212.500000000000000000
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H    3.440   5.599  -5.553
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O   -1.657   3.696  -4.812
         74
   214.999999999999991118
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         74
   217.499999999999982236
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         74
   220.000000000000017763
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         74
   222.500000000000008881
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         74
   225.000000000000000000
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         74
   227.499999999999991118
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C    0.114  -0.833   5.365
H   -0.954  -0.608   5.367
C   -1.372  -0.313   2.124
O   -2.185   0.546   1.878
N   -1.745  -1.441   2.670
H   -1.029  -2.085   3.008
C   -3.115  -1.869   2.528
H   -3.183  -2.844   3.030
H   -3.827  -1.154   2.947
C   -3.309  -1.929   0.946
O   -2.919  -2.952   0.344
N   -3.963  -0.913   0.364
H   -3.970  -0.013   0.823
C   -3.960  -0.855  -1.063
H   -4.829  -0.276  -1.370
H   -4.003  -1.791  -1.595
C   -2.808   0.025  -1.377
O   -3.034   1.175  -1.592
N   -1.598  -0.560  -1.386
H   -1.460  -1.451  -0.960
C   -0.474  -0.039  -2.104
H   -0.107   0.731  -1.465
C    0.570  -1.131  -2.401
H    1.314  -0.569  -2.952
H    0.042  -1.817  -3.088
C    1.046  -1.863  -1.175
C    2.165  -1.371  -0.476
H    2.777  -0.522  -0.758
C    2.835  -2.234   0.373
H    3.703  -1.920   0.950
C    2.468  -3.570   0.464
H    2.861  -4.204   1.229
C    1.191  -3.982   0.007
H    0.965  -5.023  -0.098
C    0.540  -3.162  -0.961
H   -0.201  -3.588  -1.619
C   -0.992   0.578  -3.392
O   -1.720  -0.179  -4.036
N   -0.531   1.738  -3.841
H   -0.818   2.083  -4.754
C   -0.441   2.879  -2.974
H   -0.951   2.777  -2.011
C    1.010   3.264  -2.638
H    1.110   4.263  -2.174
H    1.443   2.507  -1.967
C    1.781   3.340  -3.945
H    1.314   3.991  -4.700
H    1.896   2.330  -4.343
S    3.501   3.840  -3.781
LP   3.744   3.216  -3.906
LP   3.376   4.416  -3.437
C    3.801   4.537  -5.431
H    3.270   4.026  -6.214
H    4.835   4.818  -5.607
H    3.276   5.489  -5.472
C   -1.221   3.985  -3.715
O   -1.573   3.885  -4.905
         74
   229.999999999999982236
N    0.282   0.897   0.897
H   -0.535   1.330   0.501
C    0.138  -0.087   1.983
H    0.751  -0.943   1.705
C    0.640   0.545   3.276
H    1.492   1.189   3.011
H   -0.233   1.130   3.618
C    1.044  -0.372   4.426
C    2.339  -0.924   4.319
H    2.909  -0.511   3.507
C    2.888  -1.545   5.462
H    3.946  -1.772   5.504
C    2.016  -2.003   6.476
O    2.517  -2.725   7.496
H    1.729  -2.898   8.012
C    0.624  -1.678   6.400
H   -0.097  -2.015   7.151
C    0.117  -0.843   5.384
H   -0.954  -0.625   5.351
C   -1.367  -0.317   2.125
O   -2.170   0.569   1.858
N   -1.760  -1.430   2.663
H   -1.054  -2.055   3.050
C   -3.133  -1.866   2.510
H   -3.167  -2.851   3.046
H   -3.902  -1.187   2.956
C   -3.304  -1.934   0.929
O   -2.915  -2.945   0.338
N   -3.972  -0.919   0.367
H   -3.928  -0.003   0.782
C   -3.956  -0.879  -1.066
H   -4.854  -0.347  -1.400
H   -3.952  -1.857  -1.567
C   -2.799   0.025  -1.358
O   -3.009   1.178  -1.619
N   -1.600  -0.565  -1.384
H   -1.469  -1.471  -0.952
C   -0.467  -0.020  -2.088
H   -0.123   0.779  -1.469
C    0.565  -1.124  -2.401
H    1.330  -0.601  -3.006
H    0.072  -1.902  -3.038
C    1.023  -1.861  -1.168
C    2.160  -1.381  -0.462
H    2.744  -0.496  -0.748
C    2.831  -2.246   0.375
H    3.734  -1.966   0.948
C    2.456  -3.576   0.482
H    2.911  -4.147   1.306
C    1.196  -3.967  -0.010
H    0.952  -5.021  -0.029
C    0.539  -3.170  -0.964
H   -0.217  -3.585  -1.643
C   -0.986   0.580  -3.382
O   -1.717  -0.180  -4.022
N   -0.556   1.754  -3.855
H   -0.820   2.104  -4.758
C   -0.428   2.886  -2.968
H   -0.953   2.772  -2.026
C    1.000   3.259  -2.632
H    1.063   4.295  -2.242
H    1.450   2.477  -1.992
C    1.771   3.322  -3.953
H    1.340   4.021  -4.660
H    1.854   2.328  -4.382
S    3.491   3.829  -3.775
LP   3.787   3.234  -3.915
LP   3.378   4.432  -3.480
C    3.794   4.534  -5.405
H    3.311   4.003  -6.251
H    4.832   4.825  -5.600
H    3.238   5.489  -5.506
C   -1.225   3.977  -3.703
O   -1.558   3.911  -4.923
         74
   232.500000000000017763
N    0.282   0.906   0.893
H   -0.577   1.321   0.547
C    0.144  -0.092   1.975
H    0.779  -0.920   1.702
C    0.627   0.550   3.286
H    1.471   1.172   3.049
H   -0.256   1.051   3.641
C    1.039  -0.381   4.438
C    2.335  -0.921   4.301
H    2.899  -0.498   3.477
C    2.884  -1.546   5.457
H    3.955  -1.714   5.486
C    2.030  -1.998   6.488
O    2.526  -2.721   7.493
H    1.757  -2.851   8.050
C    0.649  -1.683   6.398
H   -0.052  -2.091   7.113
C    0.124  -0.855   5.403
H   -0.931  -0.636   5.331
C   -1.359  -0.317   2.126
O   -2.153   0.594   1.836
N   -1.776  -1.422   2.658
H   -1.102  -2.027   3.071
C   -3.150  -1.865   2.485
H   -3.165  -2.826   3.020
H   -3.936  -1.236   2.952
C   -3.302  -1.941   0.927
O   -2.909  -2.936   0.332
N   -3.976  -0.929   0.367
H   -3.894   0.008   0.769
C   -3.957  -0.901  -1.067
H   -4.878  -0.429  -1.424
H   -3.886  -1.912  -1.534
C   -2.787   0.016  -1.342
O   -2.984   1.186  -1.646
N   -1.603  -0.570  -1.380
H   -1.497  -1.495  -0.964
C   -0.462   0.002  -2.072
H   -0.101   0.831  -1.468
C    0.555  -1.115  -2.403
H    1.356  -0.666  -3.031
H    0.123  -1.942  -2.982
C    1.003  -1.857  -1.164
C    2.155  -1.389  -0.451
H    2.670  -0.478  -0.741
C    2.834  -2.259   0.383
H    3.734  -1.999   0.916
C    2.440  -3.584   0.505
H    2.953  -4.089   1.347
C    1.201  -3.955  -0.031
H    0.936  -5.015   0.057
C    0.539  -3.176  -0.965
H   -0.221  -3.582  -1.639
C   -0.980   0.575  -3.377
O   -1.714  -0.178  -4.009
N   -0.580   1.771  -3.863
H   -0.840   2.107  -4.787
C   -0.421   2.895  -2.963
H   -0.963   2.751  -2.037
C    0.994   3.256  -2.631
H    1.011   4.290  -2.290
H    1.455   2.479  -2.017
C    1.765   3.303  -3.960
H    1.344   4.050  -4.621
H    1.798   2.322  -4.433
S    3.485   3.822  -3.772
LP   3.746   3.201  -3.879
LP   3.330   4.402  -3.449
C    3.781   4.536  -5.386
H    3.391   3.955  -6.257
H    4.828   4.804  -5.584
H    3.216   5.470  -5.510
C   -1.230   3.972  -3.696
O   -1.539   3.934  -4.935
         74
   235.000000000000008881
N    0.281   0.913   0.893
H   -0.627   1.302   0.608
C    0.151  -0.090   1.966
H    0.790  -0.927   1.707
C    0.611   0.548   3.299
H    1.453   1.193   3.092
H   -0.267   1.029   3.682
C    1.034  -0.390   4.441
C    2.329  -0.917   4.291
H    2.920  -0.513   3.465
C    2.882  -1.547   5.448
H    3.958  -1.663   5.474
C    2.044  -1.986   6.490
O    2.533  -2.718   7.493
H    1.807  -2.828   8.120
C    0.673  -1.692   6.401
H   -0.004  -2.167   7.078
C    0.137  -0.865   5.420
H   -0.906  -0.644   5.320
C   -1.352  -0.311   2.125
O   -2.135   0.617   1.812
N   -1.795  -1.417   2.656
H   -1.142  -2.030   3.089
C   -3.165  -1.864   2.456
H   -3.175  -2.801   2.962
H   -3.937  -1.283   2.935
C   -3.307  -1.947   0.936
O   -2.902  -2.927   0.325
N   -3.976  -0.941   0.364
H   -3.872  -0.006   0.774
C   -3.961  -0.921  -1.067
H   -4.897  -0.513  -1.444
H   -3.816  -1.927  -1.496
C   -2.778   0.004  -1.332
O   -2.959   1.196  -1.672
N   -1.603  -0.577  -1.374
H   -1.535  -1.509  -1.002
C   -0.459   0.026  -2.055
H   -0.054   0.861  -1.473
C    0.544  -1.106  -2.406
H    1.374  -0.751  -3.021
H    0.159  -1.941  -2.951
C    0.989  -1.851  -1.160
C    2.145  -1.397  -0.447
H    2.578  -0.459  -0.730
C    2.841  -2.274   0.393
H    3.738  -2.006   0.875
C    2.425  -3.589   0.534
H    2.961  -4.050   1.344
C    1.207  -3.954  -0.050
H    0.915  -4.982   0.144
C    0.540  -3.177  -0.968
H   -0.216  -3.586  -1.608
C   -0.973   0.567  -3.378
O   -1.711  -0.176  -3.997
N   -0.604   1.785  -3.866
H   -0.875   2.091  -4.814
C   -0.424   2.903  -2.962
H   -0.976   2.724  -2.038
C    0.992   3.254  -2.639
H    0.970   4.273  -2.296
H    1.463   2.505  -2.022
C    1.763   3.284  -3.967
H    1.327   4.077  -4.589
H    1.736   2.319  -4.493
S    3.475   3.813  -3.764
LP   3.774   3.220  -3.931
LP   3.369   4.398  -3.430
C    3.767   4.540  -5.378
H    3.497   3.895  -6.214
H    4.818   4.767  -5.549
H    3.200   5.445  -5.487
C   -1.237   3.970  -3.694
O   -1.516   3.956  -4.939
         74
   237.500000000000044408
N    0.277   0.917   0.897
H   -0.657   1.271   0.681
C    0.158  -0.081   1.958
H    0.780  -0.955   1.720
C    0.594   0.540   3.313
H    1.432   1.245   3.140
H   -0.275   1.065   3.737
C    1.029  -0.397   4.434
C    2.322  -0.913   4.289
H    2.954  -0.552   3.478
C    2.881  -1.546   5.432
H    3.958  -1.623   5.470
C    2.058  -1.970   6.484
O    2.538  -2.717   7.497
H    1.886  -2.822   8.202
C    0.694  -1.703   6.408
H    0.030  -2.243   7.057
C    0.155  -0.874   5.431
H   -0.897  -0.655   5.325
C   -1.349  -0.296   2.119
O   -2.114   0.637   1.786
N   -1.817  -1.414   2.654
H   -1.169  -2.062   3.101
C   -3.174  -1.862   2.426
H   -3.198  -2.823   2.895
H   -3.938  -1.297   2.918
C   -3.318  -1.951   0.949
O   -2.893  -2.919   0.320
N   -3.972  -0.953   0.359
H   -3.866  -0.047   0.789
C   -3.964  -0.940  -1.066
H   -4.916  -0.590  -1.463
H   -3.752  -1.916  -1.471
C   -2.775  -0.003  -1.331
O   -2.935   1.202  -1.694
N   -1.600  -0.582  -1.366
H   -1.569  -1.535  -1.056
C   -0.456   0.050  -2.041
H    0.005   0.858  -1.485
C    0.535  -1.095  -2.402
H    1.396  -0.822  -2.991
H    0.147  -1.923  -2.970
C    0.982  -1.844  -1.155
C    2.131  -1.406  -0.448
H    2.493  -0.426  -0.712
C    2.847  -2.288   0.402
H    3.774  -1.984   0.848
C    2.410  -3.588   0.563
H    2.945  -4.067   1.335
C    1.214  -3.965  -0.063
H    0.878  -4.937   0.219
C    0.541  -3.171  -0.973
H   -0.227  -3.606  -1.573
C   -0.966   0.563  -3.383
O   -1.708  -0.175  -3.988
N   -0.627   1.796  -3.865
H   -0.915   2.062  -4.808
C   -0.439   2.907  -2.965
H   -0.983   2.703  -2.037
C    0.993   3.252  -2.657
H    0.950   4.265  -2.257
H    1.477   2.539  -1.994
C    1.761   3.269  -3.973
H    1.302   4.083  -4.556
H    1.678   2.330  -4.549
S    3.470   3.803  -3.759
LP   3.744   3.192  -3.860
LP   3.303   4.383  -3.438
C    3.754   4.548  -5.374
H    3.592   3.819  -6.154
H    4.813   4.737  -5.492
H    3.170   5.442  -5.460
C   -1.245   3.973  -3.699
O   -1.490   3.975  -4.935
         74
   239.999999999999991118
N    0.272   0.920   0.904
H   -0.672   1.243   0.749
C    0.166  -0.070   1.954
H    0.742  -0.981   1.740
C    0.575   0.533   3.328
H    1.384   1.286   3.190
H   -0.261   1.120   3.780
C    1.024  -0.404   4.419
C    2.316  -0.910   4.294
H    2.985  -0.602   3.506
C    2.882  -1.544   5.412
H    3.958  -1.599   5.474
C    2.071  -1.952   6.475
O    2.545  -2.717   7.503
H    1.982  -2.824   8.278
C    0.710  -1.718   6.419
H    0.050  -2.313   7.047
C    0.176  -0.881   5.438
H   -0.890  -0.673   5.352
C   -1.349  -0.277   2.111
O   -2.092   0.653   1.761
N   -1.837  -1.412   2.653
H   -1.207  -2.088   3.088
C   -3.177  -1.861   2.401
H   -3.228  -2.881   2.825
H   -3.951  -1.273   2.904
C   -3.333  -1.954   0.959
O   -2.882  -2.912   0.318
N   -3.965  -0.967   0.354
H   -3.876  -0.080   0.817
C   -3.964  -0.952  -1.064
H   -4.930  -0.652  -1.482
H   -3.702  -1.911  -1.480
C   -2.778  -0.003  -1.340
O   -2.913   1.202  -1.711
N   -1.593  -0.585  -1.356
H   -1.587  -1.576  -1.121
C   -0.454   0.068  -2.031
H    0.067   0.839  -1.490
C    0.528  -1.086  -2.392
H    1.429  -0.852  -2.958
H    0.084  -1.884  -3.022
C    0.978  -1.839  -1.152
C    2.116  -1.416  -0.451
H    2.427  -0.391  -0.679
C    2.852  -2.297   0.407
H    3.817  -1.953   0.829
C    2.394  -3.581   0.590
H    2.921  -4.149   1.344
C    1.224  -3.984  -0.070
H    0.815  -4.910   0.278
C    0.544  -3.161  -0.977
H   -0.258  -3.629  -1.545
C   -0.956   0.565  -3.389
O   -1.707  -0.177  -3.983
N   -0.649   1.798  -3.860
H   -0.961   2.038  -4.784
C   -0.463   2.908  -2.971
H   -0.981   2.696  -2.039
C    0.996   3.252  -2.679
H    0.953   4.252  -2.201
H    1.486   2.576  -1.955
C    1.759   3.256  -3.982
H    1.281   4.069  -4.524
H    1.638   2.357  -4.590
S    3.460   3.793  -3.750
LP   3.767   3.207  -3.924
LP   3.332   4.371  -3.422
C    3.747   4.547  -5.371
H    3.651   3.741  -6.106
H    4.816   4.735  -5.419
H    3.126   5.460  -5.451
C   -1.255   3.981  -3.706
O   -1.461   3.991  -4.926
         74
   242.499999999999982236
N    0.267   0.922   0.915
H   -0.685   1.238   0.792
C    0.171  -0.059   1.958
H    0.687  -0.996   1.760
C    0.555   0.533   3.344
H    1.317   1.297   3.234
H   -0.225   1.158   3.795
C    1.020  -0.412   4.399
C    2.313  -0.908   4.303
H    3.008  -0.646   3.527
C    2.886  -1.541   5.390
H    3.962  -1.588   5.479
C    2.086  -1.936   6.468
O    2.553  -2.716   7.509
H    2.077  -2.823   8.342
C    0.721  -1.734   6.431
H    0.069  -2.362   7.036
C    0.196  -0.884   5.440
H   -0.871  -0.700   5.396
C   -1.352  -0.259   2.101
O   -2.070   0.667   1.734
N   -1.852  -1.409   2.652
H   -1.253  -2.101   3.050
C   -3.179  -1.864   2.387
H   -3.262  -2.919   2.744
H   -3.953  -1.237   2.881
C   -3.350  -1.960   0.958
O   -2.869  -2.905   0.319
N   -3.957  -0.983   0.351
H   -3.904  -0.094   0.848
C   -3.961  -0.957  -1.064
H   -4.934  -0.697  -1.494
H   -3.670  -1.915  -1.520
C   -2.785   0.004  -1.357
O   -2.893   1.196  -1.722
N   -1.585  -0.585  -1.345
H   -1.587  -1.601  -1.196
C   -0.451   0.078  -2.028
H    0.124   0.820  -1.481
C    0.521  -1.081  -2.378
H    1.455  -0.835  -2.919
H    0.003  -1.803  -3.065
C    0.976  -1.836  -1.151
C    2.104  -1.423  -0.453
H    2.380  -0.380  -0.625
C    2.859  -2.296   0.407
H    3.821  -1.940   0.802
C    2.379  -3.574   0.619
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         74
   245.000000000000017763
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         74
   247.500000000000008881
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         74
   250.000000000000000000
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