434
*
 N   -6.810   6.829   0.690
 C   -7.718   5.741   0.229
 C   -6.901   4.649  -0.467
 O   -6.227   4.900  -1.446
 C   -8.749   6.311  -0.745
 O   -8.330   7.601  -1.172
 H   -6.188   7.118  -0.091
 H   -7.377   7.644   1.003
 H   -6.230   6.485   1.482
 H   -8.227   5.308   1.084
 H   -8.835   5.665  -1.603
 H   -9.710   6.379  -0.251
 H   -8.767   7.795  -2.004
 N   -6.995   3.465   0.077
 C   -6.293   2.286  -0.429
 C   -6.956   1.700  -1.660
 O   -8.154   1.772  -1.851
 C   -6.240   1.358   0.777
 C   -7.311   1.857   1.775
 C   -7.819   3.192   1.262
 H   -5.305   2.551  -0.688
 H   -6.458   0.343   0.472
 H   -5.272   1.410   1.228
 H   -8.117   1.165   1.849
 H   -6.853   2.018   2.744
 H   -8.864   3.120   0.992
 H   -7.671   3.953   2.003
 N   -6.139   1.180  -2.533
 C   -6.644   0.644  -3.815
 C   -7.531  -0.587  -3.606
 O   -8.019  -0.847  -2.524
 C   -5.458   0.338  -4.745
 S   -4.193  -0.678  -3.924
 H   -5.175   1.188  -2.357
 H   -7.245   1.411  -4.282
 H   -5.816  -0.190  -5.613
 H   -5.023   1.261  -5.064
 N   -7.779  -1.309  -4.661
 C   -8.688  -2.506  -4.580
 C   -7.928  -3.746  -4.119
 O   -8.459  -4.839  -4.104
 C   -9.299  -2.798  -5.954
 C   -9.262  -1.544  -6.827
 C   -9.974  -0.397  -6.106
 O   -9.342   0.419  -5.465
 N  -11.274  -0.301  -6.182
 H   -7.391  -1.041  -5.518
 H   -9.483  -2.298  -3.879
 H   -8.736  -3.585  -6.435
 H  -10.323  -3.115  -5.830
 H   -8.236  -1.272  -7.024
 H   -9.761  -1.746  -7.758
 H  -11.740   0.430  -5.724
 H  -11.785  -0.961  -6.696
 N   -6.704  -3.593  -3.740
 C   -5.921  -4.772  -3.274
 C   -5.322  -4.463  -1.907
 O   -4.569  -5.236  -1.353
 C   -4.794  -5.058  -4.263
 C   -5.305  -5.977  -5.376
 C   -4.407  -7.213  -5.475
 C   -3.150  -6.868  -6.276
 N   -3.493  -6.780  -7.724
 H   -6.300  -2.702  -3.753
 H   -6.568  -5.630  -3.200
 H   -4.451  -4.127  -4.690
 H   -3.980  -5.539  -3.745
 H   -6.318  -6.283  -5.153
 H   -5.289  -5.447  -6.316
 H   -4.126  -7.534  -4.482
 H   -4.942  -8.008  -5.973
 H   -2.758  -5.920  -5.940
 H   -2.407  -7.637  -6.128
 H   -4.126  -7.566  -7.978
 H   -3.969  -5.875  -7.913
 H   -2.623  -6.837  -8.290
 N   -5.641  -3.322  -1.379
 C   -5.099  -2.908  -0.070
 C   -6.171  -3.053   1.005
 O   -5.882  -3.089   2.185
 C   -4.724  -1.444  -0.201
 S   -2.942  -1.294  -0.325
 H   -6.230  -2.714  -1.859
 H   -4.220  -3.494   0.183
 H   -5.174  -1.044  -1.099
 H   -5.083  -0.887   0.642
 N   -7.410  -3.107   0.609
 C   -8.501  -3.217   1.618
 C   -8.200  -4.337   2.590
 O   -7.483  -4.157   3.554
 C   -9.839  -3.468   0.921
 O  -10.173  -2.341   0.125
 C  -10.930  -3.696   1.969
 H   -7.623  -3.056  -0.352
 H   -8.544  -2.313   2.169
 H   -9.760  -4.343   0.294
 H  -10.141  -1.562   0.685
 H  -10.637  -3.235   2.901
 H  -11.855  -3.259   1.625
 H  -11.068  -4.757   2.120
 N   -8.710  -5.499   2.344
 C   -8.410  -6.619   3.257
 C   -7.144  -7.283   2.745
 O   -6.922  -8.461   2.945
 C   -9.563  -7.622   3.245
 O   -9.488  -8.412   2.064
 H   -9.270  -5.639   1.553
 H   -8.252  -6.247   4.259
 H   -9.493  -8.266   4.106
 H  -10.504  -7.088   3.274
 H  -10.379  -8.526   1.726
 N   -6.309  -6.540   2.058
 C   -5.071  -7.172   1.522
 C   -3.914  -6.175   1.410
 O   -3.277  -6.085   0.379
 H   -6.509  -5.578   1.886
 H   -4.777  -7.977   2.180
 H   -5.282  -7.578   0.544
 N   -3.596  -5.450   2.449
 C   -2.440  -4.514   2.337
 C   -1.163  -5.351   2.317
 O   -0.789  -5.953   3.303
 C   -2.396  -3.552   3.521
 S   -1.090  -2.328   3.229
 H   -4.088  -5.540   3.292
 H   -2.519  -3.955   1.415
 H   -3.348  -3.051   3.616
 H   -2.182  -4.100   4.427
 N   -0.513  -5.428   1.194
 C    0.718  -6.271   1.112
 C    1.988  -5.454   1.389
 O    3.066  -6.006   1.489
 C    0.810  -6.887  -0.285
 C    1.155  -5.798  -1.302
 C    2.416  -6.196  -2.072
 C    2.184  -7.534  -2.774
 N    3.472  -8.279  -2.862
 H   -0.851  -4.958   0.398
 H    0.647  -7.066   1.839
 H    1.579  -7.646  -0.294
 H   -0.138  -7.332  -0.545
 H    0.333  -5.679  -1.993
 H    1.330  -4.866  -0.787
 H    2.644  -5.437  -2.806
 H    3.242  -6.292  -1.384
 H    1.469  -8.117  -2.212
 H    1.802  -7.357  -3.769
 H    4.064  -8.046  -2.039
 H    3.283  -9.301  -2.871
 H    3.969  -8.009  -3.735
 N    1.898  -4.156   1.494
 C    3.105  -3.360   1.734
 C    3.463  -3.342   3.220
 O    2.729  -2.828   4.041
 C    2.837  -1.938   1.274
 S    1.767  -1.931  -0.179
 H    1.053  -3.696   1.396
 H    3.925  -3.768   1.168
 H    2.368  -1.382   2.064
 H    3.756  -1.492   1.028
 N    4.604  -3.866   3.564
 C    5.034  -3.843   4.989
 C    5.756  -2.519   5.235
 O    5.869  -2.048   6.350
 C    5.986  -5.010   5.262
 H    5.193  -4.248   2.880
 H    4.169  -3.915   5.633
 H    6.789  -4.996   4.541
 H    6.394  -4.916   6.258
 H    5.446  -5.942   5.181
 N    6.234  -1.913   4.180
 C    6.941  -0.610   4.297
 C    6.815   0.120   2.958
 O    6.285  -0.414   2.004
 C    8.421  -0.847   4.615
 O    8.573  -2.115   5.237
 C    8.926   0.249   5.556
 H    6.116  -2.319   3.297
 H    6.489  -0.017   5.079
 H    8.994  -0.822   3.702
 H    9.439  -2.141   5.650
 H    8.153   0.498   6.268
 H    9.800  -0.104   6.084
 H    9.183   1.127   4.982
 N    7.288   1.329   2.870
 C    7.178   2.066   1.578
 C    7.998   1.343   0.508
 O    7.877   1.617  -0.669
 C    7.700   3.497   1.744
 C    8.881   3.507   2.715
 C    8.424   4.061   4.065
 C    9.568   3.958   5.075
 N    9.191   4.672   6.328
 H    7.711   1.750   3.646
 H    6.140   2.094   1.269
 H    8.020   3.875   0.783
 H    6.912   4.124   2.132
 H    9.249   2.499   2.843
 H    9.668   4.130   2.319
 H    8.138   5.097   3.951
 H    7.579   3.491   4.422
 H    9.759   2.918   5.298
 H   10.458   4.406   4.659
 H    8.261   5.119   6.205
 H    9.149   3.992   7.115
 H    9.900   5.403   6.538
 N    8.828   0.416   0.904
 C    9.643  -0.325  -0.099
 C    8.736  -1.293  -0.859
 O    8.768  -1.369  -2.071
 C   10.748  -1.110   0.612
 C   11.880  -0.158   1.007
 C   12.335   0.635  -0.220
 O   12.405   0.050  -1.288
 O   12.606   1.816  -0.070
 H    8.909   0.203   1.858
 H   10.084   0.375  -0.792
 H   10.343  -1.578   1.498
 H   11.134  -1.869  -0.052
 H   11.528   0.524   1.768
 H   12.712  -0.729   1.392
 N    7.917  -2.025  -0.154
 C    6.996  -2.977  -0.834
 C    5.815  -2.191  -1.409
 O    5.100  -2.661  -2.269
 C    6.492  -4.008   0.179
 C    7.645  -4.436   1.089
 C    7.801  -5.957   1.038
 O    6.859  -6.642   1.402
 O    8.859  -6.411   0.635
 H    7.901  -1.941   0.822
 H    7.521  -3.480  -1.633
 H    5.708  -3.569   0.775
 H    6.110  -4.871  -0.345
 H    8.560  -3.968   0.754
 H    7.435  -4.132   2.103
 N    5.618  -0.992  -0.932
 C    4.502  -0.139  -1.431
 C    4.702   0.177  -2.899
 O    3.767   0.414  -3.629
 C    4.525   1.170  -0.676
 S    2.948   2.017  -0.912
 H    6.212  -0.644  -0.237
 H    3.558  -0.629  -1.281
 H    4.695   0.974   0.362
 H    5.325   1.787  -1.057
 N    5.921   0.199  -3.325
 C    6.212   0.518  -4.754
 C    5.815  -0.662  -5.636
 O    6.012  -0.651  -6.835
 C    7.705   0.789  -4.919
 O    7.904   2.164  -5.215
 H    6.648   0.011  -2.697
 H    5.652   1.393  -5.049
 H    8.219   0.544  -4.005
 H    8.092   0.176  -5.723
 H    8.169   2.234  -6.135
 N    5.278  -1.689  -5.050
 C    4.888  -2.877  -5.826
 C    3.379  -2.863  -6.106
 O    2.948  -3.105  -7.215
 C    5.257  -4.098  -4.998
 C    4.630  -5.339  -5.614
 C    5.319  -5.648  -6.945
 C    5.077  -7.110  -7.319
 N    3.703  -7.508  -6.902
 H    5.147  -1.692  -4.088
 H    5.430  -2.896  -6.758
 H    6.333  -4.201  -4.975
 H    4.889  -3.968  -3.990
 H    4.752  -6.171  -4.938
 H    3.580  -5.161  -5.784
 H    4.915  -5.007  -7.715
 H    6.380  -5.473  -6.850
 H    5.178  -7.230  -8.388
 H    5.802  -7.735  -6.817
 H    3.051  -6.712  -7.054
 H    3.393  -8.324  -7.466
 H    3.708  -7.766  -5.896
 N    2.567  -2.592  -5.115
 C    1.092  -2.581  -5.356
 C    0.588  -1.147  -5.474
 O   -0.495  -0.891  -5.964
 C    0.370  -3.295  -4.209
 O   -1.034  -3.140  -4.365
 C    0.806  -2.691  -2.876
 H    2.923  -2.405  -4.222
 H    0.892  -3.087  -6.273
 H    0.621  -4.344  -4.223
 H   -1.279  -3.505  -5.218
 H    1.309  -1.752  -3.053
 H   -0.062  -2.524  -2.255
 H    1.480  -3.372  -2.377
 N    1.373  -0.216  -5.046
 C    0.964   1.222  -5.144
 C    2.205   2.099  -5.290
 O    3.298   1.626  -5.528
 C    0.187   1.678  -3.893
 S   -0.247   0.269  -2.843
 H    2.241  -0.463  -4.674
 H    0.338   1.353  -6.014
 H    0.799   2.362  -3.327
 H   -0.716   2.184  -4.202
 N    2.034   3.381  -5.151
 C    3.190   4.313  -5.274
 C    3.275   5.205  -4.037
 O    4.248   5.898  -3.815
 C    2.998   5.187  -6.509
 O    2.259   4.468  -7.486
 C    4.360   5.580  -7.081
 H    1.139   3.732  -4.969
 H    4.092   3.748  -5.363
 H    2.456   6.076  -6.227
 H    1.367   4.822  -7.505
 H    5.132   4.986  -6.615
 H    4.365   5.406  -8.147
 H    4.544   6.626  -6.887
 N    2.255   5.194  -3.243
 C    2.235   6.038  -2.015
 C    1.507   5.288  -0.891
 O    0.996   4.207  -1.102
 C    1.493   7.340  -2.327
 C    2.472   8.513  -2.278
 C    2.990   8.800  -3.689
 C    3.822  10.084  -3.680
 N    3.369  10.976  -4.784
 H    1.496   4.632  -3.462
 H    3.246   6.261  -1.709
 H    1.059   7.275  -3.315
 H    0.709   7.493  -1.601
 H    1.967   9.388  -1.893
 H    3.303   8.264  -1.636
 H    3.603   7.975  -4.021
 H    2.153   8.921  -4.361
 H    3.695  10.589  -2.734
 H    4.865   9.838  -3.820
 H    2.331  10.946  -4.850
 H    3.677  11.950  -4.592
 H    3.783  10.655  -5.682
 N    1.479   5.892   0.271
 C    0.815   5.315   1.455
 C   -0.689   5.435   1.341
 O   -1.283   6.426   1.716
 C    1.356   6.149   2.618
 C    1.842   7.484   2.008
 C    2.102   7.213   0.515
 H    1.070   4.275   1.600
 H    0.573   6.330   3.341
 H    2.186   5.641   3.083
 H    1.080   8.242   2.124
 H    2.756   7.799   2.486
 H    1.636   7.977  -0.089
 H    3.162   7.166   0.317
 N   -1.301   4.396   0.853
 C   -2.772   4.370   0.745
 C   -3.313   4.662   2.147
 O   -2.599   5.141   3.004
 C   -3.204   2.961   0.312
 S   -3.125   2.792  -1.500
 H   -0.783   3.614   0.586
 H   -3.118   5.110   0.039
 H   -2.547   2.237   0.763
 H   -4.205   2.783   0.654
 N   -4.535   4.354   2.430
 C   -5.018   4.615   3.810
 C   -4.591   3.460   4.722
 O   -5.216   3.205   5.732
 C   -6.540   4.735   3.821
 O   -6.952   5.358   5.030
 H   -5.119   3.938   1.763
 H   -4.583   5.536   4.172
 H   -6.862   5.334   2.986
 H   -6.978   3.749   3.744
 H   -6.297   6.021   5.260
 N   -3.545   2.736   4.381
 C   -3.144   1.594   5.263
 C   -1.643   1.310   5.190
 O   -1.062   0.840   6.147
 C   -3.888   0.338   4.831
 S   -4.099   0.375   3.041
 H   -3.046   2.926   3.547
 H   -3.410   1.824   6.283
 H   -3.316  -0.535   5.110
 H   -4.855   0.306   5.309
 N   -0.997   1.569   4.085
 C    0.435   1.293   4.014
 C    1.126   2.167   5.092
 O    0.481   2.533   6.054
 C    0.917   1.636   2.616
 S   -0.311   1.315   1.309
 H   -1.439   1.942   3.312
 H    0.616   0.246   4.219
 H    1.203   2.673   2.593
 H    1.771   1.041   2.418
 N    2.399   2.495   4.943
 C    3.094   3.324   5.950
 C    2.609   4.776   5.888
 O    1.791   5.134   5.066
 C    4.567   3.219   5.551
 C    4.572   2.824   4.062
 C    3.261   2.108   3.800
 H    2.951   2.919   6.939
 H    5.057   4.174   5.689
 H    5.059   2.457   6.133
 H    4.619   3.709   3.441
 H    5.388   2.165   3.842
 H    2.866   2.461   2.869
 H    3.404   1.039   3.779
 N    3.109   5.612   6.757
 C    2.678   7.039   6.754
 C    3.529   7.828   5.758
 O    4.062   7.215   4.847
 C    2.858   7.628   8.155
 C    4.278   7.343   8.652
 C    4.979   8.662   8.980
 C    5.186   8.767  10.492
 N    3.864   8.915  11.163
 O    3.633   9.032   5.922
 H    3.766   5.301   7.414
 H    1.639   7.100   6.468
 H    2.696   8.696   8.119
 H    2.146   7.178   8.829
 H    4.231   6.728   9.540
 H    4.831   6.824   7.884
 H    5.937   8.693   8.481
 H    4.371   9.487   8.644
 H    5.674   7.873  10.851
 H    5.800   9.627  10.712
 H    3.104   8.753  10.473
 H    3.788   8.221  11.934
 H    3.778   9.876  11.551
 CD   1.011   0.420  -0.659
 CD  -2.040  -0.444   1.852
 CD  -2.657   0.383  -2.172
434
*
 N    8.213   5.544  -0.673
 C    8.893   4.448   0.075
 C    7.851   3.623   0.831
 O    7.169   4.123   1.703
 C    9.886   5.050   1.069
 O    9.913   4.252   2.245
 H    7.342   5.176  -1.109
 H    7.975   6.315  -0.018
 H    8.846   5.904  -1.413
 H    9.418   3.802  -0.622
 H   10.869   5.071   0.631
 H    9.581   6.060   1.313
 H    9.878   4.840   3.004
 N    7.764   2.376   0.455
 C    6.826   1.419   1.043
 C    7.262   0.890   2.394
 O    8.429   0.829   2.727
 C    6.684   0.355  -0.031
 C    7.886   0.517  -0.992
 C    8.598   1.800  -0.609
 H    5.888   1.882   1.167
 H    6.704  -0.624   0.424
 H    5.768   0.502  -0.559
 H    8.554  -0.308  -0.912
 H    7.523   0.621  -2.008
 H    9.592   1.584  -0.242
 H    8.640   2.464  -1.451
 N    6.284   0.565   3.197
 C    6.553   0.097   4.572
 C    7.253  -1.262   4.578
 O    7.745  -1.734   3.573
 C    5.238   0.046   5.362
 S    3.931  -0.840   4.456
 H    5.356   0.672   2.897
 H    7.206   0.813   5.049
 H    5.412  -0.458   6.299
 H    4.920   1.045   5.565
 N    7.335  -1.866   5.731
 C    8.050  -3.180   5.860
 C    7.161  -4.351   5.432
 O    7.430  -5.491   5.756
 C    8.476  -3.380   7.315
 C    8.908  -2.039   7.905
 C   10.133  -2.247   8.797
 O   11.194  -1.724   8.523
 N   10.030  -2.996   9.860
 H    6.950  -1.431   6.525
 H    8.932  -3.164   5.236
 H    7.646  -3.775   7.882
 H    9.304  -4.072   7.357
 H    9.154  -1.357   7.103
 H    8.101  -1.627   8.493
 H   10.809  -3.138  10.437
 H    9.173  -3.417  10.081
 N    6.115  -4.090   4.712
 C    5.220  -5.194   4.266
 C    4.722  -4.906   2.852
 O    3.824  -5.550   2.347
 C    4.034  -5.265   5.209
 C    4.324  -6.299   6.295
 C    3.741  -5.830   7.630
 C    4.526  -6.471   8.778
 N    3.676  -6.524  10.001
 H    5.914  -3.169   4.462
 H    5.756  -6.131   4.282
 H    3.881  -4.294   5.657
 H    3.156  -5.554   4.655
 H    3.881  -7.243   6.017
 H    5.393  -6.418   6.394
 H    3.816  -4.754   7.696
 H    2.704  -6.125   7.694
 H    4.817  -7.473   8.499
 H    5.411  -5.884   8.979
 H    2.812  -5.965   9.847
 H    3.420  -7.512  10.202
 H    4.204  -6.135  10.807
 N    5.287  -3.920   2.231
 C    4.866  -3.527   0.870
 C    5.942  -3.896  -0.147
 O    5.655  -4.190  -1.290
 C    4.719  -2.018   0.875
 S    2.987  -1.592   0.767
 H    5.983  -3.410   2.675
 H    3.916  -3.990   0.611
 H    5.124  -1.620   1.795
 H    5.250  -1.589   0.048
 N    7.182  -3.849   0.250
 C    8.274  -4.160  -0.711
 C    7.981  -5.462  -1.428
 O    7.388  -5.473  -2.488
 C    9.612  -4.248   0.030
 O    9.870  -3.013   0.682
 C   10.735  -4.544  -0.965
 H    7.394  -3.584   1.172
 H    8.315  -3.386  -1.439
 H    9.568  -5.038   0.762
 H    9.027  -2.633   0.940
 H   10.339  -4.527  -1.970
 H   11.506  -3.794  -0.870
 H   11.152  -5.519  -0.759
 N    8.355  -6.563  -0.865
 C    8.052  -7.844  -1.532
 C    6.684  -8.296  -1.043
 O    6.386  -9.473  -0.997
 C    9.109  -8.886  -1.162
 O    9.304  -9.767  -2.260
 H    8.815  -6.549   0.000
 H    8.030  -7.704  -2.604
 H   10.038  -8.393  -0.933
 H    8.776  -9.442  -0.295
 H    9.426 -10.654  -1.911
 N    5.845  -7.364  -0.653
 C    4.505  -7.774  -0.148
 C    3.441  -6.703  -0.416
 O    2.482  -6.597   0.322
 H    6.106  -6.405  -0.682
 H    4.211  -8.691  -0.637
 H    4.568  -7.947   0.916
 N    3.564  -5.916  -1.453
 C    2.499  -4.899  -1.694
 C    1.185  -5.632  -1.916
 O    1.014  -6.340  -2.889
 C    2.798  -4.043  -2.923
 S    1.608  -2.674  -2.966
 H    4.327  -6.001  -2.063
 H    2.411  -4.263  -0.824
 H    3.803  -3.652  -2.859
 H    2.696  -4.640  -3.816
 N    0.264  -5.496  -1.012
 C   -1.029  -6.224  -1.175
 C   -2.198  -5.256  -1.410
 O   -3.338  -5.670  -1.473
 C   -1.300  -7.047   0.084
 C   -0.532  -8.368   0.003
 C   -0.646  -9.109   1.337
 C   -0.464 -10.610   1.106
 N   -1.658 -11.152   0.398
 H    0.433  -4.938  -0.218
 H   -0.951  -6.893  -2.019
 H   -0.975  -6.492   0.953
 H   -2.357  -7.250   0.162
 H   -0.948  -8.978  -0.787
 H    0.507  -8.167  -0.208
 H    0.118  -8.752   2.011
 H   -1.620  -8.929   1.767
 H    0.418 -10.778   0.505
 H   -0.352 -11.110   2.057
 H   -2.361 -10.394   0.278
 H   -1.375 -11.514  -0.534
 H   -2.072 -11.924   0.957
 N   -1.950  -3.978  -1.526
 C   -3.056  -3.034  -1.734
 C   -3.532  -3.055  -3.186
 O   -2.817  -2.679  -4.094
 C   -2.561  -1.640  -1.398
 S   -1.477  -1.688   0.042
 H   -1.049  -3.629  -1.461
 H   -3.875  -3.288  -1.080
 H   -2.025  -1.224  -2.234
 H   -3.394  -1.038  -1.181
 N   -4.752  -3.454  -3.403
 C   -5.304  -3.459  -4.784
 C   -6.070  -2.149  -4.980
 O   -6.290  -1.694  -6.085
 C   -6.255  -4.645  -4.957
 H   -5.317  -3.723  -2.650
 H   -4.499  -3.523  -5.502
 H   -6.289  -5.214  -4.039
 H   -7.244  -4.283  -5.192
 H   -5.902  -5.277  -5.759
 N   -6.463  -1.541  -3.893
 C   -7.202  -0.251  -3.957
 C   -6.868   0.551  -2.698
 O   -6.007   0.174  -1.929
 C   -8.707  -0.524  -4.007
 O   -8.993  -1.720  -3.294
 C   -9.152  -0.674  -5.464
 H   -6.259  -1.934  -3.019
 H   -6.901   0.304  -4.832
 H   -9.238   0.300  -3.557
 H   -9.676  -2.197  -3.772
 H   -8.852   0.200  -6.023
 H   -8.691  -1.552  -5.892
 H  -10.226  -0.774  -5.504
 N   -7.534   1.647  -2.474
 C   -7.237   2.452  -1.254
 C   -7.866   1.777  -0.033
 O   -7.447   1.994   1.086
 C   -7.811   3.861  -1.416
 C   -9.301   3.772  -1.752
 C  -10.105   4.571  -0.723
 C  -10.154   6.041  -1.145
 N   -9.427   6.871  -0.142
 H   -8.227   1.939  -3.102
 H   -6.163   2.509  -1.113
 H   -7.680   4.410  -0.495
 H   -7.294   4.371  -2.215
 H   -9.473   4.178  -2.738
 H   -9.615   2.739  -1.727
 H  -11.111   4.178  -0.668
 H   -9.633   4.492   0.244
 H   -9.686   6.154  -2.112
 H  -11.182   6.365  -1.202
 H   -9.505   6.428   0.796
 H   -8.426   6.942  -0.412
 H   -9.844   7.823  -0.113
 N   -8.857   0.951  -0.234
 C   -9.484   0.260   0.928
 C   -8.439  -0.653   1.565
 O   -8.253  -0.662   2.766
 C  -10.675  -0.575   0.457
 C  -11.954  -0.055   1.118
 C  -12.849   0.587   0.057
 O  -12.945   0.031  -1.024
 O  -13.423   1.624   0.345
 H   -9.178   0.777  -1.143
 H   -9.814   0.992   1.650
 H  -10.765  -0.500  -0.616
 H  -10.523  -1.607   0.736
 H  -12.478  -0.877   1.583
 H  -11.701   0.681   1.866
 N   -7.739  -1.407   0.763
 C   -6.686  -2.303   1.313
 C   -5.463  -1.451   1.653
 O   -4.767  -1.695   2.618
 C   -6.306  -3.352   0.266
 C   -7.567  -3.857  -0.439
 C   -8.562  -4.378   0.599
 O   -9.304  -3.573   1.136
 O   -8.565  -5.575   0.839
 H   -7.895  -1.371  -0.204
 H   -7.052  -2.791   2.204
 H   -5.640  -2.908  -0.461
 H   -5.810  -4.180   0.749
 H   -8.018  -3.047  -0.996
 H   -7.305  -4.656  -1.116
 N   -5.208  -0.442   0.864
 C   -4.048   0.449   1.128
 C   -4.203   1.084   2.492
 O   -3.249   1.451   3.140
 C   -4.035   1.559   0.109
 S   -2.422   2.367   0.172
 H   -5.789  -0.264   0.098
 H   -3.128  -0.107   1.072
 H   -4.216   1.149  -0.863
 H   -4.808   2.273   0.346
 N   -5.413   1.231   2.912
 C   -5.679   1.851   4.237
 C   -5.419   0.805   5.309
 O   -5.085   1.105   6.438
 C   -7.140   2.285   4.306
 O   -7.924   1.214   4.816
 H   -6.153   0.933   2.343
 H   -5.032   2.703   4.385
 H   -7.233   3.134   4.958
 H   -7.479   2.551   3.315
 H   -8.820   1.319   4.487
 N   -5.594  -0.426   4.946
 C   -5.392  -1.540   5.904
 C   -3.902  -1.756   6.187
 O   -3.527  -2.149   7.274
 C   -5.992  -2.808   5.299
 C   -6.666  -3.633   6.397
 C   -7.348  -4.854   5.774
 C   -8.855  -4.608   5.680
 N   -9.300  -4.798   4.271
 H   -5.880  -0.617   4.030
 H   -5.898  -1.312   6.827
 H   -6.724  -2.532   4.552
 H   -5.210  -3.391   4.837
 H   -5.922  -3.959   7.110
 H   -7.405  -3.028   6.899
 H   -6.948  -5.024   4.785
 H   -7.165  -5.722   6.389
 H   -9.375  -5.306   6.320
 H   -9.076  -3.598   5.994
 H   -8.799  -5.609   3.855
 H  -10.325  -4.977   4.253
 H   -9.087  -3.942   3.721
 N   -3.044  -1.520   5.231
 C   -1.590  -1.738   5.490
 C   -0.841  -0.407   5.464
 O    0.272  -0.294   5.937
 C   -1.012  -2.694   4.439
 O   -0.503  -1.946   3.346
 C   -2.108  -3.639   3.943
 H   -3.351  -1.211   4.353
 H   -1.479  -2.168   6.460
 H   -0.216  -3.275   4.879
 H    0.455  -1.952   3.403
 H   -2.806  -3.832   4.744
 H   -2.629  -3.182   3.114
 H   -1.663  -4.568   3.621
 N   -1.460   0.598   4.940
 C   -0.809   1.952   4.898
 C   -1.876   3.042   4.933
 O   -3.051   2.782   5.090
 C    0.021   2.154   3.619
 S    0.332   0.583   2.792
 H   -2.363   0.466   4.597
 H   -0.166   2.060   5.759
 H   -0.517   2.805   2.946
 H    0.963   2.615   3.878
 N   -1.462   4.266   4.762
 C   -2.427   5.398   4.754
 C   -2.299   6.158   3.435
 O   -3.090   7.023   3.116
 C   -2.109   6.340   5.911
 O   -2.036   5.597   7.119
 C   -3.204   7.402   6.024
 H   -0.507   4.441   4.626
 H   -3.422   5.019   4.851
 H   -1.162   6.821   5.722
 H   -2.579   4.812   7.019
 H   -4.012   7.159   5.350
 H   -3.576   7.429   7.037
 H   -2.796   8.367   5.765
 N   -1.299   5.836   2.676
 C   -1.077   6.519   1.371
 C   -0.397   5.544   0.400
 O   -0.075   4.430   0.767
 C   -0.169   7.733   1.597
 C   -0.945   9.022   1.315
 C   -0.857   9.943   2.535
 C   -1.196  11.378   2.125
 N    0.045  12.082   1.692
 H   -0.686   5.142   2.971
 H   -2.023   6.842   0.962
 H    0.172   7.737   2.622
 H    0.683   7.674   0.938
 H   -0.518   9.517   0.455
 H   -1.979   8.784   1.119
 H   -1.557   9.608   3.288
 H    0.144   9.912   2.938
 H   -1.903  11.361   1.310
 H   -1.629  11.898   2.967
 H    0.851  11.426   1.736
 H   -0.071  12.419   0.716
 H    0.221  12.892   2.322
 N   -0.188   5.997  -0.810
 C    0.468   5.196  -1.862
 C    1.957   5.133  -1.627
 O    2.711   5.985  -2.054
 C    0.133   5.946  -3.154
 C   -0.204   7.397  -2.741
 C   -0.581   7.355  -1.247
 H    0.083   4.188  -1.911
 H    0.987   5.934  -3.818
 H   -0.721   5.496  -3.635
 H    0.657   8.034  -2.892
 H   -1.041   7.761  -3.317
 H   -0.030   8.107  -0.702
 H   -1.643   7.494  -1.119
 N    2.377   4.093  -0.970
 C    3.815   3.888  -0.722
 C    4.512   3.969  -2.080
 O    3.941   4.415  -3.054
 C    4.014   2.487  -0.132
 S    3.708   2.500   1.664
 H    1.734   3.428  -0.661
 H    4.198   4.642  -0.050
 H    3.325   1.804  -0.604
 H    5.020   2.165  -0.333
 N    5.717   3.519  -2.196
 C    6.362   3.580  -3.532
 C    5.893   2.393  -4.385
 O    6.602   1.949  -5.267
 C    7.880   3.527  -3.378
 O    8.314   2.177  -3.484
 H    6.184   3.128  -1.428
 H    6.084   4.502  -4.020
 H    8.344   4.111  -4.157
 H    8.157   3.934  -2.415
 H    9.265   2.160  -3.355
 N    4.720   1.848  -4.132
 C    4.284   0.673  -4.956
 C    2.758   0.570  -5.046
 O    2.233   0.058  -6.016
 C    4.817  -0.604  -4.318
 S    4.834  -0.390  -2.529
 H    4.146   2.187  -3.397
 H    4.693   0.765  -5.950
 H    4.177  -1.434  -4.579
 H    5.821  -0.793  -4.670
 N    2.032   1.038  -4.067
 C    0.574   0.952  -4.142
 C    0.130   1.776  -5.377
 O    0.914   1.929  -6.292
 C    0.004   1.522  -2.856
 S    1.037   1.200  -1.393
 H    2.434   1.454  -3.294
 H    0.265  -0.082  -4.254
 H   -0.130   2.584  -2.976
 H   -0.942   1.074  -2.699
 N   -1.085   2.301  -5.406
 C   -1.540   3.100  -6.562
 C   -0.868   4.477  -6.557
 O   -0.204   4.849  -5.611
 C   -3.048   3.229  -6.343
 C   -3.276   3.002  -4.835
 C   -2.106   2.173  -4.338
 H   -1.343   2.581  -7.486
 H   -3.381   4.217  -6.631
 H   -3.574   2.476  -6.909
 H   -3.282   3.949  -4.312
 H   -4.188   2.468  -4.661
 H   -1.764   2.592  -3.412
 H   -2.394   1.141  -4.211
 N   -1.034   5.234  -7.606
 C   -0.404   6.582  -7.657
 C   -1.147   7.525  -6.709
 O   -1.275   7.184  -5.545
 C   -0.481   7.128  -9.084
 C   -1.945   7.219  -9.515
 C   -2.212   8.595 -10.127
 C   -1.452   8.719 -11.449
 N   -0.500   9.863 -11.369
 O   -1.576   8.573  -7.164
 H   -1.574   4.916  -8.360
 H    0.630   6.509  -7.354
 H   -0.032   8.111  -9.118
 H    0.049   6.466  -9.752
 H   -2.152   6.451 -10.247
 H   -2.583   7.079  -8.655
 H   -3.271   8.709 -10.307
 H   -1.876   9.363  -9.447
 H   -0.905   7.807 -11.636
 H   -2.153   8.890 -12.253
 H   -0.904  10.611 -10.773
 H    0.399   9.536 -10.956
 H   -0.327  10.238 -12.323
 CD  -0.604   0.634   0.443
 CD   2.550  -0.808  -1.570
 CD   2.789   0.265   2.445
434
*
 N    8.728   5.087  -1.731
 C    9.298   3.853  -1.120
 C    8.285   3.241  -0.149
 O    7.817   3.893   0.764
 C   10.586   4.196  -0.373
 O   10.293   4.396   1.003
 H    7.693   5.006  -1.773
 H    8.990   5.912  -1.154
 H    9.104   5.202  -2.694
 H    9.515   3.129  -1.900
 H   11.287   3.385  -0.471
 H   11.016   5.095  -0.795
 H   10.026   5.311   1.119
 N    7.981   1.996  -0.396
 C    7.030   1.218   0.403
 C    7.543   0.811   1.771
 O    8.728   0.743   2.032
 C    6.669   0.052  -0.495
 C    7.751  -0.031  -1.594
 C    8.570   1.242  -1.513
 H    6.155   1.790   0.551
 H    6.670  -0.857   0.088
 H    5.707   0.216  -0.932
 H    8.381  -0.877  -1.447
 H    7.277  -0.069  -2.567
 H    9.607   1.012  -1.315
 H    8.473   1.797  -2.427
 N    6.609   0.606   2.662
 C    6.945   0.272   4.064
 C    7.554  -1.127   4.193
 O    8.008  -1.722   3.234
 C    5.686   0.411   4.938
 S    4.291  -0.549   4.272
 H    5.669   0.719   2.405
 H    7.675   0.988   4.412
 H    5.905   0.059   5.932
 H    5.416   1.443   4.995
 N    7.611  -1.619   5.398
 C    8.241  -2.954   5.665
 C    7.298  -4.109   5.339
 O    7.550  -5.243   5.694
 C    8.597  -3.031   7.140
 C    7.316  -3.050   7.976
 C    7.678  -3.083   9.461
 O    7.600  -2.079  10.141
 N    8.077  -4.204   9.996
 H    7.267  -1.083   6.146
 H    9.141  -3.049   5.080
 H    9.159  -3.933   7.322
 H    9.187  -2.172   7.409
 H    6.735  -2.164   7.766
 H    6.738  -3.928   7.730
 H    8.309  -4.238  10.948
 H    8.142  -5.013   9.447
 N    6.225  -3.841   4.681
 C    5.270  -4.938   4.344
 C    4.772  -4.770   2.913
 O    3.885  -5.467   2.462
 C    4.079  -4.867   5.291
 C    4.339  -5.751   6.511
 C    3.055  -6.494   6.886
 C    2.539  -5.975   8.229
 N    1.200  -5.348   8.040
 H    6.041  -2.921   4.411
 H    5.761  -5.892   4.449
 H    3.938  -3.843   5.605
 H    3.196  -5.212   4.776
 H    5.116  -6.466   6.280
 H    4.652  -5.135   7.341
 H    2.309  -6.328   6.123
 H    3.261  -7.550   6.965
 H    2.455  -6.798   8.924
 H    3.227  -5.242   8.621
 H    0.903  -5.454   7.050
 H    0.508  -5.815   8.659
 H    1.254  -4.336   8.280
 N    5.317  -3.829   2.212
 C    4.879  -3.566   0.830
 C    5.920  -4.076  -0.162
 O    5.615  -4.369  -1.301
 C    4.769  -2.063   0.695
 S    3.045  -1.594   0.730
 H    6.006  -3.267   2.606
 H    3.913  -4.025   0.643
 H    5.282  -1.591   1.521
 H    5.215  -1.739  -0.222
 N    7.151  -4.158   0.251
 C    8.210  -4.619  -0.688
 C    7.784  -5.907  -1.360
 O    7.139  -5.895  -2.390
 C    9.523  -4.827   0.068
 O   10.028  -3.567   0.489
 C   10.543  -5.505  -0.847
 H    7.382  -3.897   1.170
 H    8.338  -3.884  -1.441
 H    9.348  -5.452   0.931
 H   10.040  -3.558   1.448
 H   10.486  -5.070  -1.833
 H   11.536  -5.361  -0.447
 H   10.329  -6.562  -0.905
 N    8.109  -7.017  -0.788
 C    7.684  -8.289  -1.400
 C    6.319  -8.630  -0.823
 O    5.940  -9.782  -0.739
 C    8.687  -9.390  -1.051
 O    8.940  -9.366   0.348
 H    8.613  -7.013   0.053
 H    7.613  -8.178  -2.472
 H    8.281 -10.350  -1.322
 H    9.607  -9.223  -1.596
 H    9.849  -9.637   0.491
 N    5.576  -7.635  -0.397
 C    4.244  -7.948   0.197
 C    3.230  -6.818  -0.012
 O    2.429  -6.546   0.860
 H    5.903  -6.695  -0.455
 H    3.861  -8.848  -0.260
 H    4.365  -8.118   1.256
 N    3.214  -6.170  -1.146
 C    2.191  -5.099  -1.331
 C    0.815  -5.756  -1.323
 O    0.467  -6.499  -2.219
 C    2.384  -4.369  -2.659
 S    1.254  -2.949  -2.711
 H    3.841  -6.397  -1.864
 H    2.257  -4.393  -0.514
 H    3.405  -4.025  -2.740
 H    2.161  -5.038  -3.477
 N    0.040  -5.519  -0.306
 C   -1.301  -6.174  -0.241
 C   -2.435  -5.194  -0.590
 O   -3.588  -5.576  -0.618
 C   -1.525  -6.732   1.167
 C   -2.879  -7.443   1.227
 C   -2.717  -8.808   1.903
 C   -2.684  -9.907   0.839
 N   -4.041 -10.510   0.703
 H    0.351  -4.937   0.424
 H   -1.322  -6.992  -0.945
 H   -0.738  -7.435   1.403
 H   -1.512  -5.924   1.883
 H   -3.576  -6.841   1.792
 H   -3.255  -7.583   0.225
 H   -1.795  -8.824   2.466
 H   -3.549  -8.981   2.570
 H   -2.383  -9.484  -0.108
 H   -1.979 -10.671   1.132
 H   -4.644 -10.186   1.488
 H   -4.461 -10.218  -0.201
 H   -3.965 -11.546   0.728
 N   -2.148  -3.942  -0.848
 C   -3.226  -3.000  -1.173
 C   -3.698  -3.206  -2.611
 O   -2.968  -2.980  -3.556
 C   -2.698  -1.584  -1.016
 S   -1.588  -1.483   0.401
 H   -1.238  -3.612  -0.821
 H   -4.053  -3.150  -0.496
 H   -2.171  -1.283  -1.904
 H   -3.516  -0.944  -0.859
 N   -4.926  -3.604  -2.781
 C   -5.468  -3.794  -4.155
 C   -6.067  -2.464  -4.608
 O   -6.215  -2.195  -5.784
 C   -6.555  -4.871  -4.137
 H   -5.501  -3.756  -2.002
 H   -4.672  -4.086  -4.825
 H   -6.200  -5.734  -3.593
 H   -7.439  -4.481  -3.654
 H   -6.796  -5.157  -5.150
 N   -6.402  -1.627  -3.665
 C   -6.983  -0.299  -3.993
 C   -6.675   0.654  -2.838
 O   -6.174   0.245  -1.811
 C   -8.500  -0.429  -4.160
 O   -9.107   0.844  -3.983
 C   -9.049  -1.406  -3.118
 H   -6.261  -1.874  -2.727
 H   -6.544   0.079  -4.905
 H   -8.723  -0.801  -5.149
 H   -9.714   0.987  -4.713
 H   -8.255  -1.704  -2.450
 H   -9.834  -0.924  -2.552
 H   -9.447  -2.278  -3.615
 N   -6.965   1.915  -2.984
 C   -6.677   2.865  -1.872
 C   -7.492   2.459  -0.641
 O   -7.221   2.889   0.462
 C   -7.055   4.286  -2.296
 C   -8.571   4.382  -2.475
 C   -8.912   5.633  -3.286
 C   -9.042   6.830  -2.344
 N  -10.363   6.778  -1.658
 H   -7.370   2.237  -3.817
 H   -5.622   2.826  -1.629
 H   -6.736   4.985  -1.535
 H   -6.568   4.524  -3.230
 H   -8.928   3.505  -2.995
 H   -9.044   4.444  -1.506
 H   -8.127   5.821  -4.005
 H   -9.847   5.482  -3.805
 H   -8.252   6.796  -1.609
 H   -8.966   7.745  -2.913
 H  -10.699   5.795  -1.626
 H  -10.264   7.144  -0.689
 H  -11.048   7.359  -2.181
 N   -8.484   1.627  -0.818
 C   -9.304   1.190   0.348
 C   -8.437   0.338   1.275
 O   -8.392   0.550   2.471
 C  -10.494   0.363  -0.144
 C  -11.357   1.218  -1.069
 C  -12.593   1.697  -0.308
 O  -12.422   2.361   0.701
 O  -13.690   1.389  -0.744
 H   -8.685   1.285  -1.714
 H   -9.662   2.057   0.884
 H  -10.134  -0.503  -0.681
 H  -11.084   0.043   0.702
 H  -10.786   2.072  -1.405
 H  -11.664   0.632  -1.922
 N   -7.740  -0.620   0.730
 C   -6.865  -1.481   1.572
 C   -5.564  -0.728   1.850
 O   -4.871  -0.992   2.811
 C   -6.563  -2.783   0.826
 C   -7.854  -3.324   0.208
 C   -8.292  -4.583   0.956
 O   -8.098  -4.631   2.160
 O   -8.817  -5.478   0.314
 H   -7.786  -0.769  -0.238
 H   -7.363  -1.702   2.505
 H   -5.841  -2.591   0.045
 H   -6.164  -3.511   1.516
 H   -8.628  -2.574   0.280
 H   -7.682  -3.565  -0.830
 N   -5.234   0.210   1.006
 C   -3.985   0.997   1.199
 C   -4.075   1.831   2.463
 O   -3.102   2.064   3.145
 C   -3.811   1.965   0.056
 S   -2.153   2.659   0.178
 H   -5.811   0.396   0.237
 H   -3.133   0.336   1.244
 H   -3.942   1.450  -0.873
 H   -4.540   2.758   0.137
 N   -5.240   2.299   2.762
 C   -5.419   3.139   3.979
 C   -5.419   2.227   5.200
 O   -5.540   2.666   6.326
 C   -6.753   3.877   3.899
 O   -6.759   4.940   4.843
 H   -6.001   2.094   2.180
 H   -4.610   3.851   4.054
 H   -6.885   4.279   2.909
 H   -7.556   3.185   4.115
 H   -6.702   5.767   4.359
 N   -5.307   0.953   4.969
 C   -5.323  -0.023   6.076
 C   -3.892  -0.460   6.422
 O   -3.577  -0.717   7.568
 C   -6.145  -1.220   5.610
 C   -7.172  -1.590   6.683
 C   -6.975  -3.047   7.103
 C   -7.207  -3.177   8.609
 N   -8.659  -3.386   8.870
 H   -5.233   0.632   4.053
 H   -5.787   0.417   6.943
 H   -6.660  -0.955   4.693
 H   -5.493  -2.057   5.424
 H   -7.042  -0.946   7.541
 H   -8.168  -1.465   6.286
 H   -7.680  -3.673   6.574
 H   -5.968  -3.358   6.867
 H   -6.648  -4.019   8.988
 H   -6.879  -2.274   9.102
 H   -9.193  -3.251   7.986
 H   -8.812  -4.352   9.223
 H   -8.988  -2.703   9.581
 N   -3.020  -0.549   5.452
 C   -1.619  -0.972   5.755
 C   -0.677   0.223   5.646
 O    0.416   0.226   6.176
 C   -1.188  -2.066   4.779
 O    0.192  -2.346   4.961
 C   -1.431  -1.592   3.350
 H   -3.284  -0.340   4.532
 H   -1.580  -1.346   6.753
 H   -1.765  -2.959   4.961
 H    0.366  -2.380   5.904
 H   -1.747  -0.560   3.363
 H   -0.518  -1.682   2.780
 H   -2.201  -2.199   2.896
 N   -1.115   1.240   4.985
 C   -0.279   2.474   4.846
 C   -1.180   3.702   4.945
 O   -2.364   3.602   5.200
 C    0.439   2.525   3.486
 S    0.611   0.871   2.778
 H   -2.007   1.198   4.599
 H    0.453   2.500   5.640
 H   -0.130   3.141   2.808
 H    1.419   2.959   3.621
 N   -0.627   4.859   4.721
 C   -1.440   6.104   4.772
 C   -1.512   6.703   3.372
 O   -2.277   7.607   3.100
 C   -0.781   7.105   5.716
 O   -0.252   6.416   6.840
 C   -1.814   8.134   6.180
 H    0.328   4.908   4.501
 H   -2.427   5.871   5.111
 H    0.017   7.610   5.193
 H    0.525   5.933   6.551
 H   -2.716   8.027   5.595
 H   -2.040   7.971   7.223
 H   -1.416   9.129   6.048
 N   -0.711   6.195   2.490
 C   -0.695   6.707   1.092
 C   -0.132   5.614   0.163
 O    0.178   4.528   0.611
 C    0.171   7.981   1.048
 C    1.627   7.637   0.706
 C    2.506   8.875   0.904
 C    1.940  10.040   0.089
 N    2.892  11.187   0.133
 H   -0.113   5.474   2.753
 H   -1.703   6.948   0.790
 H   -0.224   8.658   0.309
 H    0.141   8.460   2.016
 H    1.972   6.844   1.354
 H    1.690   7.314  -0.322
 H    2.522   9.140   1.951
 H    3.510   8.660   0.571
 H    1.800   9.727  -0.935
 H    0.991  10.343   0.506
 H    3.830  10.848   0.431
 H    2.963  11.615  -0.812
 H    2.548  11.898   0.809
 N   -0.013   5.936  -1.102
 C    0.511   5.006  -2.119
 C    2.014   4.928  -2.035
 O    2.734   5.732  -2.593
 C    0.055   5.616  -3.445
 C   -0.210   7.113  -3.168
 C   -0.386   7.260  -1.644
 H    0.110   4.009  -2.014
 H    0.831   5.502  -4.190
 H   -0.854   5.141  -3.779
 H    0.631   7.705  -3.505
 H   -1.110   7.429  -3.670
 H    0.280   8.023  -1.272
 H   -1.410   7.492  -1.398
 N    2.473   3.927  -1.353
 C    3.920   3.699  -1.229
 C    4.486   3.666  -2.648
 O    3.833   4.058  -3.594
 C    4.134   2.339  -0.561
 S    4.012   2.499   1.246
 H    1.850   3.303  -0.938
 H    4.383   4.485  -0.651
 H    3.377   1.653  -0.908
 H    5.102   1.963  -0.834
 N    5.664   3.176  -2.839
 C    6.188   3.124  -4.226
 C    5.603   1.906  -4.955
 O    6.196   1.406  -5.890
 C    7.713   3.020  -4.202
 O    8.251   3.704  -5.326
 H    6.192   2.830  -2.089
 H    5.900   4.024  -4.749
 H    8.092   3.470  -3.300
 H    8.001   1.977  -4.230
 H    8.946   4.288  -5.013
 N    4.458   1.398  -4.541
 C    3.913   0.195  -5.253
 C    2.383   0.162  -5.225
 O    1.762  -0.372  -6.122
 C    4.436  -1.068  -4.579
 S    4.614  -0.754  -2.813
 H    3.974   1.785  -3.764
 H    4.248   0.209  -6.279
 H    3.737  -1.878  -4.735
 H    5.395  -1.332  -4.998
 N    1.760   0.713  -4.220
 C    0.299   0.693  -4.172
 C   -0.224   1.467  -5.412
 O    0.480   1.535  -6.401
 C   -0.132   1.355  -2.879
 S    1.013   1.084  -1.491
 H    2.243   1.144  -3.505
 H   -0.059  -0.329  -4.195
 H   -0.242   2.412  -3.051
 H   -1.075   0.953  -2.613
 N   -1.421   2.037  -5.362
 C   -1.965   2.786  -6.516
 C   -1.268   4.143  -6.662
 O   -0.335   4.454  -5.948
 C   -3.441   2.974  -6.164
 C   -3.529   2.840  -4.631
 C   -2.340   2.005  -4.199
 H   -1.873   2.211  -7.423
 H   -3.776   3.956  -6.475
 H   -4.039   2.209  -6.632
 H   -3.460   3.815  -4.167
 H   -4.434   2.347  -4.341
 H   -1.900   2.466  -3.336
 H   -2.642   0.992  -3.982
 N   -1.719   4.951  -7.583
 C   -1.091   6.287  -7.781
 C   -2.094   7.381  -7.406
 O   -2.818   7.189  -6.444
 C   -0.690   6.451  -9.248
 C   -1.938   6.367 -10.130
 C   -1.684   5.394 -11.284
 C   -2.957   4.595 -11.572
 N   -3.167   4.513 -13.045
 O   -2.121   8.391  -8.090
 H   -2.473   4.677  -8.146
 H   -0.215   6.370  -7.155
 H   -0.215   7.412  -9.385
 H   -0.002   5.666  -9.524
 H   -2.773   6.017  -9.540
 H   -2.164   7.344 -10.530
 H   -1.398   5.949 -12.166
 H   -0.889   4.715 -11.013
 H   -2.858   3.599 -11.166
 H   -3.803   5.088 -11.115
 H   -2.312   4.842 -13.537
 H   -3.365   3.527 -13.312
 H   -3.972   5.113 -13.316
 CD  -0.499   0.784   0.505
 CD   2.414  -1.004  -1.620
 CD   3.022   0.398   2.264
434
*
 N   -6.921  -5.492   0.022
 C   -7.815  -4.304   0.119
 C   -7.062  -3.147   0.775
 O   -6.325  -3.341   1.719
 C   -9.045  -4.653   0.956
 O   -9.605  -3.461   1.489
 H   -6.610  -5.769   0.976
 H   -7.437  -6.280  -0.418
 H   -6.092  -5.256  -0.559
 H   -8.128  -3.998  -0.875
 H   -9.778  -5.142   0.336
 H   -8.756  -5.318   1.759
 H  -10.115  -3.037   0.795
 N   -7.285  -1.978   0.239
 C   -6.664  -0.734   0.703
 C   -7.242  -0.227   2.002
 O   -8.436  -0.151   2.214
 C   -6.817   0.212  -0.478
 C   -7.890  -0.399  -1.411
 C   -8.203  -1.789  -0.894
 H   -5.621  -0.897   0.856
 H   -7.138   1.184  -0.130
 H   -5.892   0.296  -0.991
 H   -8.774   0.190  -1.420
 H   -7.481  -0.500  -2.411
 H   -9.232  -1.846  -0.566
 H   -8.006  -2.513  -1.659
 N   -6.343   0.078   2.887
 C   -6.709   0.548   4.233
 C   -7.308   1.952   4.175
 O   -7.745   2.415   3.139
 C   -5.454   0.518   5.113
 S   -4.028   1.274   4.268
 H   -5.396  -0.033   2.659
 H   -7.442  -0.126   4.650
 H   -5.644   1.058   6.025
 H   -5.228  -0.495   5.354
 N   -7.359   2.616   5.294
 C   -7.957   3.975   5.343
 C   -6.919   5.040   4.963
 O   -7.019   6.187   5.349
 C   -8.456   4.224   6.763
 C   -8.992   5.641   6.864
 C  -10.332   5.633   7.604
 O  -10.569   4.787   8.442
 N  -11.224   6.545   7.327
 H   -7.021   2.208   6.115
 H   -8.791   4.026   4.659
 H   -9.243   3.522   6.997
 H   -7.641   4.098   7.460
 H   -8.280   6.248   7.400
 H   -9.130   6.036   5.870
 H  -12.085   6.547   7.796
 H  -11.033   7.228   6.651
 N   -5.923   4.670   4.214
 C   -4.879   5.659   3.813
 C   -4.315   5.280   2.446
 O   -3.286   5.769   2.024
 C   -3.751   5.607   4.826
 C   -3.804   6.845   5.719
 C   -2.381   7.321   6.016
 C   -2.253   8.800   5.651
 N   -2.517   9.633   6.857
 H   -5.856   3.741   3.919
 H   -5.300   6.652   3.780
 H   -3.860   4.716   5.428
 H   -2.809   5.577   4.303
 H   -4.349   7.629   5.214
 H   -4.300   6.600   6.646
 H   -2.167   7.188   7.066
 H   -1.679   6.746   5.430
 H   -1.255   8.997   5.288
 H   -2.971   9.044   4.881
 H   -3.448   9.390   7.249
 H   -1.781   9.451   7.571
 H   -2.505  10.638   6.595
 N   -4.963   4.382   1.778
 C   -4.474   3.909   0.465
 C   -5.392   4.383  -0.658
 O   -4.956   4.637  -1.764
 C   -4.514   2.396   0.509
 S   -2.841   1.756   0.562
 H   -5.762   3.983   2.157
 H   -3.456   4.245   0.293
 H   -5.042   2.082   1.398
 H   -5.024   2.017  -0.354
 N   -6.665   4.467  -0.398
 C   -7.607   4.883  -1.474
 C   -7.097   6.141  -2.147
 O   -6.423   6.083  -3.156
 C   -9.000   5.123  -0.888
 O   -9.550   3.884  -0.460
 C   -9.905   5.743  -1.953
 H   -7.002   4.231   0.495
 H   -7.649   4.111  -2.205
 H   -8.927   5.795  -0.047
 H   -9.032   3.570   0.285
 H   -9.343   5.885  -2.864
 H  -10.740   5.085  -2.144
 H  -10.272   6.697  -1.603
 N   -7.379   7.276  -1.598
 C   -6.864   8.514  -2.216
 C   -5.500   8.791  -1.601
 O   -5.069   9.923  -1.505
 C   -7.810   9.680  -1.921
 O   -7.776   9.973  -0.530
 H   -7.904   7.313  -0.772
 H   -6.766   8.378  -3.283
 H   -7.498  10.550  -2.475
 H   -8.815   9.410  -2.217
 H   -8.459  10.622  -0.347
 N   -4.815   7.762  -1.155
 C   -3.488   8.009  -0.524
 C   -2.528   6.829  -0.713
 O   -1.582   6.686   0.036
 H   -5.183   6.841  -1.223
 H   -3.050   8.891  -0.966
 H   -3.631   8.179   0.533
 N   -2.723   5.987  -1.694
 C   -1.757   4.861  -1.861
 C   -0.361   5.453  -2.016
 O   -0.022   6.009  -3.042
 C   -2.085   4.024  -3.097
 S   -1.068   2.521  -3.068
 H   -3.475   6.101  -2.311
 H   -1.782   4.233  -0.981
 H   -3.131   3.756  -3.087
 H   -1.864   4.592  -3.988
 N    0.442   5.367  -0.998
 C    1.809   5.961  -1.087
 C    2.874   4.885  -1.339
 O    4.048   5.188  -1.418
 C    2.130   6.688   0.220
 C    2.530   8.134  -0.086
 C    4.022   8.324   0.198
 C    4.211   9.452   1.215
 N    5.261   9.066   2.200
 H    0.136   4.933  -0.169
 H    1.830   6.673  -1.897
 H    1.258   6.681   0.859
 H    2.947   6.188   0.718
 H    2.331   8.349  -1.126
 H    1.959   8.806   0.537
 H    4.432   7.407   0.596
 H    4.532   8.579  -0.718
 H    4.514  10.353   0.702
 H    3.280   9.630   1.733
 H    6.121   8.775   1.694
 H    5.477   9.880   2.813
 H    4.919   8.276   2.782
 N    2.504   3.639  -1.448
 C    3.510   2.595  -1.667
 C    3.929   2.544  -3.135
 O    3.142   2.232  -4.007
 C    2.906   1.260  -1.270
 S    1.836   1.458   0.173
 H    1.575   3.376  -1.367
 H    4.371   2.794  -1.052
 H    2.337   0.856  -2.090
 H    3.691   0.603  -1.030
 N    5.173   2.817  -3.409
 C    5.660   2.751  -4.814
 C    6.088   1.311  -5.092
 O    6.133   0.861  -6.219
 C    6.856   3.689  -4.989
 H    5.793   3.042  -2.685
 H    4.867   3.034  -5.491
 H    6.999   4.264  -4.086
 H    7.744   3.107  -5.189
 H    6.672   4.358  -5.817
 N    6.391   0.588  -4.049
 C    6.809  -0.832  -4.192
 C    6.562  -1.530  -2.854
 O    6.125  -0.912  -1.905
 C    8.298  -0.900  -4.547
 O    8.843  -2.120  -4.065
 C    9.032   0.278  -3.905
 H    6.334   0.984  -3.155
 H    6.224  -1.308  -4.966
 H    8.416  -0.851  -5.619
 H    9.798  -2.026  -4.033
 H    8.907   0.239  -2.833
 H   10.084   0.222  -4.147
 H    8.625   1.205  -4.281
 N    6.831  -2.800  -2.757
 C    6.596  -3.498  -1.460
 C    7.516  -2.902  -0.392
 O    7.309  -3.086   0.792
 C    6.889  -4.990  -1.618
 C    8.378  -5.190  -1.910
 C    8.962  -6.198  -0.918
 C    8.242  -7.539  -1.069
 N    9.013  -8.599  -0.359
 H    7.183  -3.293  -3.527
 H    5.565  -3.361  -1.160
 H    6.628  -5.506  -0.706
 H    6.307  -5.386  -2.436
 H    8.499  -5.563  -2.916
 H    8.894  -4.248  -1.809
 H   10.016  -6.330  -1.118
 H    8.829  -5.831   0.089
 H    7.253  -7.466  -0.642
 H    8.165  -7.790  -2.116
 H    9.157  -8.319   0.631
 H    8.482  -9.494  -0.394
 H    9.936  -8.724  -0.819
 N    8.526  -2.182  -0.799
 C    9.450  -1.569   0.194
 C    8.728  -0.424   0.905
 O    8.846  -0.247   2.102
 C   10.689  -1.029  -0.523
 C   11.938  -1.399   0.278
 C   13.187  -0.983  -0.501
 O   13.040  -0.271  -1.481
 O   14.269  -1.384  -0.104
 H    8.672  -2.041  -1.758
 H    9.747  -2.313   0.919
 H   10.751  -1.463  -1.510
 H   10.620   0.046  -0.604
 H   11.919  -0.888   1.230
 H   11.957  -2.465   0.441
 N    7.969   0.347   0.176
 C    7.221   1.473   0.801
 C    5.908   0.924   1.359
 O    5.290   1.508   2.225
 C    6.926   2.538  -0.257
 C    8.151   2.729  -1.152
 C    9.140   3.678  -0.472
 O    8.701   4.488   0.328
 O   10.321   3.579  -0.763
 H    7.881   0.175  -0.785
 H    7.806   1.902   1.600
 H    6.089   2.221  -0.859
 H    6.688   3.472   0.229
 H    8.626   1.775  -1.324
 H    7.841   3.150  -2.096
 N    5.489  -0.203   0.855
 C    4.227  -0.837   1.329
 C    4.361  -1.239   2.784
 O    3.413  -1.231   3.530
 C    3.977  -2.097   0.529
 S    2.278  -2.646   0.809
 H    6.012  -0.638   0.152
 H    3.400  -0.161   1.211
 H    4.140  -1.894  -0.509
 H    4.660  -2.868   0.854
 N    5.534  -1.602   3.183
 C    5.744  -2.017   4.600
 C    5.613  -0.791   5.503
 O    5.679  -0.881   6.713
 C    7.141  -2.618   4.756
 O    7.077  -4.021   4.533
 H    6.278  -1.601   2.546
 H    5.001  -2.751   4.876
 H    7.809  -2.175   4.035
 H    7.508  -2.417   5.754
 H    7.257  -4.183   3.605
 N    5.447   0.359   4.914
 C    5.331   1.605   5.687
 C    3.865   1.882   6.047
 O    3.534   2.097   7.196
 C    5.872   2.724   4.809
 C    5.933   4.010   5.614
 C    7.079   4.884   5.101
 C    7.805   5.524   6.286
 N    6.967   6.620   6.848
 H    5.418   0.410   3.948
 H    5.922   1.534   6.586
 H    6.863   2.459   4.463
 H    5.219   2.858   3.959
 H    4.997   4.536   5.509
 H    6.100   3.768   6.652
 H    7.773   4.273   4.540
 H    6.683   5.659   4.463
 H    7.980   4.778   7.047
 H    8.750   5.928   5.953
 H    6.523   7.150   6.070
 H    6.229   6.215   7.458
 H    7.563   7.261   7.409
 N    2.983   1.896   5.079
 C    1.547   2.180   5.391
 C    0.769   0.878   5.549
 O   -0.311   0.843   6.105
 C    0.926   3.021   4.273
 O   -0.489   2.921   4.339
 C    1.413   2.512   2.918
 H    3.264   1.733   4.155
 H    1.497   2.718   6.311
 H    1.220   4.053   4.392
 H   -0.820   3.690   4.807
 H    1.685   1.470   3.001
 H    0.624   2.621   2.189
 H    2.273   3.086   2.606
 N    1.322  -0.187   5.079
 C    0.640  -1.515   5.206
 C    1.692  -2.617   5.316
 O    2.871  -2.363   5.455
 C   -0.250  -1.822   3.982
 S   -0.453  -0.362   2.930
 H    2.195  -0.114   4.655
 H    0.032  -1.517   6.099
 H    0.205  -2.611   3.403
 H   -1.221  -2.153   4.325
 N    1.265  -3.842   5.243
 C    2.220  -4.982   5.321
 C    2.060  -5.856   4.080
 O    2.823  -6.770   3.838
 C    1.912  -5.815   6.559
 O    1.780  -4.960   7.686
 C    3.042  -6.817   6.799
 H    0.307  -4.015   5.129
 H    3.222  -4.608   5.368
 H    0.988  -6.350   6.398
 H    0.845  -4.786   7.818
 H    3.173  -7.430   5.919
 H    3.958  -6.283   7.005
 H    2.794  -7.445   7.641
 N    1.059  -5.578   3.308
 C    0.794  -6.372   2.078
 C    0.175  -5.459   1.011
 O   -0.221  -4.349   1.306
 C   -0.191  -7.501   2.416
 C   -1.080  -7.081   3.593
 C   -2.490  -7.645   3.399
 C   -3.381  -6.586   2.745
 N   -4.809  -7.005   2.848
 H    0.468  -4.846   3.546
 H    1.717  -6.793   1.708
 H   -0.813  -7.705   1.558
 H    0.358  -8.391   2.683
 H   -0.663  -7.464   4.514
 H   -1.129  -6.004   3.641
 H   -2.443  -8.518   2.765
 H   -2.904  -7.918   4.358
 H   -3.247  -5.641   3.250
 H   -3.111  -6.480   1.705
 H   -4.862  -8.042   2.923
 H   -5.238  -6.573   3.690
 H   -5.324  -6.692   2.001
 N    0.098  -5.962  -0.195
 C   -0.484  -5.224  -1.331
 C   -1.989  -5.165  -1.215
 O   -2.702  -6.071  -1.599
 C   -0.039  -6.028  -2.556
 C    0.294  -7.450  -2.047
 C    0.580  -7.319  -0.540
 H   -0.108  -4.215  -1.399
 H   -0.838  -6.068  -3.284
 H    0.841  -5.584  -2.993
 H   -0.549  -8.107  -2.212
 H    1.168  -7.830  -2.553
 H    0.037  -8.072   0.010
 H    1.639  -7.397  -0.347
 N   -2.462  -4.065  -0.708
 C   -3.914  -3.853  -0.588
 C   -4.494  -4.036  -1.994
 O   -3.871  -4.625  -2.852
 C   -4.156  -2.414  -0.108
 S   -3.840  -2.269   1.686
 H   -1.849  -3.361  -0.431
 H   -4.348  -4.564   0.100
 H   -3.496  -1.746  -0.640
 H   -5.174  -2.148  -0.323
 N   -5.647  -3.523  -2.278
 C   -6.166  -3.691  -3.660
 C   -5.550  -2.619  -4.568
 O   -6.086  -2.313  -5.614
 C   -7.689  -3.554  -3.670
 O   -8.204  -4.129  -4.864
 H   -6.155  -3.021  -1.608
 H   -5.892  -4.669  -4.028
 H   -8.104  -4.070  -2.821
 H   -7.955  -2.507  -3.618
 H   -9.163  -4.115  -4.811
 N   -4.443  -2.017  -4.182
 C   -3.867  -0.948  -5.067
 C   -2.336  -0.941  -5.057
 O   -1.721  -0.558  -6.032
 C   -4.345   0.411  -4.582
 S   -4.466   0.365  -2.788
 H   -4.013  -2.243  -3.314
 H   -4.214  -1.100  -6.077
 H   -3.639   1.172  -4.880
 H   -5.315   0.628  -5.005
 N   -1.704  -1.336  -3.985
 C   -0.241  -1.323  -3.965
 C    0.249  -2.275  -5.087
 O   -0.474  -2.478  -6.042
 C    0.215  -1.789  -2.595
 S   -0.883  -1.277  -1.236
 H   -2.178  -1.640  -3.201
 H    0.122  -0.319  -4.149
 H    0.297  -2.861  -2.604
 H    1.173  -1.373  -2.419
 N    1.437  -2.849  -4.981
 C    1.933  -3.762  -6.030
 C    1.165  -5.086  -5.998
 O    0.237  -5.259  -5.233
 C    3.405  -3.965  -5.671
 C    3.524  -3.629  -4.172
 C    2.387  -2.676  -3.854
 H    1.852  -3.301  -7.001
 H    3.693  -4.993  -5.851
 H    4.025  -3.296  -6.245
 H    3.409  -4.525  -3.577
 H    4.459  -3.151  -3.959
 H    1.953  -2.973  -2.920
 H    2.741  -1.658  -3.809
 N    1.544  -6.020  -6.827
 C    0.836  -7.330  -6.848
 C    1.728  -8.401  -6.219
 O    2.881  -8.103  -5.955
 C    0.515  -7.714  -8.296
 C    1.797  -7.695  -9.129
 C    1.468  -8.048 -10.581
 C    1.964  -9.462 -10.887
 N    1.062 -10.101 -11.886
 O    1.243  -9.501  -6.011
 H    2.293  -5.858  -7.436
 H   -0.083  -7.252  -6.286
 H    0.084  -8.705  -8.318
 H   -0.190  -7.007  -8.707
 H    2.239  -6.711  -9.089
 H    2.494  -8.420  -8.735
 H    0.398  -8.001 -10.729
 H    1.954  -7.347 -11.243
 H    2.967  -9.414 -11.286
 H    1.966 -10.046  -9.979
 H    0.180  -9.556 -11.957
 H    1.533 -10.123 -12.814
 H    0.844 -11.072 -11.585
 CD   0.666  -0.709   0.686
 CD  -2.256   0.792  -1.676
 CD  -2.870  -0.002   2.365
434
*
 N   -5.581   7.792   1.137
 C   -6.692   6.917   0.664
 C   -6.112   5.751  -0.137
 O   -5.458   5.946  -1.142
 C   -7.642   7.726  -0.218
 O   -7.999   8.926   0.455
 H   -4.901   7.938   0.362
 H   -5.965   8.709   1.438
 H   -5.100   7.340   1.940
 H   -7.232   6.522   1.519
 H   -7.154   7.971  -1.146
 H   -8.528   7.139  -0.423
 H   -7.267   9.542   0.372
 N   -6.367   4.570   0.354
 C   -5.893   3.330  -0.253
 C   -6.666   2.929  -1.493
 O   -7.838   3.203  -1.653
 C   -5.941   2.331   0.890
 C   -6.871   2.929   1.972
 C   -7.159   4.364   1.574
 H   -4.885   3.452  -0.535
 H   -6.332   1.386   0.539
 H   -4.958   2.203   1.284
 H   -7.782   2.382   2.039
 H   -6.358   2.938   2.926
 H   -8.213   4.496   1.374
 H   -6.832   5.034   2.347
 N   -5.948   2.340  -2.411
 C   -6.531   1.965  -3.715
 C   -7.546   0.827  -3.597
 O   -7.999   0.475  -2.526
 C   -5.398   1.605  -4.684
 S   -4.226   0.427  -3.945
 H   -4.992   2.192  -2.251
 H   -7.045   2.828  -4.110
 H   -5.820   1.164  -5.572
 H   -4.881   2.501  -4.958
 N   -7.939   0.300  -4.723
 C   -8.982  -0.778  -4.760
 C   -8.434  -2.144  -4.341
 O   -9.072  -3.159  -4.538
 C   -9.507  -0.892  -6.184
 C   -8.333  -0.867  -7.165
 C   -8.558  -1.908  -8.263
 O   -7.801  -2.851  -8.386
 N   -9.572  -1.777  -9.074
 H   -7.570   0.653  -5.563
 H   -9.797  -0.506  -4.108
 H  -10.045  -1.821  -6.289
 H  -10.163  -0.064  -6.388
 H   -8.255   0.116  -7.609
 H   -7.419  -1.096  -6.638
 H   -9.725  -2.440  -9.779
 H  -10.183  -1.017  -8.976
 N   -7.275  -2.191  -3.777
 C   -6.709  -3.511  -3.360
 C   -5.953  -3.362  -2.043
 O   -5.307  -4.278  -1.573
 C   -5.741  -3.996  -4.432
 C   -6.488  -4.874  -5.440
 C   -6.294  -6.349  -5.079
 C   -7.431  -6.807  -4.164
 N   -7.595  -8.284  -4.279
 H   -6.777  -1.366  -3.632
 H   -7.506  -4.226  -3.242
 H   -5.317  -3.141  -4.939
 H   -4.954  -4.568  -3.968
 H   -7.540  -4.632  -5.417
 H   -6.098  -4.694  -6.431
 H   -6.296  -6.944  -5.981
 H   -5.351  -6.472  -4.567
 H   -7.196  -6.550  -3.142
 H   -8.350  -6.319  -4.457
 H   -6.669  -8.745  -4.169
 H   -8.237  -8.621  -3.535
 H   -7.991  -8.516  -5.213
 N   -6.019  -2.210  -1.458
 C   -5.304  -1.960  -0.189
 C   -6.257  -2.137   0.986
 O   -5.850  -2.444   2.088
 C   -4.818  -0.523  -0.227
 S   -3.030  -0.509  -0.376
 H   -6.531  -1.491  -1.864
 H   -4.458  -2.632  -0.094
 H   -5.248  -0.027  -1.086
 H   -5.115  -0.002   0.663
 N   -7.523  -1.929   0.767
 C   -8.490  -2.071   1.890
 C   -8.306  -3.420   2.550
 O   -7.545  -3.564   3.487
 C   -9.924  -1.937   1.373
 O  -10.169  -0.587   1.009
 C  -10.907  -2.362   2.465
 H   -7.834  -1.669  -0.132
 H   -8.290  -1.318   2.612
 H  -10.056  -2.571   0.510
 H  -10.210  -0.541   0.052
 H  -10.455  -2.212   3.435
 H  -11.806  -1.768   2.391
 H  -11.154  -3.406   2.341
 N   -8.965  -4.417   2.063
 C   -8.787  -5.755   2.658
 C   -7.631  -6.423   1.927
 O   -7.593  -7.627   1.772
 C  -10.064  -6.576   2.470
 O  -10.229  -6.876   1.090
 H   -9.559  -4.290   1.293
 H   -8.556  -5.664   3.709
 H   -9.991  -7.496   3.027
 H  -10.912  -6.008   2.829
 H  -11.054  -7.354   0.987
 N   -6.686  -5.644   1.448
 C   -5.557  -6.272   0.704
 C   -4.255  -5.473   0.838
 O   -3.341  -5.661   0.058
 H   -6.735  -4.657   1.564
 H   -5.395  -7.268   1.090
 H   -5.821  -6.340  -0.341
 N   -4.126  -4.599   1.801
 C   -2.835  -3.855   1.906
 C   -1.702  -4.874   1.899
 O   -1.409  -5.497   2.899
 C   -2.766  -3.043   3.198
 S   -1.334  -1.934   3.105
 H   -4.850  -4.446   2.443
 H   -2.730  -3.195   1.056
 H   -3.670  -2.462   3.312
 H   -2.653  -3.709   4.040
 N   -1.081  -5.073   0.773
 C    0.013  -6.086   0.704
 C    1.389  -5.439   0.911
 O    2.395  -6.120   0.928
 C   -0.026  -6.779  -0.660
 C   -0.318  -8.269  -0.465
 C   -1.829  -8.505  -0.509
 C   -2.115 -10.005  -0.413
 N   -2.634 -10.324   0.946
 H   -1.351  -4.575  -0.031
 H   -0.145  -6.826   1.475
 H   -0.803  -6.336  -1.266
 H    0.927  -6.662  -1.152
 H    0.158  -8.836  -1.252
 H    0.066  -8.589   0.492
 H   -2.297  -7.995   0.321
 H   -2.227  -8.124  -1.437
 H   -2.853 -10.279  -1.153
 H   -1.205 -10.558  -0.590
 H   -1.953 -10.000   1.662
 H   -3.543  -9.843   1.092
 H   -2.767 -11.353   1.034
 N    1.464  -4.142   1.057
 C    2.770  -3.502   1.244
 C    3.266  -3.707   2.675
 O    2.684  -3.218   3.623
 C    2.620  -2.016   0.969
 S    1.497  -1.748  -0.419
 H    0.673  -3.583   1.033
 H    3.478  -3.924   0.551
 H    2.239  -1.515   1.841
 H    3.567  -1.628   0.728
 N    4.354  -4.406   2.835
 C    4.907  -4.618   4.201
 C    5.724  -3.382   4.570
 O    5.898  -3.048   5.725
 C    5.807  -5.856   4.208
 H    4.817  -4.772   2.054
 H    4.099  -4.747   4.907
 H    6.183  -6.033   3.211
 H    6.635  -5.695   4.882
 H    5.238  -6.713   4.535
 N    6.213  -2.698   3.573
 C    7.012  -1.466   3.803
 C    6.941  -0.616   2.534
 O    6.255  -0.959   1.594
 C    8.468  -1.841   4.094
 O    8.567  -3.247   4.271
 C    8.937  -1.129   5.364
 H    6.042  -2.996   2.655
 H    6.602  -0.914   4.636
 H    9.091  -1.538   3.266
 H    8.417  -3.440   5.200
 H    8.823  -0.062   5.241
 H    8.342  -1.460   6.203
 H    9.976  -1.362   5.545
 N    7.637   0.482   2.487
 C    7.587   1.324   1.260
 C    8.242   0.564   0.104
 O    8.007   0.852  -1.054
 C    8.332   2.636   1.506
 C    7.457   3.565   2.350
 C    8.084   4.960   2.393
 C    7.992   5.607   1.010
 N    9.363   5.930   0.521
 H    8.191   0.751   3.249
 H    6.555   1.534   1.010
 H    9.255   2.433   2.030
 H    8.549   3.110   0.561
 H    6.471   3.625   1.912
 H    7.382   3.174   3.354
 H    7.554   5.569   3.112
 H    9.120   4.880   2.683
 H    7.516   4.924   0.323
 H    7.410   6.515   1.075
 H    9.968   6.185   1.327
 H    9.761   5.101   0.035
 H    9.316   6.731  -0.141
 N    9.054  -0.412   0.409
 C    9.713  -1.197  -0.672
 C    8.650  -2.004  -1.420
 O    8.640  -2.066  -2.633
 C   10.742  -2.151  -0.059
 C   12.122  -1.492  -0.078
 C   13.196  -2.547   0.199
 O   13.123  -3.179   1.241
 O   14.072  -2.704  -0.634
 H    9.223  -0.632   1.348
 H   10.207  -0.525  -1.359
 H   10.462  -2.375   0.960
 H   10.773  -3.064  -0.634
 H   12.295  -1.046  -1.047
 H   12.166  -0.727   0.683
 N    7.748  -2.612  -0.698
 C    6.672  -3.408  -1.354
 C    5.580  -2.449  -1.832
 O    4.825  -2.742  -2.736
 C    6.082  -4.401  -0.348
 C    7.154  -4.818   0.661
 C    8.428  -5.226  -0.082
 O    8.363  -6.164  -0.859
 O    9.448  -4.594   0.141
 H    7.774  -2.536   0.278
 H    7.080  -3.944  -2.199
 H    5.263  -3.933   0.175
 H    5.723  -5.274  -0.871
 H    7.369  -3.991   1.321
 H    6.795  -5.655   1.240
 N    5.503  -1.302  -1.215
 C    4.483  -0.282  -1.597
 C    4.712   0.186  -3.025
 O    3.814   0.633  -3.703
 C    4.660   0.924  -0.703
 S    3.229   2.014  -0.879
 H    6.126  -1.108  -0.486
 H    3.488  -0.679  -1.481
 H    4.763   0.596   0.307
 H    5.553   1.457  -0.996
 N    5.922   0.112  -3.465
 C    6.250   0.575  -4.847
 C    5.676  -0.408  -5.863
 O    5.761  -0.212  -7.059
 C    7.768   0.644  -5.012
 O    8.300   1.594  -4.099
 H    6.619  -0.239  -2.876
 H    5.823   1.554  -5.011
 H    8.197  -0.323  -4.808
 H    8.004   0.933  -6.028
 H    9.241   1.425  -4.010
 N    5.119  -1.478  -5.386
 C    4.563  -2.509  -6.281
 C    3.039  -2.368  -6.409
 O    2.484  -2.563  -7.472
 C    4.908  -3.855  -5.665
 C    5.098  -4.879  -6.774
 C    4.745  -6.272  -6.252
 C    3.723  -6.922  -7.187
 N    4.295  -8.177  -7.750
 H    5.090  -1.623  -4.428
 H    5.020  -2.431  -7.254
 H    5.824  -3.758  -5.094
 H    4.109  -4.166  -5.011
 H    4.455  -4.626  -7.603
 H    6.128  -4.865  -7.096
 H    5.638  -6.879  -6.214
 H    4.323  -6.189  -5.262
 H    2.824  -7.151  -6.634
 H    3.487  -6.241  -7.991
 H    5.230  -7.979  -8.159
 H    4.389  -8.884  -6.992
 H    3.666  -8.544  -8.491
 N    2.352  -2.051  -5.342
 C    0.865  -1.928  -5.433
 C    0.459  -0.463  -5.510
 O   -0.628  -0.121  -5.933
 C    0.219  -2.571  -4.204
 O    0.488  -1.773  -3.060
 C    0.792  -3.974  -3.994
 H    2.807  -1.908  -4.486
 H    0.531  -2.423  -6.315
 H   -0.847  -2.640  -4.352
 H    1.441  -1.675  -2.983
 H    1.230  -4.327  -4.916
 H    1.549  -3.942  -3.224
 H    0.001  -4.645  -3.692
 N    1.329   0.394  -5.108
 C    1.024   1.856  -5.148
 C    2.321   2.636  -5.337
 O    3.375   2.072  -5.555
 C    0.354   2.319  -3.840
 S   -0.220   0.898  -2.874
 H    2.188   0.072  -4.784
 H    0.364   2.059  -5.979
 H    1.067   2.880  -3.255
 H   -0.488   2.954  -4.077
 N    2.251   3.930  -5.238
 C    3.476   4.759  -5.394
 C    3.729   5.530  -4.104
 O    4.753   6.158  -3.925
 C    3.272   5.747  -6.537
 O    2.746   5.063  -7.666
 C    4.609   6.393  -6.903
 H    1.390   4.360  -5.052
 H    4.312   4.125  -5.600
 H    2.580   6.512  -6.220
 H    1.892   4.700  -7.420
 H    5.417   5.787  -6.522
 H    4.690   6.468  -7.978
 H    4.663   7.380  -6.468
 N    2.790   5.490  -3.214
 C    2.939   6.223  -1.924
 C    2.164   5.484  -0.820
 O    1.538   4.474  -1.076
 C    2.382   7.648  -2.077
 C    2.247   8.014  -3.560
 C    1.680   9.429  -3.686
 C    2.827  10.441  -3.666
 N    3.606  10.336  -4.932
 H    1.979   4.984  -3.401
 H    3.984   6.272  -1.658
 H    1.412   7.705  -1.605
 H    3.053   8.346  -1.599
 H    3.219   7.970  -4.031
 H    1.580   7.316  -4.044
 H    1.136   9.518  -4.615
 H    1.015   9.624  -2.859
 H    2.424  11.439  -3.571
 H    3.474  10.234  -2.827
 H    2.964  10.101  -5.715
 H    4.071  11.244  -5.129
 H    4.325   9.590  -4.835
 N    2.228   6.018   0.378
 C    1.542   5.444   1.552
 C    0.067   5.767   1.515
 O   -0.375   6.802   1.972
 C    2.227   6.119   2.742
 C    2.853   7.425   2.201
 C    2.988   7.251   0.676
 H    1.662   4.373   1.615
 H    1.499   6.341   3.511
 H    3.002   5.481   3.136
 H    2.206   8.262   2.425
 H    3.826   7.579   2.638
 H    2.554   8.100   0.169
 H    4.023   7.129   0.397
 N   -0.693   4.851   0.999
 C   -2.156   5.025   0.958
 C   -2.597   5.302   2.396
 O   -1.789   5.607   3.249
 C   -2.785   3.715   0.470
 S   -2.751   3.632  -1.349
 H   -0.295   4.026   0.664
 H   -2.426   5.845   0.309
 H   -2.226   2.884   0.874
 H   -3.800   3.661   0.824
 N   -3.842   5.170   2.713
 C   -4.230   5.416   4.126
 C   -3.948   4.158   4.958
 O   -4.585   3.930   5.967
 C   -5.717   5.766   4.210
 O   -5.969   6.510   5.399
 H   -4.507   4.896   2.046
 H   -3.647   6.237   4.516
 H   -5.995   6.362   3.357
 H   -6.299   4.855   4.213
 H   -5.129   6.686   5.830
 N   -3.017   3.318   4.549
 C   -2.766   2.081   5.359
 C   -1.324   1.580   5.220
 O   -0.817   0.924   6.107
 C   -3.700   0.977   4.886
 S   -3.930   1.139   3.107
 H   -2.510   3.486   3.716
 H   -2.969   2.290   6.398
 H   -3.265   0.014   5.110
 H   -4.654   1.069   5.384
 N   -0.656   1.856   4.131
 C    0.721   1.378   3.982
 C    1.576   2.017   5.116
 O    1.051   2.241   6.187
 C    1.203   1.778   2.601
 S   -0.087   1.672   1.321
 H   -1.050   2.372   3.414
 H    0.745   0.300   4.075
 H    1.589   2.783   2.640
 H    1.988   1.122   2.332
 N    2.857   2.300   4.901
 C    3.690   2.898   5.965
 C    3.359   4.382   6.150
 O    2.895   5.045   5.244
 C    5.119   2.718   5.452
 C    5.005   2.561   3.921
 C    3.596   2.074   3.635
 H    3.564   2.362   6.892
 H    5.714   3.589   5.698
 H    5.560   1.832   5.878
 H    5.153   3.516   3.436
 H    5.711   1.840   3.558
 H    3.193   2.663   2.834
 H    3.598   1.026   3.379
 N    3.597   4.906   7.323
 C    3.301   6.344   7.576
 C    4.176   7.213   6.669
 O    3.938   7.213   5.473
 C    3.598   6.672   9.041
 C    2.637   5.893   9.942
 C    2.328   6.716  11.194
 C    1.386   5.924  12.102
 N    0.007   6.477  11.989
 O    5.070   7.862   7.187
 H    3.972   4.352   8.039
 H    2.259   6.540   7.367
 H    4.616   6.392   9.273
 H    3.469   7.731   9.209
 H    1.721   5.695   9.405
 H    3.094   4.959  10.232
 H    3.246   6.927  11.723
 H    1.854   7.643  10.909
 H    1.384   4.887  11.800
 H    1.722   6.000  13.125
 H    0.021   7.325  11.388
 H   -0.619   5.764  11.564
 H   -0.344   6.727  12.936
 CD   1.075   0.715  -0.715
 CD  -2.018   0.124   1.829
 CD  -2.589   1.223  -2.145
434
*
 N   -6.323   6.677   1.366
 C   -7.353   5.744   0.824
 C   -6.682   4.711  -0.080
 O   -6.034   5.055  -1.048
 C   -8.389   6.531   0.021
 O   -7.751   7.142  -1.094
 H   -5.475   6.139   1.636
 H   -6.071   7.375   0.638
 H   -6.704   7.168   2.200
 H   -7.844   5.226   1.644
 H   -9.156   5.863  -0.333
 H   -8.836   7.287   0.653
 H   -8.400   7.688  -1.545
 N   -6.861   3.471   0.283
 C   -6.298   2.334  -0.441
 C   -6.965   2.039  -1.761
 O   -8.141   2.256  -1.977
 C   -6.343   1.198   0.562
 C   -7.343   1.616   1.667
 C   -7.645   3.090   1.467
 H   -5.286   2.535  -0.651
 H   -6.678   0.290   0.075
 H   -5.372   1.057   0.976
 H   -8.244   1.053   1.601
 H   -6.882   1.494   2.639
 H   -8.701   3.238   1.290
 H   -7.320   3.653   2.325
 N   -6.144   1.588  -2.664
 C   -6.584   1.302  -4.039
 C   -7.414   0.019  -4.108
 O   -7.935  -0.459  -3.120
 C   -5.340   1.209  -4.932
 S   -4.084   0.108  -4.205
 H   -5.198   1.473  -2.431
 H   -7.193   2.124  -4.384
 H   -5.621   0.829  -5.900
 H   -4.929   2.187  -5.054
 N   -7.575  -0.506  -5.288
 C   -8.416  -1.732  -5.470
 C   -7.621  -3.011  -5.206
 O   -7.993  -4.087  -5.631
 C   -8.939  -1.762  -6.897
 C   -7.786  -1.548  -7.882
 C   -8.262  -1.860  -9.302
 O   -7.955  -1.138 -10.230
 N   -9.005  -2.912  -9.512
 H   -7.166  -0.068  -6.064
 H   -9.254  -1.690  -4.791
 H   -9.397  -2.719  -7.083
 H   -9.665  -0.978  -7.022
 H   -7.456  -0.521  -7.832
 H   -6.967  -2.203  -7.627
 H   -9.319  -3.116 -10.418
 H   -9.251  -3.497  -8.766
 N   -6.540  -2.902  -4.513
 C   -5.711  -4.111  -4.214
 C   -5.128  -4.007  -2.804
 O   -4.287  -4.787  -2.404
 C   -4.562  -4.171  -5.208
 C   -5.051  -4.783  -6.522
 C   -4.561  -3.932  -7.695
 C   -3.157  -4.385  -8.099
 N   -2.161  -3.842  -7.132
 H   -6.270  -2.023  -4.193
 H   -6.314  -5.002  -4.298
 H   -4.198  -3.169  -5.386
 H   -3.770  -4.776  -4.799
 H   -4.663  -5.786  -6.618
 H   -6.130  -4.811  -6.527
 H   -5.234  -4.050  -8.532
 H   -4.531  -2.893  -7.400
 H   -3.112  -5.464  -8.093
 H   -2.931  -4.021  -9.090
 H   -2.380  -4.189  -6.176
 H   -1.207  -4.156  -7.404
 H   -2.200  -2.804  -7.138
 N   -5.546  -3.024  -2.073
 C   -5.017  -2.803  -0.708
 C   -6.056  -3.187   0.345
 O   -5.726  -3.454   1.484
 C   -4.757  -1.315  -0.585
 S   -2.992  -1.003  -0.595
 H   -6.195  -2.399  -2.435
 H   -4.090  -3.354  -0.559
 H   -5.210  -0.807  -1.423
 H   -5.189  -0.942   0.322
 N   -7.310  -3.177  -0.011
 C   -8.361  -3.498   0.994
 C   -8.007  -4.777   1.720
 O   -7.261  -4.765   2.679
 C   -9.719  -3.631   0.302
 O  -10.051  -2.398  -0.325
 C  -10.788  -3.983   1.336
 H   -7.561  -2.930  -0.926
 H   -8.395  -2.715   1.710
 H   -9.672  -4.411  -0.442
 H   -9.534  -1.703   0.089
 H  -10.422  -3.750   2.325
 H  -11.682  -3.411   1.139
 H  -11.014  -5.038   1.275
 N   -8.492  -5.885   1.271
 C   -8.123  -7.144   1.947
 C   -6.856  -7.650   1.275
 O   -6.619  -8.838   1.184
 C   -9.245  -8.170   1.790
 O   -9.928  -7.934   0.567
 H   -9.071  -5.893   0.482
 H   -7.934  -6.958   2.995
 H   -8.828  -9.164   1.777
 H   -9.931  -8.081   2.622
 H   -9.829  -8.715   0.017
 N   -6.041  -6.750   0.777
 C   -4.801  -7.206   0.090
 C   -3.628  -6.251   0.338
 O   -2.631  -6.313  -0.354
 H   -6.257  -5.781   0.843
 H   -4.538  -8.189   0.456
 H   -4.989  -7.265  -0.972
 N   -3.703  -5.379   1.311
 C   -2.541  -4.473   1.544
 C   -1.287  -5.331   1.635
 O   -1.079  -6.044   2.596
 C   -2.700  -3.693   2.847
 S   -1.410  -2.420   2.923
 H   -4.499  -5.330   1.880
 H   -2.448  -3.784   0.716
 H   -3.674  -3.228   2.876
 H   -2.593  -4.365   3.686
 N   -0.463  -5.297   0.632
 C    0.761  -6.154   0.667
 C    2.036  -5.323   0.885
 O    3.127  -5.861   0.894
 C    0.876  -6.924  -0.650
 C    0.911  -5.939  -1.820
 C    1.341  -6.673  -3.092
 C    2.805  -7.099  -2.968
 N    3.617  -6.394  -4.000
 H   -0.664  -4.733  -0.151
 H    0.666  -6.863   1.475
 H    1.781  -7.512  -0.646
 H    0.023  -7.577  -0.760
 H   -0.072  -5.515  -1.962
 H    1.617  -5.151  -1.606
 H    0.721  -7.548  -3.228
 H    1.229  -6.017  -3.942
 H    3.172  -6.844  -1.984
 H    2.883  -8.166  -3.115
 H    2.986  -5.890  -4.653
 H    4.250  -5.712  -3.537
 H    4.182  -7.089  -4.529
 N    1.935  -4.030   1.052
 C    3.145  -3.221   1.251
 C    3.661  -3.375   2.683
 O    3.002  -3.007   3.635
 C    2.795  -1.764   1.004
 S    1.626  -1.617  -0.363
 H    1.077  -3.582   1.037
 H    3.907  -3.531   0.555
 H    2.362  -1.334   1.889
 H    3.677  -1.247   0.761
 N    4.849  -3.889   2.840
 C    5.421  -4.034   4.206
 C    6.164  -2.741   4.536
 O    6.330  -2.371   5.682
 C    6.394  -5.213   4.235
 H    5.373  -4.159   2.057
 H    4.627  -4.192   4.921
 H    6.800  -5.369   3.246
 H    7.197  -5.001   4.925
 H    5.871  -6.103   4.552
 N    6.592  -2.048   3.519
 C    7.312  -0.761   3.714
 C    7.113   0.083   2.456
 O    6.462  -0.339   1.524
 C    8.806  -1.025   3.928
 O    9.469   0.205   4.184
 C    9.398  -1.675   2.676
 H    6.426  -2.373   2.609
 H    6.905  -0.242   4.570
 H    8.937  -1.687   4.769
 H    9.780   0.191   5.092
 H    8.761  -1.471   1.828
 H   10.382  -1.270   2.492
 H    9.469  -2.742   2.825
 N    7.656   1.265   2.411
 C    7.474   2.108   1.196
 C    8.112   1.415  -0.011
 O    7.814   1.730  -1.145
 C    8.136   3.469   1.415
 C    7.076   4.567   1.340
 C    7.235   5.341   0.030
 C    8.361   6.366   0.175
 N    9.179   6.384  -1.070
 H    8.177   1.600   3.170
 H    6.417   2.246   1.008
 H    8.607   3.487   2.388
 H    8.880   3.635   0.651
 H    6.093   4.119   1.378
 H    7.197   5.242   2.173
 H    7.474   4.652  -0.767
 H    6.313   5.853  -0.201
 H    7.937   7.345   0.341
 H    8.987   6.097   1.013
 H    8.553   6.312  -1.897
 H    9.716   7.272  -1.121
 H    9.839   5.579  -1.063
 N    8.980   0.468   0.221
 C    9.620  -0.244  -0.921
 C    8.544  -1.016  -1.685
 O    8.356  -0.831  -2.871
 C   10.678  -1.216  -0.396
 C   12.011  -0.940  -1.093
 C   13.070  -1.914  -0.575
 O   12.894  -2.420   0.521
 O   14.038  -2.137  -1.283
 H    9.205   0.221   1.142
 H   10.083   0.476  -1.581
 H   10.794  -1.082   0.670
 H   10.371  -2.230  -0.601
 H   11.893  -1.068  -2.159
 H   12.324   0.072  -0.884
 N    7.823  -1.870  -1.009
 C    6.746  -2.640  -1.691
 C    5.580  -1.695  -1.983
 O    4.795  -1.913  -2.884
 C    6.273  -3.776  -0.782
 C    7.485  -4.488  -0.180
 C    7.260  -6.001  -0.213
 O    6.165  -6.426   0.118
 O    8.188  -6.710  -0.567
 H    7.983  -1.995  -0.050
 H    7.123  -3.047  -2.617
 H    5.663  -3.370   0.011
 H    5.694  -4.481  -1.359
 H    8.368  -4.241  -0.750
 H    7.616  -4.170   0.843
 N    5.472  -0.640  -1.223
 C    4.375   0.340  -1.442
 C    4.582   1.038  -2.774
 O    3.654   1.443  -3.437
 C    4.424   1.402  -0.367
 S    2.879   2.340  -0.414
 H    6.119  -0.489  -0.507
 H    3.418  -0.159  -1.416
 H    4.553   0.934   0.588
 H    5.253   2.067  -0.556
 N    5.810   1.196  -3.151
 C    6.119   1.883  -4.436
 C    5.838   0.929  -5.595
 O    6.030   1.259  -6.748
 C    7.594   2.285  -4.457
 O    7.709   3.671  -4.156
 H    6.532   0.867  -2.577
 H    5.502   2.764  -4.535
 H    8.134   1.716  -3.719
 H    8.007   2.083  -5.436
 H    8.226   4.083  -4.852
 N    5.396  -0.259  -5.294
 C    5.116  -1.245  -6.359
 C    3.602  -1.425  -6.515
 O    3.107  -1.669  -7.598
 C    5.760  -2.568  -5.957
 C    5.241  -3.683  -6.858
 C    6.420  -4.400  -7.519
 C    6.960  -5.473  -6.572
 N    6.833  -6.811  -7.217
 H    5.260  -0.510  -4.361
 H    5.541  -0.905  -7.292
 H    6.833  -2.487  -6.055
 H    5.510  -2.788  -4.928
 H    4.675  -4.386  -6.266
 H    4.605  -3.259  -7.621
 H    6.091  -4.862  -8.438
 H    7.201  -3.686  -7.734
 H    8.000  -5.275  -6.357
 H    6.394  -5.462  -5.653
 H    5.844  -6.970  -7.495
 H    7.438  -6.848  -8.061
 H    7.128  -7.549  -6.544
 N    2.861  -1.308  -5.444
 C    1.380  -1.476  -5.544
 C    0.698  -0.112  -5.492
 O   -0.441   0.050  -5.881
 C    0.882  -2.350  -4.389
 O    1.122  -1.684  -3.157
 C    1.624  -3.687  -4.400
 H    3.276  -1.111  -4.579
 H    1.147  -1.943  -6.474
 H   -0.175  -2.529  -4.503
 H    2.036  -1.842  -2.907
 H    2.668  -3.518  -4.623
 H    1.535  -4.155  -3.430
 H    1.194  -4.331  -5.152
 N    1.404   0.863  -5.029
 C    0.844   2.247  -4.952
 C    1.981   3.255  -5.090
 O    3.121   2.901  -5.315
 C    0.148   2.498  -3.603
 S   -0.268   0.939  -2.787
 H    2.316   0.686  -4.748
 H    0.135   2.392  -5.754
 H    0.807   3.065  -2.963
 H   -0.756   3.066  -3.771
 N    1.675   4.510  -4.926
 C    2.725   5.560  -5.011
 C    2.832   6.260  -3.657
 O    3.724   7.045  -3.409
 C    2.336   6.577  -6.081
 O    2.119   5.903  -7.312
 C    3.454   7.607  -6.250
 H    0.748   4.762  -4.727
 H    3.664   5.108  -5.255
 H    1.431   7.078  -5.776
 H    1.279   6.200  -7.668
 H    4.391   7.098  -6.420
 H    3.233   8.243  -7.095
 H    3.528   8.209  -5.356
 N    1.914   5.970  -2.787
 C    1.914   6.594  -1.432
 C    1.210   5.652  -0.446
 O    0.594   4.685  -0.850
 C    1.157   7.934  -1.479
 C    0.244   7.981  -2.709
 C   -1.022   8.778  -2.382
 C   -1.973   7.913  -1.550
 N   -1.591   7.998  -0.111
 H    1.215   5.339  -3.031
 H    2.931   6.762  -1.111
 H    0.555   8.036  -0.588
 H    1.865   8.747  -1.528
 H    0.767   8.454  -3.527
 H   -0.030   6.976  -2.989
 H   -0.755   9.663  -1.823
 H   -1.511   9.066  -3.300
 H   -2.985   8.270  -1.675
 H   -1.909   6.887  -1.880
 H   -1.055   8.872   0.056
 H   -2.449   8.003   0.475
 H   -1.003   7.176   0.140
 N    1.303   5.977   0.820
 C    0.664   5.194   1.893
 C   -0.825   5.404   1.865
 O   -1.355   6.353   2.405
 C    1.293   5.739   3.177
 C    1.831   7.145   2.829
 C    2.048   7.161   1.303
 H    0.859   4.135   1.806
 H    0.546   5.804   3.957
 H    2.107   5.105   3.491
 H    1.107   7.897   3.113
 H    2.767   7.319   3.333
 H    1.648   8.069   0.876
 H    3.097   7.062   1.069
 N   -1.493   4.484   1.244
 C   -2.957   4.529   1.173
 C   -3.466   4.653   2.610
 O   -2.726   4.990   3.511
 C   -3.438   3.209   0.562
 S   -3.208   3.231  -1.249
 H   -1.015   3.737   0.837
 H   -3.287   5.366   0.575
 H   -2.866   2.394   0.985
 H   -4.476   3.074   0.804
 N   -4.695   4.360   2.868
 C   -5.157   4.458   4.275
 C   -4.786   3.173   5.022
 O   -5.419   2.822   5.998
 C   -6.672   4.655   4.315
 O   -7.307   3.388   4.435
 H   -5.300   4.059   2.159
 H   -4.674   5.299   4.752
 H   -6.935   5.265   5.163
 H   -6.994   5.146   3.406
 H   -8.243   3.508   4.258
 N   -3.786   2.440   4.574
 C   -3.459   1.170   5.304
 C   -1.979   0.798   5.206
 O   -1.481   0.051   6.024
 C   -4.269   0.036   4.699
 S   -4.373   0.297   2.920
 H   -3.279   2.704   3.758
 H   -3.731   1.277   6.343
 H   -3.783  -0.907   4.903
 H   -5.262   0.033   5.123
 N   -1.269   1.274   4.222
 C    0.149   0.914   4.105
 C    0.892   1.420   5.379
 O    0.318   1.369   6.447
 C    0.669   1.543   2.828
 S   -0.516   1.424   1.455
 H   -1.659   1.857   3.556
 H    0.243  -0.163   4.040
 H    0.915   2.578   3.009
 H    1.548   1.025   2.550
 N    2.133   1.886   5.288
 C    2.851   2.354   6.490
 C    2.305   3.706   6.958
 O    1.976   4.565   6.165
 C    4.305   2.471   6.025
 C    4.252   2.607   4.490
 C    2.932   2.006   4.045
 H    2.778   1.624   7.280
 H    4.765   3.346   6.464
 H    4.856   1.583   6.293
 H    4.280   3.649   4.206
 H    5.058   2.069   4.031
 H    2.474   2.681   3.348
 H    3.086   1.035   3.598
 N    2.204   3.891   8.245
 C    1.678   5.176   8.782
 C    2.834   5.993   9.364
 O    3.605   5.433  10.125
 C    0.651   4.879   9.879
 C    0.242   6.181  10.572
 C    0.308   5.997  12.091
 C   -1.107   6.040  12.675
 N   -1.155   5.239  13.932
 O    2.929   7.165   9.038
 H    2.473   3.179   8.863
 H    1.205   5.734   7.987
 H   -0.220   4.416   9.439
 H    1.086   4.207  10.605
 H    0.914   6.973  10.276
 H   -0.767   6.439  10.287
 H    0.764   5.044  12.318
 H    0.898   6.791  12.523
 H   -1.375   7.063  12.892
 H   -1.804   5.629  11.960
 H   -0.268   4.705  14.038
 H   -1.276   5.876  14.745
 H   -1.956   4.577  13.892
 CD   0.895   0.781  -0.548
 CD  -2.262  -0.382   1.722
 CD  -2.702   0.918  -2.201
434
*
 N    5.548   7.537   0.083
 C    6.688   6.668  -0.327
 C    6.413   5.221   0.088
 O    6.003   4.957   1.200
 C    7.970   7.157   0.348
 O    8.168   6.436   1.557
 H    4.650   7.068  -0.158
 H    5.589   7.701   1.109
 H    5.609   8.447  -0.414
 H    6.810   6.705  -1.406
 H    8.810   6.990  -0.306
 H    7.885   8.216   0.557
 H    8.363   7.069   2.252
 N    6.669   4.334  -0.836
 C    6.486   2.889  -0.653
 C    7.481   2.281   0.310
 O    8.678   2.477   0.236
 C    6.524   2.333  -2.068
 C    7.144   3.425  -2.968
 C    7.186   4.706  -2.163
 H    5.513   2.705  -0.262
 H    7.132   1.439  -2.095
 H    5.537   2.113  -2.391
 H    8.125   3.160  -3.274
 H    6.503   3.589  -3.826
 H    8.201   5.071  -2.088
 H    6.552   5.446  -2.616
 N    6.933   1.576   1.259
 C    7.739   0.956   2.325
 C    8.539  -0.240   1.801
 O    8.742  -0.401   0.614
 C    6.798   0.541   3.465
 S    5.356  -0.385   2.845
 H    5.957   1.486   1.286
 H    8.432   1.692   2.704
 H    7.337  -0.080   4.162
 H    6.466   1.420   3.973
 N    9.029  -1.051   2.696
 C    9.871  -2.225   2.290
 C    9.009  -3.425   1.904
 O    9.481  -4.542   1.817
 C   10.760  -2.619   3.458
 C    9.891  -3.057   4.638
 C    9.874  -4.585   4.721
 O   10.778  -5.240   4.242
 N    8.876  -5.184   5.312
 H    8.868  -0.866   3.647
 H   10.491  -1.947   1.452
 H   11.396  -3.435   3.157
 H   11.359  -1.774   3.747
 H   10.297  -2.650   5.554
 H    8.884  -2.694   4.499
 H    8.147  -4.655   5.700
 H    8.856  -6.162   5.369
 N    7.763  -3.205   1.671
 C    6.857  -4.326   1.284
 C    5.949  -3.866   0.147
 O    5.016  -4.542  -0.237
 C    5.995  -4.706   2.483
 C    6.451  -6.055   3.042
 C    5.331  -6.661   3.894
 C    5.369  -8.187   3.784
 N    4.786  -8.606   2.478
 H    7.419  -2.297   1.747
 H    7.440  -5.177   0.968
 H    6.093  -3.945   3.244
 H    4.965  -4.774   2.172
 H    6.685  -6.722   2.225
 H    7.329  -5.913   3.654
 H    5.468  -6.370   4.926
 H    4.376  -6.301   3.543
 H    6.392  -8.527   3.847
 H    4.796  -8.620   4.590
 H    4.051  -7.929   2.193
 H    5.535  -8.631   1.757
 H    4.364  -9.551   2.574
 N    6.204  -2.703  -0.367
 C    5.365  -2.148  -1.447
 C    6.118  -2.170  -2.772
 O    5.529  -2.254  -3.831
 C    5.081  -0.707  -1.082
 S    3.381  -0.549  -0.529
 H    6.940  -2.170  -0.020
 H    4.437  -2.698  -1.527
 H    5.743  -0.408  -0.282
 H    5.252  -0.078  -1.931
 N    7.414  -2.064  -2.728
 C    8.187  -2.046  -3.999
 C    7.746  -3.199  -4.874
 O    6.814  -3.079  -5.644
 C    9.685  -2.143  -3.702
 O   10.090  -1.004  -2.956
 C   10.468  -2.203  -5.014
 H    7.874  -1.975  -1.862
 H    7.974  -1.142  -4.514
 H    9.880  -3.036  -3.129
 H   10.733  -1.290  -2.303
 H   10.258  -1.319  -5.599
 H   11.525  -2.251  -4.800
 H   10.173  -3.081  -5.569
 N    8.367  -4.324  -4.753
 C    7.924  -5.471  -5.569
 C    6.857  -6.204  -4.769
 O    6.707  -7.405  -4.870
 C    9.103  -6.407  -5.838
 O    9.187  -7.367  -4.793
 H    9.101  -4.423  -4.112
 H    7.508  -5.121  -6.503
 H    8.955  -6.916  -6.776
 H   10.016  -5.829  -5.885
 H    8.693  -8.145  -5.063
 N    6.121  -5.491  -3.944
 C    5.088  -6.191  -3.127
 C    3.888  -5.289  -2.807
 O    3.197  -5.512  -1.832
 H    6.266  -4.510  -3.854
 H    4.739  -7.056  -3.670
 H    5.537  -6.516  -2.200
 N    3.599  -4.292  -3.602
 C    2.409  -3.449  -3.277
 C    1.187  -4.363  -3.224
 O    0.642  -4.749  -4.239
 C    2.194  -2.372  -4.340
 S    0.925  -1.214  -3.756
 H    4.139  -4.113  -4.400
 H    2.551  -2.985  -2.312
 H    3.120  -1.842  -4.510
 H    1.866  -2.833  -5.260
 N    0.774  -4.740  -2.049
 C   -0.392  -5.665  -1.930
 C   -1.701  -4.887  -1.751
 O   -2.767  -5.469  -1.733
 C   -0.178  -6.576  -0.718
 C   -1.002  -7.855  -0.878
 C   -0.824  -8.729   0.367
 C   -1.974  -9.733   0.460
 N   -2.634  -9.609   1.791
 H    1.247  -4.436  -1.244
 H   -0.456  -6.271  -2.820
 H    0.869  -6.830  -0.642
 H   -0.488  -6.060   0.178
 H   -2.045  -7.599  -0.995
 H   -0.663  -8.396  -1.747
 H    0.114  -9.261   0.300
 H   -0.821  -8.105   1.248
 H   -2.693  -9.530  -0.319
 H   -1.587 -10.734   0.342
 H   -2.572  -8.624   2.119
 H   -3.633  -9.883   1.711
 H   -2.156 -10.233   2.474
 N   -1.648  -3.591  -1.602
 C   -2.883  -2.824  -1.411
 C   -3.627  -2.663  -2.737
 O   -3.144  -2.040  -3.662
 C   -2.516  -1.447  -0.882
 S   -1.105  -1.538   0.246
 H   -0.804  -3.117  -1.600
 H   -3.515  -3.325  -0.696
 H   -2.273  -0.796  -1.702
 H   -3.347  -1.061  -0.363
 N   -4.814  -3.193  -2.824
 C   -5.608  -3.041  -4.074
 C   -6.506  -1.815  -3.904
 O   -6.910  -1.177  -4.856
 C   -6.467  -4.288  -4.296
 H   -5.193  -3.669  -2.057
 H   -4.944  -2.895  -4.914
 H   -5.838  -5.165  -4.279
 H   -7.206  -4.360  -3.511
 H   -6.963  -4.218  -5.252
 N   -6.796  -1.482  -2.677
 C   -7.644  -0.297  -2.378
 C   -7.225   0.237  -1.008
 O   -6.312  -0.277  -0.398
 C   -9.118  -0.709  -2.344
 O   -9.233  -2.012  -1.788
 C   -9.685  -0.708  -3.765
 H   -6.438  -2.016  -1.936
 H   -7.490   0.463  -3.131
 H   -9.674  -0.010  -1.739
 H  -10.163  -2.185  -1.628
 H   -8.969  -0.258  -4.437
 H   -9.881  -1.724  -4.075
 H  -10.604  -0.141  -3.785
 N   -7.872   1.251  -0.510
 C   -7.477   1.777   0.829
 C   -7.880   0.764   1.902
 O   -7.396   0.801   3.016
 C   -8.180   3.113   1.091
 C   -8.262   3.916  -0.208
 C   -7.873   5.370   0.065
 C   -8.637   6.291  -0.888
 N   -8.031   6.213  -2.247
 H   -8.611   1.661  -1.006
 H   -6.402   1.917   0.858
 H   -9.177   2.927   1.464
 H   -7.620   3.675   1.824
 H   -7.585   3.491  -0.936
 H   -9.271   3.881  -0.590
 H   -8.119   5.623   1.086
 H   -6.812   5.495  -0.092
 H   -9.671   5.982  -0.937
 H   -8.583   7.308  -0.528
 H   -7.111   5.733  -2.189
 H   -8.663   5.678  -2.878
 H   -7.896   7.172  -2.623
 N   -8.754  -0.149   1.574
 C   -9.173  -1.169   2.575
 C   -7.973  -2.059   2.905
 O   -7.769  -2.452   4.036
 C  -10.303  -2.024   1.996
 C  -11.655  -1.416   2.377
 C  -12.756  -2.040   1.517
 O  -12.853  -3.256   1.505
 O  -13.482  -1.291   0.884
 H   -9.127  -0.168   0.668
 H   -9.515  -0.675   3.473
 H  -10.213  -2.058   0.919
 H  -10.237  -3.026   2.394
 H  -11.857  -1.613   3.420
 H  -11.631  -0.350   2.209
 N   -7.173  -2.372   1.921
 C   -5.979  -3.227   2.169
 C   -4.776  -2.332   2.470
 O   -3.839  -2.734   3.129
 C   -5.688  -4.074   0.929
 C   -7.005  -4.534   0.300
 C   -6.724  -5.658  -0.699
 O   -5.560  -5.936  -0.935
 O   -7.677  -6.221  -1.210
 H   -7.356  -2.038   1.018
 H   -6.168  -3.874   3.014
 H   -5.134  -3.484   0.214
 H   -5.106  -4.938   1.212
 H   -7.667  -4.894   1.074
 H   -7.468  -3.705  -0.214
 N   -4.797  -1.118   1.988
 C   -3.663  -0.189   2.245
 C   -3.544   0.087   3.727
 O   -2.474   0.159   4.265
 C   -3.917   1.135   1.556
 S   -2.415   2.135   1.671
 H   -5.558  -0.818   1.455
 H   -2.746  -0.614   1.881
 H   -4.174   0.961   0.531
 H   -4.728   1.649   2.049
 N   -4.642   0.241   4.388
 C   -4.592   0.521   5.853
 C   -3.892  -0.640   6.552
 O   -3.546  -0.573   7.715
 C   -6.014   0.661   6.396
 O   -6.737   1.584   5.593
 H   -5.496   0.164   3.921
 H   -4.043   1.435   6.029
 H   -6.507  -0.296   6.367
 H   -5.974   1.012   7.419
 H   -6.112   2.216   5.231
 N   -3.713  -1.713   5.845
 C   -3.081  -2.910   6.413
 C   -1.552  -2.780   6.468
 O   -0.949  -3.005   7.498
 C   -3.479  -4.071   5.515
 C   -3.170  -5.387   6.216
 C   -3.565  -6.557   5.312
 C   -3.280  -7.878   6.031
 N   -1.841  -8.230   5.872
 H   -4.028  -1.748   4.929
 H   -3.458  -3.078   7.401
 H   -4.540  -4.004   5.305
 H   -2.928  -4.009   4.589
 H   -2.114  -5.434   6.432
 H   -3.731  -5.439   7.135
 H   -4.618  -6.493   5.079
 H   -2.991  -6.516   4.399
 H   -3.511  -7.773   7.081
 H   -3.892  -8.659   5.605
 H   -1.252  -7.463   6.253
 H   -1.641  -9.111   6.388
 H   -1.626  -8.361   4.863
 N   -0.911  -2.447   5.381
 C    0.581  -2.345   5.417
 C    1.020  -0.889   5.487
 O    2.147  -0.578   5.820
 C    1.173  -3.000   4.167
 O    2.554  -2.682   4.076
 C    0.446  -2.484   2.925
 H   -1.400  -2.284   4.547
 H    0.938  -2.851   6.286
 H    1.053  -4.070   4.230
 H    2.981  -3.360   3.547
 H   -0.218  -1.679   3.204
 H    1.169  -2.122   2.209
 H   -0.126  -3.287   2.484
 N    0.136  -0.003   5.187
 C    0.484   1.454   5.243
 C   -0.762   2.283   5.562
 O   -1.769   2.194   4.894
 C    1.076   1.948   3.909
 S    1.290   0.587   2.733
 H   -0.759  -0.299   4.942
 H    1.213   1.607   6.027
 H    0.412   2.681   3.480
 H    2.035   2.410   4.098
 N   -0.700   3.111   6.563
 C   -1.884   3.950   6.901
 C   -2.200   4.900   5.748
 O   -3.225   5.552   5.726
 C   -1.579   4.768   8.152
 O   -0.993   3.927   9.135
 C   -2.872   5.376   8.701
 H    0.124   3.189   7.086
 H   -2.727   3.318   7.076
 H   -0.892   5.559   7.897
 H   -0.091   4.222   9.278
 H   -3.535   5.613   7.882
 H   -3.351   4.667   9.359
 H   -2.641   6.277   9.249
 N   -1.320   4.990   4.803
 C   -1.547   5.911   3.649
 C   -0.991   5.299   2.351
 O   -0.256   4.333   2.384
 C   -0.840   7.245   3.921
 C    0.354   7.021   4.852
 C    1.433   6.228   4.114
 C    2.742   6.289   4.901
 N    2.682   5.330   6.040
 H   -0.505   4.463   4.863
 H   -2.606   6.086   3.535
 H   -0.490   7.663   2.989
 H   -1.533   7.931   4.386
 H    0.755   7.977   5.159
 H    0.035   6.467   5.722
 H    1.119   5.199   4.015
 H    1.585   6.654   3.134
 H    3.565   6.026   4.253
 H    2.888   7.290   5.280
 H    1.761   4.846   6.036
 H    3.443   4.629   5.944
 H    2.799   5.846   6.935
 N   -1.359   5.905   1.244
 C   -0.920   5.480  -0.104
 C    0.505   5.898  -0.362
 O    0.798   7.034  -0.679
 C   -1.888   6.201  -1.046
 C   -2.448   7.407  -0.258
 C   -2.254   7.085   1.235
 H   -0.994   4.412  -0.251
 H   -1.362   6.541  -1.928
 H   -2.695   5.542  -1.325
 H   -1.905   8.305  -0.521
 H   -3.498   7.533  -0.470
 H   -1.792   7.921   1.740
 H   -3.199   6.839   1.695
 N    1.384   4.952  -0.252
 C    2.803   5.208  -0.528
 C    2.878   5.789  -1.941
 O    1.903   6.279  -2.471
 C    3.553   3.874  -0.478
 S    3.809   3.355   1.249
 H    1.095   4.055  -0.011
 H    3.213   5.902   0.191
 H    2.977   3.121  -0.996
 H    4.501   3.992  -0.968
 N    3.995   5.721  -2.582
 C    4.050   6.263  -3.961
 C    3.501   5.220  -4.943
 O    3.774   5.285  -6.126
 C    5.495   6.603  -4.326
 O    6.160   5.426  -4.764
 H    4.781   5.309  -2.176
 H    3.447   7.157  -4.016
 H    5.507   7.332  -5.119
 H    5.997   7.012  -3.458
 H    6.696   5.654  -5.527
 N    2.748   4.238  -4.485
 C    2.245   3.215  -5.468
 C    0.835   2.719  -5.142
 O    0.142   2.234  -6.014
 C    3.171   2.011  -5.456
 S    3.724   1.733  -3.765
 H    2.540   4.160  -3.511
 H    2.248   3.646  -6.457
 H    2.641   1.141  -5.816
 H    4.025   2.204  -6.089
 N    0.400   2.797  -3.918
 C   -0.942   2.304  -3.596
 C   -1.977   3.130  -4.414
 O   -1.662   3.538  -5.513
 C   -1.131   2.443  -2.098
 S    0.376   2.058  -1.158
 H    0.947   3.168  -3.211
 H   -1.018   1.259  -3.871
 H   -1.458   3.445  -1.869
 H   -1.884   1.761  -1.805
 N   -3.183   3.360  -3.910
 C   -4.193   4.121  -4.672
 C   -3.864   5.615  -4.672
 O   -2.906   6.053  -4.067
 C   -5.496   3.847  -3.921
 C   -5.084   3.437  -2.492
 C   -3.662   2.920  -2.581
 H   -4.266   3.749  -5.680
 H   -6.106   4.740  -3.896
 H   -6.034   3.038  -4.390
 H   -5.104   4.297  -1.837
 H   -5.721   2.661  -2.117
 H   -3.091   3.369  -1.792
 H   -3.641   1.843  -2.508
 N   -4.652   6.398  -5.356
 C   -4.391   7.862  -5.410
 C   -5.581   8.614  -4.810
 O   -5.783   8.506  -3.612
 C   -4.201   8.282  -6.869
 C   -3.399   9.582  -6.930
 C   -1.923   9.259  -7.169
 C   -1.485   9.837  -8.516
 N   -0.781  11.132  -8.297
 O   -6.270   9.286  -5.560
 H   -5.415   6.020  -5.840
 H   -3.498   8.091  -4.848
 H   -3.669   7.505  -7.399
 H   -5.166   8.435  -7.328
 H   -3.769  10.196  -7.738
 H   -3.502  10.114  -5.996
 H   -1.327   9.692  -6.379
 H   -1.786   8.188  -7.178
 H   -0.818   9.143  -9.006
 H   -2.354  10.000  -9.137
 H   -0.831  11.386  -7.289
 H    0.214  11.039  -8.583
 H   -1.235  11.874  -8.866
 CD  -0.422   0.801   0.885
 CD   2.025   0.549  -2.331
 CD   3.501   0.846   1.570
434
*
 N   -6.893  -4.732  -2.086
 C   -7.774  -3.557  -1.825
 C   -7.071  -2.592  -0.866
 O   -6.562  -2.994   0.159
 C   -9.089  -4.029  -1.205
 O   -8.828  -5.110  -0.320
 H   -6.474  -5.056  -1.192
 H   -7.455  -5.500  -2.505
 H   -6.135  -4.459  -2.741
 H   -7.978  -3.039  -2.758
 H   -9.541  -3.220  -0.655
 H   -9.762  -4.347  -1.991
 H   -9.664  -5.536  -0.116
 N   -7.076  -1.343  -1.247
 C   -6.455  -0.256  -0.484
 C   -7.214   0.101   0.772
 O   -8.417   0.271   0.795
 C   -6.322   0.871  -1.495
 C   -7.254   0.528  -2.680
 C   -7.723  -0.898  -2.489
 H   -5.472  -0.547  -0.193
 H   -6.623   1.807  -1.043
 H   -5.316   0.934  -1.828
 H   -8.091   1.181  -2.712
 H   -6.692   0.574  -3.606
 H   -8.799  -0.933  -2.392
 H   -7.397  -1.501  -3.313
 N   -6.468   0.159   1.835
 C   -7.035   0.443   3.165
 C   -7.539   1.888   3.255
 O   -7.814   2.528   2.259
 C   -5.958   0.154   4.219
 S   -4.363   0.897   3.756
 H   -5.508  -0.021   1.751
 H   -7.868  -0.223   3.332
 H   -6.268   0.551   5.170
 H   -5.844  -0.904   4.311
 N   -7.711   2.379   4.449
 C   -8.259   3.762   4.639
 C   -7.190   4.839   4.439
 O   -7.386   5.986   4.786
 C   -8.821   3.871   6.055
 C   -7.703   4.210   7.050
 C   -8.265   4.206   8.472
 O   -8.122   5.171   9.197
 N   -8.901   3.154   8.906
 H   -7.517   1.818   5.230
 H   -9.059   3.924   3.933
 H   -9.567   4.645   6.077
 H   -9.265   2.928   6.328
 H   -6.914   3.475   6.971
 H   -7.306   5.189   6.825
 H   -9.264   3.141   9.816
 H   -9.015   2.375   8.322
 N   -6.072   4.489   3.905
 C   -4.999   5.512   3.709
 C   -4.291   5.290   2.377
 O   -3.323   5.950   2.053
 C   -3.982   5.386   4.836
 C   -4.529   6.057   6.097
 C   -3.589   7.184   6.527
 C   -4.407   8.327   7.132
 N   -5.130   9.049   6.047
 H   -5.933   3.559   3.644
 H   -5.435   6.497   3.725
 H   -3.799   4.339   5.031
 H   -3.063   5.865   4.541
 H   -5.509   6.463   5.891
 H   -4.601   5.329   6.890
 H   -2.892   6.810   7.263
 H   -3.046   7.548   5.668
 H   -5.121   7.926   7.835
 H   -3.747   9.013   7.641
 H   -4.499   9.168   5.230
 H   -5.966   8.498   5.762
 H   -5.429   9.983   6.391
 N   -4.756   4.355   1.618
 C   -4.124   4.051   0.320
 C   -4.881   4.739  -0.806
 O   -4.329   5.044  -1.845
 C   -4.222   2.555   0.118
 S   -2.607   1.812   0.354
 H   -5.520   3.831   1.909
 H   -3.084   4.356   0.323
 H   -4.912   2.144   0.841
 H   -4.581   2.346  -0.868
 N   -6.150   4.960  -0.623
 C   -6.942   5.598  -1.707
 C   -6.229   6.839  -2.197
 O   -5.412   6.778  -3.094
 C   -8.339   5.956  -1.196
 O   -9.056   4.763  -0.915
 C   -9.082   6.764  -2.262
 H   -6.582   4.686   0.219
 H   -7.015   4.918  -2.520
 H   -8.254   6.546  -0.296
 H   -9.952   5.006  -0.673
 H   -8.571   6.668  -3.208
 H  -10.091   6.391  -2.358
 H   -9.109   7.804  -1.971
 N   -6.493   7.957  -1.612
 C   -5.781   9.173  -2.049
 C   -4.511   9.271  -1.219
 O   -4.015  10.348  -0.952
 C   -6.654  10.405  -1.807
 O   -6.743  11.161  -3.008
 H   -7.136   7.994  -0.873
 H   -5.531   9.096  -3.097
 H   -7.642  10.097  -1.508
 H   -6.214  11.007  -1.023
 H   -6.619  10.560  -3.746
 N   -3.984   8.150  -0.780
 C   -2.754   8.225   0.060
 C   -1.860   6.985  -0.096
 O   -1.143   6.632   0.819
 H   -4.408   7.274  -0.988
 H   -2.189   9.100  -0.227
 H   -3.043   8.320   1.096
 N   -1.856   6.327  -1.226
 C   -0.952   5.144  -1.351
 C    0.480   5.623  -1.131
 O    1.074   6.246  -1.988
 C   -1.058   4.509  -2.737
 S   -0.138   2.945  -2.733
 H   -2.415   6.614  -1.978
 H   -1.207   4.414  -0.595
 H   -2.096   4.320  -2.970
 H   -0.636   5.175  -3.474
 N    1.027   5.369   0.021
 C    2.412   5.849   0.303
 C    3.453   4.758   0.025
 O    4.638   4.988   0.163
 C    2.505   6.269   1.772
 C    2.816   7.765   1.861
 C    1.804   8.549   1.023
 C    2.546   9.509   0.089
 N    1.568  10.186  -0.807
 H    0.517   4.886   0.709
 H    2.622   6.706  -0.320
 H    1.564   6.067   2.263
 H    3.292   5.711   2.256
 H    2.754   8.083   2.891
 H    3.811   7.950   1.485
 H    1.212   7.861   0.437
 H    1.158   9.115   1.677
 H    3.070  10.250   0.676
 H    3.256   8.954  -0.506
 H    0.605  10.045  -0.440
 H    1.780  11.205  -0.845
 H    1.634   9.782  -1.762
 N    3.047   3.572  -0.346
 C    4.027   2.512  -0.596
 C    4.649   2.663  -1.982
 O    3.987   2.527  -2.991
 C    3.315   1.172  -0.523
 S    2.037   1.201   0.750
 H    2.106   3.365  -0.443
 H    4.798   2.548   0.156
 H    2.867   0.943  -1.474
 H    4.026   0.436  -0.283
 N    5.928   2.899  -2.039
 C    6.605   3.008  -3.359
 C    7.004   1.596  -3.785
 O    7.216   1.310  -4.947
 C    7.853   3.885  -3.235
 H    6.448   2.971  -1.212
 H    5.926   3.432  -4.086
 H    8.081   4.041  -2.190
 H    8.686   3.394  -3.715
 H    7.673   4.837  -3.710
 N    7.091   0.710  -2.829
 C    7.455  -0.701  -3.115
 C    6.943  -1.563  -1.959
 O    6.270  -1.078  -1.071
 C    8.977  -0.829  -3.220
 O    9.542   0.449  -3.475
 C    9.332  -1.785  -4.359
 H    6.903   0.976  -1.906
 H    6.995  -1.018  -4.040
 H    9.370  -1.219  -2.294
 H    9.435   0.640  -4.410
 H    8.647  -2.620  -4.354
 H    9.257  -1.264  -5.302
 H   10.341  -2.146  -4.225
 N    7.250  -2.828  -1.950
 C    6.769  -3.691  -0.834
 C    7.370  -3.193   0.483
 O    6.713  -3.170   1.505
 C    7.204  -5.138  -1.082
 C    5.986  -5.989  -1.452
 C    6.417  -7.449  -1.617
 C    5.210  -8.300  -2.019
 N    4.511  -8.783  -0.794
 H    7.795  -3.209  -2.670
 H    5.689  -3.638  -0.776
 H    7.919  -5.164  -1.892
 H    7.659  -5.536  -0.188
 H    5.245  -5.917  -0.668
 H    5.566  -5.632  -2.380
 H    7.175  -7.514  -2.385
 H    6.818  -7.814  -0.684
 H    4.530  -7.706  -2.610
 H    5.545  -9.148  -2.599
 H    5.028  -8.464   0.050
 H    3.545  -8.400  -0.771
 H    4.472  -9.824  -0.805
 N    8.612  -2.789   0.467
 C    9.248  -2.289   1.719
 C    8.337  -1.242   2.364
 O    7.941  -1.366   3.506
 C   10.601  -1.656   1.388
 C   11.592  -2.749   0.981
 C   12.321  -2.328  -0.296
 O   12.906  -1.258  -0.295
 O   12.282  -3.084  -1.253
 H    9.125  -2.812  -0.368
 H    9.392  -3.112   2.404
 H   10.482  -0.956   0.572
 H   10.978  -1.136   2.256
 H   12.310  -2.896   1.775
 H   11.058  -3.670   0.802
 N    7.999  -0.213   1.638
 C    7.110   0.841   2.203
 C    5.717   0.253   2.435
 O    4.956   0.733   3.250
 C    7.027   2.004   1.218
 C    8.436   2.352   0.736
 C    8.715   3.838   0.975
 O    7.875   4.492   1.571
 O    9.765   4.297   0.557
 H    8.327  -0.134   0.718
 H    7.516   1.190   3.141
 H    6.419   1.715   0.374
 H    6.589   2.861   1.704
 H    9.155   1.758   1.281
 H    8.517   2.136  -0.319
 N    5.385  -0.785   1.718
 C    4.052  -1.427   1.883
 C    3.936  -2.044   3.264
 O    2.873  -2.125   3.833
 C    3.914  -2.539   0.870
 S    2.170  -2.994   0.737
 H    6.018  -1.146   1.064
 H    3.269  -0.707   1.737
 H    4.288  -2.203  -0.075
 H    4.486  -3.393   1.197
 N    5.026  -2.486   3.797
 C    4.994  -3.108   5.153
 C    4.715  -2.016   6.184
 O    4.532  -2.276   7.357
 C    6.343  -3.762   5.450
 O    6.373  -5.061   4.874
 H    5.868  -2.401   3.305
 H    4.211  -3.852   5.191
 H    7.135  -3.168   5.025
 H    6.482  -3.829   6.521
 H    5.822  -5.050   4.088
 N    4.706  -0.791   5.743
 C    4.472   0.350   6.650
 C    2.971   0.630   6.809
 O    2.465   0.706   7.911
 C    5.156   1.559   6.027
 C    5.601   2.518   7.125
 C    4.428   3.416   7.527
 C    4.959   4.693   8.181
 N    3.991   5.161   9.212
 H    4.879  -0.613   4.804
 H    4.909   0.146   7.612
 H    6.019   1.224   5.463
 H    4.467   2.057   5.364
 H    5.932   1.948   7.981
 H    6.412   3.126   6.759
 H    3.855   3.673   6.648
 H    3.797   2.891   8.228
 H    5.911   4.489   8.648
 H    5.083   5.458   7.429
 H    3.021   5.043   8.857
 H    4.113   4.602  10.081
 H    4.162   6.166   9.419
 N    2.257   0.812   5.728
 C    0.799   1.117   5.851
 C   -0.039  -0.139   5.639
 O   -1.216  -0.173   5.938
 C    0.407   2.178   4.821
 O   -1.010   2.255   4.736
 C    0.983   1.802   3.458
 H    2.680   0.768   4.846
 H    0.609   1.489   6.834
 H    0.803   3.136   5.122
 H   -1.270   3.160   4.920
 H    1.372   0.795   3.497
 H    0.206   1.858   2.710
 H    1.779   2.485   3.201
 N    0.558  -1.167   5.138
 C   -0.206  -2.436   4.917
 C    0.730  -3.637   5.041
 O    1.887  -3.513   5.389
 C   -0.854  -2.469   3.518
 S   -0.769  -0.846   2.721
 H    1.507  -1.106   4.919
 H   -0.981  -2.515   5.666
 H   -0.335  -3.189   2.904
 H   -1.889  -2.765   3.613
 N    0.228  -4.801   4.742
 C    1.069  -6.027   4.814
 C    1.116  -6.677   3.435
 O    1.876  -7.592   3.184
 C    0.455  -7.004   5.812
 O    0.168  -6.323   7.024
 C    1.432  -8.150   6.082
 H   -0.707  -4.868   4.459
 H    2.060  -5.763   5.117
 H   -0.457  -7.404   5.397
 H   -0.616  -5.787   6.884
 H    2.441  -7.765   6.106
 H    1.198  -8.605   7.033
 H    1.346  -8.888   5.298
 N    0.297  -6.205   2.548
 C    0.253  -6.770   1.173
 C   -0.083  -5.645   0.185
 O   -0.350  -4.530   0.587
 C   -0.826  -7.868   1.062
 C   -1.398  -8.256   2.439
 C   -2.922  -8.119   2.414
 C   -3.301  -6.672   2.091
 N   -4.733  -6.445   2.433
 H   -0.297  -5.476   2.793
 H    1.218  -7.188   0.926
 H   -1.630  -7.508   0.438
 H   -0.390  -8.743   0.602
 H   -1.136  -9.281   2.657
 H   -1.000  -7.620   3.207
 H   -3.331  -8.776   1.660
 H   -3.324  -8.386   3.380
 H   -2.682  -6.001   2.669
 H   -3.147  -6.486   1.039
 H   -5.126  -7.303   2.868
 H   -4.809  -5.653   3.101
 H   -5.264  -6.221   1.567
 N   -0.069  -5.978  -1.080
 C   -0.380  -5.027  -2.162
 C   -1.870  -4.826  -2.276
 O   -2.572  -5.587  -2.912
 C    0.186  -5.704  -3.411
 C    0.270  -7.214  -3.090
 C    0.259  -7.340  -1.554
 H    0.089  -4.064  -2.018
 H   -0.470  -5.535  -4.255
 H    1.172  -5.324  -3.623
 H   -0.581  -7.730  -3.514
 H    1.187  -7.626  -3.482
 H   -0.498  -8.046  -1.241
 H    1.230  -7.638  -1.191
 N   -2.341  -3.770  -1.683
 C   -3.772  -3.439  -1.773
 C   -4.103  -3.367  -3.268
 O   -3.374  -3.876  -4.094
 C   -3.997  -2.068  -1.122
 S   -4.017  -2.218   0.697
 H   -1.736  -3.177  -1.201
 H   -4.370  -4.195  -1.285
 H   -3.202  -1.399  -1.416
 H   -4.935  -1.675  -1.465
 N   -5.156  -2.728  -3.658
 C   -5.429  -2.659  -5.119
 C   -4.585  -1.544  -5.747
 O   -4.896  -1.067  -6.821
 C   -6.911  -2.376  -5.369
 O   -7.218  -2.654  -6.730
 H   -5.747  -2.288  -3.014
 H   -5.165  -3.603  -5.573
 H   -7.513  -3.005  -4.735
 H   -7.121  -1.338  -5.147
 H   -7.761  -1.936  -7.064
 N   -3.533  -1.096  -5.095
 C   -2.735   0.016  -5.715
 C   -1.235  -0.117  -5.447
 O   -0.431   0.340  -6.235
 C   -3.195   1.344  -5.137
 S   -3.650   1.089  -3.415
 H   -3.287  -1.462  -4.204
 H   -2.905   0.022  -6.780
 H   -2.391   2.063  -5.200
 H   -4.050   1.704  -5.689
 N   -0.831  -0.709  -4.357
 C    0.602  -0.827  -4.093
 C    1.228  -1.647  -5.254
 O    0.672  -1.655  -6.334
 C    0.776  -1.515  -2.753
 S   -0.513  -1.094  -1.537
 H   -1.457  -1.074  -3.717
 H    1.052   0.158  -4.057
 H    0.792  -2.580  -2.907
 H    1.712  -1.213  -2.358
 N    2.351  -2.317  -5.048
 C    2.979  -3.103  -6.134
 C    2.155  -4.355  -6.450
 O    1.412  -4.846  -5.626
 C    4.348  -3.477  -5.565
 C    4.205  -3.383  -4.033
 C    3.095  -2.384  -3.767
 H    3.103  -2.497  -7.017
 H    4.609  -4.486  -5.858
 H    5.098  -2.781  -5.904
 H    3.918  -4.343  -3.625
 H    5.112  -3.037  -3.582
 H    2.486  -2.763  -2.972
 H    3.503  -1.417  -3.514
 N    2.284  -4.876  -7.640
 C    1.511  -6.097  -8.008
 C    2.276  -7.340  -7.549
 O    2.755  -8.066  -8.405
 C    1.323  -6.148  -9.526
 C    0.163  -5.237  -9.930
 C    0.025  -5.231 -11.454
 C   -0.258  -6.651 -11.947
 N   -1.560  -7.120 -11.392
 O    2.369  -7.545  -6.350
 H    2.891  -4.466  -8.292
 H    0.544  -6.070  -7.526
 H    2.229  -5.815 -10.013
 H    1.104  -7.161  -9.828
 H   -0.752  -5.602  -9.486
 H    0.356  -4.233  -9.584
 H   -0.790  -4.581 -11.739
 H    0.942  -4.875 -11.897
 H   -0.305  -6.656 -13.026
 H    0.532  -7.311 -11.618
 H   -2.317  -6.473 -11.690
 H   -1.761  -8.078 -11.745
 H   -1.509  -7.136 -10.354
 CD   0.706  -0.936   0.675
 CD  -1.663   1.134  -1.873
 CD  -3.019  -0.171   1.854
434
*
 N    7.756   6.173  -0.481
 C    8.522   4.920  -0.223
 C    7.626   3.913   0.499
 O    7.097   4.192   1.556
 C    9.738   5.236   0.647
 O    9.908   6.646   0.722
 H    7.324   6.503   0.406
 H    8.398   6.904  -0.847
 H    7.011   5.987  -1.181
 H    8.849   4.490  -1.165
 H    9.583   4.845   1.639
 H   10.618   4.778   0.215
 H   10.469   6.837   1.476
 N    7.488   2.767  -0.109
 C    6.672   1.673   0.415
 C    7.332   0.928   1.564
 O    8.539   0.866   1.690
 C    6.390   0.817  -0.813
 C    7.429   1.212  -1.887
 C    8.141   2.458  -1.391
 H    5.755   2.066   0.764
 H    6.502  -0.227  -0.558
 H    5.401   1.009  -1.173
 H    8.134   0.429  -2.041
 H    6.918   1.457  -2.810
 H    9.194   2.259  -1.246
 H    7.999   3.265  -2.086
 N    6.511   0.416   2.444
 C    7.022  -0.273   3.652
 C    7.724  -1.591   3.310
 O    8.075  -1.856   2.177
 C    5.869  -0.500   4.643
 S    4.455  -1.337   3.863
 H    5.544   0.529   2.325
 H    7.746   0.376   4.123
 H    6.222  -1.108   5.460
 H    5.558   0.444   5.033
 N    7.971  -2.388   4.313
 C    8.707  -3.683   4.111
 C    7.787  -4.779   3.582
 O    8.139  -5.942   3.563
 C    9.283  -4.138   5.445
 C    8.229  -3.965   6.540
 C    8.118  -5.257   7.353
 O    9.094  -5.953   7.546
 N    6.958  -5.610   7.837
 H    7.700  -2.113   5.217
 H    9.515  -3.529   3.412
 H    9.562  -5.178   5.374
 H   10.148  -3.543   5.682
 H    8.518  -3.153   7.191
 H    7.273  -3.743   6.090
 H    6.876  -6.435   8.360
 H    6.170  -5.049   7.679
 N    6.625  -4.427   3.159
 C    5.681  -5.450   2.632
 C    5.063  -4.940   1.339
 O    4.153  -5.529   0.793
 C    4.571  -5.672   3.648
 C    5.049  -6.639   4.733
 C    3.954  -7.668   5.019
 C    4.258  -8.386   6.335
 N    3.143  -8.151   7.295
 H    6.368  -3.487   3.186
 H    6.204  -6.375   2.450
 H    4.308  -4.724   4.096
 H    3.710  -6.086   3.148
 H    5.942  -7.145   4.396
 H    5.266  -6.088   5.636
 H    3.000  -7.166   5.094
 H    3.919  -8.390   4.217
 H    4.359  -9.445   6.152
 H    5.178  -8.002   6.750
 H    2.242  -8.419   6.853
 H    3.296  -8.725   8.150
 H    3.114  -7.145   7.554
 N    5.529  -3.828   0.871
 C    4.968  -3.231  -0.349
 C    5.966  -3.318  -1.498
 O    5.621  -3.113  -2.645
 C    4.707  -1.779  -0.027
 S    2.958  -1.551   0.298
 H    6.233  -3.357   1.346
 H    4.043  -3.718  -0.614
 H    5.271  -1.505   0.854
 H    5.011  -1.161  -0.844
 N    7.204  -3.594  -1.208
 C    8.208  -3.657  -2.304
 C    7.737  -4.610  -3.382
 O    6.946  -4.254  -4.232
 C    9.565  -4.104  -1.754
 O   10.061  -3.116  -0.862
 C   10.548  -4.293  -2.910
 H    7.475  -3.739  -0.274
 H    8.292  -2.696  -2.738
 H    9.450  -5.039  -1.229
 H    9.378  -2.935  -0.212
 H   10.008  -4.303  -3.846
 H   11.259  -3.480  -2.914
 H   11.073  -5.228  -2.787
 N    8.185  -5.820  -3.355
 C    7.719  -6.774  -4.379
 C    6.465  -7.438  -3.833
 O    6.148  -8.561  -4.171
 C    8.797  -7.827  -4.642
 O    8.831  -8.747  -3.559
 H    8.809  -6.106  -2.655
 H    7.488  -6.247  -5.293
 H    8.570  -8.359  -5.551
 H    9.758  -7.340  -4.745
 H    8.574  -8.277  -2.762
 N    5.750  -6.757  -2.966
 C    4.526  -7.397  -2.396
 C    3.449  -6.365  -2.035
 O    2.895  -6.404  -0.954
 H    6.030  -5.842  -2.684
 H    4.121  -8.087  -3.122
 H    4.799  -7.944  -1.506
 N    3.112  -5.465  -2.921
 C    2.035  -4.484  -2.582
 C    0.725  -5.250  -2.429
 O    0.240  -5.863  -3.361
 C    1.884  -3.442  -3.691
 S    0.728  -2.158  -3.141
 H    3.540  -5.450  -3.802
 H    2.272  -3.993  -1.650
 H    2.845  -2.998  -3.905
 H    1.499  -3.916  -4.582
 N    0.158  -5.241  -1.258
 C   -1.109  -5.994  -1.044
 C   -2.327  -5.087  -1.253
 O   -3.440  -5.564  -1.353
 C   -1.132  -6.549   0.382
 C   -1.447  -8.047   0.346
 C   -1.437  -8.604   1.771
 C   -0.187  -9.465   1.974
 N   -0.531 -10.899   1.760
 H    0.575  -4.755  -0.515
 H   -1.154  -6.816  -1.743
 H   -0.168  -6.395   0.845
 H   -1.892  -6.038   0.955
 H   -2.422  -8.199  -0.094
 H   -0.702  -8.558  -0.244
 H   -1.430  -7.787   2.477
 H   -2.317  -9.209   1.928
 H    0.573  -9.168   1.267
 H    0.184  -9.330   2.980
 H   -1.382 -11.137   2.308
 H   -0.714 -11.066   0.751
 H    0.262 -11.496   2.073
 N   -2.154  -3.791  -1.291
 C   -3.313  -2.912  -1.457
 C   -3.687  -2.765  -2.931
 O   -2.914  -2.287  -3.738
 C   -2.965  -1.545  -0.886
 S   -1.891  -1.709   0.556
 H   -1.278  -3.388  -1.183
 H   -4.145  -3.322  -0.918
 H   -2.469  -0.955  -1.630
 H   -3.857  -1.070  -0.598
 N   -4.886  -3.145  -3.279
 C   -5.338  -2.999  -4.688
 C   -5.972  -1.616  -4.832
 O   -6.025  -1.046  -5.904
 C   -6.374  -4.077  -5.012
 H   -5.498  -3.505  -2.604
 H   -4.493  -3.086  -5.356
 H   -6.965  -4.284  -4.133
 H   -7.018  -3.729  -5.806
 H   -5.869  -4.979  -5.327
 N   -6.443  -1.073  -3.741
 C   -7.068   0.278  -3.773
 C   -6.869   0.941  -2.408
 O   -6.451   0.307  -1.459
 C   -8.565   0.142  -4.062
 O   -9.216  -0.399  -2.922
 C   -8.773  -0.786  -5.259
 H   -6.379  -1.558  -2.889
 H   -6.601   0.878  -4.540
 H   -8.978   1.113  -4.287
 H  -10.162  -0.304  -3.048
 H   -8.206  -0.420  -6.102
 H   -8.438  -1.780  -5.004
 H   -9.822  -0.814  -5.515
 N   -7.161   2.206  -2.295
 C   -6.982   2.890  -0.982
 C   -8.002   2.342   0.016
 O   -7.891   2.547   1.209
 C   -7.199   4.394  -1.155
 C   -8.603   4.641  -1.708
 C   -8.502   5.379  -3.043
 C   -9.481   6.553  -3.051
 N   -9.321   7.342  -1.797
 H   -7.497   2.704  -3.069
 H   -5.983   2.708  -0.613
 H   -7.095   4.885  -0.198
 H   -6.468   4.788  -1.844
 H   -9.102   3.694  -1.856
 H   -9.166   5.240  -1.008
 H   -7.494   5.749  -3.173
 H   -8.746   4.703  -3.848
 H   -9.278   7.185  -3.903
 H  -10.492   6.178  -3.114
 H   -8.422   7.090  -1.341
 H   -9.323   8.358  -2.025
 H  -10.107   7.129  -1.150
 N   -8.996   1.644  -0.462
 C  -10.021   1.083   0.461
 C   -9.407  -0.070   1.257
 O   -9.965  -0.531   2.233
 C  -11.212   0.565  -0.348
 C  -12.516   0.950   0.355
 C  -12.903  -0.145   1.350
 O  -12.378  -0.129   2.452
 O  -13.717  -0.980   0.994
 H   -9.067   1.489  -1.427
 H  -10.354   1.853   1.141
 H  -11.193   1.000  -1.337
 H  -11.153  -0.511  -0.427
 H  -12.380   1.884   0.880
 H  -13.301   1.060  -0.378
 N   -8.263  -0.539   0.844
 C   -7.607  -1.658   1.565
 C   -6.268  -1.159   2.132
 O   -5.763  -1.680   3.099
 C   -7.402  -2.814   0.570
 C   -5.957  -3.302   0.598
 C   -5.858  -4.667  -0.086
 O   -6.599  -4.893  -1.028
 O   -5.042  -5.465   0.346
 H   -7.831  -0.156   0.054
 H   -8.242  -1.986   2.375
 H   -8.059  -3.628   0.828
 H   -7.639  -2.467  -0.427
 H   -5.341  -2.584   0.081
 H   -5.629  -3.385   1.621
 N   -5.704  -0.156   1.516
 C   -4.399   0.417   1.979
 C   -4.462   0.771   3.454
 O   -3.469   0.813   4.147
 C   -4.166   1.707   1.230
 S   -2.490   2.295   1.558
 H   -6.143   0.228   0.730
 H   -3.587  -0.271   1.789
 H   -4.309   1.536   0.187
 H   -4.876   2.448   1.568
 N   -5.629   1.052   3.920
 C   -5.809   1.440   5.355
 C   -5.618   0.224   6.261
 O   -5.876   0.270   7.448
 C   -7.222   1.973   5.546
 O   -7.197   3.395   5.577
 H   -6.396   1.021   3.312
 H   -5.095   2.207   5.617
 H   -7.840   1.644   4.728
 H   -7.622   1.586   6.474
 H   -6.306   3.673   5.798
 N   -5.199  -0.867   5.703
 C   -5.018  -2.101   6.486
 C   -3.527  -2.457   6.586
 O   -3.069  -2.940   7.602
 C   -5.776  -3.208   5.758
 C   -5.310  -4.572   6.258
 C   -5.979  -5.675   5.435
 C   -7.292  -6.088   6.104
 N   -8.084  -6.930   5.163
 H   -5.029  -0.885   4.758
 H   -5.427  -1.969   7.473
 H   -6.835  -3.092   5.940
 H   -5.586  -3.127   4.696
 H   -4.237  -4.641   6.151
 H   -5.579  -4.683   7.296
 H   -6.180  -5.308   4.439
 H   -5.321  -6.530   5.378
 H   -7.077  -6.654   6.998
 H   -7.858  -5.206   6.363
 H   -8.159  -6.448   4.245
 H   -7.610  -7.846   5.033
 H   -9.036  -7.084   5.554
 N   -2.765  -2.232   5.546
 C   -1.310  -2.574   5.610
 C   -0.486  -1.304   5.764
 O    0.644  -1.326   6.211
 C   -0.875  -3.327   4.346
 O    0.425  -2.897   3.967
 C   -1.856  -3.051   3.206
 H   -3.147  -1.846   4.730
 H   -1.144  -3.188   6.465
 H   -0.856  -4.387   4.548
 H    0.755  -3.500   3.297
 H   -1.984  -1.984   3.092
 H   -1.467  -3.467   2.289
 H   -2.808  -3.506   3.433
 N   -1.058  -0.202   5.422
 C   -0.335   1.100   5.569
 C   -1.347   2.186   5.936
 O   -2.528   1.930   6.060
 C    0.376   1.510   4.264
 S    0.580   0.093   3.152
 H   -1.977  -0.231   5.089
 H    0.394   1.013   6.361
 H   -0.209   2.266   3.766
 H    1.348   1.917   4.505
 N   -0.893   3.397   6.104
 C   -1.828   4.504   6.452
 C   -1.962   5.445   5.260
 O   -2.787   6.337   5.239
 C   -1.272   5.282   7.643
 O   -1.056   4.395   8.732
 C   -2.261   6.373   8.055
 H    0.063   3.581   5.993
 H   -2.788   4.098   6.694
 H   -0.336   5.739   7.357
 H   -1.658   3.654   8.635
 H   -3.224   5.929   8.260
 H   -1.899   6.872   8.942
 H   -2.359   7.091   7.254
 N   -1.141   5.251   4.279
 C   -1.179   6.125   3.072
 C   -0.646   5.346   1.862
 O   -0.128   4.257   2.010
 C   -0.292   7.346   3.330
 C   -1.157   8.522   3.788
 C   -0.727   9.791   3.051
 C   -1.917  10.745   2.946
 N   -2.412  11.074   4.312
 H   -0.489   4.532   4.342
 H   -2.193   6.444   2.884
 H    0.427   7.109   4.101
 H    0.231   7.614   2.427
 H   -2.194   8.312   3.572
 H   -1.032   8.667   4.851
 H    0.073  10.271   3.597
 H   -0.384   9.534   2.061
 H   -1.609  11.651   2.446
 H   -2.707  10.273   2.381
 H   -2.112  10.331   4.977
 H   -2.020  11.988   4.613
 H   -3.450  11.131   4.301
 N   -0.775   5.938   0.699
 C   -0.298   5.333  -0.560
 C    1.206   5.377  -0.621
 O    1.810   6.361  -0.998
 C   -0.946   6.193  -1.649
 C   -1.303   7.541  -0.984
 C   -1.398   7.270   0.529
 H   -0.612   4.304  -0.668
 H   -0.248   6.348  -2.461
 H   -1.843   5.718  -2.014
 H   -0.529   8.269  -1.186
 H   -2.253   7.896  -1.351
 H   -0.853   8.023   1.076
 H   -2.429   7.243   0.845
 N    1.796   4.277  -0.265
 C    3.261   4.148  -0.312
 C    3.695   4.524  -1.728
 O    2.955   5.135  -2.471
 C    3.615   2.681  -0.035
 S    3.652   2.366   1.759
 H    1.256   3.516   0.018
 H    3.725   4.795   0.415
 H    2.870   2.045  -0.491
 H    4.573   2.465  -0.466
 N    4.858   4.148  -2.145
 C    5.250   4.492  -3.532
 C    4.659   3.454  -4.492
 O    5.162   3.264  -5.582
 C    6.772   4.493  -3.656
 O    7.215   3.189  -4.008
 H    5.456   3.631  -1.569
 H    4.867   5.471  -3.783
 H    7.072   5.189  -4.423
 H    7.208   4.793  -2.712
 H    8.052   3.275  -4.471
 N    3.608   2.757  -4.107
 C    3.054   1.729  -5.046
 C    1.545   1.553  -4.879
 O    0.869   1.157  -5.807
 C    3.722   0.388  -4.773
 S    4.025   0.243  -3.002
 H    3.205   2.891  -3.208
 H    3.266   2.025  -6.062
 H    3.075  -0.413  -5.099
 H    4.660   0.335  -5.306
 N    0.997   1.820  -3.724
 C   -0.444   1.645  -3.554
 C   -1.163   2.608  -4.544
 O   -0.620   2.875  -5.596
 C   -0.786   1.944  -2.104
 S    0.486   1.392  -0.924
 H    1.521   2.131  -2.972
 H   -0.712   0.623  -3.788
 H   -0.943   3.003  -1.991
 H   -1.687   1.439  -1.877
 N   -2.351   3.109  -4.230
 C   -3.063   4.013  -5.157
 C   -2.427   5.405  -5.152
 O   -1.826   5.822  -4.182
 C   -4.485   4.062  -4.596
 C   -4.369   3.665  -3.110
 C   -3.092   2.859  -2.972
 H   -3.076   3.603  -6.155
 H   -4.885   5.063  -4.688
 H   -5.116   3.357  -5.113
 H   -4.296   4.549  -2.492
 H   -5.202   3.062  -2.810
 H   -2.553   3.228  -2.121
 H   -3.311   1.808  -2.863
 N   -2.557   6.128  -6.231
 C   -1.965   7.494  -6.291
 C   -2.896   8.481  -5.585
 O   -3.869   8.888  -6.197
 C   -1.794   7.911  -7.753
 C   -0.459   7.383  -8.283
 C   -0.624   6.952  -9.742
 C   -1.600   5.777  -9.820
 N   -1.371   5.024 -11.086
 O   -2.620   8.813  -4.444
 H   -3.047   5.774  -7.002
 H   -1.002   7.492  -5.802
 H   -2.603   7.502  -8.341
 H   -1.806   8.989  -7.825
 H    0.287   8.162  -8.219
 H   -0.146   6.536  -7.692
 H   -1.008   7.779 -10.320
 H    0.333   6.649 -10.139
 H   -1.442   5.120  -8.977
 H   -2.613   6.149  -9.801
 H   -0.559   5.432 -11.591
 H   -1.176   4.027 -10.867
 H   -2.221   5.088 -11.684
 CD  -0.794   0.497   1.076
 CD   1.971  -0.475  -1.734
 CD   2.937  -0.013   2.289
434
*
 N   -8.077   5.076   1.750
 C   -8.747   3.811   1.335
 C   -7.797   2.996   0.457
 O   -7.264   3.494  -0.515
 C  -10.020   4.146   0.557
 O  -11.075   3.300   0.993
 H   -7.210   4.851   2.279
 H   -7.835   5.634   0.906
 H   -8.719   5.627   2.353
 H   -9.001   3.226   2.214
 H  -10.293   5.173   0.736
 H   -9.843   4.002  -0.501
 H  -11.750   3.296   0.312
 N   -7.611   1.762   0.847
 C   -6.733   0.823   0.153
 C   -7.325   0.309  -1.144
 O   -8.522   0.181  -1.313
 C   -6.436  -0.242   1.202
 C   -7.519  -0.105   2.295
 C   -8.273   1.186   2.027
 H   -5.829   1.311  -0.084
 H   -6.477  -1.225   0.752
 H   -5.469  -0.071   1.626
 H   -8.191  -0.930   2.272
 H   -7.043  -0.024   3.266
 H   -9.313   0.979   1.818
 H   -8.179   1.847   2.866
 N   -6.455   0.094  -2.091
 C   -6.883  -0.325  -3.443
 C   -7.371  -1.774  -3.478
 O   -7.651  -2.388  -2.467
 C   -5.721  -0.113  -4.424
 S   -4.205  -0.941  -3.854
 H   -5.504   0.265  -1.916
 H   -7.700   0.311  -3.749
 H   -5.995  -0.512  -5.386
 H   -5.542   0.936  -4.527
 N   -7.520  -2.289  -4.665
 C   -8.049  -3.680  -4.854
 C   -6.971  -4.736  -4.612
 O   -7.157  -5.901  -4.900
 C   -8.543  -3.815  -6.288
 C   -7.361  -3.672  -7.249
 C   -7.875  -3.470  -8.676
 O   -8.061  -2.352  -9.114
 N   -8.109  -4.511  -9.426
 H   -7.314  -1.735  -5.450
 H   -8.874  -3.846  -4.179
 H   -8.999  -4.783  -6.416
 H   -9.264  -3.041  -6.490
 H   -6.762  -2.822  -6.959
 H   -6.757  -4.567  -7.210
 H   -8.438  -4.392 -10.342
 H   -7.955  -5.412  -9.074
 N   -5.858  -4.346  -4.093
 C   -4.769  -5.333  -3.837
 C   -4.236  -5.140  -2.422
 O   -3.261  -5.743  -2.019
 C   -3.636  -5.094  -4.830
 C   -3.743  -6.089  -5.987
 C   -2.744  -5.708  -7.082
 C   -3.495  -5.438  -8.387
 N   -2.552  -4.886  -9.400
 H   -5.735  -3.403  -3.870
 H   -5.150  -6.335  -3.950
 H   -3.705  -4.085  -5.212
 H   -2.689  -5.224  -4.329
 H   -3.522  -7.083  -5.628
 H   -4.743  -6.065  -6.392
 H   -2.205  -4.819  -6.784
 H   -2.047  -6.518  -7.231
 H   -3.919  -6.361  -8.755
 H   -4.287  -4.726  -8.206
 H   -1.710  -5.494  -9.458
 H   -3.020  -4.852 -10.328
 H   -2.268  -3.925  -9.123
 N   -4.852  -4.272  -1.684
 C   -4.394  -3.975  -0.317
 C   -5.379  -4.529   0.708
 O   -5.072  -4.642   1.878
 C   -4.364  -2.465  -0.215
 S   -2.670  -1.896  -0.382
 H   -5.610  -3.779  -2.043
 H   -3.399  -4.376  -0.152
 H   -4.956  -2.049  -1.017
 H   -4.774  -2.141   0.720
 N   -6.569  -4.850   0.289
 C   -7.573  -5.366   1.258
 C   -6.975  -6.494   2.070
 O   -6.278  -6.269   3.040
 C   -8.822  -5.848   0.513
 O   -9.454  -4.741  -0.117
 C   -9.791  -6.495   1.504
 H   -6.807  -4.735  -0.658
 H   -7.829  -4.585   1.926
 H   -8.539  -6.574  -0.233
 H   -9.580  -4.960  -1.044
 H   -9.764  -5.955   2.439
 H  -10.792  -6.467   1.100
 H   -9.500  -7.522   1.673
 N   -7.205  -7.703   1.680
 C   -6.606  -8.822   2.433
 C   -5.246  -9.093   1.814
 O   -4.752 -10.203   1.836
 C   -7.487 -10.066   2.314
 O   -8.822  -9.730   2.662
 H   -7.748  -7.873   0.883
 H   -6.489  -8.548   3.472
 H   -7.465 -10.429   1.300
 H   -7.113 -10.835   2.977
 H   -9.369  -9.835   1.881
 N   -4.638  -8.085   1.233
 C   -3.314  -8.328   0.595
 C   -2.421  -7.084   0.626
 O   -1.855  -6.707  -0.381
 H   -5.063  -7.184   1.205
 H   -2.815  -9.131   1.118
 H   -3.470  -8.622  -0.432
 N   -2.241  -6.457   1.759
 C   -1.328  -5.278   1.778
 C    0.095  -5.797   1.608
 O    0.641  -6.436   2.486
 C   -1.429  -4.515   3.096
 S   -0.439  -3.002   2.962
 H   -2.668  -6.774   2.582
 H   -1.573  -4.619   0.955
 H   -2.461  -4.260   3.291
 H   -1.048  -5.127   3.900
 N    0.685  -5.569   0.473
 C    2.061  -6.100   0.239
 C    3.143  -5.052   0.544
 O    4.319  -5.353   0.492
 C    2.186  -6.540  -1.220
 C    1.255  -7.727  -1.477
 C    1.967  -8.753  -2.362
 C    2.513  -8.060  -3.612
 N    1.377  -7.611  -4.467
 H    0.211  -5.078  -0.236
 H    2.216  -6.958   0.875
 H    1.913  -5.720  -1.869
 H    3.205  -6.835  -1.421
 H    0.988  -8.186  -0.536
 H    0.362  -7.383  -1.977
 H    2.783  -9.198  -1.810
 H    1.269  -9.522  -2.655
 H    3.104  -7.204  -3.321
 H    3.130  -8.751  -4.166
 H    0.496  -8.049  -4.132
 H    1.290  -6.577  -4.415
 H    1.553  -7.896  -5.453
 N    2.787  -3.831   0.838
 C    3.814  -2.819   1.108
 C    4.308  -2.915   2.552
 O    3.571  -2.685   3.490
 C    3.201  -1.447   0.889
 S    2.023  -1.481  -0.478
 H    1.857  -3.563   0.864
 H    4.643  -2.952   0.431
 H    2.697  -1.125   1.782
 H    3.975  -0.773   0.661
 N    5.564  -3.213   2.733
 C    6.124  -3.278   4.110
 C    6.752  -1.918   4.413
 O    6.893  -1.515   5.551
 C    7.191  -4.373   4.186
 H    6.146  -3.362   1.960
 H    5.333  -3.483   4.817
 H    7.380  -4.760   3.196
 H    8.102  -3.959   4.591
 H    6.842  -5.171   4.825
 N    7.114  -1.209   3.379
 C    7.719   0.140   3.541
 C    7.262   1.002   2.363
 O    6.809   0.492   1.358
 C    9.247   0.024   3.536
 O    9.819   1.312   3.350
 C    9.685  -0.900   2.399
 H    6.973  -1.565   2.478
 H    7.386   0.582   4.469
 H    9.580  -0.386   4.476
 H   10.759   1.249   3.534
 H    8.994  -0.807   1.573
 H   10.676  -0.625   2.072
 H    9.691  -1.922   2.749
 N    7.364   2.297   2.467
 C    6.919   3.160   1.335
 C    7.633   2.728   0.054
 O    7.171   2.987  -1.039
 C    7.253   4.620   1.641
 C    6.934   4.918   3.107
 C    6.037   6.154   3.193
 C    6.890   7.415   3.051
 N    7.382   7.833   4.394
 H    7.726   2.700   3.283
 H    5.851   3.052   1.200
 H    8.303   4.796   1.456
 H    6.662   5.265   1.008
 H    6.425   4.070   3.542
 H    7.851   5.104   3.644
 H    5.304   6.122   2.400
 H    5.534   6.168   4.148
 H    7.732   7.210   2.406
 H    6.293   8.207   2.623
 H    6.735   7.474   5.126
 H    8.334   7.444   4.551
 H    7.421   8.870   4.443
 N    8.751   2.066   0.176
 C    9.477   1.616  -1.043
 C    8.586   0.647  -1.822
 O    8.342   0.825  -2.998
 C   10.776   0.914  -0.640
 C   11.743   0.915  -1.828
 C   12.871  -0.087  -1.572
 O   12.569  -1.205  -1.189
 O   14.018   0.282  -1.765
 H    9.107   1.861   1.065
 H    9.706   2.471  -1.662
 H   11.225   1.438   0.192
 H   10.562  -0.104  -0.352
 H   11.209   0.636  -2.725
 H   12.162   1.903  -1.950
 N    8.086  -0.370  -1.173
 C    7.197  -1.337  -1.878
 C    5.852  -0.662  -2.138
 O    5.127  -1.019  -3.045
 C    6.989  -2.573  -1.003
 C    8.335  -3.019  -0.430
 C    8.559  -4.503  -0.729
 O    7.811  -5.048  -1.524
 O    9.475  -5.068  -0.157
 H    8.284  -0.491  -0.221
 H    7.646  -1.626  -2.816
 H    6.313  -2.332  -0.194
 H    6.569  -3.370  -1.598
 H    9.126  -2.437  -0.881
 H    8.340  -2.864   0.638
 N    5.521   0.317  -1.343
 C    4.232   1.037  -1.528
 C    4.249   1.791  -2.845
 O    3.245   1.964  -3.493
 C    4.065   2.060  -0.428
 S    2.360   2.658  -0.459
 H    6.125   0.583  -0.621
 H    3.409   0.339  -1.502
 H    4.289   1.607   0.515
 H    4.738   2.887  -0.600
 N    5.390   2.260  -3.225
 C    5.494   3.029  -4.497
 C    5.336   2.071  -5.674
 O    5.315   2.474  -6.821
 C    6.864   3.700  -4.576
 O    6.873   4.627  -5.655
 H    6.180   2.113  -2.666
 H    4.719   3.780  -4.532
 H    7.064   4.224  -3.657
 H    7.623   2.944  -4.731
 H    5.966   4.888  -5.831
 N    5.250   0.802  -5.397
 C    5.125  -0.193  -6.476
 C    3.684  -0.719  -6.567
 O    3.267  -1.213  -7.596
 C    6.076  -1.334  -6.145
 C    5.945  -2.417  -7.203
 C    7.336  -2.828  -7.691
 C    7.811  -4.053  -6.907
 N    8.729  -4.867  -7.755
 H    5.292   0.497  -4.474
 H    5.412   0.252  -7.416
 H    7.091  -0.959  -6.125
 H    5.824  -1.740  -5.176
 H    5.440  -3.269  -6.776
 H    5.372  -2.032  -8.031
 H    7.293  -3.067  -8.745
 H    8.028  -2.014  -7.535
 H    8.334  -3.730  -6.019
 H    6.958  -4.651  -6.625
 H    9.148  -4.266  -8.492
 H    9.486  -5.266  -7.161
 H    8.196  -5.639  -8.203
 N    2.919  -0.628  -5.507
 C    1.513  -1.140  -5.563
 C    0.522   0.014  -5.426
 O   -0.642  -0.098  -5.756
 C    1.289  -2.145  -4.431
 O    1.208  -1.450  -3.195
 C    2.455  -3.135  -4.386
 H    3.267  -0.233  -4.681
 H    1.356  -1.618  -6.504
 H    0.371  -2.684  -4.604
 H    1.704  -0.633  -3.283
 H    3.069  -3.008  -5.265
 H    3.048  -2.951  -3.502
 H    2.070  -4.144  -4.358
 N    0.990   1.115  -4.954
 C    0.112   2.314  -4.790
 C    0.960   3.574  -4.941
 O    2.114   3.522  -5.316
 C   -0.547   2.335  -3.399
 S   -0.555   0.682  -2.663
 H    1.929   1.158  -4.717
 H   -0.654   2.304  -5.552
 H    0.002   3.005  -2.756
 H   -1.564   2.689  -3.494
 N    0.395   4.706  -4.633
 C    1.158   5.981  -4.734
 C    1.239   6.628  -3.355
 O    1.944   7.595  -3.143
 C    0.439   6.926  -5.691
 O    0.182   6.253  -6.915
 C    1.309   8.157  -5.952
 H   -0.535   4.717  -4.324
 H    2.147   5.778  -5.090
 H   -0.493   7.235  -5.243
 H   -0.565   5.664  -6.780
 H    2.302   7.842  -6.235
 H    0.875   8.741  -6.750
 H    1.363   8.756  -5.055
 N    0.509   6.099  -2.427
 C    0.505   6.662  -1.047
 C    0.066   5.569  -0.060
 O   -0.233   4.463  -0.464
 C   -0.476   7.843  -0.974
 C   -0.848   8.317  -2.386
 C   -1.812   9.502  -2.292
 C   -1.234  10.693  -3.056
 N   -1.392  11.929  -2.241
 H   -0.048   5.332  -2.643
 H    1.499   7.001  -0.792
 H   -1.369   7.532  -0.454
 H   -0.014   8.657  -0.436
 H    0.046   8.621  -2.911
 H   -1.324   7.511  -2.923
 H   -2.765   9.225  -2.721
 H   -1.949   9.774  -1.256
 H   -0.185  10.522  -3.250
 H   -1.758  10.810  -3.993
 H   -2.245  11.846  -1.649
 H   -0.557  12.052  -1.634
 H   -1.485  12.750  -2.871
 N    0.030   5.916   1.205
 C   -0.378   4.989   2.279
 C   -1.874   4.799   2.281
 O   -2.622   5.566   2.853
 C    0.105   5.674   3.558
 C    0.258   7.175   3.219
 C    0.387   7.270   1.687
 H    0.090   4.019   2.184
 H   -0.623   5.539   4.346
 H    1.059   5.270   3.858
 H   -0.614   7.720   3.556
 H    1.147   7.571   3.685
 H   -0.302   8.008   1.304
 H    1.401   7.512   1.406
 N   -2.293   3.741   1.662
 C   -3.723   3.402   1.630
 C   -4.193   3.346   3.085
 O   -3.535   3.849   3.972
 C   -3.869   2.022   0.981
 S   -3.827   2.171  -0.835
 H   -1.648   3.147   1.237
 H   -4.279   4.144   1.078
 H   -3.054   1.391   1.305
 H   -4.797   1.585   1.294
 N   -5.288   2.721   3.372
 C   -5.701   2.656   4.797
 C   -4.987   1.482   5.471
 O   -5.472   0.933   6.440
 C   -7.214   2.469   4.901
 O   -7.864   3.460   4.115
 H   -5.819   2.285   2.674
 H   -5.418   3.574   5.291
 H   -7.485   1.491   4.540
 H   -7.516   2.562   5.936
 H   -8.058   4.209   4.683
 N   -3.845   1.068   4.965
 C   -3.151  -0.095   5.610
 C   -1.634  -0.002   5.453
 O   -0.897  -0.476   6.296
 C   -3.623  -1.388   4.960
 S   -3.968  -1.069   3.221
 H   -3.458   1.502   4.160
 H   -3.398  -0.119   6.660
 H   -2.849  -2.138   5.043
 H   -4.520  -1.737   5.449
 N   -1.143   0.588   4.395
 C    0.304   0.686   4.232
 C    0.845   1.507   5.432
 O    0.210   1.519   6.468
 C    0.586   1.371   2.906
 S   -0.609   0.961   1.592
 H   -1.715   0.972   3.718
 H    0.744  -0.304   4.234
 H    0.598   2.437   3.059
 H    1.546   1.062   2.585
 N    1.979   2.175   5.307
 C    2.522   2.964   6.432
 C    1.683   4.226   6.660
 O    0.872   4.600   5.837
 C    3.939   3.316   5.976
 C    3.923   3.208   4.438
 C    2.815   2.235   4.085
 H    2.562   2.367   7.328
 H    4.189   4.323   6.282
 H    4.648   2.613   6.383
 H    3.696   4.171   3.999
 H    4.856   2.835   4.068
 H    2.272   2.633   3.252
 H    3.218   1.261   3.854
 N    1.871   4.882   7.773
 C    1.085   6.118   8.057
 C    1.908   7.048   8.951
 O    1.554   8.211   9.048
 C   -0.214   5.744   8.775
 C    0.108   4.869   9.989
 C   -1.174   4.597  10.780
 C   -2.090   3.682   9.965
 N   -1.475   2.329   9.864
 O    2.878   6.580   9.524
 H    2.530   4.561   8.425
 H    0.853   6.621   7.130
 H   -0.717   6.644   9.102
 H   -0.855   5.198   8.100
 H    0.531   3.933   9.655
 H    0.817   5.381  10.622
 H   -0.925   4.117  11.716
 H   -1.682   5.529  10.977
 H   -3.050   3.606  10.454
 H   -2.222   4.093   8.975
 H   -0.701   2.248  10.555
 H   -2.194   1.605  10.061
 H   -1.099   2.189   8.905
 CD   0.771   0.701  -0.516
 CD  -1.850  -1.212   1.883
 CD  -2.873   0.083  -1.925
434
*
 N   -8.179   5.209   1.297
 C   -8.834   3.898   1.027
 C   -7.921   3.042   0.152
 O   -7.325   3.527  -0.790
 C  -10.166   4.127   0.314
 O  -11.150   3.269   0.875
 H   -7.223   5.208   0.884
 H   -8.741   5.972   0.870
 H   -8.114   5.362   2.323
 H   -9.008   3.377   1.962
 H  -10.473   5.150   0.442
 H  -10.049   3.917  -0.742
 H  -11.253   2.514   0.291
 N   -7.837   1.789   0.508
 C   -7.010   0.807  -0.188
 C   -7.624   0.332  -1.488
 O   -8.824   0.229  -1.647
 C   -6.776  -0.274   0.860
 C   -7.853  -0.078   1.953
 C   -8.569   1.229   1.654
 H   -6.082   1.244  -0.422
 H   -6.872  -1.253   0.410
 H   -5.802  -0.157   1.287
 H   -8.549  -0.883   1.953
 H   -7.371   0.013   2.920
 H   -9.603   1.043   1.394
 H   -8.502   1.886   2.499
 N   -6.765   0.121  -2.446
 C   -7.212  -0.265  -3.799
 C   -7.782  -1.682  -3.831
 O   -8.088  -2.272  -2.815
 C   -6.038  -0.117  -4.777
 S   -4.542  -0.957  -4.169
 H   -5.810   0.269  -2.277
 H   -7.992   0.418  -4.104
 H   -6.314  -0.544  -5.727
 H   -5.834   0.923  -4.916
 N   -7.970  -2.201  -5.011
 C   -8.576  -3.564  -5.162
 C   -7.518  -4.663  -5.015
 O   -7.703  -5.775  -5.468
 C   -9.236  -3.675  -6.541
 C   -9.717  -2.294  -6.996
 C  -11.095  -2.417  -7.648
 O  -12.063  -1.870  -7.157
 N  -11.226  -3.114  -8.743
 H   -7.738  -1.671  -5.807
 H   -9.331  -3.699  -4.401
 H   -8.520  -4.061  -7.252
 H  -10.081  -4.345  -6.481
 H   -9.780  -1.636  -6.141
 H   -9.018  -1.888  -7.712
 H  -12.105  -3.198  -9.167
 H  -10.446  -3.554  -9.141
 N   -6.422  -4.370  -4.385
 C   -5.359  -5.406  -4.206
 C   -4.664  -5.185  -2.866
 O   -3.613  -5.732  -2.593
 C   -4.333  -5.251  -5.315
 C   -4.536  -6.345  -6.364
 C   -3.179  -6.927  -6.763
 C   -2.354  -5.852  -7.474
 N   -1.026  -5.726  -6.809
 H   -6.293  -3.470  -4.025
 H   -5.794  -6.393  -4.240
 H   -4.454  -4.279  -5.771
 H   -3.344  -5.331  -4.893
 H   -5.158  -7.127  -5.952
 H   -5.015  -5.925  -7.235
 H   -2.656  -7.259  -5.878
 H   -3.328  -7.764  -7.429
 H   -2.215  -6.130  -8.508
 H   -2.875  -4.907  -7.422
 H   -0.698  -6.666  -6.509
 H   -0.342  -5.315  -7.475
 H   -1.112  -5.107  -5.979
 N   -5.232  -4.355  -2.052
 C   -4.627  -4.030  -0.745
 C   -5.447  -4.632   0.390
 O   -4.921  -4.988   1.425
 C   -4.645  -2.517  -0.626
 S   -2.967  -1.899  -0.739
 H   -6.054  -3.911  -2.314
 H   -3.604  -4.387  -0.704
 H   -5.228  -2.107  -1.439
 H   -5.087  -2.216   0.306
 N   -6.733  -4.729   0.219
 C   -7.571  -5.288   1.313
 C   -7.002  -6.619   1.762
 O   -6.253  -6.690   2.716
 C   -9.017  -5.454   0.836
 O   -9.503  -4.203   0.372
 C   -9.889  -5.941   1.994
 H   -7.147  -4.422  -0.618
 H   -7.537  -4.620   2.141
 H   -9.054  -6.175   0.034
 H   -9.542  -4.236  -0.587
 H   -9.304  -5.962   2.901
 H  -10.725  -5.269   2.120
 H  -10.254  -6.934   1.778
 N   -7.315  -7.671   1.082
 C   -6.746  -8.974   1.480
 C   -5.427  -9.143   0.739
 O   -4.978 -10.245   0.497
 C   -7.705 -10.101   1.091
 O   -8.112  -9.926  -0.260
 H   -7.901  -7.603   0.300
 H   -6.573  -8.989   2.546
 H   -7.206 -11.050   1.190
 H   -8.568 -10.080   1.744
 H   -9.071  -9.973  -0.290
 N   -4.803  -8.053   0.351
 C   -3.521  -8.197  -0.398
 C   -2.573  -7.013  -0.169
 O   -1.789  -6.684  -1.036
 H   -5.186  -7.155   0.542
 H   -3.031  -9.105  -0.080
 H   -3.740  -8.270  -1.454
 N   -2.595  -6.375   0.973
 C   -1.637  -5.247   1.165
 C   -0.224  -5.803   1.037
 O    0.263  -6.497   1.908
 C   -1.797  -4.603   2.540
 S   -0.814  -3.078   2.578
 H   -3.211  -6.642   1.687
 H   -1.799  -4.504   0.396
 H   -2.837  -4.370   2.714
 H   -1.443  -5.280   3.303
 N    0.429  -5.531  -0.052
 C    1.804  -6.078  -0.244
 C    2.868  -5.047   0.144
 O    4.047  -5.338   0.124
 C    1.992  -6.465  -1.711
 C    1.872  -7.982  -1.856
 C    1.756  -8.345  -3.337
 C    2.903  -9.279  -3.726
 N    4.207  -8.621  -3.426
 H    0.007  -4.988  -0.754
 H    1.924  -6.958   0.370
 H    1.234  -5.983  -2.311
 H    2.970  -6.150  -2.043
 H    2.749  -8.454  -1.436
 H    0.992  -8.325  -1.333
 H    0.812  -8.840  -3.513
 H    1.808  -7.446  -3.933
 H    2.826 -10.197  -3.163
 H    2.846  -9.498  -4.782
 H    4.040  -7.751  -2.882
 H    4.802  -9.269  -2.871
 H    4.689  -8.384  -4.315
 N    2.486  -3.843   0.472
 C    3.484  -2.831   0.821
 C    3.896  -2.950   2.286
 O    3.102  -2.744   3.183
 C    2.871  -1.461   0.605
 S    1.742  -1.472  -0.803
 H    1.552  -3.587   0.469
 H    4.347  -2.941   0.187
 H    2.333  -1.164   1.485
 H    3.648  -0.777   0.420
 N    5.141  -3.234   2.536
 C    5.612  -3.310   3.944
 C    5.952  -1.887   4.388
 O    5.977  -1.569   5.561
 C    6.857  -4.195   4.029
 H    5.773  -3.360   1.799
 H    4.829  -3.712   4.572
 H    7.343  -4.225   3.065
 H    7.538  -3.790   4.763
 H    6.569  -5.195   4.318
 N    6.197  -1.028   3.435
 C    6.522   0.390   3.743
 C    6.223   1.231   2.502
 O    5.658   0.750   1.540
 C    8.003   0.517   4.109
 O    8.609  -0.767   4.077
 C    8.132   1.110   5.513
 H    6.157  -1.318   2.500
 H    5.913   0.733   4.566
 H    8.496   1.166   3.402
 H    9.404  -0.706   3.542
 H    7.438   0.616   6.177
 H    9.140   0.966   5.873
 H    7.908   2.166   5.479
 N    6.592   2.479   2.509
 C    6.321   3.333   1.319
 C    7.184   2.859   0.146
 O    6.847   3.057  -1.005
 C    6.655   4.790   1.646
 C    8.156   4.922   1.911
 C    8.792   5.787   0.822
 C    9.699   6.836   1.467
 N   10.867   7.094   0.579
 H    7.045   2.853   3.292
 H    5.276   3.254   1.050
 H    6.378   5.420   0.812
 H    6.108   5.096   2.526
 H    8.313   5.382   2.875
 H    8.610   3.943   1.900
 H    9.376   5.162   0.162
 H    8.018   6.283   0.256
 H    9.145   7.752   1.610
 H   10.047   6.472   2.423
 H   10.968   6.311  -0.097
 H   10.718   7.982   0.059
 H   11.730   7.169   1.156
 N    8.295   2.233   0.428
 C    9.178   1.745  -0.670
 C    8.409   0.750  -1.541
 O    8.388   0.854  -2.752
 C   10.405   1.054  -0.070
 C   11.634   1.946  -0.253
 C   12.704   1.186  -1.039
 O   12.343   0.494  -1.976
 O   13.867   1.310  -0.690
 H    8.548   2.082   1.363
 H    9.496   2.582  -1.275
 H   10.240   0.879   0.984
 H   10.569   0.112  -0.571
 H   11.354   2.839  -0.794
 H   12.027   2.220   0.714
 N    7.776  -0.215  -0.933
 C    7.005  -1.220  -1.718
 C    5.659  -0.614  -2.116
 O    5.002  -1.071  -3.029
 C    6.776  -2.462  -0.859
 C    8.070  -2.820  -0.127
 C    8.662  -4.098  -0.725
 O    8.075  -5.148  -0.526
 O    9.693  -4.004  -1.370
 H    7.806  -0.279   0.044
 H    7.559  -1.489  -2.605
 H    6.002  -2.257  -0.137
 H    6.477  -3.288  -1.486
 H    8.778  -2.012  -0.232
 H    7.857  -2.978   0.920
 N    5.252   0.415  -1.427
 C    3.955   1.082  -1.740
 C    4.019   1.710  -3.117
 O    3.027   1.868  -3.793
 C    3.724   2.190  -0.739
 S    1.992   2.699  -0.811
 H    5.807   0.754  -0.693
 H    3.147   0.372  -1.696
 H    3.972   1.836   0.240
 H    4.356   3.031  -0.985
 N    5.186   2.076  -3.525
 C    5.347   2.709  -4.865
 C    5.181   1.646  -5.951
 O    5.340   1.911  -7.126
 C    6.742   3.318  -4.968
 O    6.630   4.723  -5.153
 H    5.962   1.934  -2.943
 H    4.603   3.480  -4.995
 H    7.289   3.120  -4.062
 H    7.264   2.874  -5.805
 H    6.398   4.884  -6.071
 N    4.888   0.438  -5.562
 C    4.739  -0.655  -6.543
 C    3.257  -0.954  -6.801
 O    2.856  -1.194  -7.923
 C    5.428  -1.887  -5.963
 C    5.066  -3.123  -6.782
 C    6.337  -3.727  -7.382
 C    6.255  -5.253  -7.322
 N    5.850  -5.781  -8.655
 H    4.790   0.241  -4.617
 H    5.215  -0.378  -7.467
 H    6.499  -1.737  -5.981
 H    5.105  -2.025  -4.941
 H    4.589  -3.849  -6.140
 H    4.391  -2.843  -7.576
 H    6.435  -3.411  -8.411
 H    7.195  -3.393  -6.819
 H    7.220  -5.656  -7.052
 H    5.524  -5.544  -6.582
 H    6.159  -5.120  -9.397
 H    6.292  -6.709  -8.810
 H    4.816  -5.883  -8.689
 N    2.437  -0.958  -5.784
 C    0.993  -1.261  -6.009
 C    0.152  -0.001  -5.841
 O   -0.993   0.058  -6.243
 C    0.530  -2.327  -5.016
 O   -0.860  -2.566  -5.191
 C    0.791  -1.841  -3.592
 H    2.769  -0.772  -4.881
 H    0.869  -1.622  -7.005
 H    1.078  -3.241  -5.186
 H   -1.340  -1.861  -4.749
 H    1.230  -0.854  -3.624
 H   -0.140  -1.804  -3.048
 H    1.469  -2.521  -3.098
 N    0.717   1.006  -5.265
 C   -0.042   2.284  -5.082
 C    0.926   3.464  -5.090
 O    2.102   3.321  -5.355
 C   -0.820   2.298  -3.751
 S   -0.853   0.654  -2.995
 H    1.645   0.925  -4.971
 H   -0.740   2.397  -5.899
 H   -0.347   2.990  -3.071
 H   -1.834   2.625  -3.937
 N    0.430   4.633  -4.796
 C    1.305   5.837  -4.773
 C    1.221   6.506  -3.404
 O    1.967   7.411  -3.089
 C    0.833   6.821  -5.839
 O    0.906   6.208  -7.119
 C    1.715   8.070  -5.814
 H   -0.523   4.718  -4.586
 H    2.316   5.547  -4.965
 H   -0.188   7.102  -5.630
 H    0.563   5.314  -7.041
 H    2.542   7.913  -5.137
 H    2.094   8.263  -6.806
 H    1.133   8.916  -5.480
 N    0.306   6.068  -2.599
 C    0.139   6.669  -1.246
 C   -0.266   5.582  -0.238
 O   -0.442   4.436  -0.603
 C   -0.956   7.737  -1.314
 C   -0.355   9.111  -1.010
 C   -0.230   9.913  -2.308
 C    1.164  10.539  -2.388
 N    1.224  11.472  -3.549
 H   -0.278   5.348  -2.891
 H    1.068   7.123  -0.935
 H   -1.388   7.745  -2.305
 H   -1.724   7.513  -0.590
 H   -0.997   9.640  -0.321
 H    0.623   8.988  -0.570
 H   -0.379   9.255  -3.153
 H   -0.975  10.694  -2.324
 H    1.366  11.084  -1.478
 H    1.902   9.761  -2.514
 H    0.647  11.096  -4.327
 H    0.857  12.404  -3.264
 H    2.209  11.569  -3.866
 N   -0.409   5.984   1.003
 C   -0.803   5.081   2.101
 C   -2.286   4.807   2.048
 O   -3.089   5.528   2.607
 C   -0.430   5.860   3.364
 C   -0.381   7.351   2.957
 C   -0.192   7.385   1.430
 H   -0.272   4.140   2.075
 H   -1.179   5.705   4.129
 H    0.539   5.550   3.720
 H   -1.308   7.838   3.229
 H    0.451   7.841   3.438
 H   -0.924   8.040   0.982
 H    0.807   7.702   1.178
 N   -2.644   3.738   1.406
 C   -4.063   3.353   1.343
 C   -4.546   3.266   2.792
 O   -3.879   3.722   3.698
 C   -4.165   1.979   0.673
 S   -4.117   2.161  -1.141
 H   -1.965   3.169   0.991
 H   -4.633   4.088   0.795
 H   -3.338   1.367   0.992
 H   -5.084   1.511   0.975
 N   -5.657   2.665   3.059
 C   -6.070   2.575   4.484
 C   -5.338   1.406   5.150
 O   -5.826   0.830   6.102
 C   -7.579   2.356   4.587
 O   -8.254   3.410   3.913
 H   -6.199   2.261   2.349
 H   -5.807   3.494   4.989
 H   -7.840   1.415   4.134
 H   -7.867   2.341   5.630
 H   -9.142   3.473   4.274
 N   -4.179   1.025   4.657
 C   -3.476  -0.133   5.294
 C   -1.958  -0.039   5.129
 O   -1.220  -0.532   5.960
 C   -3.954  -1.425   4.644
 S   -4.297  -1.105   2.902
 H   -3.788   1.477   3.867
 H   -3.717  -0.160   6.345
 H   -3.185  -2.180   4.730
 H   -4.854  -1.767   5.133
 N   -1.467   0.567   4.081
 C   -0.018   0.653   3.918
 C    0.548   1.457   5.121
 O   -0.066   1.455   6.168
 C    0.271   1.334   2.591
 S   -0.924   0.936   1.275
 H   -2.036   0.964   3.409
 H    0.406  -0.342   3.917
 H    0.295   2.399   2.743
 H    1.228   1.014   2.272
 N    1.689   2.118   4.982
 C    2.270   2.885   6.106
 C    1.479   4.170   6.369
 O    0.667   4.588   5.569
 C    3.685   3.211   5.628
 C    3.643   3.120   4.090
 C    2.501   2.185   3.744
 H    2.315   2.278   6.996
 H    3.961   4.210   5.939
 H    4.386   2.490   6.017
 H    3.440   4.093   3.663
 H    4.559   2.720   3.703
 H    1.949   2.615   2.933
 H    2.873   1.207   3.482
 N    1.717   4.798   7.490
 C    0.991   6.056   7.814
 C    1.258   7.092   6.721
 O    2.419   7.359   6.458
 C    1.484   6.594   9.161
 C    3.016   6.594   9.185
 C    3.514   5.498  10.131
 C    4.890   5.882  10.681
 N    5.887   5.890   9.573
 O    0.298   7.599   6.165
 H    2.378   4.441   8.119
 H   -0.069   5.856   7.871
 H    1.121   7.603   9.299
 H    1.114   5.967   9.958
 H    3.391   6.409   8.189
 H    3.371   7.553   9.531
 H    2.817   5.386  10.948
 H    3.591   4.566   9.593
 H    4.838   6.864  11.127
 H    5.190   5.163  11.430
 H    5.394   5.999   8.664
 H    6.548   6.683   9.706
 H    6.417   4.996   9.575
 CD   0.459   0.694  -0.838
 CD  -2.186  -1.235   1.547
 CD  -3.181   0.084  -2.265
434
*
 N    7.011   4.828  -2.128
 C    7.985   3.811  -1.638
 C    7.290   2.860  -0.658
 O    6.694   3.289   0.308
 C    9.143   4.512  -0.930
 O   10.178   4.775  -1.868
 H    6.264   4.962  -1.416
 H    7.502   5.729  -2.290
 H    6.587   4.502  -3.018
 H    8.367   3.238  -2.477
 H    8.800   5.442  -0.510
 H    9.515   3.876  -0.137
 H   10.128   4.111  -2.559
 N    7.402   1.592  -0.953
 C    6.815   0.510  -0.155
 C    7.525   0.283   1.159
 O    8.733   0.196   1.257
 C    6.815  -0.683  -1.100
 C    7.785  -0.343  -2.255
 C    8.149   1.121  -2.125
 H    5.798   0.747   0.066
 H    7.158  -1.565  -0.575
 H    5.836  -0.841  -1.478
 H    8.664  -0.937  -2.208
 H    7.278  -0.479  -3.204
 H    9.212   1.234  -1.969
 H    7.836   1.656  -3.001
 N    6.723   0.238   2.181
 C    7.225   0.073   3.557
 C    7.764  -1.343   3.779
 O    8.093  -2.053   2.849
 C    6.076   0.389   4.525
 S    4.555  -0.490   4.051
 H    5.761   0.347   2.033
 H    8.023   0.780   3.724
 H    6.354   0.094   5.522
 H    5.896   1.442   4.517
 N    7.890  -1.733   5.015
 C    8.451  -3.084   5.343
 C    7.392  -4.179   5.218
 O    7.564  -5.279   5.703
 C    8.959  -3.063   6.776
 C    7.778  -2.922   7.740
 C    8.228  -3.291   9.156
 O    8.396  -2.430   9.997
 N    8.431  -4.545   9.458
 H    7.641  -1.118   5.738
 H    9.273  -3.303   4.680
 H    9.483  -3.981   6.979
 H    9.624  -2.226   6.901
 H    7.425  -1.901   7.729
 H    6.981  -3.581   7.435
 H    8.716  -4.791  10.363
 H    8.296  -5.241   8.781
 N    6.307  -3.889   4.586
 C    5.232  -4.914   4.438
 C    4.632  -4.840   3.035
 O    3.642  -5.476   2.734
 C    4.135  -4.628   5.456
 C    4.268  -5.584   6.642
 C    3.482  -6.865   6.357
 C    3.580  -7.803   7.561
 N    5.001  -7.899   8.002
 H    6.194  -2.996   4.213
 H    5.639  -5.897   4.609
 H    4.230  -3.607   5.799
 H    3.172  -4.763   4.989
 H    5.310  -5.826   6.794
 H    3.875  -5.113   7.530
 H    2.446  -6.617   6.176
 H    3.893  -7.354   5.487
 H    2.978  -7.416   8.370
 H    3.222  -8.784   7.284
 H    5.587  -8.231   7.209
 H    5.332  -6.964   8.312
 H    5.074  -8.570   8.793
 N    5.208  -4.044   2.191
 C    4.678  -3.879   0.823
 C    5.592  -4.557  -0.194
 O    5.199  -4.823  -1.312
 C    4.678  -2.395   0.533
 S    3.007  -1.752   0.654
 H    5.983  -3.524   2.465
 H    3.667  -4.268   0.752
 H    5.304  -1.894   1.257
 H    5.070  -2.222  -0.447
 N    6.820  -4.804   0.165
 C    7.757  -5.421  -0.812
 C    7.120  -6.637  -1.447
 O    6.366  -6.527  -2.393
 C    9.062  -5.807  -0.112
 O    9.740  -4.629   0.302
 C    9.948  -6.597  -1.076
 H    7.131  -4.557   1.063
 H    7.954  -4.719  -1.582
 H    8.842  -6.418   0.750
 H   10.664  -4.851   0.440
 H    9.396  -6.810  -1.980
 H   10.824  -6.014  -1.319
 H   10.250  -7.524  -0.612
 N    7.382  -7.791  -0.936
 C    6.745  -8.987  -1.521
 C    5.427  -9.187  -0.793
 O    4.955 -10.295  -0.633
 C    7.641 -10.210  -1.322
 O    8.170 -10.195  -0.003
 H    7.973  -7.868  -0.159
 H    6.563  -8.828  -2.574
 H    7.065 -11.109  -1.463
 H    8.447 -10.186  -2.044
 H    8.818 -10.901   0.065
 N    4.830  -8.115  -0.325
 C    3.546  -8.279   0.417
 C    2.632  -7.058   0.263
 O    1.975  -6.659   1.204
 H    5.237  -7.213  -0.448
 H    3.034  -9.152   0.042
 H    3.764  -8.424   1.465
 N    2.540  -6.471  -0.902
 C    1.617  -5.308  -1.042
 C    0.197  -5.812  -0.806
 O   -0.325  -6.606  -1.564
 C    1.712  -4.698  -2.439
 S    0.724  -3.178  -2.484
 H    3.048  -6.804  -1.672
 H    1.860  -4.561  -0.300
 H    2.743  -4.468  -2.663
 H    1.331  -5.398  -3.167
 N   -0.421  -5.391   0.257
 C   -1.797  -5.889   0.555
 C   -2.872  -4.896   0.094
 O   -4.049  -5.195   0.144
 C   -1.933  -6.114   2.063
 C   -2.562  -7.486   2.318
 C   -2.804  -7.670   3.818
 C   -2.940  -9.160   4.131
 N   -3.530  -9.331   5.489
 H    0.031  -4.772   0.874
 H   -1.947  -6.829   0.047
 H   -0.956  -6.074   2.522
 H   -2.563  -5.347   2.486
 H   -3.503  -7.553   1.791
 H   -1.896  -8.259   1.965
 H   -1.971  -7.259   4.370
 H   -3.712  -7.159   4.102
 H   -3.583  -9.625   3.398
 H   -1.966  -9.625   4.101
 H   -2.967  -8.794   6.181
 H   -4.508  -8.979   5.489
 H   -3.527 -10.338   5.745
 N   -2.506  -3.716  -0.327
 C   -3.519  -2.740  -0.746
 C   -3.944  -2.972  -2.197
 O   -3.151  -2.872  -3.112
 C   -2.914  -1.351  -0.634
 S   -1.791  -1.250   0.774
 H   -1.574  -3.451  -0.349
 H   -4.379  -2.808  -0.099
 H   -2.376  -1.118  -1.534
 H   -3.694  -0.659  -0.503
 N   -5.203  -3.232  -2.415
 C   -5.698  -3.416  -3.806
 C   -6.152  -2.047  -4.314
 O   -6.221  -1.794  -5.501
 C   -6.880  -4.387  -3.812
 H   -5.830  -3.273  -1.663
 H   -4.903  -3.795  -4.432
 H   -6.960  -4.861  -2.845
 H   -7.790  -3.845  -4.024
 H   -6.724  -5.140  -4.570
 N   -6.448  -1.160  -3.401
 C   -6.886   0.213  -3.771
 C   -6.465   1.164  -2.649
 O   -5.877   0.751  -1.669
 C   -8.409   0.247  -3.926
 O   -8.856  -0.988  -4.466
 C   -8.806   1.389  -4.862
 H   -6.371  -1.399  -2.454
 H   -6.415   0.509  -4.697
 H   -8.865   0.404  -2.960
 H   -9.718  -1.182  -4.089
 H   -7.963   1.657  -5.482
 H   -9.627   1.073  -5.489
 H   -9.109   2.245  -4.277
 N   -6.756   2.428  -2.771
 C   -6.361   3.377  -1.691
 C   -7.120   3.024  -0.412
 O   -6.616   3.181   0.683
 C   -6.700   4.809  -2.111
 C   -8.124   4.855  -2.667
 C   -8.111   5.494  -4.056
 C   -8.859   6.827  -4.012
 N   -8.374   7.702  -5.116
 H   -7.232   2.752  -3.564
 H   -5.297   3.294  -1.509
 H   -6.627   5.462  -1.254
 H   -6.008   5.134  -2.873
 H   -8.516   3.850  -2.736
 H   -8.749   5.440  -2.009
 H   -7.090   5.663  -4.365
 H   -8.596   4.835  -4.760
 H   -9.918   6.650  -4.130
 H   -8.678   7.311  -3.063
 H   -7.488   7.315  -5.500
 H   -9.091   7.740  -5.868
 H   -8.206   8.661  -4.752
 N   -8.324   2.538  -0.539
 C   -9.104   2.167   0.674
 C   -8.305   1.142   1.481
 O   -8.190   1.236   2.687
 C  -10.446   1.559   0.257
 C  -11.573   2.544   0.577
 C  -12.659   1.834   1.388
 O  -12.649   0.615   1.415
 O  -13.483   2.523   1.967
 H   -8.711   2.412  -1.430
 H   -9.277   3.046   1.277
 H  -10.435   1.355  -0.804
 H  -10.610   0.640   0.799
 H  -11.177   3.369   1.150
 H  -11.999   2.916  -0.343
 N   -7.742   0.169   0.816
 C   -6.937  -0.860   1.531
 C   -5.588  -0.252   1.921
 O   -4.925  -0.709   2.830
 C   -6.711  -2.057   0.603
 C   -8.018  -2.400  -0.114
 C   -8.203  -3.918  -0.147
 O   -8.149  -4.524   0.910
 O   -8.397  -4.448  -1.228
 H   -7.843   0.121  -0.157
 H   -7.462  -1.181   2.418
 H   -5.954  -1.806  -0.127
 H   -6.385  -2.907   1.183
 H   -8.846  -1.947   0.411
 H   -7.983  -2.022  -1.125
 N   -5.185   0.780   1.232
 C   -3.888   1.442   1.536
 C   -3.944   2.104   2.898
 O   -2.949   2.262   3.570
 C   -3.645   2.517   0.504
 S   -1.892   2.946   0.504
 H   -5.740   1.124   0.503
 H   -3.088   0.725   1.508
 H   -3.943   2.154  -0.459
 H   -4.231   3.387   0.753
 N   -5.104   2.497   3.305
 C   -5.243   3.158   4.632
 C   -5.084   2.109   5.734
 O   -5.187   2.404   6.908
 C   -6.624   3.802   4.738
 O   -6.480   5.174   5.084
 H   -5.887   2.354   2.733
 H   -4.480   3.916   4.741
 H   -7.131   3.727   3.790
 H   -7.202   3.287   5.494
 H   -5.747   5.248   5.700
 N   -4.857   0.880   5.359
 C   -4.719  -0.194   6.358
 C   -3.241  -0.506   6.629
 O   -2.852  -0.734   7.757
 C   -5.416  -1.429   5.801
 C   -5.126  -2.617   6.706
 C   -5.779  -3.873   6.127
 C   -6.984  -4.267   6.984
 N   -8.018  -4.905   6.121
 H   -4.800   0.655   4.417
 H   -5.196   0.104   7.274
 H   -6.481  -1.250   5.759
 H   -5.045  -1.632   4.807
 H   -4.058  -2.759   6.771
 H   -5.527  -2.421   7.687
 H   -6.106  -3.674   5.117
 H   -5.063  -4.681   6.122
 H   -6.671  -4.965   7.746
 H   -7.398  -3.386   7.452
 H   -7.913  -4.564   5.145
 H   -7.898  -5.938   6.144
 H   -8.965  -4.657   6.473
 N   -2.410  -0.534   5.619
 C   -0.971  -0.851   5.868
 C   -0.103   0.380   5.633
 O    1.053   0.421   6.004
 C   -0.522  -1.988   4.949
 O    0.876  -1.884   4.716
 C   -1.274  -1.901   3.622
 H   -2.729  -0.359   4.708
 H   -0.861  -1.154   6.887
 H   -0.738  -2.936   5.418
 H    1.030  -1.102   4.184
 H   -1.127  -0.923   3.188
 H   -0.901  -2.655   2.946
 H   -2.328  -2.063   3.795
 N   -0.658   1.388   5.046
 C    0.128   2.640   4.808
 C   -0.813   3.842   4.819
 O   -1.989   3.728   5.100
 C    0.858   2.614   3.450
 S    0.905   0.944   2.755
 H   -1.598   1.326   4.783
 H    0.855   2.755   5.599
 H    0.343   3.265   2.760
 H    1.868   2.973   3.585
 N   -0.296   4.992   4.499
 C   -1.140   6.217   4.464
 C   -1.158   6.768   3.041
 O   -1.917   7.656   2.706
 C   -0.543   7.262   5.403
 O   -0.018   6.616   6.555
 C   -1.621   8.264   5.819
 H    0.655   5.050   4.269
 H   -2.137   5.975   4.767
 H    0.251   7.782   4.889
 H    0.876   6.329   6.352
 H   -2.555   8.005   5.345
 H   -1.742   8.237   6.892
 H   -1.326   9.258   5.515
 N   -0.314   6.241   2.213
 C   -0.233   6.704   0.800
 C    0.233   5.539  -0.083
 O    0.701   4.536   0.418
 C    0.781   7.851   0.717
 C    0.074   9.182   0.982
 C    0.295  10.126  -0.202
 C   -0.773  11.221  -0.187
 N   -2.109  10.606   0.052
 H    0.279   5.538   2.529
 H   -1.202   7.048   0.471
 H    1.551   7.700   1.460
 H    1.228   7.870  -0.263
 H   -0.985   9.007   1.111
 H    0.477   9.631   1.877
 H    1.275  10.576  -0.126
 H    0.225   9.570  -1.125
 H   -0.554  11.925   0.602
 H   -0.777  11.733  -1.137
 H   -2.148   9.672  -0.401
 H   -2.264  10.499   1.074
 H   -2.848  11.219  -0.349
 N    0.106   5.713  -1.376
 C    0.524   4.697  -2.361
 C    2.026   4.621  -2.440
 O    2.679   5.389  -3.119
 C   -0.096   5.181  -3.675
 C   -0.362   6.692  -3.497
 C   -0.455   6.942  -1.979
 H    0.147   3.714  -2.120
 H    0.593   5.014  -4.492
 H   -1.026   4.667  -3.860
 H    0.452   7.263  -3.921
 H   -1.294   6.965  -3.969
 H    0.130   7.806  -1.706
 H   -1.484   7.067  -1.678
 N    2.559   3.657  -1.754
 C    4.009   3.423  -1.771
 C    4.415   3.280  -3.241
 O    3.699   3.691  -4.130
 C    4.287   2.114  -1.023
 S    4.183   2.371   0.782
 H    1.985   3.063  -1.239
 H    4.534   4.245  -1.308
 H    3.558   1.374  -1.320
 H    5.267   1.770  -1.288
 N    5.521   2.683  -3.537
 C    5.873   2.537  -4.973
 C    5.134   1.332  -5.561
 O    5.527   0.806  -6.583
 C    7.380   2.332  -5.128
 O    7.683   0.952  -4.963
 H    6.103   2.322  -2.838
 H    5.578   3.431  -5.504
 H    7.690   2.647  -6.111
 H    7.902   2.918  -4.383
 H    8.557   0.794  -5.327
 N    4.081   0.858  -4.927
 C    3.386  -0.342  -5.502
 C    1.870  -0.295  -5.307
 O    1.139  -0.902  -6.063
 C    3.903  -1.595  -4.814
 S    4.215  -1.206  -3.084
 H    3.770   1.265  -4.073
 H    3.606  -0.407  -6.556
 H    3.165  -2.380  -4.886
 H    4.821  -1.915  -5.284
 N    1.374   0.379  -4.308
 C   -0.075   0.405  -4.112
 C   -0.722   1.064  -5.364
 O   -0.183   0.923  -6.443
 C   -0.360   1.179  -2.840
 S    0.876   0.913  -1.530
 H    1.940   0.858  -3.686
 H   -0.439  -0.607  -4.010
 H   -0.413   2.228  -3.075
 H   -1.301   0.862  -2.476
 N   -1.850   1.755  -5.239
 C   -2.492   2.376  -6.416
 C   -1.716   3.616  -6.870
 O   -0.861   4.119  -6.170
 C   -3.885   2.757  -5.913
 C   -3.769   2.859  -4.379
 C   -2.586   1.999  -3.974
 H   -2.575   1.665  -7.221
 H   -4.183   3.709  -6.332
 H   -4.599   1.992  -6.175
 H   -3.578   3.882  -4.086
 H   -4.656   2.489  -3.903
 H   -1.992   2.555  -3.275
 H   -2.918   1.068  -3.543
 N   -2.011   4.109  -8.043
 C   -1.296   5.313  -8.550
 C   -1.802   6.554  -7.813
 O   -1.462   7.648  -8.235
 C   -1.561   5.467 -10.049
 C   -0.466   6.330 -10.677
 C   -0.310   5.962 -12.154
 C    0.210   7.173 -12.931
 N   -0.885   8.172 -13.085
 O   -2.520   6.390  -6.841
 H   -2.705   3.685  -8.592
 H   -0.236   5.200  -8.382
 H   -1.564   4.493 -10.516
 H   -2.520   5.941 -10.199
 H   -0.736   7.373 -10.592
 H    0.468   6.157 -10.164
 H    0.390   5.145 -12.247
 H   -1.267   5.664 -12.554
 H    1.033   7.621 -12.392
 H    0.549   6.856 -13.906
 H   -1.804   7.685 -13.058
 H   -0.835   8.864 -12.311
 H   -0.780   8.665 -13.994
 CD  -0.449   0.877   0.630
 CD   2.142  -1.268  -1.656
 CD   3.230   0.353   2.027
434
*
 N    7.824   5.397  -2.159
 C    8.525   4.196  -1.623
 C    7.595   3.445  -0.669
 O    7.002   4.031   0.215
 C    9.785   4.631  -0.874
 O   10.493   5.580  -1.662
 H    6.923   5.110  -2.588
 H    7.639   6.065  -1.384
 H    8.422   5.855  -2.878
 H    8.797   3.537  -2.440
 H    9.510   5.082   0.065
 H   10.408   3.766  -0.688
 H   10.325   5.382  -2.586
 N    7.495   2.163  -0.894
 C    6.652   1.269  -0.101
 C    7.260   0.920   1.242
 O    8.459   0.833   1.415
 C    6.410   0.088  -1.031
 C    7.500   0.151  -2.128
 C    8.221   1.479  -1.973
 H    5.727   1.737   0.081
 H    6.485  -0.839  -0.480
 H    5.443   0.177  -1.477
 H    8.190  -0.652  -2.028
 H    7.028   0.134  -3.104
 H    9.255   1.318  -1.698
 H    8.154   2.041  -2.885
 N    6.398   0.797   2.216
 C    6.847   0.539   3.600
 C    7.493  -0.837   3.742
 O    7.822  -1.495   2.775
 C    5.662   0.698   4.563
 S    4.202  -0.231   4.004
 H    5.442   0.925   2.034
 H    7.588   1.283   3.855
 H    5.950   0.338   5.537
 H    5.419   1.734   4.639
 N    7.717  -1.241   4.959
 C    8.394  -2.541   5.228
 C    7.405  -3.715   5.149
 O    7.641  -4.776   5.692
 C    9.006  -2.462   6.628
 C    9.564  -3.819   7.024
 C   10.713  -3.630   8.014
 O   11.546  -2.763   7.837
 N   10.794  -4.407   9.060
 H    7.467  -0.664   5.710
 H    9.182  -2.689   4.506
 H    9.802  -1.732   6.631
 H    8.246  -2.168   7.336
 H    8.781  -4.404   7.481
 H    9.926  -4.324   6.143
 H   11.526  -4.293   9.700
 H   10.121  -5.105   9.205
 N    6.307  -3.546   4.476
 C    5.322  -4.666   4.373
 C    4.562  -4.560   3.054
 O    3.536  -5.181   2.856
 C    4.329  -4.547   5.513
 C    4.710  -5.518   6.633
 C    3.568  -6.508   6.870
 C    3.039  -6.346   8.296
 N    1.773  -7.118   8.445
 H    6.126  -2.688   4.040
 H    5.833  -5.614   4.429
 H    4.346  -3.532   5.886
 H    3.343  -4.781   5.146
 H    5.602  -6.059   6.350
 H    4.899  -4.965   7.541
 H    2.771  -6.315   6.166
 H    3.931  -7.516   6.736
 H    3.771  -6.719   8.996
 H    2.849  -5.301   8.494
 H    1.493  -7.505   7.520
 H    1.918  -7.896   9.117
 H    1.024  -6.491   8.800
 N    5.046  -3.749   2.173
 C    4.370  -3.537   0.874
 C    5.154  -4.210  -0.252
 O    4.601  -4.587  -1.265
 C    4.339  -2.035   0.636
 S    2.641  -1.467   0.706
 H    5.850  -3.248   2.377
 H    3.353  -3.923   0.910
 H    4.908  -1.541   1.411
 H    4.768  -1.792  -0.320
 N    6.441  -4.345  -0.096
 C    7.248  -4.974  -1.180
 C    6.612  -6.282  -1.602
 O    5.753  -6.314  -2.461
 C    8.681  -5.217  -0.701
 O    9.337  -3.967  -0.522
 C    9.431  -6.055  -1.739
 H    6.876  -4.020   0.725
 H    7.252  -4.325  -2.022
 H    8.660  -5.750   0.237
 H   10.166  -3.991  -1.005
 H    9.275  -5.634  -2.722
 H   10.487  -6.052  -1.510
 H    9.061  -7.069  -1.718
 N    6.988  -7.360  -0.994
 C    6.356  -8.644  -1.362
 C    5.133  -8.807  -0.472
 O    4.758  -9.904  -0.106
 C    7.335  -9.796  -1.124
 O    7.036 -10.424   0.116
 H    7.664  -7.322  -0.287
 H    6.055  -8.622  -2.399
 H    7.242 -10.519  -1.917
 H    8.346  -9.411  -1.111
 H    6.938  -9.738   0.780
 N    4.510  -7.712  -0.103
 C    3.318  -7.824   0.784
 C    2.306  -6.709   0.504
 O    1.460  -6.423   1.328
 H    4.838  -6.822  -0.400
 H    2.844  -8.780   0.619
 H    3.636  -7.760   1.814
 N    2.358  -6.079  -0.640
 C    1.357  -5.007  -0.908
 C   -0.036  -5.595  -0.715
 O   -0.510  -6.372  -1.520
 C    1.486  -4.480  -2.335
 S    0.493  -2.972  -2.487
 H    3.032  -6.314  -1.311
 H    1.504  -4.197  -0.208
 H    2.521  -4.256  -2.547
 H    1.125  -5.223  -3.031
 N   -0.685  -5.256   0.359
 C   -2.041  -5.832   0.611
 C   -3.151  -4.850   0.211
 O   -4.320  -5.160   0.324
 C   -2.180  -6.172   2.096
 C   -2.788  -7.569   2.243
 C   -2.764  -7.985   3.715
 C   -1.593  -8.939   3.958
 N   -2.046 -10.344   3.752
 H   -0.270  -4.645   1.009
 H   -2.149  -6.737   0.034
 H   -1.205  -6.152   2.563
 H   -2.823  -5.450   2.573
 H   -3.809  -7.555   1.889
 H   -2.215  -8.275   1.661
 H   -2.649  -7.107   4.334
 H   -3.689  -8.482   3.963
 H   -0.795  -8.713   3.267
 H   -1.237  -8.821   4.971
 H   -2.973 -10.343   3.279
 H   -1.355 -10.848   3.161
 H   -2.125 -10.822   4.671
 N   -2.819  -3.669  -0.239
 C   -3.861  -2.704  -0.612
 C   -4.439  -3.040  -1.987
 O   -3.755  -2.990  -2.990
 C   -3.233  -1.319  -0.650
 S   -2.036  -1.144   0.693
 H   -1.891  -3.400  -0.318
 H   -4.649  -2.719   0.125
 H   -2.742  -1.161  -1.597
 H   -3.997  -0.607  -0.527
 N   -5.703  -3.353  -2.045
 C   -6.335  -3.656  -3.359
 C   -6.769  -2.330  -3.981
 O   -6.889  -2.192  -5.182
 C   -7.554  -4.557  -3.151
 H   -6.242  -3.364  -1.226
 H   -5.620  -4.147  -4.004
 H   -7.394  -5.187  -2.288
 H   -8.431  -3.947  -2.994
 H   -7.698  -5.175  -4.025
 N   -6.985  -1.349  -3.149
 C   -7.393  -0.004  -3.634
 C   -6.953   1.024  -2.591
 O   -6.330   0.683  -1.606
 C   -8.914   0.045  -3.805
 O   -9.518   0.407  -2.571
 C   -9.423  -1.329  -4.242
 H   -6.864  -1.497  -2.188
 H   -6.910   0.206  -4.578
 H   -9.168   0.774  -4.559
 H  -10.206   1.051  -2.756
 H   -8.944  -1.614  -5.167
 H   -9.192  -2.058  -3.479
 H  -10.492  -1.287  -4.389
 N   -7.263   2.274  -2.784
 C   -6.844   3.291  -1.780
 C   -7.523   2.986  -0.444
 O   -6.966   3.213   0.612
 C   -7.244   4.689  -2.255
 C   -7.106   4.774  -3.777
 C   -7.083   6.243  -4.209
 C   -5.743   6.871  -3.823
 N   -5.055   7.365  -5.049
 H   -7.767   2.541  -3.581
 H   -5.770   3.245  -1.651
 H   -8.269   4.885  -1.975
 H   -6.599   5.422  -1.796
 H   -6.187   4.295  -4.081
 H   -7.943   4.278  -4.243
 H   -7.216   6.304  -5.279
 H   -7.882   6.775  -3.716
 H   -5.914   7.696  -3.149
 H   -5.125   6.130  -3.337
 H   -5.197   6.688  -5.825
 H   -5.450   8.287  -5.321
 H   -4.037   7.467  -4.858
 N   -8.720   2.464  -0.478
 C   -9.420   2.139   0.795
 C   -8.558   1.161   1.594
 O   -8.261   1.382   2.751
 C  -10.777   1.502   0.491
 C  -11.857   2.586   0.489
 C  -13.040   2.132   1.346
 O  -12.858   1.220   2.136
 O  -14.108   2.703   1.196
 H   -9.153   2.281  -1.338
 H   -9.564   3.043   1.369
 H  -10.741   1.026  -0.478
 H  -11.008   0.767   1.247
 H  -11.450   3.501   0.894
 H  -12.193   2.758  -0.522
 N   -8.136   0.088   0.981
 C   -7.276  -0.888   1.705
 C   -5.926  -0.228   1.982
 O   -5.216  -0.594   2.897
 C   -7.076  -2.135   0.842
 C   -8.412  -2.544   0.221
 C   -8.476  -4.068   0.108
 O   -7.786  -4.727   0.867
 O   -9.214  -4.549  -0.737
 H   -8.374  -0.067   0.043
 H   -7.745  -1.162   2.639
 H   -6.364  -1.920   0.059
 H   -6.705  -2.942   1.456
 H   -9.221  -2.193   0.846
 H   -8.502  -2.107  -0.762
 N   -5.575   0.750   1.192
 C   -4.284   1.462   1.391
 C   -4.302   2.204   2.712
 O   -3.302   2.336   3.373
 C   -4.104   2.484   0.291
 S   -2.385   3.033   0.293
 H   -6.167   1.021   0.462
 H   -3.467   0.763   1.375
 H   -4.357   2.040  -0.651
 H   -4.751   3.328   0.476
 N   -5.436   2.696   3.091
 C   -5.525   3.440   4.379
 C   -5.293   2.458   5.527
 O   -5.157   2.835   6.674
 C   -6.911   4.073   4.513
 O   -6.867   5.095   5.500
 H   -6.227   2.573   2.527
 H   -4.769   4.212   4.404
 H   -7.207   4.503   3.571
 H   -7.626   3.313   4.799
 H   -6.049   5.583   5.386
 N   -5.265   1.194   5.214
 C   -5.067   0.151   6.235
 C   -3.577  -0.026   6.564
 O   -3.166   0.112   7.700
 C   -5.618  -1.141   5.654
 C   -5.680  -2.195   6.745
 C   -4.852  -3.411   6.328
 C   -5.783  -4.506   5.809
 N   -5.262  -5.839   6.224
 H   -5.396   0.919   4.292
 H   -5.613   0.404   7.130
 H   -6.612  -0.961   5.262
 H   -4.974  -1.480   4.857
 H   -5.283  -1.778   7.658
 H   -6.705  -2.489   6.894
 H   -4.161  -3.125   5.548
 H   -4.302  -3.782   7.179
 H   -6.772  -4.362   6.219
 H   -5.830  -4.458   4.732
 H   -5.147  -5.860   7.257
 H   -5.934  -6.578   5.937
 H   -4.342  -6.009   5.768
 N   -2.766  -0.355   5.589
 C   -1.310  -0.565   5.870
 C   -0.527   0.721   5.637
 O    0.597   0.872   6.075
 C   -0.763  -1.670   4.961
 O    0.624  -1.848   5.219
 C   -0.965  -1.274   3.497
 H   -3.115  -0.481   4.683
 H   -1.196  -0.854   6.891
 H   -1.288  -2.592   5.157
 H    0.790  -2.789   5.310
 H   -1.445  -0.308   3.449
 H   -0.007  -1.225   3.001
 H   -1.587  -2.009   3.007
 N   -1.117   1.644   4.964
 C   -0.425   2.944   4.701
 C   -1.462   4.059   4.599
 O   -2.620   3.885   4.920
 C    0.380   2.904   3.384
 S    0.464   1.223   2.713
 H   -2.021   1.485   4.641
 H    0.245   3.160   5.519
 H   -0.095   3.549   2.660
 H    1.381   3.264   3.573
 N   -1.045   5.206   4.155
 C   -1.991   6.348   4.017
 C   -1.901   6.922   2.606
 O   -2.664   7.784   2.219
 C   -1.609   7.433   5.015
 O   -1.510   6.868   6.316
 C   -2.667   8.536   5.009
 H   -0.103   5.317   3.912
 H   -2.989   6.011   4.204
 H   -0.656   7.850   4.726
 H   -2.172   6.178   6.390
 H   -3.618   8.122   4.705
 H   -2.757   8.955   6.001
 H   -2.376   9.312   4.317
 N   -0.959   6.456   1.849
 C   -0.775   6.967   0.461
 C   -0.306   5.822  -0.450
 O   -0.088   4.718   0.008
 C    0.284   8.082   0.455
 C    0.642   8.489   1.891
 C    1.921   9.329   1.882
 C    3.138   8.413   2.031
 N    3.378   8.136   3.476
 H   -0.360   5.779   2.201
 H   -1.712   7.358   0.094
 H    1.173   7.725  -0.046
 H   -0.103   8.940  -0.072
 H   -0.167   9.066   2.313
 H    0.802   7.603   2.487
 H    1.988   9.871   0.950
 H    1.897  10.028   2.705
 H    2.955   7.483   1.512
 H    4.006   8.897   1.608
 H    3.410   9.033   4.000
 H    2.607   7.547   3.849
 H    4.284   7.635   3.588
 N   -0.157   6.131  -1.716
 C    0.297   5.162  -2.733
 C    1.790   4.957  -2.646
 O    2.573   5.669  -3.243
 C   -0.093   5.821  -4.059
 C   -0.222   7.335  -3.774
 C   -0.425   7.483  -2.254
 H   -0.192   4.203  -2.638
 H    0.675   5.643  -4.800
 H   -1.039   5.434  -4.401
 H    0.680   7.848  -4.082
 H   -1.076   7.739  -4.296
 H    0.278   8.200  -1.853
 H   -1.438   7.779  -2.033
 N    2.179   3.948  -1.929
 C    3.610   3.623  -1.824
 C    4.108   3.428  -3.256
 O    3.447   3.810  -4.201
 C    3.759   2.314  -1.040
 S    3.718   2.642   0.752
 H    1.517   3.383  -1.486
 H    4.148   4.423  -1.338
 H    2.949   1.652  -1.299
 H    4.688   1.850  -1.312
 N    5.226   2.814  -3.461
 C    5.662   2.608  -4.866
 C    4.973   1.360  -5.427
 O    5.485   0.722  -6.325
 C    7.178   2.422  -4.925
 O    7.611   2.522  -6.276
 H    5.759   2.473  -2.712
 H    5.382   3.469  -5.457
 H    7.660   3.189  -4.342
 H    7.437   1.451  -4.524
 H    7.689   1.632  -6.629
 N    3.827   0.977  -4.902
 C    3.177  -0.262  -5.441
 C    1.654  -0.230  -5.292
 O    0.950  -0.833  -6.078
 C    3.706  -1.472  -4.684
 S    3.990  -1.001  -2.967
 H    3.416   1.479  -4.152
 H    3.427  -0.366  -6.485
 H    2.981  -2.272  -4.727
 H    4.634  -1.800  -5.128
 N    1.121   0.442  -4.307
 C   -0.333   0.470  -4.160
 C   -0.915   1.119  -5.442
 O   -0.266   1.077  -6.468
 C   -0.667   1.282  -2.923
 S    0.552   1.116  -1.582
 H    1.664   0.928  -3.674
 H   -0.715  -0.538  -4.051
 H   -0.757   2.318  -3.201
 H   -1.602   0.942  -2.561
 N   -2.096   1.711  -5.389
 C   -2.679   2.347  -6.587
 C   -1.928   3.641  -6.912
 O   -1.242   4.195  -6.078
 C   -4.124   2.636  -6.178
 C   -4.124   2.675  -4.637
 C   -2.954   1.823  -4.185
 H   -2.659   1.671  -7.427
 H   -4.439   3.591  -6.579
 H   -4.776   1.850  -6.525
 H   -3.976   3.688  -4.290
 H   -5.033   2.269  -4.243
 H   -2.454   2.337  -3.389
 H   -3.290   0.849  -3.865
 N   -2.048   4.127  -8.117
 C   -1.335   5.382  -8.483
 C   -2.154   6.588  -8.019
 O   -1.813   7.694  -8.403
 C   -1.153   5.444 -10.001
 C   -2.520   5.563 -10.675
 C   -2.406   5.131 -12.138
 C   -3.735   4.530 -12.600
 N   -3.518   3.124 -13.044
 O   -3.108   6.383  -7.286
 H   -2.603   3.666  -8.781
 H   -0.367   5.399  -8.004
 H   -0.549   6.303 -10.255
 H   -0.662   4.545 -10.341
 H   -3.230   4.928 -10.165
 H   -2.856   6.588 -10.630
 H   -2.167   5.990 -12.748
 H   -1.625   4.391 -12.235
 H   -4.440   4.545 -11.782
 H   -4.125   5.111 -13.422
 H   -2.499   2.954 -13.170
 H   -3.892   2.472 -12.327
 H   -4.011   2.965 -13.945
 CD  -0.828   1.062   0.543
 CD   1.858  -1.038  -1.631
 CD   2.810   0.651   2.044
434
*
 N   -7.066   7.314   1.020
 C   -7.875   6.114   0.661
 C   -7.024   5.151  -0.166
 O   -6.391   5.541  -1.126
 C   -9.097   6.543  -0.151
 O   -8.743   6.619  -1.525
 H   -6.210   7.016   1.530
 H   -6.795   7.821   0.153
 H   -7.629   7.945   1.625
 H   -8.201   5.605   1.564
 H   -9.886   5.821  -0.027
 H   -9.438   7.509   0.198
 H   -8.676   7.547  -1.763
 N   -7.049   3.912   0.243
 C   -6.309   2.833  -0.410
 C   -6.922   2.415  -1.733
 O   -8.108   2.534  -1.965
 C   -6.263   1.736   0.644
 C   -7.355   2.061   1.685
 C   -7.833   3.473   1.410
 H   -5.318   3.152  -0.597
 H   -6.470   0.784   0.181
 H   -5.303   1.723   1.113
 H   -8.170   1.382   1.609
 H   -6.924   2.037   2.678
 H   -8.890   3.477   1.184
 H   -7.624   4.100   2.255
 N   -6.074   1.987  -2.630
 C   -6.534   1.623  -3.986
 C   -7.473   0.419  -3.966
 O   -7.942  -0.016  -2.933
 C   -5.327   1.372  -4.903
 S   -4.136   0.206  -4.172
 H   -5.117   1.952  -2.416
 H   -7.086   2.463  -4.384
 H   -5.679   0.963  -5.836
 H   -4.844   2.305  -5.099
 N   -7.782  -0.078  -5.128
 C   -8.742  -1.223  -5.247
 C   -8.086  -2.554  -4.888
 O   -8.662  -3.607  -5.072
 C   -9.238  -1.300  -6.683
 C   -8.042  -1.420  -7.628
 C   -8.276  -0.549  -8.864
 O   -7.338  -0.092  -9.485
 N   -9.498  -0.298  -9.249
 H   -7.404   0.334  -5.937
 H   -9.583  -1.052  -4.593
 H   -9.873  -2.165  -6.793
 H   -9.793  -0.407  -6.917
 H   -7.148  -1.091  -7.119
 H   -7.926  -2.449  -7.932
 H   -9.658   0.260 -10.039
 H  -10.255  -0.666  -8.747
 N   -6.899  -2.524  -4.383
 C   -6.216  -3.796  -4.017
 C   -5.633  -3.673  -2.614
 O   -4.946  -4.551  -2.130
 C   -5.092  -4.065  -5.010
 C   -5.592  -5.023  -6.091
 C   -4.885  -4.725  -7.414
 C   -5.171  -5.851  -8.408
 N   -4.172  -5.806  -9.512
 H   -6.455  -1.667  -4.243
 H   -6.926  -4.607  -4.043
 H   -4.785  -3.132  -5.462
 H   -4.256  -4.509  -4.492
 H   -5.384  -6.040  -5.792
 H   -6.657  -4.895  -6.218
 H   -5.249  -3.789  -7.813
 H   -3.820  -4.656  -7.246
 H   -5.105  -6.803  -7.902
 H   -6.164  -5.728  -8.815
 H   -3.351  -5.242  -9.215
 H   -3.862  -6.772  -9.739
 H   -4.605  -5.373 -10.353
 N   -5.891  -2.578  -1.971
 C   -5.357  -2.352  -0.616
 C   -6.461  -2.556   0.415
 O   -6.203  -2.808   1.575
 C   -4.884  -0.913  -0.566
 S   -3.094  -0.881  -0.628
 H   -6.429  -1.883  -2.390
 H   -4.525  -3.020  -0.421
 H   -5.277  -0.379  -1.420
 H   -5.225  -0.438   0.329
 N   -7.692  -2.431   0.006
 C   -8.806  -2.601   0.978
 C   -8.615  -3.890   1.747
 O   -7.892  -3.937   2.723
 C  -10.148  -2.614   0.241
 O  -10.421  -1.315  -0.264
 C  -11.259  -3.035   1.204
 H   -7.880  -2.214  -0.935
 H   -8.778  -1.800   1.671
 H  -10.102  -3.316  -0.577
 H  -11.182  -1.377  -0.847
 H  -11.012  -2.709   2.203
 H  -12.190  -2.581   0.898
 H  -11.360  -4.110   1.190
 N   -9.218  -4.947   1.315
 C   -9.014  -6.223   2.029
 C   -7.805  -6.896   1.399
 O   -7.707  -8.106   1.354
 C  -10.247  -7.114   1.872
 O  -10.955  -6.735   0.699
 H   -9.779  -4.909   0.512
 H   -8.824  -6.032   3.075
 H   -9.942  -8.143   1.786
 H  -10.883  -7.002   2.741
 H  -11.648  -7.382   0.550
 N   -6.881  -6.115   0.885
 C   -5.694  -6.744   0.237
 C   -4.441  -5.867   0.353
 O   -3.649  -5.806  -0.566
 H   -6.982  -5.125   0.913
 H   -5.502  -7.697   0.706
 H   -5.912  -6.906  -0.809
 N   -4.217  -5.210   1.462
 C   -2.973  -4.391   1.564
 C   -1.781  -5.341   1.503
 O   -1.539  -6.108   2.415
 C   -2.928  -3.614   2.879
 S   -1.518  -2.474   2.833
 H   -4.840  -5.272   2.217
 H   -2.925  -3.703   0.732
 H   -3.844  -3.054   2.999
 H   -2.812  -4.300   3.704
 N   -1.052  -5.323   0.428
 C    0.103  -6.259   0.307
 C    1.412  -5.590   0.747
 O    2.427  -6.246   0.873
 C    0.231  -6.718  -1.147
 C    1.125  -7.959  -1.215
 C    0.253  -9.216  -1.281
 C    0.110  -9.663  -2.737
 N   -1.317  -9.560  -3.153
 H   -1.279  -4.712  -0.309
 H   -0.078  -7.121   0.931
 H   -0.748  -6.958  -1.536
 H    0.671  -5.929  -1.737
 H    1.746  -7.906  -2.097
 H    1.749  -8.003  -0.336
 H    0.716 -10.004  -0.705
 H   -0.723  -8.999  -0.876
 H    0.715  -9.029  -3.369
 H    0.440 -10.687  -2.834
 H   -1.924  -9.532  -2.309
 H   -1.455  -8.692  -3.710
 H   -1.571 -10.387  -3.731
 N    1.421  -4.302   0.966
 C    2.664  -3.637   1.369
 C    2.916  -3.829   2.864
 O    2.166  -3.357   3.696
 C    2.528  -2.152   1.081
 S    1.558  -1.869  -0.418
 H    0.625  -3.763   0.853
 H    3.492  -4.038   0.805
 H    2.047  -1.664   1.908
 H    3.492  -1.753   0.949
 N    3.987  -4.484   3.212
 C    4.311  -4.667   4.654
 C    5.174  -3.482   5.085
 O    5.247  -3.128   6.245
 C    5.083  -5.973   4.855
 H    4.593  -4.830   2.524
 H    3.399  -4.685   5.234
 H    5.986  -5.953   4.262
 H    5.340  -6.082   5.898
 H    4.468  -6.806   4.547
 N    5.815  -2.860   4.131
 C    6.672  -1.680   4.418
 C    6.697  -0.803   3.167
 O    5.993  -1.061   2.211
 C    8.094  -2.139   4.750
 O    8.077  -3.516   5.098
 C    8.639  -1.319   5.921
 H    5.720  -3.169   3.206
 H    6.263  -1.122   5.247
 H    8.729  -1.993   3.889
 H    8.978  -3.786   5.288
 H    7.837  -1.099   6.611
 H    9.407  -1.884   6.430
 H    9.057  -0.396   5.550
 N    7.499   0.221   3.149
 C    7.554   1.088   1.938
 C    8.311   0.348   0.834
 O    8.139   0.617  -0.338
 C    8.276   2.396   2.269
 C    7.533   3.123   3.390
 C    8.495   4.072   4.106
 C    8.684   5.337   3.267
 N    9.622   5.053   2.143
 H    8.067   0.415   3.924
 H    6.547   1.301   1.600
 H    9.286   2.179   2.588
 H    8.304   3.025   1.391
 H    6.713   3.688   2.971
 H    7.150   2.401   4.096
 H    8.089   4.336   5.071
 H    9.450   3.585   4.237
 H    7.731   5.652   2.869
 H    9.093   6.122   3.886
 H   10.184   4.208   2.366
 H    9.077   4.889   1.272
 H   10.258   5.864   2.008
 N    9.144  -0.588   1.200
 C    9.904  -1.350   0.171
 C    8.916  -2.111  -0.716
 O    9.151  -2.319  -1.890
 C   10.846  -2.341   0.861
 C   12.285  -2.076   0.413
 C   13.130  -1.669   1.622
 O   12.664  -0.851   2.398
 O   14.230  -2.182   1.751
 H    9.264  -0.794   2.151
 H   10.479  -0.666  -0.434
 H   10.773  -2.219   1.932
 H   10.567  -3.348   0.593
 H   12.694  -2.972  -0.029
 H   12.295  -1.279  -0.315
 N    7.805  -2.520  -0.164
 C    6.793  -3.258  -0.972
 C    5.727  -2.273  -1.449
 O    5.064  -2.490  -2.444
 C    6.142  -4.343  -0.114
 C    7.194  -4.961   0.808
 C    8.130  -5.852  -0.012
 O    8.876  -5.314  -0.814
 O    8.085  -7.057   0.176
 H    7.633  -2.334   0.783
 H    7.274  -3.712  -1.827
 H    5.352  -3.907   0.479
 H    5.732  -5.110  -0.754
 H    7.765  -4.174   1.280
 H    6.705  -5.555   1.564
 N    5.565  -1.186  -0.745
 C    4.554  -0.170  -1.152
 C    4.981   0.461  -2.464
 O    4.183   0.935  -3.241
 C    4.507   0.936  -0.125
 S    3.066   1.978  -0.463
 H    6.115  -1.036   0.052
 H    3.579  -0.628  -1.245
 H    4.445   0.507   0.851
 H    5.404   1.532  -0.197
 N    6.250   0.484  -2.694
 C    6.775   1.095  -3.947
 C    6.426   0.192  -5.127
 O    6.713   0.497  -6.267
 C    8.293   1.233  -3.845
 O    8.747   2.170  -4.813
 H    6.860   0.101  -2.030
 H    6.331   2.068  -4.090
 H    8.559   1.582  -2.861
 H    8.753   0.268  -4.018
 H    9.072   1.679  -5.571
 N    5.828  -0.931  -4.854
 C    5.479  -1.873  -5.929
 C    3.955  -2.037  -6.012
 O    3.426  -2.464  -7.018
 C    6.135  -3.202  -5.577
 C    5.555  -4.315  -6.440
 C    6.086  -4.183  -7.870
 C    5.527  -5.315  -8.733
 N    6.332  -6.549  -8.512
 H    5.628  -1.171  -3.934
 H    5.862  -1.515  -6.870
 H    7.200  -3.126  -5.742
 H    5.950  -3.420  -4.533
 H    5.849  -5.268  -6.030
 H    4.479  -4.241  -6.447
 H    5.779  -3.232  -8.281
 H    7.164  -4.241  -7.860
 H    4.498  -5.502  -8.461
 H    5.578  -5.033  -9.774
 H    7.342  -6.327  -8.616
 H    6.156  -6.911  -7.553
 H    6.060  -7.270  -9.212
 N    3.247  -1.711  -4.963
 C    1.761  -1.861  -4.992
 C    1.110  -0.506  -5.215
 O    0.041  -0.384  -5.782
 C    1.285  -2.438  -3.658
 O    2.395  -2.981  -2.957
 C    0.250  -3.533  -3.909
 H    3.690  -1.374  -4.157
 H    1.489  -2.512  -5.786
 H    0.836  -1.654  -3.067
 H    2.885  -2.253  -2.565
 H    0.556  -4.130  -4.755
 H    0.172  -4.161  -3.034
 H   -0.708  -3.080  -4.114
 N    1.765   0.499  -4.766
 C    1.247   1.891  -4.915
 C    2.431   2.848  -4.994
 O    3.570   2.442  -5.099
 C    0.377   2.287  -3.707
 S   -0.194   0.814  -2.822
 H    2.614   0.334  -4.331
 H    0.664   1.965  -5.820
 H    0.959   2.900  -3.035
 H   -0.477   2.851  -4.053
 N    2.168   4.118  -4.924
 C    3.272   5.113  -4.974
 C    3.362   5.829  -3.630
 O    4.285   6.572  -3.362
 C    2.981   6.131  -6.068
 O    2.424   5.468  -7.195
 C    4.275   6.836  -6.474
 H    1.241   4.420  -4.826
 H    4.196   4.611  -5.173
 H    2.278   6.858  -5.692
 H    1.601   5.057  -6.920
 H    4.993   6.762  -5.671
 H    4.677   6.368  -7.360
 H    4.070   7.877  -6.678
 N    2.396   5.611  -2.796
 C    2.381   6.271  -1.461
 C    1.612   5.401  -0.455
 O    0.999   4.420  -0.827
 C    1.677   7.623  -1.592
 C    2.714   8.747  -1.605
 C    2.337   9.767  -2.681
 C    3.473  10.775  -2.856
 N    3.058  11.821  -3.833
 H    1.671   5.017  -3.058
 H    3.393   6.422  -1.116
 H    1.114   7.644  -2.513
 H    1.005   7.764  -0.759
 H    2.733   9.230  -0.639
 H    3.688   8.337  -1.825
 H    2.164   9.255  -3.616
 H    1.439  10.288  -2.385
 H    3.694  11.237  -1.906
 H    4.353  10.267  -3.224
 H    2.167  12.256  -3.517
 H    3.797  12.549  -3.897
 H    2.920  11.387  -4.768
 N    1.656   5.805   0.793
 C    0.956   5.108   1.891
 C   -0.528   5.370   1.818
 O   -1.036   6.350   2.326
 C    1.576   5.705   3.157
 C    2.172   7.071   2.746
 C    2.406   7.006   1.226
 H    1.117   4.039   1.870
 H    0.814   5.840   3.914
 H    2.360   5.063   3.528
 H    1.476   7.864   2.984
 H    3.111   7.235   3.253
 H    2.019   7.895   0.749
 H    3.457   6.886   1.010
 N   -1.219   4.462   1.199
 C   -2.683   4.566   1.091
 C   -3.224   4.733   2.513
 O   -2.491   5.052   3.427
 C   -3.207   3.259   0.489
 S   -3.076   3.298  -1.326
 H   -0.762   3.687   0.821
 H   -2.962   5.408   0.475
 H   -2.620   2.435   0.869
 H   -4.230   3.126   0.780
 N   -4.473   4.491   2.746
 C   -4.966   4.627   4.140
 C   -4.641   3.348   4.919
 O   -5.294   3.038   5.895
 C   -6.476   4.853   4.141
 O   -6.809   5.773   3.111
 H   -5.073   4.206   2.027
 H   -4.477   5.467   4.612
 H   -6.983   3.918   3.967
 H   -6.778   5.248   5.102
 H   -7.642   6.189   3.343
 N   -3.657   2.580   4.500
 C   -3.369   1.320   5.258
 C   -1.888   0.946   5.205
 O   -1.384   0.309   6.109
 C   -4.172   0.178   4.653
 S   -4.305   0.439   2.874
 H   -3.133   2.813   3.688
 H   -3.665   1.451   6.287
 H   -3.669  -0.759   4.846
 H   -5.159   0.157   5.091
 N   -1.177   1.312   4.173
 C    0.239   0.954   4.114
 C    0.942   1.625   5.327
 O    0.290   1.862   6.324
 C    0.791   1.446   2.789
 S   -0.394   1.331   1.409
 H   -1.562   1.818   3.445
 H    0.347  -0.121   4.178
 H    1.112   2.469   2.901
 H    1.632   0.848   2.552
 N    2.232   1.925   5.255
 C    2.930   2.557   6.396
 C    2.481   4.011   6.572
 O    2.187   4.703   5.618
 C    4.408   2.481   6.006
 C    4.430   2.335   4.472
 C    3.112   1.691   4.084
 H    2.761   1.997   7.301
 H    4.919   3.386   6.306
 H    4.871   1.620   6.461
 H    4.497   3.308   4.006
 H    5.239   1.707   4.157
 H    2.743   2.184   3.208
 H    3.238   0.634   3.909
 N    2.428   4.477   7.791
 C    1.999   5.882   8.038
 C    3.071   6.606   8.855
 O    3.631   5.984   9.743
 C    0.681   5.883   8.814
 C    0.175   7.319   8.959
 C   -1.035   7.341   9.893
 C   -1.174   8.731  10.516
 N   -0.114   8.921  11.546
 O    3.315   7.769   8.578
 H    2.670   3.901   8.546
 H    1.862   6.388   7.094
 H   -0.051   5.294   8.281
 H    0.840   5.460   9.794
 H    0.960   7.938   9.370
 H   -0.113   7.699   7.991
 H   -1.928   7.106   9.331
 H   -0.899   6.610  10.676
 H   -1.068   9.482   9.747
 H   -2.146   8.823  10.978
 H    0.818   8.741  11.122
 H   -0.150   9.897  11.904
 H   -0.269   8.257  12.331
 CD   0.973   0.575  -0.588
 CD  -2.248  -0.363   1.671
 CD  -2.633   0.976  -2.251
434
*
 N    7.490   5.800   0.243
 C    8.277   4.535   0.241
 C    7.433   3.407   0.835
 O    6.799   3.573   1.857
 C    9.544   4.718   1.077
 O   10.643   4.978   0.214
 H    6.894   5.835   1.096
 H    8.138   6.612   0.240
 H    6.887   5.836  -0.602
 H    8.548   4.272  -0.777
 H    9.417   5.548   1.751
 H    9.728   3.818   1.649
 H   11.151   4.168   0.130
 N    7.460   2.290   0.160
 C    6.723   1.090   0.554
 C    7.352   0.371   1.729
 O    8.555   0.290   1.882
 C    6.632   0.285  -0.732
 C    7.711   0.842  -1.690
 C    8.241   2.125  -1.075
 H    5.744   1.360   0.838
 H    6.812  -0.761  -0.529
 H    5.665   0.420  -1.161
 H    8.506   0.146  -1.819
 H    7.256   1.087  -2.643
 H    9.295   2.030  -0.852
 H    8.066   2.949  -1.740
 N    6.497  -0.086   2.603
 C    6.949  -0.739   3.846
 C    7.530  -2.129   3.590
 O    7.811  -2.511   2.472
 C    5.775  -0.804   4.830
 S    4.280  -1.507   4.062
 H    5.538   0.052   2.453
 H    7.723  -0.127   4.286
 H    6.056  -1.421   5.669
 H    5.568   0.182   5.183
 N    7.755  -2.859   4.647
 C    8.377  -4.220   4.525
 C    7.336  -5.290   4.186
 O    7.562  -6.469   4.378
 C    9.051  -4.580   5.847
 C    9.675  -3.323   6.455
 C   10.820  -3.721   7.387
 O   11.633  -4.557   7.046
 N   10.919  -3.155   8.558
 H    7.541  -2.491   5.534
 H    9.125  -4.196   3.746
 H    8.316  -4.985   6.527
 H    9.823  -5.314   5.671
 H   10.055  -2.693   5.664
 H    8.926  -2.785   7.016
 H   11.651  -3.401   9.160
 H   10.262  -2.482   8.834
 N    6.213  -4.898   3.676
 C    5.163  -5.893   3.311
 C    4.506  -5.449   2.008
 O    3.469  -5.940   1.611
 C    4.109  -5.926   4.407
 C    4.384  -7.093   5.360
 C    4.019  -8.412   4.676
 C    5.166  -9.410   4.845
 N    5.439  -9.611   6.297
 H    6.057  -3.944   3.521
 H    5.603  -6.872   3.189
 H    4.142  -4.994   4.953
 H    3.138  -6.047   3.957
 H    5.432  -7.102   5.625
 H    3.788  -6.976   6.253
 H    3.122  -8.814   5.126
 H    3.848  -8.238   3.624
 H    4.893 -10.354   4.396
 H    6.052  -9.025   4.363
 H    4.604  -9.331   6.849
 H    5.654 -10.613   6.474
 H    6.251  -9.027   6.581
 N    5.098  -4.489   1.371
 C    4.542  -3.936   0.120
 C    5.426  -4.313  -1.068
 O    4.955  -4.488  -2.173
 C    4.552  -2.427   0.284
 S    2.868  -1.842   0.441
 H    5.907  -4.099   1.737
 H    3.521  -4.284  -0.032
 H    5.098  -2.174   1.182
 H    5.028  -1.958  -0.558
 N    6.708  -4.413  -0.856
 C    7.617  -4.748  -1.989
 C    7.091  -5.961  -2.730
 O    6.332  -5.841  -3.669
 C    9.030  -5.018  -1.465
 O    9.560  -3.825  -0.903
 C    9.927  -5.484  -2.613
 H    7.073  -4.248   0.041
 H    7.632  -3.930  -2.668
 H    8.994  -5.787  -0.708
 H    9.152  -3.080  -1.351
 H    9.355  -6.098  -3.291
 H   10.310  -4.624  -3.143
 H   10.751  -6.058  -2.216
 N    7.453  -7.130  -2.311
 C    6.926  -8.327  -2.997
 C    5.626  -8.705  -2.304
 O    5.262  -9.861  -2.229
 C    7.926  -9.478  -2.886
 O    7.665 -10.214  -1.698
 H    8.049  -7.220  -1.538
 H    6.736  -8.101  -4.036
 H    7.821 -10.130  -3.737
 H    8.931  -9.079  -2.863
 H    7.587  -9.590  -0.974
 N    4.922  -7.732  -1.773
 C    3.653  -8.067  -1.067
 C    2.635  -6.926  -1.160
 O    1.668  -6.905  -0.424
 H    5.238  -6.791  -1.829
 H    3.230  -8.957  -1.509
 H    3.871  -8.260  -0.027
 N    2.810  -5.980  -2.045
 C    1.799  -4.887  -2.120
 C    0.423  -5.518  -2.286
 O    0.105  -6.082  -3.314
 C    2.065  -3.960  -3.303
 S    0.983  -2.512  -3.152
 H    3.581  -5.993  -2.648
 H    1.821  -4.316  -1.203
 H    3.098  -3.646  -3.293
 H    1.849  -4.477  -4.226
 N   -0.387  -5.453  -1.273
 C   -1.737  -6.085  -1.374
 C   -2.850  -5.030  -1.455
 O   -4.016  -5.368  -1.523
 C   -1.970  -6.970  -0.149
 C   -2.202  -8.414  -0.599
 C   -2.957  -9.172   0.492
 C   -2.848 -10.677   0.239
 N   -3.846 -11.082  -0.793
 H   -0.097  -5.011  -0.442
 H   -1.772  -6.700  -2.260
 H   -1.104  -6.927   0.495
 H   -2.838  -6.619   0.389
 H   -2.783  -8.418  -1.510
 H   -1.251  -8.894  -0.776
 H   -2.529  -8.936   1.455
 H   -3.996  -8.881   0.478
 H   -1.854 -10.912  -0.110
 H   -3.043 -11.211   1.157
 H   -4.517 -10.305  -0.950
 H   -3.356 -11.299  -1.683
 H   -4.361 -11.925  -0.464
 N   -2.527  -3.764  -1.433
 C   -3.576  -2.737  -1.491
 C   -4.093  -2.561  -2.922
 O   -3.351  -2.224  -3.824
 C   -2.979  -1.422  -1.019
 S   -1.826  -1.696   0.343
 H   -1.604  -3.478  -1.362
 H   -4.390  -3.013  -0.842
 H   -2.464  -0.943  -1.833
 H   -3.762  -0.802  -0.688
 N   -5.368  -2.749  -3.126
 C   -5.944  -2.552  -4.484
 C   -6.376  -1.089  -4.599
 O   -6.501  -0.538  -5.675
 C   -7.159  -3.465  -4.669
 H   -5.953  -2.992  -2.378
 H   -5.199  -2.773  -5.234
 H   -7.276  -4.090  -3.796
 H   -8.045  -2.862  -4.802
 H   -7.012  -4.086  -5.540
 N   -6.592  -0.461  -3.474
 C   -7.004   0.969  -3.458
 C   -6.670   1.539  -2.079
 O   -6.052   0.882  -1.267
 C   -8.510   1.077  -3.712
 O   -9.019  -0.197  -4.081
 C   -8.767   2.077  -4.840
 H   -6.474  -0.936  -2.626
 H   -6.464   1.514  -4.217
 H   -9.005   1.416  -2.815
 H   -9.935  -0.086  -4.348
 H   -7.849   2.594  -5.080
 H   -9.123   1.552  -5.714
 H   -9.511   2.793  -4.523
 N   -7.068   2.745  -1.798
 C   -6.759   3.321  -0.459
 C   -7.513   2.530   0.610
 O   -7.132   2.506   1.764
 C   -7.190   4.789  -0.410
 C   -6.298   5.616  -1.337
 C   -5.388   6.519  -0.500
 C   -5.270   7.887  -1.172
 N   -5.382   8.959  -0.142
 H   -7.568   3.267  -2.460
 H   -5.695   3.247  -0.273
 H   -8.219   4.872  -0.730
 H   -7.095   5.157   0.600
 H   -5.693   4.954  -1.940
 H   -6.915   6.227  -1.980
 H   -5.809   6.636   0.488
 H   -4.408   6.071  -0.423
 H   -4.313   7.964  -1.668
 H   -6.061   8.001  -1.898
 H   -5.207   8.555   0.800
 H   -4.680   9.702  -0.338
 H   -6.337   9.367  -0.170
 N   -8.577   1.874   0.233
 C   -9.348   1.075   1.226
 C   -8.453  -0.042   1.765
 O   -8.212  -0.140   2.952
 C  -10.578   0.470   0.546
 C  -11.801   0.651   1.446
 C  -12.942   1.277   0.642
 O  -12.790   2.411   0.220
 O  -13.949   0.612   0.463
 H   -8.863   1.901  -0.703
 H   -9.661   1.713   2.039
 H  -10.748   0.967  -0.398
 H  -10.413  -0.583   0.374
 H  -12.112  -0.311   1.828
 H  -11.547   1.300   2.271
 N   -7.947  -0.878   0.898
 C   -7.053  -1.979   1.357
 C   -5.737  -1.371   1.838
 O   -5.019  -1.952   2.625
 C   -6.784  -2.930   0.192
 C   -8.104  -3.266  -0.500
 C   -8.431  -4.745  -0.287
 O   -7.963  -5.554  -1.071
 O   -9.144  -5.043   0.658
 H   -8.146  -0.774  -0.056
 H   -7.524  -2.516   2.167
 H   -6.119  -2.452  -0.512
 H   -6.330  -3.836   0.562
 H   -8.892  -2.657  -0.081
 H   -8.016  -3.065  -1.557
 N   -5.427  -0.199   1.362
 C   -4.170   0.486   1.775
 C   -4.244   0.849   3.243
 O   -3.253   0.909   3.933
 C   -4.032   1.769   0.989
 S   -2.335   2.371   1.139
 H   -6.028   0.238   0.725
 H   -3.319  -0.147   1.595
 H   -4.275   1.581  -0.036
 H   -4.711   2.507   1.388
 N   -5.420   1.092   3.717
 C   -5.587   1.454   5.152
 C   -5.350   0.207   6.003
 O   -5.380   0.247   7.216
 C   -7.007   1.971   5.385
 O   -7.044   3.369   5.132
 H   -6.196   1.028   3.125
 H   -4.873   2.219   5.420
 H   -7.687   1.472   4.716
 H   -7.298   1.771   6.408
 H   -6.288   3.768   5.568
 N   -5.135  -0.906   5.360
 C   -4.917  -2.176   6.080
 C   -3.424  -2.391   6.369
 O   -3.041  -2.685   7.484
 C   -5.438  -3.296   5.187
 C   -5.951  -4.443   6.051
 C   -5.320  -5.758   5.587
 C   -4.033  -6.012   6.374
 N   -2.881  -6.078   5.431
 H   -5.138  -0.913   4.390
 H   -5.469  -2.168   7.004
 H   -6.247  -2.912   4.575
 H   -4.643  -3.645   4.549
 H   -5.687  -4.258   7.081
 H   -7.024  -4.508   5.959
 H   -6.013  -6.569   5.757
 H   -5.089  -5.695   4.534
 H   -3.877  -5.208   7.078
 H   -4.116  -6.947   6.908
 H   -2.814  -5.186   4.901
 H   -2.002  -6.230   5.967
 H   -3.023  -6.863   4.764
 N   -2.576  -2.264   5.380
 C   -1.118  -2.484   5.625
 C   -0.385  -1.151   5.722
 O    0.745  -1.076   6.165
 C   -0.522  -3.317   4.488
 O    0.895  -3.238   4.540
 C   -1.014  -2.776   3.145
 H   -2.897  -2.037   4.482
 H   -0.999  -3.006   6.550
 H   -0.831  -4.345   4.593
 H    1.169  -2.472   4.030
 H   -1.369  -1.764   3.273
 H   -0.201  -2.784   2.433
 H   -1.819  -3.396   2.779
 N   -1.024  -0.105   5.323
 C   -0.379   1.242   5.400
 C   -1.453   2.307   5.612
 O   -2.606   2.010   5.853
 C    0.395   1.577   4.107
 S    0.564   0.119   3.042
 H   -1.934  -0.206   4.984
 H    0.304   1.259   6.237
 H   -0.137   2.346   3.567
 H    1.377   1.945   4.368
 N   -1.076   3.548   5.519
 C   -2.061   4.648   5.702
 C   -2.060   5.538   4.462
 O   -2.904   6.394   4.287
 C   -1.669   5.478   6.921
 O   -1.242   4.614   7.965
 C   -2.868   6.304   7.392
 H   -0.138   3.757   5.326
 H   -3.036   4.231   5.838
 H   -0.864   6.142   6.649
 H   -0.333   4.835   8.180
 H   -3.303   6.822   6.550
 H   -3.606   5.649   7.832
 H   -2.541   7.023   8.128
 N   -1.106   5.337   3.611
 C   -0.999   6.154   2.373
 C   -0.435   5.282   1.246
 O   -0.018   4.166   1.481
 C   -0.044   7.320   2.640
 C   -0.846   8.600   2.878
 C   -0.183   9.764   2.139
 C   -0.745  11.087   2.663
 N   -1.723  11.635   1.682
 H   -0.448   4.647   3.794
 H   -1.972   6.533   2.096
 H    0.549   7.100   3.516
 H    0.608   7.455   1.791
 H   -1.855   8.467   2.514
 H   -0.870   8.816   3.935
 H    0.884   9.734   2.305
 H   -0.386   9.682   1.082
 H   -1.240  10.918   3.609
 H    0.062  11.791   2.800
 H   -2.492  10.951   1.539
 H   -2.116  12.528   2.046
 H   -1.245  11.810   0.776
 N   -0.421   5.826   0.056
 C    0.108   5.127  -1.128
 C    1.617   5.082  -1.083
 O    2.300   5.997  -1.498
 C   -0.398   5.963  -2.306
 C   -0.712   7.366  -1.740
 C   -0.926   7.188  -0.223
 H   -0.266   4.118  -1.207
 H    0.367   6.028  -3.069
 H   -1.295   5.525  -2.715
 H    0.118   8.034  -1.925
 H   -1.611   7.755  -2.191
 H   -0.360   7.927   0.323
 H   -1.975   7.254   0.022
 N    2.125   3.989  -0.599
 C    3.585   3.789  -0.544
 C    4.115   4.038  -1.958
 O    3.439   4.606  -2.789
 C    3.855   2.333  -0.139
 S    3.765   2.148   1.673
 H    1.532   3.280  -0.291
 H    4.038   4.470   0.160
 H    3.111   1.696  -0.597
 H    4.830   2.045  -0.492
 N    5.285   3.599  -2.283
 C    5.749   3.831  -3.674
 C    5.154   2.759  -4.595
 O    5.715   2.447  -5.626
 C    7.274   3.770  -3.732
 O    7.720   4.274  -4.985
 H    5.839   3.109  -1.640
 H    5.418   4.806  -4.002
 H    7.689   4.371  -2.942
 H    7.597   2.744  -3.609
 H    7.394   3.691  -5.674
 N    4.033   2.166  -4.239
 C    3.477   1.102  -5.134
 C    1.952   1.003  -5.043
 O    1.306   0.613  -5.995
 C    4.061  -0.245  -4.730
 S    4.295  -0.265  -2.941
 H    3.581   2.397  -3.388
 H    3.759   1.314  -6.153
 H    3.381  -1.034  -5.015
 H    5.011  -0.390  -5.220
 N    1.357   1.326  -3.927
 C   -0.096   1.217  -3.833
 C   -0.715   2.163  -4.892
 O   -0.053   2.480  -5.860
 C   -0.514   1.599  -2.424
 S    0.706   1.166  -1.145
 H    1.851   1.635  -3.159
 H   -0.398   0.198  -4.037
 H   -0.705   2.656  -2.395
 H   -1.413   1.082  -2.208
 N   -1.953   2.594  -4.718
 C   -2.601   3.489  -5.700
 C   -2.035   4.907  -5.605
 O   -1.037   5.149  -4.958
 C   -4.074   3.466  -5.292
 C   -4.092   3.047  -3.808
 C   -2.821   2.260  -3.565
 H   -2.491   3.100  -6.699
 H   -4.507   4.450  -5.412
 H   -4.615   2.743  -5.882
 H   -4.087   3.923  -3.173
 H   -4.939   2.429  -3.593
 H   -2.392   2.593  -2.640
 H   -3.024   1.201  -3.537
 N   -2.673   5.845  -6.250
 C   -2.186   7.251  -6.208
 C   -2.108   7.720  -4.753
 O   -3.085   7.549  -4.043
 C   -3.154   8.150  -6.983
 C   -3.569   7.460  -8.285
 C   -4.253   8.473  -9.204
 C   -5.682   8.720  -8.715
 N   -6.331   9.747  -9.578
 O   -1.073   8.243  -4.375
 H   -3.476   5.621  -6.764
 H   -1.205   7.306  -6.658
 H   -4.031   8.338  -6.380
 H   -2.670   9.086  -7.214
 H   -2.695   7.059  -8.776
 H   -4.258   6.659  -8.066
 H   -3.701   9.402  -9.191
 H   -4.282   8.084 -10.211
 H   -6.244   7.799  -8.766
 H   -5.657   9.071  -7.694
 H   -5.834   9.796 -10.491
 H   -7.325   9.489  -9.736
 H   -6.285  10.672  -9.108
 CD  -0.681   0.483   0.867
 CD   2.160  -0.808  -1.726
 CD   2.946  -0.172   2.324
434
*
 N    6.590   7.212  -0.560
 C    7.535   6.081  -0.338
 C    6.826   4.962   0.423
 O    6.080   5.211   1.350
 C    8.735   6.566   0.472
 O    9.890   5.838   0.076
 H    6.213   7.534   0.353
 H    7.091   7.996  -1.022
 H    5.807   6.894  -1.166
 H    7.873   5.694  -1.292
 H    8.896   7.615   0.289
 H    8.542   6.411   1.526
 H   10.321   5.513   0.869
 N    7.079   3.758  -0.011
 C    6.493   2.555   0.571
 C    7.165   2.125   1.858
 O    8.348   2.300   2.071
 C    6.561   1.541  -0.562
 C    7.607   2.072  -1.573
 C    7.979   3.480  -1.140
 H    5.481   2.737   0.789
 H    6.862   0.575  -0.180
 H    5.604   1.472  -1.034
 H    8.475   1.456  -1.588
 H    7.158   2.128  -2.559
 H    9.014   3.517  -0.825
 H    7.800   4.168  -1.942
 N    6.357   1.621   2.750
 C    6.842   1.227   4.085
 C    7.713  -0.033   4.034
 O    8.198  -0.432   2.994
 C    5.635   1.043   5.014
 S    4.344   0.007   4.256
 H    5.401   1.548   2.546
 H    7.445   2.036   4.475
 H    5.961   0.578   5.930
 H    5.231   2.004   5.242
 N    7.957  -0.620   5.174
 C    8.854  -1.824   5.241
 C    8.116  -3.112   4.888
 O    8.597  -4.201   5.133
 C    9.415  -1.946   6.655
 C    8.345  -2.476   7.620
 C    7.495  -1.315   8.134
 O    7.957  -0.194   8.210
 N    6.260  -1.539   8.495
 H    7.579  -0.239   5.998
 H    9.674  -1.688   4.553
 H   10.250  -2.626   6.641
 H    9.744  -0.975   6.986
 H    7.713  -3.188   7.115
 H    8.829  -2.958   8.457
 H    5.706  -0.804   8.829
 H    5.889  -2.444   8.434
 N    6.966  -3.003   4.326
 C    6.195  -4.227   3.960
 C    5.574  -4.044   2.580
 O    4.800  -4.857   2.115
 C    5.083  -4.437   4.980
 C    5.598  -5.304   6.130
 C    4.840  -6.632   6.146
 C    3.970  -6.706   7.401
 N    4.689  -7.474   8.457
 H    6.606  -2.115   4.145
 H    6.850  -5.083   3.953
 H    4.766  -3.476   5.361
 H    4.250  -4.928   4.503
 H    6.654  -5.493   5.994
 H    5.442  -4.790   7.067
 H    4.215  -6.700   5.268
 H    5.546  -7.450   6.151
 H    3.766  -5.708   7.758
 H    3.040  -7.202   7.166
 H    5.088  -8.341   8.045
 H    5.456  -6.890   8.848
 H    4.025  -7.727   9.215
 N    5.894  -2.966   1.941
 C    5.329  -2.674   0.611
 C    6.355  -2.985  -0.473
 O    6.013  -3.318  -1.591
 C    5.019  -1.192   0.594
 S    3.242  -0.965   0.667
 H    6.501  -2.324   2.348
 H    4.419  -3.243   0.451
 H    5.473  -0.727   1.457
 H    5.413  -0.740  -0.296
 N    7.613  -2.857  -0.160
 C    8.656  -3.123  -1.188
 C    8.396  -4.457  -1.854
 O    7.675  -4.540  -2.829
 C   10.045  -3.108  -0.542
 O   10.293  -1.820   0.003
 C   11.111  -3.433  -1.592
 H    7.868  -2.571   0.747
 H    8.596  -2.369  -1.934
 H   10.084  -3.845   0.245
 H   10.625  -1.934   0.897
 H   10.951  -2.824  -2.469
 H   12.090  -3.227  -1.185
 H   11.046  -4.477  -1.861
 N    8.937  -5.510  -1.336
 C    8.669  -6.825  -1.951
 C    7.420  -7.386  -1.287
 O    7.259  -8.584  -1.158
 C    9.851  -7.765  -1.711
 O   10.568  -7.334  -0.562
 H    9.501  -5.439  -0.538
 H    8.499  -6.707  -3.011
 H    9.491  -8.768  -1.549
 H   10.500  -7.755  -2.578
 H   10.761  -8.106  -0.025
 N    6.532  -6.526  -0.839
 C    5.310  -7.051  -0.163
 C    4.100  -6.126  -0.344
 O    3.172  -6.176   0.437
 H    6.681  -5.546  -0.935
 H    5.072  -8.021  -0.575
 H    5.513  -7.160   0.892
 N    4.066  -5.296  -1.354
 C    2.864  -4.426  -1.512
 C    1.630  -5.322  -1.518
 O    1.419  -6.097  -2.429
 C    2.919  -3.638  -2.820
 S    1.588  -2.405  -2.810
 H    4.804  -5.257  -1.998
 H    2.805  -3.741  -0.678
 H    3.874  -3.140  -2.903
 H    2.786  -4.309  -3.655
 N    0.826  -5.249  -0.497
 C   -0.376  -6.132  -0.444
 C   -1.659  -5.351  -0.750
 O   -2.726  -5.927  -0.835
 C   -0.487  -6.750   0.950
 C   -1.351  -8.010   0.884
 C   -0.766  -9.076   1.812
 C   -0.796 -10.437   1.115
 N    0.544 -10.726   0.531
 H    1.028  -4.632   0.242
 H   -0.264  -6.924  -1.169
 H    0.500  -7.009   1.307
 H   -0.940  -6.040   1.624
 H   -2.358  -7.772   1.196
 H   -1.366  -8.385  -0.129
 H    0.255  -8.819   2.055
 H   -1.351  -9.125   2.718
 H   -1.048 -11.204   1.834
 H   -1.536 -10.424   0.329
 H    0.989  -9.838   0.225
 H    1.143 -11.185   1.249
 H    0.438 -11.358  -0.287
 N   -1.589  -4.057  -0.904
 C   -2.806  -3.286  -1.182
 C   -3.254  -3.504  -2.625
 O   -2.574  -3.134  -3.562
 C   -2.502  -1.814  -0.958
 S   -1.429  -1.611   0.479
 H   -0.748  -3.584  -0.826
 H   -3.590  -3.595  -0.509
 H   -2.022  -1.398  -1.826
 H   -3.410  -1.313  -0.784
 N   -4.406  -4.081  -2.808
 C   -4.920  -4.303  -4.187
 C   -5.699  -3.059  -4.602
 O   -5.840  -2.751  -5.768
 C   -5.846  -5.521  -4.203
 H   -4.943  -4.352  -2.035
 H   -4.093  -4.460  -4.864
 H   -6.494  -5.492  -3.339
 H   -6.444  -5.505  -5.101
 H   -5.254  -6.423  -4.179
 N   -6.190  -2.336  -3.636
 C   -6.950  -1.093  -3.922
 C   -6.830  -0.182  -2.702
 O   -6.365  -0.598  -1.663
 C   -8.422  -1.430  -4.177
 O   -8.880  -2.326  -3.174
 C   -8.566  -2.084  -5.552
 H   -6.045  -2.611  -2.706
 H   -6.531  -0.601  -4.788
 H   -9.011  -0.526  -4.149
 H   -9.517  -2.921  -3.577
 H   -7.928  -2.952  -5.605
 H   -9.593  -2.381  -5.704
 H   -8.279  -1.378  -6.318
 N   -7.236   1.049  -2.807
 C   -7.125   1.958  -1.631
 C   -7.873   1.346  -0.445
 O   -7.657   1.712   0.692
 C   -7.736   3.317  -1.977
 C   -9.030   3.107  -2.767
 C   -8.917   3.809  -4.121
 C  -10.293   3.861  -4.788
 N  -10.219   4.715  -6.007
 H   -7.608   1.376  -3.653
 H   -6.081   2.083  -1.368
 H   -7.951   3.857  -1.067
 H   -7.039   3.883  -2.577
 H   -9.191   2.050  -2.921
 H   -9.861   3.522  -2.217
 H   -8.550   4.814  -3.974
 H   -8.233   3.263  -4.753
 H  -10.597   2.863  -5.065
 H  -11.012   4.279  -4.098
 H   -9.228   4.807  -6.305
 H  -10.773   4.276  -6.771
 H  -10.604   5.657  -5.794
 N   -8.748   0.411  -0.701
 C   -9.501  -0.225   0.416
 C   -8.534  -1.050   1.265
 O   -8.593  -1.042   2.478
 C  -10.587  -1.138  -0.154
 C  -11.868  -0.977   0.664
 C  -13.083  -1.195  -0.239
 O  -12.909  -1.173  -1.446
 O  -14.166  -1.378   0.292
 H   -8.905   0.126  -1.625
 H   -9.956   0.541   1.026
 H  -10.779  -0.871  -1.183
 H  -10.257  -2.165  -0.104
 H  -11.878  -1.703   1.464
 H  -11.906   0.019   1.081
 N   -7.637  -1.756   0.633
 C   -6.657  -2.575   1.396
 C   -5.489  -1.678   1.806
 O   -4.777  -1.952   2.750
 C   -6.142  -3.715   0.513
 C   -7.299  -4.312  -0.295
 C   -7.963  -5.430   0.509
 O   -7.891  -5.380   1.727
 O   -8.533  -6.316  -0.105
 H   -7.604  -1.740  -0.346
 H   -7.130  -2.983   2.278
 H   -5.393  -3.332  -0.163
 H   -5.708  -4.483   1.135
 H   -8.026  -3.544  -0.512
 H   -6.919  -4.715  -1.220
 N   -5.297  -0.602   1.092
 C   -4.190   0.342   1.414
 C   -4.422   0.969   2.774
 O   -3.504   1.299   3.490
 C   -4.181   1.463   0.402
 S   -2.639   2.382   0.588
 H   -5.888  -0.412   0.337
 H   -3.244  -0.172   1.394
 H   -4.261   1.054  -0.584
 H   -5.016   2.121   0.589
 N   -5.652   1.156   3.119
 C   -5.976   1.783   4.432
 C   -5.723   0.778   5.556
 O   -5.983   1.043   6.713
 C   -7.446   2.191   4.442
 O   -7.541   3.607   4.382
 H   -6.366   0.890   2.503
 H   -5.357   2.656   4.579
 H   -7.943   1.764   3.587
 H   -7.911   1.824   5.347
 H   -7.528   3.867   3.458
 N   -5.240  -0.383   5.219
 C   -4.992  -1.420   6.237
 C   -3.488  -1.555   6.509
 O   -3.078  -1.846   7.615
 C   -5.553  -2.728   5.695
 C   -5.204  -3.866   6.641
 C   -6.444  -4.731   6.876
 C   -6.284  -6.064   6.144
 N   -7.272  -7.044   6.676
 H   -5.061  -0.586   4.288
 H   -5.501  -1.159   7.150
 H   -6.627  -2.645   5.606
 H   -5.127  -2.924   4.721
 H   -4.419  -4.463   6.202
 H   -4.867  -3.457   7.580
 H   -6.561  -4.912   7.935
 H   -7.317  -4.219   6.499
 H   -6.456  -5.917   5.088
 H   -5.284  -6.441   6.297
 H   -8.183  -6.570   6.830
 H   -7.394  -7.819   5.992
 H   -6.928  -7.429   7.579
 N   -2.658  -1.346   5.521
 C   -1.189  -1.466   5.762
 C   -0.548  -0.085   5.723
 O    0.533   0.133   6.232
 C   -0.552  -2.362   4.698
 O    0.798  -1.966   4.496
 C   -1.328  -2.229   3.388
 H   -2.995  -1.109   4.632
 H   -1.033  -1.889   6.728
 H   -0.581  -3.388   5.027
 H    1.081  -2.301   3.642
 H   -2.356  -2.516   3.550
 H   -1.289  -1.205   3.048
 H   -0.887  -2.874   2.641
 N   -1.224   0.842   5.137
 C   -0.691   2.237   5.060
 C   -1.852   3.227   5.155
 O   -2.988   2.854   5.373
 C    0.054   2.483   3.735
 S    0.481   0.921   2.924
 H   -2.093   0.620   4.759
 H   -0.015   2.404   5.886
 H   -0.576   3.061   3.076
 H    0.959   3.039   3.935
 N   -1.570   4.489   4.982
 C   -2.645   5.519   5.049
 C   -2.765   6.212   3.696
 O   -3.672   6.981   3.448
 C   -2.285   6.553   6.112
 O   -2.081   5.901   7.356
 C   -3.417   7.574   6.243
 H   -0.646   4.761   4.802
 H   -3.575   5.050   5.292
 H   -1.380   7.060   5.816
 H   -1.515   5.141   7.203
 H   -4.362   7.095   6.033
 H   -3.430   7.970   7.248
 H   -3.257   8.380   5.542
 N   -1.843   5.945   2.827
 C   -1.864   6.579   1.476
 C   -1.146   5.662   0.477
 O   -0.623   4.631   0.853
 C   -1.147   7.942   1.522
 C   -0.593   8.213   2.926
 C    0.520   9.261   2.844
 C    1.865   8.565   2.633
 N    2.414   8.139   3.950
 H   -1.128   5.329   3.069
 H   -2.887   6.721   1.160
 H   -0.332   7.940   0.814
 H   -1.847   8.722   1.260
 H   -1.386   8.579   3.560
 H   -0.193   7.299   3.338
 H    0.326   9.930   2.017
 H    0.550   9.826   3.764
 H    1.729   7.697   2.003
 H    2.555   9.249   2.160
 H    1.711   7.555   4.446
 H    3.284   7.587   3.802
 H    2.629   8.979   4.524
 N   -1.134   6.071  -0.769
 C   -0.479   5.312  -1.850
 C    1.020   5.474  -1.768
 O    1.596   6.414  -2.276
 C   -1.052   5.930  -3.129
 C   -1.559   7.340  -2.744
 C   -1.767   7.331  -1.216
 H   -0.716   4.259  -1.812
 H   -0.280   6.001  -3.884
 H   -1.875   5.335  -3.493
 H   -0.824   8.085  -3.018
 H   -2.496   7.544  -3.237
 H   -1.278   8.184  -0.770
 H   -2.818   7.327  -0.977
 N    1.645   4.524  -1.139
 C    3.113   4.531  -1.022
 C    3.672   4.664  -2.440
 O    2.969   5.025  -3.360
 C    3.549   3.191  -0.417
 S    3.376   3.226   1.400
 H    1.135   3.783  -0.759
 H    3.442   5.352  -0.403
 H    2.927   2.406  -0.817
 H    4.572   3.001  -0.688
 N    4.904   4.348  -2.662
 C    5.412   4.454  -4.053
 C    5.011   3.199  -4.837
 O    5.674   2.824  -5.783
 C    6.935   4.585  -4.046
 O    7.371   5.059  -5.313
 H    5.481   4.027  -1.939
 H    4.980   5.323  -4.526
 H    7.235   5.286  -3.286
 H    7.378   3.619  -3.839
 H    7.498   4.299  -5.886
 N    3.946   2.522  -4.454
 C    3.580   1.283  -5.214
 C    2.080   0.983  -5.147
 O    1.527   0.406  -6.062
 C    4.331   0.095  -4.625
 S    4.517   0.346  -2.848
 H    3.414   2.807  -3.668
 H    3.871   1.403  -6.246
 H    3.771  -0.811  -4.806
 H    5.305   0.017  -5.083
 N    1.404   1.347  -4.094
 C   -0.025   1.054  -4.023
 C   -0.718   1.797  -5.191
 O   -0.062   2.104  -6.166
 C   -0.540   1.530  -2.680
 S    0.682   1.435  -1.335
 H    1.822   1.810  -3.358
 H   -0.189  -0.012  -4.118
 H   -0.879   2.545  -2.783
 H   -1.365   0.917  -2.421
 N   -2.009   2.073  -5.095
 C   -2.726   2.777  -6.178
 C   -2.351   4.260  -6.201
 O   -1.482   4.704  -5.478
 C   -4.199   2.598  -5.812
 C   -4.224   2.323  -4.296
 C   -2.874   1.734  -3.940
 H   -2.525   2.316  -7.132
 H   -4.751   3.501  -6.041
 H   -4.618   1.758  -6.342
 H   -4.355   3.248  -3.751
 H   -4.995   1.624  -4.044
 H   -2.531   2.202  -3.038
 H   -2.942   0.664  -3.819
 N   -3.005   5.028  -7.030
 C   -2.693   6.482  -7.107
 C   -3.522   7.239  -6.068
 O   -2.965   8.103  -5.411
 C   -3.029   6.998  -8.508
 C   -2.186   8.238  -8.810
 C   -1.100   7.880  -9.825
 C    0.037   8.899  -9.735
 N   -0.426  10.206 -10.280
 O   -4.699   6.942  -5.946
 H   -3.702   4.646  -7.603
 H   -1.643   6.636  -6.910
 H   -2.814   6.229  -9.235
 H   -4.076   7.257  -8.557
 H   -2.819   9.013  -9.218
 H   -1.724   8.590  -7.901
 H   -0.719   6.892  -9.611
 H   -1.518   7.897 -10.820
 H    0.328   9.022  -8.702
 H    0.882   8.548 -10.308
 H   -1.265  10.054 -10.879
 H   -0.672  10.843  -9.497
 H    0.332  10.634 -10.848
 CD  -0.690   0.785   0.688
 CD   2.437  -0.355  -1.622
 CD   2.914   0.901   2.323
434
*
 N   -6.577   7.318   1.482
 C   -7.578   6.512   0.729
 C   -6.851   5.461  -0.111
 O   -6.106   5.787  -1.014
 C   -8.391   7.428  -0.183
 O   -8.896   6.675  -1.277
 H   -6.005   6.688   2.080
 H   -5.958   7.817   0.811
 H   -7.069   8.012   2.079
 H   -8.238   6.007   1.427
 H   -9.214   7.848   0.370
 H   -7.756   8.228  -0.544
 H   -9.143   5.807  -0.950
 N   -7.093   4.226   0.234
 C   -6.491   3.068  -0.428
 C   -7.087   2.755  -1.788
 O   -8.243   2.998  -2.073
 C   -6.624   1.958   0.603
 C   -7.702   2.410   1.617
 C   -8.000   3.870   1.335
 H   -5.465   3.256  -0.571
 H   -6.927   1.040   0.118
 H   -5.688   1.823   1.101
 H   -8.592   1.833   1.513
 H   -7.308   2.332   2.623
 H   -9.032   3.994   1.036
 H   -7.782   4.467   2.202
 N   -6.232   2.272  -2.650
 C   -6.619   1.983  -4.048
 C   -7.537   0.759  -4.159
 O   -8.129   0.311  -3.197
 C   -5.343   1.792  -4.881
 S   -4.209   0.597  -4.105
 H   -5.299   2.144  -2.375
 H   -7.150   2.840  -4.437
 H   -5.609   1.432  -5.861
 H   -4.853   2.735  -4.986
 N   -7.689   0.260  -5.358
 C   -8.607  -0.903  -5.612
 C   -7.943  -2.239  -5.290
 O   -8.381  -3.283  -5.731
 C   -8.990  -0.913  -7.082
 C   -7.726  -1.001  -7.941
 C   -8.115  -1.115  -9.416
 O   -8.276  -0.119 -10.092
 N   -8.275  -2.297  -9.947
 H   -7.218   0.681  -6.109
 H   -9.500  -0.793  -5.015
 H   -9.617  -1.768  -7.276
 H   -9.521  -0.008  -7.316
 H   -7.128  -0.113  -7.794
 H   -7.154  -1.871  -7.654
 H   -8.522  -2.382 -10.891
 H   -8.145  -3.101  -9.401
 N   -6.901  -2.218  -4.540
 C   -6.202  -3.491  -4.194
 C   -5.679  -3.407  -2.766
 O   -4.880  -4.211  -2.330
 C   -5.022  -3.672  -5.135
 C   -5.386  -4.663  -6.241
 C   -4.284  -5.716  -6.366
 C   -4.908  -7.112  -6.329
 N   -4.638  -7.811  -7.617
 H   -6.571  -1.363  -4.206
 H   -6.881  -4.325  -4.291
 H   -4.771  -2.715  -5.570
 H   -4.180  -4.046  -4.575
 H   -6.322  -5.146  -5.998
 H   -5.486  -4.137  -7.178
 H   -3.760  -5.579  -7.301
 H   -3.591  -5.612  -5.545
 H   -4.477  -7.677  -5.516
 H   -5.975  -7.026  -6.182
 H   -3.887  -7.309  -8.133
 H   -4.333  -8.786  -7.426
 H   -5.505  -7.824  -8.191
 N   -6.098  -2.410  -2.057
 C   -5.625  -2.204  -0.675
 C   -6.747  -2.472   0.321
 O   -6.516  -2.932   1.422
 C   -5.221  -0.748  -0.573
 S   -3.435  -0.636  -0.482
 H   -6.710  -1.766  -2.447
 H   -4.772  -2.837  -0.466
 H   -5.563  -0.225  -1.455
 H   -5.663  -0.298   0.294
 N   -7.957  -2.160  -0.039
 C   -9.077  -2.367   0.909
 C   -9.029  -3.771   1.485
 O   -8.450  -3.996   2.530
 C  -10.397  -2.115   0.185
 O  -11.455  -2.765   0.876
 C  -10.307  -2.645  -1.247
 H   -8.127  -1.764  -0.924
 H   -8.971  -1.680   1.714
 H  -10.580  -1.055   0.153
 H  -11.904  -2.109   1.415
 H   -9.389  -3.201  -1.366
 H  -11.148  -3.293  -1.445
 H  -10.319  -1.817  -1.939
 N   -9.595  -4.725   0.824
 C   -9.530  -6.099   1.356
 C   -8.267  -6.740   0.797
 O   -8.184  -7.943   0.648
 C  -10.757  -6.885   0.896
 O  -11.144  -6.433  -0.395
 H  -10.043  -4.547  -0.025
 H   -9.486  -6.076   2.435
 H  -10.518  -7.934   0.848
 H  -11.565  -6.733   1.600
 H  -11.715  -7.099  -0.785
 N   -7.280  -5.940   0.461
 C   -6.040  -6.538  -0.113
 C   -4.790  -5.704   0.203
 O   -3.848  -5.704  -0.563
 H   -7.366  -4.955   0.572
 H   -5.910  -7.531   0.289
 H   -6.150  -6.607  -1.186
 N   -4.734  -5.011   1.312
 C   -3.490  -4.234   1.592
 C   -2.327  -5.218   1.653
 O   -2.242  -6.042   2.542
 C   -3.588  -3.482   2.920
 S   -2.179  -2.343   3.052
 H   -5.481  -5.015   1.948
 H   -3.319  -3.530   0.789
 H   -4.513  -2.923   2.953
 H   -3.560  -4.187   3.738
 N   -1.449  -5.165   0.695
 C   -0.311  -6.129   0.676
 C    0.995  -5.451   1.115
 O    2.012  -6.100   1.254
 C   -0.166  -6.675  -0.752
 C    1.237  -7.253  -0.969
 C    1.362  -7.750  -2.410
 C    2.241  -6.785  -3.209
 N    1.785  -6.753  -4.627
 H   -1.555  -4.509  -0.029
 H   -0.529  -6.947   1.346
 H   -0.900  -7.451  -0.913
 H   -0.333  -5.875  -1.458
 H    1.974  -6.484  -0.790
 H    1.399  -8.076  -0.289
 H    1.808  -8.734  -2.415
 H    0.382  -7.796  -2.861
 H    2.164  -5.794  -2.785
 H    3.268  -7.115  -3.168
 H    1.532  -7.716  -4.931
 H    0.955  -6.132  -4.712
 H    2.550  -6.390  -5.229
 N    0.997  -4.163   1.318
 C    2.238  -3.485   1.711
 C    2.563  -3.736   3.185
 O    1.840  -3.327   4.072
 C    2.057  -1.992   1.487
 S    1.093  -1.684  -0.007
 H    0.197  -3.631   1.194
 H    3.049  -3.839   1.098
 H    1.556  -1.551   2.330
 H    3.009  -1.557   1.378
 N    3.671  -4.370   3.449
 C    4.076  -4.609   4.861
 C    4.927  -3.417   5.301
 O    5.043  -3.106   6.469
 C    4.902  -5.895   4.954
 H    4.253  -4.663   2.717
 H    3.199  -4.686   5.486
 H    4.558  -6.600   4.211
 H    5.943  -5.668   4.779
 H    4.788  -6.325   5.938
 N    5.511  -2.745   4.346
 C    6.355  -1.557   4.639
 C    6.325  -0.645   3.416
 O    5.571  -0.865   2.489
 C    7.795  -2.001   4.909
 O    7.804  -3.370   5.291
 C    8.389  -1.150   6.031
 H    5.386  -3.023   3.415
 H    5.968  -1.029   5.497
 H    8.384  -1.872   4.014
 H    7.782  -3.410   6.250
 H    7.961  -0.160   5.995
 H    8.167  -1.605   6.985
 H    9.460  -1.084   5.903
 N    7.135   0.371   3.391
 C    7.137   1.274   2.208
 C    7.794   0.550   1.032
 O    7.541   0.855  -0.116
 C    7.907   2.557   2.533
 C    9.408   2.266   2.571
 C   10.173   3.575   2.777
 C   10.893   3.541   4.126
 N   12.338   3.842   3.926
 H    7.742   0.535   4.143
 H    6.115   1.520   1.945
 H    7.704   3.298   1.774
 H    7.591   2.932   3.495
 H    9.624   1.589   3.386
 H    9.712   1.817   1.638
 H   10.898   3.697   1.984
 H    9.481   4.403   2.762
 H   10.459   4.279   4.784
 H   10.787   2.561   4.566
 H   12.685   3.335   3.087
 H   12.463   4.864   3.786
 H   12.875   3.537   4.764
 N    8.625  -0.421   1.306
 C    9.277  -1.172   0.197
 C    8.188  -1.858  -0.629
 O    8.171  -1.782  -1.841
 C   10.224  -2.229   0.776
 C   11.589  -2.118   0.095
 C   12.623  -2.922   0.888
 O   12.376  -4.092   1.130
 O   13.644  -2.353   1.238
 H    8.809  -0.663   2.238
 H    9.832  -0.489  -0.428
 H   10.336  -2.069   1.838
 H    9.815  -3.213   0.600
 H   11.522  -2.508  -0.910
 H   11.891  -1.082   0.061
 N    7.272  -2.518   0.026
 C    6.172  -3.203  -0.708
 C    5.145  -2.157  -1.147
 O    4.460  -2.318  -2.135
 C    5.504  -4.225   0.212
 C    6.575  -5.040   0.939
 C    6.877  -6.314   0.144
 O    6.014  -6.739  -0.606
 O    7.967  -6.841   0.299
 H    7.305  -2.558   1.005
 H    6.573  -3.703  -1.578
 H    4.893  -3.708   0.938
 H    4.885  -4.888  -0.374
 H    7.475  -4.450   1.031
 H    6.218  -5.307   1.921
 N    5.039  -1.085  -0.411
 C    4.069  -0.009  -0.768
 C    4.453   0.609  -2.101
 O    3.627   1.095  -2.839
 C    4.138   1.082   0.276
 S    2.691   2.152   0.100
 H    5.603  -0.984   0.384
 H    3.069  -0.407  -0.815
 H    4.163   0.639   1.250
 H    5.035   1.663   0.125
 N    5.714   0.603  -2.395
 C    6.197   1.201  -3.676
 C    5.840   0.279  -4.840
 O    6.192   0.528  -5.977
 C    7.714   1.365  -3.612
 O    8.041   2.749  -3.605
 H    6.348   0.207  -1.763
 H    5.736   2.166  -3.823
 H    8.087   0.907  -2.712
 H    8.161   0.882  -4.471
 H    8.831   2.865  -3.072
 N    5.160  -0.792  -4.561
 C    4.790  -1.747  -5.623
 C    3.307  -1.588  -5.982
 O    2.942  -1.593  -7.141
 C    5.050  -3.152  -5.091
 C    4.410  -4.186  -6.017
 C    5.503  -5.028  -6.677
 C    6.267  -4.168  -7.688
 N    7.614  -3.838  -7.143
 H    4.904  -0.981  -3.644
 H    5.397  -1.574  -6.498
 H    6.117  -3.319  -5.039
 H    4.626  -3.242  -4.101
 H    3.759  -4.826  -5.440
 H    3.837  -3.682  -6.780
 H    6.185  -5.391  -5.922
 H    5.053  -5.866  -7.189
 H    6.376  -4.714  -8.613
 H    5.719  -3.255  -7.871
 H    8.093  -4.714  -6.846
 H    8.179  -3.366  -7.877
 H    7.512  -3.204  -6.326
 N    2.445  -1.461  -5.006
 C    0.994  -1.321  -5.323
 C    0.562   0.137  -5.212
 O   -0.480   0.529  -5.698
 C    0.171  -2.184  -4.365
 O   -1.210  -1.900  -4.541
 C    0.578  -1.878  -2.925
 H    2.749  -1.470  -4.074
 H    0.831  -1.647  -6.326
 H    0.353  -3.228  -4.572
 H   -1.489  -2.291  -5.372
 H    1.211  -1.003  -2.909
 H   -0.306  -1.692  -2.334
 H    1.115  -2.720  -2.516
 N    1.360   0.940  -4.592
 C    1.008   2.389  -4.460
 C    2.282   3.230  -4.409
 O    3.385   2.722  -4.454
 C    0.197   2.657  -3.177
 S   -0.411   1.112  -2.454
 H    2.193   0.591  -4.224
 H    0.422   2.688  -5.317
 H    0.828   3.158  -2.458
 H   -0.642   3.294  -3.416
 N    2.131   4.518  -4.301
 C    3.316   5.414  -4.223
 C    3.340   6.079  -2.851
 O    4.287   6.739  -2.472
 C    3.208   6.488  -5.300
 O    2.961   5.875  -6.558
 C    4.508   7.290  -5.363
 H    1.229   4.900  -4.257
 H    4.210   4.841  -4.360
 H    2.392   7.150  -5.054
 H    3.323   4.986  -6.531
 H    5.233   6.853  -4.692
 H    4.895   7.273  -6.372
 H    4.316   8.311  -5.069
 N    2.286   5.908  -2.116
 C    2.188   6.518  -0.763
 C    1.342   5.605   0.137
 O    0.675   4.713  -0.347
 C    1.504   7.883  -0.896
 C    2.541   8.945  -1.271
 C    2.852   9.814  -0.052
 C    2.676  11.290  -0.417
 N    3.566  11.630  -1.563
 H    1.547   5.379  -2.465
 H    3.174   6.641  -0.341
 H    0.751   7.830  -1.669
 H    1.038   8.150   0.038
 H    3.445   8.460  -1.609
 H    2.149   9.567  -2.062
 H    2.177   9.558   0.752
 H    3.870   9.642   0.263
 H    1.648  11.472  -0.693
 H    2.935  11.904   0.434
 H    4.545  11.369  -1.332
 H    3.258  11.107  -2.409
 H    3.517  12.651  -1.750
 N    1.379   5.868   1.419
 C    0.603   5.098   2.412
 C   -0.862   5.433   2.305
 O   -1.347   6.400   2.857
 C    1.199   5.526   3.754
 C    1.884   6.889   3.512
 C    2.187   6.962   2.003
 H    0.717   4.031   2.284
 H    0.415   5.625   4.493
 H    1.931   4.804   4.080
 H    1.221   7.694   3.800
 H    2.805   6.947   4.071
 H    1.884   7.919   1.608
 H    3.236   6.788   1.818
 N   -1.561   4.598   1.596
 C   -3.012   4.767   1.431
 C   -3.614   4.899   2.829
 O   -2.917   5.136   3.794
 C   -3.558   3.509   0.749
 S   -3.261   3.588  -1.048
 H   -1.117   3.833   1.183
 H   -3.228   5.644   0.839
 H   -3.056   2.642   1.155
 H   -4.612   3.432   0.949
 N   -4.883   4.720   2.981
 C   -5.445   4.826   4.350
 C   -5.215   3.513   5.105
 O   -5.943   3.197   6.026
 C   -6.943   5.114   4.275
 O   -7.653   3.884   4.205
 H   -5.457   4.504   2.217
 H   -4.953   5.631   4.875
 H   -7.252   5.652   5.155
 H   -7.150   5.714   3.399
 H   -8.579   4.084   4.046
 N   -4.228   2.723   4.732
 C   -4.034   1.432   5.469
 C   -2.565   1.007   5.494
 O   -2.131   0.345   6.416
 C   -4.841   0.337   4.784
 S   -4.867   0.655   3.008
 H   -3.639   2.960   3.966
 H   -4.387   1.546   6.483
 H   -4.384  -0.623   4.974
 H   -5.851   0.339   5.165
 N   -1.788   1.363   4.508
 C   -0.384   0.961   4.517
 C    0.273   1.590   5.774
 O   -0.428   1.882   6.720
 C    0.258   1.460   3.236
 S   -0.863   1.474   1.799
 H   -2.116   1.892   3.770
 H   -0.309  -0.118   4.566
 H    0.640   2.452   3.402
 H    1.068   0.814   3.014
 N    1.581   1.790   5.787
 C    2.254   2.380   6.966
 C    1.933   3.874   7.094
 O    1.648   4.545   6.124
 C    3.741   2.164   6.677
 C    3.851   1.997   5.149
 C    2.510   1.471   4.676
 H    1.976   1.853   7.865
 H    4.313   3.021   7.005
 H    4.091   1.269   7.168
 H    4.035   2.955   4.682
 H    4.620   1.296   4.891
 H    2.244   1.990   3.777
 H    2.552   0.405   4.510
 N    1.984   4.398   8.289
 C    1.688   5.846   8.483
 C    2.915   6.670   8.090
 O    3.895   6.074   7.673
 C    1.350   6.102   9.953
 C    2.434   5.486  10.839
 C    1.799   4.476  11.797
 C    2.300   3.070  11.462
 N    2.910   2.460  12.678
 O    2.856   7.882   8.213
 H    2.220   3.840   9.060
 H    0.849   6.130   7.865
 H    1.299   7.167  10.130
 H    0.397   5.652  10.187
 H    3.164   4.986  10.219
 H    2.918   6.265  11.409
 H    2.070   4.724  12.813
 H    0.725   4.507  11.692
 H    1.472   2.462  11.131
 H    3.041   3.129  10.678
 H    2.811   3.113  13.480
 H    2.425   1.564  12.896
 H    3.918   2.276  12.506
 CD   0.591   0.775  -0.158
 CD  -2.770  -0.182   1.894
 CD  -2.871   1.271  -2.024
434
*
 N   -6.951   7.200   1.343
 C   -7.852   6.204   0.697
 C   -7.021   5.243  -0.155
 O   -6.327   5.654  -1.063
 C   -8.870   6.932  -0.184
 O   -8.946   6.290  -1.452
 H   -6.032   6.758   1.541
 H   -6.813   8.008   0.704
 H   -7.378   7.529   2.232
 H   -8.372   5.635   1.461
 H   -9.839   6.903   0.285
 H   -8.564   7.962  -0.309
 H   -9.352   6.900  -2.070
 N   -7.123   3.986   0.177
 C   -6.407   2.916  -0.510
 C   -7.039   2.545  -1.840
 O   -8.233   2.643  -2.041
 C   -6.369   1.791   0.520
 C   -7.456   2.112   1.573
 C   -7.967   3.513   1.284
 H   -5.420   3.233  -0.699
 H   -6.586   0.848   0.040
 H   -5.409   1.754   0.990
 H   -8.256   1.414   1.520
 H   -7.009   2.111   2.560
 H   -9.006   3.482   0.986
 H   -7.837   4.138   2.147
 N   -6.200   2.178  -2.774
 C   -6.680   1.861  -4.135
 C   -7.663   0.693  -4.122
 O   -8.158   0.286  -3.090
 C   -5.484   1.588  -5.067
 S   -4.283   0.429  -4.340
 H   -5.239   2.153  -2.581
 H   -7.204   2.729  -4.511
 H   -5.849   1.169  -5.991
 H   -5.000   2.516  -5.282
 N   -7.982   0.192  -5.278
 C   -8.984  -0.919  -5.381
 C   -8.348  -2.280  -5.109
 O   -8.874  -3.310  -5.483
 C   -9.565  -0.924  -6.784
 C   -8.457  -1.213  -7.799
 C   -8.699  -0.397  -9.069
 O   -9.794  -0.378  -9.596
 N   -7.714   0.284  -9.588
 H   -7.585   0.577  -6.091
 H   -9.779  -0.750  -4.671
 H  -10.322  -1.688  -6.848
 H   -9.996   0.040  -6.990
 H   -7.502  -0.943  -7.373
 H   -8.459  -2.265  -8.044
 H   -7.858   0.810 -10.402
 H   -6.831   0.269  -9.164
 N   -7.229  -2.293  -4.473
 C   -6.547  -3.587  -4.178
 C   -5.793  -3.489  -2.852
 O   -5.008  -4.349  -2.505
 C   -5.546  -3.870  -5.286
 C   -6.136  -4.883  -6.266
 C   -5.176  -6.064  -6.418
 C   -5.675  -6.984  -7.532
 N   -6.218  -8.235  -6.933
 H   -6.832  -1.452  -4.196
 H   -7.274  -4.384  -4.131
 H   -5.325  -2.947  -5.803
 H   -4.642  -4.267  -4.853
 H   -7.086  -5.235  -5.892
 H   -6.279  -4.413  -7.228
 H   -4.190  -5.697  -6.666
 H   -5.134  -6.614  -5.491
 H   -6.454  -6.484  -8.089
 H   -4.856  -7.226  -8.193
 H   -6.323  -8.111  -5.907
 H   -7.145  -8.446  -7.352
 H   -5.563  -9.021  -7.124
 N   -6.004  -2.433  -2.131
 C   -5.292  -2.237  -0.848
 C   -6.227  -2.517   0.327
 O   -5.788  -2.773   1.431
 C   -4.848  -0.784  -0.796
 S   -3.055  -0.692  -0.907
 H   -6.617  -1.748  -2.446
 H   -4.427  -2.885  -0.798
 H   -5.280  -0.253  -1.633
 H   -5.181  -0.325   0.115
 N   -7.511  -2.452   0.113
 C   -8.450  -2.696   1.244
 C   -8.107  -4.004   1.924
 O   -7.278  -4.052   2.811
 C   -9.894  -2.729   0.737
 O  -10.285  -1.423   0.340
 C  -10.818  -3.223   1.852
 H   -7.853  -2.228  -0.782
 H   -8.334  -1.917   1.956
 H   -9.965  -3.399  -0.106
 H   -9.974  -0.806   1.007
 H  -10.449  -2.874   2.805
 H  -11.814  -2.840   1.689
 H  -10.842  -4.303   1.848
 N   -8.703  -5.072   1.508
 C   -8.365  -6.369   2.129
 C   -7.203  -6.951   1.340
 O   -7.040  -8.151   1.244
 C   -9.567  -7.310   2.056
 O  -10.315  -7.023   0.883
 H   -9.353  -5.026   0.777
 H   -8.072  -6.219   3.159
 H   -9.225  -8.331   2.019
 H  -10.184  -7.171   2.934
 H  -10.176  -7.739   0.259
 N   -6.394  -6.102   0.753
 C   -5.253  -6.628  -0.045
 C   -4.068  -5.660  -0.018
 O   -3.444  -5.412  -1.030
 H   -6.549  -5.122   0.830
 H   -4.944  -7.579   0.364
 H   -5.570  -6.768  -1.067
 N   -3.724  -5.127   1.124
 C   -2.552  -4.209   1.165
 C   -1.293  -5.040   0.940
 O   -0.837  -5.744   1.819
 C   -2.463  -3.507   2.521
 S   -1.174  -2.237   2.439
 H   -4.217  -5.344   1.943
 H   -2.643  -3.473   0.379
 H   -3.412  -3.046   2.752
 H   -2.214  -4.226   3.286
 N   -0.742  -4.982  -0.236
 C    0.477  -5.792  -0.523
 C    1.716  -5.111   0.057
 O    2.778  -5.698   0.119
 C    0.660  -5.934  -2.037
 C   -0.690  -6.182  -2.712
 C   -0.490  -6.251  -4.228
 C   -1.362  -7.364  -4.810
 N   -0.725  -7.897  -6.047
 H   -1.137  -4.418  -0.934
 H    0.367  -6.772  -0.084
 H    1.097  -5.028  -2.430
 H    1.318  -6.766  -2.240
 H   -1.105  -7.114  -2.359
 H   -1.367  -5.375  -2.479
 H   -0.768  -5.305  -4.671
 H    0.548  -6.459  -4.444
 H   -1.463  -8.158  -4.086
 H   -2.339  -6.968  -5.050
 H    0.267  -7.587  -6.089
 H   -0.763  -8.937  -6.036
 H   -1.232  -7.540  -6.881
 N    1.613  -3.870   0.446
 C    2.780  -3.163   0.966
 C    2.940  -3.376   2.471
 O    2.104  -2.982   3.260
 C    2.587  -1.678   0.702
 S    1.648  -1.401  -0.816
 H    0.780  -3.384   0.367
 H    3.664  -3.502   0.455
 H    2.060  -1.234   1.522
 H    3.534  -1.231   0.608
 N    4.036  -3.952   2.874
 C    4.292  -4.142   4.326
 C    5.248  -3.031   4.764
 O    5.323  -2.665   5.920
 C    4.931  -5.510   4.571
 H    4.712  -4.226   2.220
 H    3.364  -4.062   4.874
 H    4.796  -6.131   3.699
 H    5.986  -5.384   4.764
 H    4.462  -5.978   5.424
 N    5.964  -2.480   3.818
 C    6.910  -1.372   4.113
 C    6.941  -0.446   2.894
 O    6.768  -0.886   1.777
 C    8.308  -1.940   4.373
 O    8.238  -2.914   5.405
 C    9.246  -0.812   4.799
 H    5.865  -2.791   2.894
 H    6.570  -0.823   4.980
 H    8.687  -2.397   3.471
 H    8.993  -3.499   5.311
 H    8.712   0.127   4.778
 H    9.603  -1.001   5.801
 H   10.085  -0.765   4.121
 N    7.141   0.829   3.089
 C    7.160   1.767   1.925
 C    7.932   1.142   0.760
 O    7.660   1.421  -0.392
 C    7.822   3.085   2.335
 C    9.331   2.882   2.476
 C    9.805   3.486   3.799
 C   11.277   3.136   4.019
 N   12.127   4.285   3.598
 H    7.265   1.172   3.999
 H    6.142   1.960   1.607
 H    7.629   3.835   1.580
 H    7.415   3.413   3.279
 H    9.555   1.825   2.462
 H    9.839   3.370   1.658
 H    9.690   4.560   3.766
 H    9.216   3.086   4.611
 H   11.445   2.928   5.065
 H   11.531   2.266   3.434
 H   11.813   5.147   4.089
 H   13.119   4.091   3.839
 H   12.043   4.420   2.570
 N    8.881   0.289   1.036
 C    9.637  -0.347  -0.079
 C    8.640  -1.054  -0.996
 O    8.592  -0.815  -2.187
 C   10.632  -1.370   0.476
 C   11.161  -2.236  -0.670
 C   12.683  -2.112  -0.747
 O   13.346  -2.642   0.128
 O   13.159  -1.489  -1.682
 H    9.087   0.061   1.967
 H   10.167   0.411  -0.636
 H   11.455  -0.852   0.948
 H   10.137  -1.998   1.201
 H   10.892  -3.268  -0.496
 H   10.728  -1.903  -1.601
 N    7.837  -1.918  -0.440
 C    6.829  -2.642  -1.259
 C    5.771  -1.653  -1.752
 O    5.133  -1.864  -2.763
 C    6.156  -3.709  -0.396
 C    7.213  -4.437   0.431
 C    6.638  -5.758   0.947
 O    6.664  -6.724   0.202
 O    6.183  -5.781   2.079
 H    7.894  -2.089   0.522
 H    7.312  -3.109  -2.104
 H    5.447  -3.236   0.266
 H    5.644  -4.416  -1.029
 H    8.078  -4.634  -0.185
 H    7.501  -3.820   1.269
 N    5.579  -0.577  -1.039
 C    4.561   0.429  -1.461
 C    4.998   1.091  -2.752
 O    4.199   1.522  -3.555
 C    4.453   1.517  -0.421
 S    2.979   2.505  -0.779
 H    6.104  -0.432  -0.224
 H    3.602  -0.049  -1.584
 H    4.387   1.072   0.548
 H    5.328   2.147  -0.469
 N    6.272   1.181  -2.942
 C    6.802   1.824  -4.176
 C    6.523   0.913  -5.367
 O    6.852   1.226  -6.495
 C    8.311   2.032  -4.034
 O    8.695   3.202  -4.743
 H    6.882   0.822  -2.267
 H    6.317   2.778  -4.326
 H    8.563   2.150  -2.994
 H    8.829   1.170  -4.433
 H    9.655   3.241  -4.755
 N    5.940  -0.227  -5.121
 C    5.661  -1.173  -6.214
 C    4.158  -1.477  -6.277
 O    3.711  -2.261  -7.091
 C    6.443  -2.446  -5.913
 C    5.926  -3.590  -6.780
 C    6.984  -4.693  -6.854
 C    7.208  -5.279  -5.459
 N    8.663  -5.250  -5.139
 H    5.706  -0.473  -4.210
 H    5.988  -0.756  -7.151
 H    7.491  -2.275  -6.115
 H    6.318  -2.698  -4.867
 H    5.020  -3.986  -6.344
 H    5.719  -3.222  -7.773
 H    6.646  -5.471  -7.523
 H    7.910  -4.279  -7.221
 H    6.667  -4.693  -4.730
 H    6.854  -6.299  -5.435
 H    9.055  -4.320  -5.394
 H    8.799  -5.417  -4.122
 H    9.152  -5.992  -5.678
 N    3.374  -0.871  -5.422
 C    1.904  -1.145  -5.445
 C    1.108   0.156  -5.540
 O   -0.023   0.181  -5.984
 C    1.507  -1.893  -4.171
 O    2.178  -3.145  -4.127
 C   -0.003  -2.119  -4.161
 H    3.751  -0.248  -4.767
 H    1.678  -1.743  -6.294
 H    1.784  -1.306  -3.311
 H    2.772  -3.136  -3.372
 H   -0.287  -2.690  -5.033
 H   -0.281  -2.662  -3.269
 H   -0.510  -1.165  -4.175
 N    1.697   1.225  -5.131
 C    1.002   2.551  -5.189
 C    2.036   3.661  -5.352
 O    3.186   3.423  -5.665
 C    0.203   2.808  -3.900
 S   -0.270   1.246  -3.120
 H    2.605   1.157  -4.798
 H    0.330   2.570  -6.032
 H    0.810   3.378  -3.213
 H   -0.687   3.372  -4.139
 N    1.628   4.876  -5.125
 C    2.570   6.023  -5.245
 C    2.691   6.726  -3.896
 O    3.529   7.582  -3.695
 C    2.039   7.008  -6.283
 O    1.740   6.311  -7.486
 C    3.090   8.086  -6.558
 H    0.696   5.032  -4.868
 H    3.532   5.663  -5.542
 H    1.143   7.471  -5.901
 H    1.169   5.571  -7.266
 H    3.439   8.495  -5.621
 H    3.922   7.650  -7.092
 H    2.651   8.873  -7.154
 N    1.853   6.367  -2.977
 C    1.894   7.001  -1.627
 C    1.237   6.061  -0.598
 O    0.829   4.969  -0.939
 C    1.171   8.361  -1.701
 C   -0.339   8.217  -1.437
 C   -1.061   7.926  -2.755
 C   -1.743   6.559  -2.679
 N   -1.962   6.041  -4.059
 H    1.193   5.680  -3.179
 H    2.925   7.162  -1.346
 H    1.599   9.035  -0.978
 H    1.313   8.775  -2.688
 H   -0.523   7.416  -0.741
 H   -0.717   9.140  -1.025
 H   -1.805   8.690  -2.932
 H   -0.347   7.925  -3.565
 H   -1.116   5.872  -2.131
 H   -2.695   6.659  -2.177
 H   -1.245   6.441  -4.697
 H   -1.885   5.004  -4.056
 H   -2.908   6.319  -4.388
 N    1.153   6.516   0.632
 C    0.552   5.742   1.736
 C   -0.949   5.813   1.658
 O   -1.579   6.736   2.136
 C    1.087   6.428   2.995
 C    1.495   7.859   2.575
 C    1.638   7.851   1.041
 H    0.848   4.703   1.725
 H    0.315   6.466   3.752
 H    1.950   5.900   3.367
 H    0.732   8.564   2.875
 H    2.439   8.121   3.027
 H    1.019   8.625   0.615
 H    2.670   7.981   0.752
 N   -1.518   4.808   1.074
 C   -2.981   4.735   0.974
 C   -3.516   4.823   2.403
 O   -2.814   5.232   3.305
 C   -3.343   3.385   0.353
 S   -3.246   3.485  -1.463
 H   -0.970   4.076   0.722
 H   -3.364   5.546   0.372
 H   -2.651   2.637   0.705
 H   -4.333   3.115   0.657
 N   -4.719   4.424   2.654
 C   -5.197   4.490   4.058
 C   -4.760   3.219   4.789
 O   -5.389   2.802   5.741
 C   -6.720   4.602   4.094
 O   -7.134   4.970   5.404
 H   -5.291   4.066   1.943
 H   -4.761   5.350   4.546
 H   -7.044   5.355   3.396
 H   -7.157   3.650   3.822
 H   -8.059   5.225   5.363
 N   -3.701   2.572   4.348
 C   -3.294   1.311   5.049
 C   -1.789   1.059   4.955
 O   -1.212   0.463   5.842
 C   -4.014   0.128   4.415
 S   -4.215   0.449   2.652
 H   -3.198   2.895   3.553
 H   -3.577   1.377   6.089
 H   -3.429  -0.769   4.556
 H   -4.983   0.005   4.873
 N   -1.135   1.482   3.907
 C    0.300   1.237   3.815
 C    0.974   1.950   5.017
 O    0.316   2.170   6.014
 C    0.794   1.782   2.485
 S   -0.417   1.656   1.125
 H   -1.575   1.957   3.190
 H    0.491   0.174   3.869
 H    1.074   2.812   2.618
 H    1.654   1.227   2.214
 N    2.249   2.301   4.934
 C    2.928   2.977   6.061
 C    2.434   4.418   6.211
 O    1.986   5.034   5.265
 C    4.405   2.946   5.667
 C    4.427   2.778   4.135
 C    3.128   2.088   3.759
 H    2.782   2.428   6.977
 H    4.884   3.875   5.951
 H    4.902   2.111   6.134
 H    4.464   3.746   3.654
 H    5.254   2.171   3.828
 H    2.738   2.563   2.881
 H    3.287   1.035   3.590
 N    2.514   4.957   7.396
 C    2.054   6.356   7.617
 C    3.106   7.113   8.431
 O    2.909   8.294   8.663
 C    0.730   6.341   8.383
 C    0.742   5.195   9.396
 C   -0.578   5.182  10.167
 C   -1.652   4.491   9.327
 N   -1.645   3.030   9.619
 O    4.089   6.497   8.809
 H    2.880   4.440   8.144
 H    1.915   6.845   6.664
 H    0.603   7.281   8.901
 H   -0.087   6.198   7.690
 H    0.866   4.257   8.874
 H    1.560   5.334  10.087
 H   -0.446   4.646  11.096
 H   -0.884   6.196  10.375
 H   -2.620   4.903   9.570
 H   -1.447   4.649   8.278
 H   -0.671   2.670   9.564
 H   -2.023   2.866  10.575
 H   -2.235   2.533   8.922
 CD   0.947   1.014  -0.914
 CD  -2.144  -0.173   1.371
 CD  -2.710   1.229  -2.484
