File: plength.gro

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mdanalysis 2.10.0-1
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file content (18363 lines) | stat: -rw-r--r-- 826,259 bytes
parent folder | download | duplicates (3)
Written by MDAnalysis
18360
    1PA     Ch1    1   6.732 -11.782   1.910
    1PA      H2    2   6.827 -11.812   1.865
    1PA      H3    3   6.643 -11.755   1.852
    1PA     Ch4    4   6.783 -11.701   2.028
    1PA      H5    5   6.852 -11.742   2.102
    1PA      H6    6   6.696 -11.665   2.085
    1PA     Ch7    7   6.843 -11.566   1.991
    1PA      H8    8   6.841 -11.511   1.897
    1PA      H9    9   6.808 -11.485   2.055
    1PA    Ch10   10   6.995 -11.558   1.994
    1PA     H11   11   7.044 -11.578   2.090
    1PA     H12   12   7.031 -11.455   1.990
    1PA    Ca13   13   7.075 -11.643   1.897
    1PA     O14   14   7.186 -11.682   1.936
    1PA     N15   15   7.057 -11.608   1.770
    1PA    Hn16   16   7.002 -11.524   1.776
    1PA    Ch17   17   7.022 -11.703   1.667
    1PA     H18   18   6.982 -11.797   1.706
    1PA     H19   19   6.934 -11.657   1.622
    1PA    Ch20   20   7.148 -11.732   1.586
    1PA     H21   21   7.211 -11.797   1.647
    1PA     H22   22   7.198 -11.643   1.548
    1PA    Ch23   23   7.112 -11.838   1.483
    1PA     H24   24   7.059 -11.932   1.500
    1PA     H25   25   7.055 -11.776   1.413
    1PA    Ch26   26   7.237 -11.882   1.408
    1PA     H27   27   7.337 -11.887   1.453
    1PA     H28   28   7.238 -11.823   1.316
    1PA    Ch29   29   7.236 -12.016   1.337
    1PA     H30   30   7.160 -11.999   1.261
    1PA     H31   31   7.326 -12.023   1.275
    1PA    Ch32   32   7.227 -12.144   1.419
    1PA     H33   33   7.192 -12.132   1.522
    1PA     H34   34   7.335 -12.159   1.429
    1PA     N35   35   7.163 -12.243   1.336
    1PA    Hn36   36   7.212 -12.325   1.301
    1PA    Ca37   37   7.044 -12.301   1.351
    1PA     O38   38   6.937 -12.243   1.372
    1PA    Ch39   39   7.051 -12.449   1.384
    1PA     H40   40   7.057 -12.490   1.283
    1PA     H41   41   7.139 -12.464   1.446
    1PA    Ch42   42   6.928 -12.502   1.456
    1PA     H43   43   6.842 -12.510   1.389
    1PA     H44   44   6.899 -12.447   1.545
    1PA    Ch45   45   6.939 -12.650   1.487
    1PA     H46   46   7.025 -12.667   1.552
    1PA     H47   47   6.849 -12.694   1.531
    1PA    Ch48   48   6.956 -12.737   1.363
    1PA     H49   49   7.006 -12.682   1.283
    1PA     H50   50   6.856 -12.758   1.327
    1PA    Ca51   51   7.033 -12.868   1.374
    1PA     O52   52   7.154 -12.860   1.356
    1PA     N53   53   6.974 -12.987   1.368
    1PA    Hn54   54   6.903 -12.974   1.439
    1PA    Ch55   55   6.976 -13.078   1.255
    1PA     H56   56   6.883 -13.071   1.199
    1PA     H57   57   7.060 -13.047   1.194
    1PA    Ch58   58   6.980 -13.225   1.296
    1PA     H59   59   6.909 -13.273   1.230
    1PA     H60   60   6.960 -13.240   1.402
    1PA    Ch61   61   7.105 -13.310   1.276
    1PA     H62   62   7.122 -13.366   1.184
    1PA     H63   63   7.188 -13.243   1.254
    1PA    Ch64   64   7.131 -13.430   1.366
    1PA     H65   65   7.153 -13.519   1.307
    1PA     H66   66   7.041 -13.486   1.393
    1PA    Ch67   67   7.219 -13.403   1.487
    1PA     H68   68   7.310 -13.360   1.443
    1PA     H69   69   7.168 -13.316   1.529
    1PA    Ch70   70   7.237 -13.520   1.582
    1PA     H71   71   7.337 -13.561   1.566
    1PA     H72   72   7.166 -13.601   1.567
    1PA     N73   73   7.234 -13.467   1.717
    1PA    Hn74   74   7.299 -13.398   1.753
    1PA    Ca75   75   7.139 -13.465   1.811
    1PA     O76   76   7.082 -13.572   1.835
    1PA    Ch77   77   7.084 -13.330   1.855
    1PA     H78   78   6.989 -13.348   1.905
    1PA     H79   79   7.156 -13.285   1.923
    1PA    Ch80   80   7.034 -13.225   1.757
    1PA     H81   81   6.931 -13.186   1.758
    1PA     H82   82   7.014 -13.284   1.668
    1PA    Ch83   83   7.108 -13.097   1.720
    1PA     H84   84   7.205 -13.092   1.770
    1PA     H85   85   7.122 -13.108   1.612
    1PA    Ch86   86   7.056 -12.961   1.762
    1PA     H87   87   6.951 -12.952   1.733
    1PA     H88   88   7.096 -12.884   1.695
    1PA    Ca89   89   7.084 -12.937   1.910
    1PA     O90   90   6.979 -12.921   1.972
    1PA     N91   91   7.202 -12.947   1.971
    1PA    Hn92   92   7.224 -13.043   1.993
    1PA    Ch93   93   7.296 -12.838   1.987
    1PA     H94   94   7.282 -12.767   1.905
    1PA     H95   95   7.285 -12.779   2.079
    1PA    Ch96   96   7.444 -12.872   1.978
    1PA     H97   97   7.436 -12.946   1.899
    1PA     H98   98   7.466 -12.927   2.070
    1PA    Ch99   99   7.544 -12.757   1.985
    1PA    H100  100   7.620 -12.760   1.907
    1PA    H101  101   7.483 -12.669   1.968
    1PA   Ch102  102   7.613 -12.743   2.120
    1PA    H103  103   7.689 -12.666   2.131
    1PA    H104  104   7.675 -12.830   2.140
    1PA   Ch105  105   7.525 -12.708   2.240
    1PA    H106  106   7.470 -12.615   2.228
    1PA    H107  107   7.449 -12.785   2.251
    1PA   Ch108  108   7.616 -12.700   2.362
    1PA    H109  109   7.688 -12.622   2.337
    1PA    H110  110   7.668 -12.793   2.385
    1PA    N111  111   7.533 -12.669   2.477
    1PA   Hn112  112   7.446 -12.618   2.480
    1PA   Ca113  113   7.535 -12.724   2.599
    1PA    O114  114   7.646 -12.744   2.648
    1PA   Ch115  115   7.411 -12.800   2.645
    1PA    H116  116   7.318 -12.742   2.645
    1PA    H117  117   7.378 -12.851   2.555
    1PA   Ch118  118   7.413 -12.904   2.757
    1PA    H119  119   7.491 -12.877   2.828
    1PA    H120  120   7.449 -12.995   2.711
    1PA   Ch121  121   7.270 -12.928   2.804
    1PA    H122  122   7.206 -12.965   2.724
    1PA    H123  123   7.283 -12.991   2.893
    1PA   Ch124  124   7.205 -12.814   2.882
    1PA    H125  125   7.191 -12.725   2.820
    1PA    H126  126   7.264 -12.806   2.974
    1PA   Ca127  127   7.065 -12.839   2.936
    1PA    O128  128   6.978 -12.879   2.859
    1PA    N129  129   7.061 -12.862   3.068
    1PA   Hn130  130   7.110 -12.787   3.115
    1PA   Ch131  131   7.031 -12.993   3.121
    1PA    H132  132   6.935 -12.991   3.174
    1PA    H133  133   6.997 -13.057   3.040
    1PA   Ch134  134   7.125 -13.046   3.228
    1PA    H135  135   7.083 -13.012   3.323
    1PA    H136  136   7.230 -13.021   3.212
    1PA   Ch137  137   7.119 -13.192   3.273
    1PA    H138  138   7.017 -13.228   3.264
    1PA    H139  139   7.160 -13.258   3.197
    1PA   Ch140  140   7.188 -13.209   3.408
    1PA    H141  141   7.131 -13.178   3.496
    1PA    H142  142   7.271 -13.139   3.411
    1PA   Ch143  143   7.256 -13.342   3.440
    1PA    H144  144   7.182 -13.411   3.479
    1PA    H145  145   7.265 -13.406   3.352
    1PA   Ch146  146   7.393 -13.336   3.507
    1PA    H147  147   7.458 -13.260   3.466
    1PA    H148  148   7.450 -13.413   3.454
    1PA    N149  149   7.381 -13.354   3.650
    1PA   Hn150  150   7.331 -13.436   3.682
    1PA   Ca151  151   7.435 -13.299   3.759
    1PA    O152  152   7.375 -13.207   3.814
    1PA   Ch153  153   7.554 -13.373   3.821
    1PA    H154  154   7.556 -13.352   3.928
    1PA    H155  155   7.558 -13.481   3.814
    1PA   Ch156  156   7.686 -13.334   3.758
    1PA    H157  157   7.703 -13.246   3.820
    1PA    H158  158   7.672 -13.294   3.657
    1PA   Ch159  159   7.798 -13.437   3.763
    1PA    H160  160   7.881 -13.387   3.813
    1PA    H161  161   7.750 -13.530   3.796
    1PA   Ch162  162   7.865 -13.484   3.635
    1PA    H163  163   7.922 -13.403   3.589
    1PA    H164  164   7.767 -13.505   3.592
    1PA   Ca165  165   7.959 -13.604   3.631
    1PA    O166  166   7.946 -13.698   3.553
    1PA    N167  167   8.068 -13.599   3.707
    1PA   Hn168  168   8.025 -13.608   3.798
    1PA   Ch169  169   8.205 -13.568   3.670
    1PA    H170  170   8.231 -13.671   3.645
    1PA    H171  171   8.211 -13.487   3.598
    1PA   Ch172  172   8.292 -13.523   3.786
    1PA    H173  173   8.390 -13.556   3.750
    1PA    H174  174   8.270 -13.576   3.879
    1PA   Ch175  175   8.295 -13.377   3.827
    1PA    H176  176   8.329 -13.313   3.745
    1PA    H177  177   8.189 -13.350   3.823
    1PA   Ch178  178   8.366 -13.343   3.957
    1PA    H179  179   8.465 -13.386   3.972
    1PA    H180  180   8.295 -13.390   4.025
    1PA   Ch181  181   8.369 -13.198   4.003
    1PA    H182  182   8.423 -13.128   3.939
    1PA    H183  183   8.274 -13.149   4.026
    1PA   Ch184  184   8.436 -13.201   4.140
    1PA    H185  185   8.443 -13.279   4.216
    1PA    H186  186   8.382 -13.130   4.203
    1PA    N187  187   8.571 -13.157   4.110
    1PA   Hn188  188   8.626 -13.191   4.032
    1PA   Ca189  189   8.677 -13.157   4.192
    1PA    O190  190   8.710 -13.064   4.265
    1PA   Ch191  191   8.767 -13.280   4.187
    1PA    H192  192   8.735 -13.343   4.104
    1PA    H193  193   8.868 -13.264   4.150
    1PA   Ch194  194   8.777 -13.362   4.315
    1PA    H195  195   8.690 -13.427   4.317
    1PA    H196  196   8.753 -13.308   4.406
    1PA   Ch197  197   8.911 -13.429   4.344
    1PA    H198  198   8.927 -13.483   4.250
    1PA    H199  199   8.984 -13.350   4.329
    1PA   Ch200  200   8.942 -13.534   4.449
    1PA    H201  201   9.041 -13.573   4.421
    1PA    H202  202   8.870 -13.616   4.451
    1PA   Ca203  203   8.970 -13.471   4.584
    1PA    O204  204   9.083 -13.448   4.627
    1PA    N205  205   8.872 -13.433   4.666
    1PA   Hn206  206   8.804 -13.505   4.642
    1PA   Ch207  207   8.833 -13.298   4.701
    1PA    H208  208   8.921 -13.273   4.761
    1PA    H209  209   8.809 -13.233   4.616
    1PA   Ch210  210   8.708 -13.283   4.787
    1PA    H211  211   8.676 -13.375   4.836
    1PA    H212  212   8.623 -13.241   4.735
    1PA   Ch213  213   8.723 -13.180   4.898
    1PA    H214  214   8.808 -13.218   4.957
    1PA    H215  215   8.730 -13.086   4.843
    1PA   Ch216  216   8.604 -13.150   4.988
    1PA    H217  217   8.522 -13.133   4.918
    1PA    H218  218   8.603 -13.046   5.022
    1PA   Ch219  219   8.565 -13.245   5.100
    1PA    H220  220   8.661 -13.284   5.135
    1PA    H221  221   8.530 -13.177   5.178
    1PA   Ch222  222   8.482 -13.365   5.056
    1PA    H223  223   8.435 -13.354   4.958
    1PA    H224  224   8.401 -13.381   5.127
    1PA    N225  225   8.553 -13.488   5.028
    1PA   Hn226  226   8.654 -13.487   5.021
    1PA   Ca227  227   8.498 -13.608   5.051
    1PA    O228  228   8.419 -13.654   4.969
    1PA   Ch229  229   8.585 -13.697   5.138
    1PA    H230  230   8.584 -13.777   5.063
    1PA    H231  231   8.680 -13.648   5.156
    1PA   Ch232  232   8.541 -13.766   5.267
    1PA    H233  233   8.464 -13.819   5.211
    1PA    H234  234   8.474 -13.706   5.329
    1PA   Ch235  235   8.625 -13.869   5.341
    1PA    H236  236   8.577 -13.963   5.368
    1PA    H237  237   8.692 -13.896   5.259
    1PA   Ch238  238   8.690 -13.832   5.474
    1PA    H239  239   8.612 -13.805   5.545
    1PA    H240  240   8.757 -13.753   5.442
    1PA   Ca241  241   8.759 -13.952   5.537
    1PA    O242  242   8.723 -13.998   5.645
    1PA    N243  243   8.875 -13.972   5.474
    1PA   Hn244  244   8.859 -14.024   5.389
    1PA   Ch245  245   8.990 -14.005   5.556
    1PA    H246  246   9.003 -13.956   5.653
    1PA    H247  247   8.972 -14.102   5.603
    1PA   Ch248  248   9.111 -14.012   5.464
    1PA    H249  249   9.072 -14.068   5.379
    1PA    H250  250   9.194 -14.068   5.509
    1PA   Ch251  251   9.198 -13.888   5.453
    1PA    H252  252   9.139 -13.796   5.446
    1PA    H253  253   9.265 -13.885   5.539
    1PA   Ch254  254   9.293 -13.898   5.334
    1PA    H255  255   9.264 -13.976   5.264
    1PA    H256  256   9.382 -13.933   5.385
    1PA   Ch257  257   9.299 -13.782   5.235
    1PA    H258  258   9.214 -13.755   5.173
    1PA    H259  259   9.324 -13.696   5.298
    1PA   Ch260  260   9.421 -13.803   5.147
    1PA    H261  261   9.433 -13.908   5.122
    1PA    H262  262   9.501 -13.779   5.217
    1PA    N263  263   9.439 -13.717   5.031
    1PA   Hn264  264   9.397 -13.625   5.024
    1PA   Ca265  265   9.471 -13.749   4.906
    1PA    O266  266   9.579 -13.799   4.878
    1PA   Ch267  267   9.377 -13.706   4.793
    1PA    H268  268   9.336 -13.612   4.831
    1PA    H269  269   9.413 -13.660   4.701
    1PA   Ch270  270   9.269 -13.808   4.760
    1PA    H271  271   9.338 -13.891   4.743
    1PA    H272  272   9.204 -13.840   4.840
    1PA   Ch273  273   9.178 -13.774   4.643
    1PA    H274  274   9.086 -13.729   4.680
    1PA    H275  275   9.234 -13.700   4.584
    1PA   Ch276  276   9.166 -13.894   4.551
    1PA    H277  277   9.136 -13.980   4.611
    1PA    H278  278   9.257 -13.930   4.502
    1PA   Ca279  279   9.078 -13.877   4.428
    1PA    O280  280   9.126 -13.828   4.326
    1PA    N281  281   8.946 -13.897   4.430
    1PA   Hn282  282   8.913 -13.840   4.507
    1PA   Ch283  283   8.888 -14.028   4.405
    1PA    H284  284   8.852 -14.025   4.302
    1PA    H285  285   8.963 -14.108   4.401
    1PA   Ch286  286   8.788 -14.100   4.493
    1PA    H287  287   8.698 -14.041   4.507
    1PA    H288  288   8.818 -14.090   4.598
    1PA   Ch289  289   8.767 -14.250   4.475
    1PA    H290  290   8.826 -14.323   4.531
    1PA    H291  291   8.684 -14.276   4.542
    1PA   Ch292  292   8.764 -14.304   4.332
    1PA    H293  293   8.802 -14.406   4.338
    1PA    H294  294   8.841 -14.257   4.271
    1PA   Ch295  295   8.639 -14.308   4.246
    1PA    H296  296   8.674 -14.386   4.177
    1PA    H297  297   8.559 -14.344   4.310
    1PA   Ch298  298   8.602 -14.176   4.179
    1PA    H299  299   8.644 -14.080   4.206
    1PA    H300  300   8.496 -14.165   4.204
    1PA    N301  301   8.599 -14.193   4.035
    1PA   Hn302  302   8.609 -14.288   4.003
    1PA   Ca303  303   8.517 -14.121   3.958
    1PA    O304  304   8.549 -14.005   3.932
    1PA   Ch305  305   8.386 -14.179   3.907
    1PA    H306  306   8.335 -14.084   3.887
    1PA    H307  307   8.401 -14.235   3.815
    1PA   Ch308  308   8.283 -14.242   4.001
    1PA    H309  309   8.275 -14.175   4.086
    1PA    H310  310   8.342 -14.331   4.021
    1PA   Ch311  311   8.143 -14.268   3.947
    1PA    H312  312   8.100 -14.182   3.896
    1PA    H313  313   8.149 -14.337   3.863
    1PA   Ch314  314   8.038 -14.315   4.047
    1PA    H315  315   7.982 -14.227   4.080
    1PA    H316  316   8.090 -14.352   4.136
    1PA   Ca317  317   7.924 -14.413   4.020
    1PA    O318  318   7.900 -14.477   3.918
    1PA    N319  319   7.847 -14.440   4.125
    1PA   Hn320  320   7.886 -14.491   4.203
    1PA   Ch321  321   7.723 -14.378   4.166
    1PA    H322  322   7.651 -14.354   4.087
    1PA    H323  323   7.691 -14.453   4.238
    1PA   Ch324  324   7.744 -14.263   4.264
    1PA    H325  325   7.738 -14.178   4.195
    1PA    H326  326   7.822 -14.276   4.339
    1PA   Ch327  327   7.636 -14.245   4.370
    1PA    H328  328   7.625 -14.344   4.414
    1PA    H329  329   7.665 -14.160   4.432
    1PA   Ch330  330   7.492 -14.221   4.327
    1PA    H331  331   7.468 -14.310   4.269
    1PA    H332  332   7.500 -14.137   4.258
    1PA   Ch333  333   7.391 -14.186   4.436
    1PA    H334  334   7.343 -14.277   4.471
    1PA    H335  335   7.444 -14.168   4.530
    1PA   Ch336  336   7.306 -14.064   4.404
    1PA    H337  337   7.237 -14.098   4.326
    1PA    H338  338   7.351 -13.976   4.358
    1PA    N339  339   7.213 -14.018   4.505
    1PA   Hn340  340   7.226 -14.071   4.591
    1PA   Ca341  341   7.172 -13.898   4.547
    1PA    O342  342   7.088 -13.848   4.473
    1PA   Ch343  343   7.216 -13.816   4.667
    1PA    H344  344   7.300 -13.875   4.705
    1PA    H345  345   7.273 -13.728   4.636
    1PA   Ch346  346   7.128 -13.752   4.774
    1PA    H347  347   7.175 -13.726   4.869
    1PA    H348  348   7.089 -13.851   4.801
    1PA   Ch349  349   7.027 -13.644   4.738
    1PA    H350  350   7.003 -13.568   4.813
    1PA    H351  351   7.069 -13.586   4.656
    1PA   Ch352  352   6.893 -13.703   4.697
    1PA    H353  353   6.822 -13.723   4.777
    1PA    H354  354   6.906 -13.804   4.660
    1PA   Ca355  355   6.797 -13.631   4.602
    1PA    O356  356   6.739 -13.534   4.649
    1PA    N357  357   6.811 -13.641   4.470
    1PA   Hn358  358   6.871 -13.722   4.465
    1PA   Ch359  359   6.841 -13.541   4.369
    1PA    H360  360   6.744 -13.493   4.384
    1PA    H361  361   6.932 -13.479   4.376
    1PA   Ch362  362   6.851 -13.609   4.233
    1PA    H363  363   6.848 -13.718   4.233
    1PA    H364  364   6.960 -13.601   4.226
    1PA   Ch365  365   6.778 -13.560   4.109
    1PA    H366  366   6.842 -13.497   4.047
    1PA    H367  367   6.763 -13.645   4.042
    1PA   Ch368  368   6.637 -13.513   4.142
    1PA    H369  369   6.653 -13.404   4.140
    1PA    H370  370   6.621 -13.544   4.245
    1PA   Ch371  371   6.528 -13.515   4.035
    1PA    H372  372   6.553 -13.463   3.943
    1PA    H373  373   6.514 -13.623   4.026
    1PA   Ch374  374   6.388 -13.477   4.081
    1PA    H375  375   6.407 -13.373   4.110
    1PA    H376  376   6.366 -13.532   4.173
    1PA    N377  377   6.296 -13.494   3.971
    1PA   Hn378  378   6.345 -13.548   3.901
    1PA   Ca379  379   6.163 -13.500   3.961
    1PA    O380  380   6.089 -13.402   3.953
    1PA   Ch381  381   6.114 -13.644   3.960
    1PA    H382  382   6.005 -13.647   3.947
    1PA    H383  383   6.178 -13.700   3.892
    1PA   Ch384  384   6.133 -13.733   4.082
    1PA    H385  385   6.080 -13.713   4.176
    1PA    H386  386   6.240 -13.722   4.102
    1PA   Ch387  387   6.085 -13.875   4.056
    1PA    H388  388   6.120 -13.902   4.156
    1PA    H389  389   5.977 -13.883   4.039
    1PA   Ch390  390   6.152 -13.952   3.944
    1PA    H391  391   6.259 -13.932   3.943
    1PA    H392  392   6.116 -13.930   3.843
    1PA   Ca393  393   6.133 -14.103   3.948
    1PA    O394  394   6.115 -14.170   3.847
    1PA    N395  395   6.182 -14.172   4.051
    1PA   Hn396  396   6.282 -14.157   4.055
    1PA   Ch397  397   6.122 -14.212   4.177
    1PA    H398  398   6.076 -14.136   4.241
    1PA    H399  399   6.053 -14.294   4.151
    1PA   Ch400  400   6.234 -14.273   4.260
    1PA    H401  401   6.301 -14.189   4.276
    1PA    H402  402   6.277 -14.343   4.189
    1PA   Ch403  403   6.203 -14.327   4.399
    1PA    H404  404   6.096 -14.346   4.405
    1PA    H405  405   6.248 -14.424   4.417
    1PA   Ch406  406   6.254 -14.242   4.515
    1PA    H407  407   6.182 -14.267   4.593
    1PA    H408  408   6.244 -14.135   4.494
    1PA   Ch409  409   6.402 -14.264   4.544
    1PA    H410  410   6.402 -14.367   4.581
    1PA    H411  411   6.455 -14.253   4.450
    1PA   Ch412  412   6.474 -14.176   4.645
    1PA    H413  413   6.461 -14.221   4.743
    1PA    H414  414   6.433 -14.077   4.666
    1PA    N415  415   6.617 -14.182   4.620
    1PA   Hn416  416   6.652 -14.273   4.649
    1PA   Ca417  417   6.715 -14.094   4.634
    1PA    O418  418   6.703 -13.977   4.597
    1PA   Ch419  419   6.817 -14.137   4.739
    1PA    H420  420   6.848 -14.241   4.738
    1PA    H421  421   6.911 -14.082   4.735
    1PA   Ch422  422   6.761 -14.128   4.880
    1PA    H423  423   6.749 -14.231   4.915
    1PA    H424  424   6.652 -14.131   4.876
    1PA   Ch425  425   6.837 -14.027   4.965
    1PA    H426  426   6.945 -14.029   4.954
    1PA    H427  427   6.806 -13.932   4.921
    1PA   Ch428  428   6.798 -14.023   5.112
    1PA    H429  429   6.758 -14.121   5.138
    1PA    H430  430   6.702 -13.976   5.132
    1PA   Ca431  431   6.893 -13.962   5.215
    1PA    O432  432   6.862 -13.857   5.272
    1PA    N433  433   7.020 -14.001   5.203
    1PA   Hn434  434   7.017 -14.102   5.199
    1PA   Ch435  435   7.125 -13.931   5.134
    1PA    H436  436   7.168 -13.999   5.060
    1PA    H437  437   7.079 -13.858   5.067
    1PA   Ch438  438   7.231 -13.891   5.236
    1PA    H439  439   7.329 -13.929   5.209
    1PA    H440  440   7.230 -13.938   5.334
    1PA   Ch441  441   7.239 -13.739   5.246
    1PA    H442  442   7.289 -13.705   5.155
    1PA    H443  443   7.142 -13.694   5.224
    1PA   Ch444  444   7.291 -13.670   5.372
    1PA    H445  445   7.363 -13.739   5.417
    1PA    H446  446   7.210 -13.661   5.444
    1PA   Ch447  447   7.335 -13.528   5.342
    1PA    H448  448   7.433 -13.557   5.302
    1PA    H449  449   7.262 -13.467   5.289
    1PA   Ch450  450   7.385 -13.442   5.458
    1PA    H451  451   7.340 -13.490   5.544
    1PA    H452  452   7.322 -13.355   5.435
    1PA    N453  453   7.529 -13.433   5.470
    1PA   Hn454  454   7.581 -13.429   5.383
    1PA   Ca455  455   7.585 -13.359   5.565
    1PA    O456  456   7.598 -13.392   5.683
    1PA   Ch457  457   7.648 -13.226   5.525
    1PA    H458  458   7.627 -13.195   5.423
    1PA    H459  459   7.624 -13.166   5.613
    1PA   Ch460  460   7.799 -13.211   5.521
    1PA    H461  461   7.843 -13.305   5.487
    1PA    H462  462   7.832 -13.229   5.623
    1PA   Ch463  463   7.855 -13.083   5.459
    1PA    H464  464   7.764 -13.028   5.434
    1PA    H465  465   7.903 -13.019   5.533
    1PA   Ch466  466   7.952 -13.103   5.344
    1PA    H467  467   7.911 -13.188   5.290
    1PA    H468  468   8.038 -13.138   5.402
    1PA   Ca469  469   7.997 -12.998   5.243
    1PA    O470  470   8.088 -13.031   5.167
    1PA    N471  471   7.962 -12.869   5.247
    1PA   Hn472  472   7.862 -12.858   5.252
    1PA   Ch473  473   8.034 -12.749   5.285
    1PA    H474  474   8.051 -12.737   5.392
    1PA    H475  475   8.140 -12.766   5.263
    1PA   Ch476  476   7.950 -12.637   5.226
    1PA    H477  477   7.850 -12.631   5.271
    1PA    H478  478   7.959 -12.673   5.123
    1PA   Ch479  479   8.002 -12.494   5.220
    1PA    H480  480   7.911 -12.451   5.177
    1PA    H481  481   8.009 -12.464   5.324
    1PA   Ch482  482   8.130 -12.452   5.148
    1PA    H483  483   8.098 -12.421   5.048
    1PA    H484  484   8.202 -12.534   5.151
    1PA   Ch485  485   8.186 -12.312   5.167
    1PA    H486  486   8.262 -12.301   5.089
    1PA    H487  487   8.106 -12.238   5.160
    1PA   Ch488  488   8.248 -12.296   5.305
    1PA    H489  489   8.314 -12.381   5.327
    1PA    H490  490   8.169 -12.281   5.379
    1PA    N491  491   8.332 -12.178   5.309
    1PA   Hn492  492   8.323 -12.119   5.227
    1PA   Ca493  493   8.457 -12.137   5.329
    1PA    O494  494   8.510 -12.133   5.440
    1PA   Ch495  495   8.551 -12.127   5.209
    1PA    H496  496   8.659 -12.129   5.225
    1PA    H497  497   8.545 -12.207   5.135
    1PA   Ch498  498   8.538 -11.990   5.144
    1PA    H499  499   8.432 -11.964   5.148
    1PA    H500  500   8.552 -11.990   5.035
    1PA   Ch501  501   8.607 -11.878   5.220
    1PA    H502  502   8.557 -11.875   5.318
    1PA    H503  503   8.715 -11.869   5.226
    1PA   Ch504  504   8.598 -11.755   5.132
    1PA    H505  505   8.503 -11.728   5.085
    1PA    H506  506   8.654 -11.761   5.039
    1PA   Ca507  507   8.632 -11.618   5.191
    1PA    O508  508   8.749 -11.583   5.185
    1PA    N509  509   8.566 -11.580   5.300
    1PA   Hn510  510   8.527 -11.666   5.336
    1PA   Ch511  511   8.466 -11.475   5.299
    1PA    H512  512   8.535 -11.391   5.290
    1PA    H513  513   8.397 -11.481   5.214
    1PA   Ch514  514   8.363 -11.475   5.411
    1PA    H515  515   8.323 -11.569   5.449
    1PA    H516  516   8.261 -11.447   5.384
    1PA   Ch517  517   8.403 -11.377   5.519
    1PA    H518  518   8.495 -11.417   5.561
    1PA    H519  519   8.421 -11.295   5.449
    1PA   Ch520  520   8.292 -11.384   5.623
    1PA    H521  521   8.268 -11.489   5.641
    1PA    H522  522   8.201 -11.349   5.575
    1PA   Ch523  523   8.331 -11.309   5.750
    1PA    H524  524   8.239 -11.309   5.807
    1PA    H525  525   8.380 -11.366   5.829
    1PA   Ch526  526   8.345 -11.158   5.734
    1PA    H527  527   8.256 -11.115   5.689
    1PA    H528  528   8.438 -11.148   5.678
    1PA    N529  529   8.374 -11.084   5.856
    1PA   Hn530  530   8.407 -11.136   5.936
    1PA   Ca531  531   8.319 -10.973   5.904
    1PA    O532  532   8.327 -10.877   5.827
    1PA   Ch533  533   8.197 -10.992   5.994
    1PA    H534  534   8.103 -10.985   5.940
    1PA    H535  535   8.217 -11.090   6.037
    1PA   Ch536  536   8.177 -10.897   6.111
    1PA    H537  537   8.266 -10.841   6.141
    1PA    H538  538   8.136 -10.953   6.195
    1PA   Ch539  539   8.078 -10.785   6.084
    1PA    H540  540   8.102 -10.706   6.156
    1PA    H541  541   8.111 -10.737   5.992
    1PA   Ch542  542   7.933 -10.835   6.082
    1PA    H543  543   7.924 -10.935   6.039
    1PA    H544  544   7.899 -10.768   6.002
    1PA   Ca545  545   7.829 -10.795   6.185
    1PA    O546  546   7.868 -10.783   6.301
    1PA    N547  547   7.706 -10.843   6.163
    1PA   Hn548  548   7.680 -10.787   6.082
    1PA   Ch549  549   7.651 -10.972   6.196
    1PA    H550  550   7.712 -11.043   6.252
    1PA    H551  551   7.564 -10.976   6.263
    1PA   Ch552  552   7.626 -11.041   6.063
    1PA    H553  553   7.660 -11.143   6.080
    1PA    H554  554   7.690 -11.026   5.976
    1PA   Ch555  555   7.497 -11.039   5.982
    1PA    H556  556   7.428 -11.058   6.064
    1PA    H557  557   7.473 -10.933   5.975
    1PA   Ch558  558   7.497 -11.126   5.857
    1PA    H559  559   7.413 -11.196   5.858
    1PA    H560  560   7.594 -11.174   5.846
    1PA   Ch561  561   7.492 -11.050   5.725
    1PA    H562  562   7.407 -10.982   5.723
    1PA    H563  563   7.574 -10.979   5.734
    1PA   Ch564  564   7.493 -11.142   5.604
    1PA    H565  565   7.420 -11.218   5.634
    1PA    H566  566   7.597 -11.171   5.588
    1PA    N567  567   7.476 -11.083   5.473
    1PA   Hn568  568   7.390 -11.033   5.455
    1PA   Ca569  569   7.540 -11.020   5.375
    1PA    O570  570   7.627 -11.087   5.320
    1PA   Ch571  571   7.550 -10.868   5.368
    1PA    H572  572   7.648 -10.846   5.409
    1PA    H573  573   7.560 -10.842   5.263
    1PA   Ch574  574   7.455 -10.776   5.443
    1PA    H575  575   7.507 -10.720   5.521
    1PA    H576  576   7.379 -10.842   5.486
    1PA   Ch577  577   7.398 -10.670   5.350
    1PA    H578  578   7.469 -10.624   5.281
    1PA    H579  579   7.324 -10.723   5.291
    1PA   Ch580  580   7.300 -10.565   5.402
    1PA    H581  581   7.364 -10.535   5.486
    1PA    H582  582   7.210 -10.608   5.444
    1PA   Ca583  583   7.265 -10.456   5.301
    1PA    O584  584   7.352 -10.371   5.286
    1PA    N585  585   7.166 -10.481   5.215
    1PA   Hn586  586   7.070 -10.481   5.246
    1PA   Ch587  587   7.195 -10.538   5.085
    1PA    H588  588   7.209 -10.450   5.022
    1PA    H589  589   7.298 -10.571   5.077
    1PA   Ch590  590   7.087 -10.625   5.021
    1PA    H591  591   6.992 -10.588   5.061
    1PA    H592  592   7.091 -10.718   5.077
    1PA   Ch593  593   7.080 -10.633   4.869
    1PA    H594  594   6.977 -10.606   4.847
    1PA    H595  595   7.147 -10.574   4.805
    1PA   Ch596  596   7.116 -10.773   4.819
    1PA    H597  597   7.043 -10.831   4.876
    1PA    H598  598   7.216 -10.798   4.852
    1PA   Ch599  599   7.089 -10.810   4.674
    1PA    H600  600   7.175 -10.873   4.650
    1PA    H601  601   6.991 -10.859   4.678
    1PA   Ch602  602   7.084 -10.691   4.578
    1PA    H603  603   7.171 -10.626   4.590
    1PA    H604  604   7.002 -10.623   4.602
    1PA    N605  605   7.119 -10.727   4.443
    1PA   Hn606  606   7.086 -10.814   4.402
    1PA   Ca607  607   7.194 -10.668   4.349
    1PA    O608  608   7.316 -10.679   4.352
    1PA   Ch609  609   7.118 -10.611   4.230
    1PA    H610  610   7.142 -10.655   4.134
    1PA    H611  611   7.010 -10.625   4.241
    1PA   Ch612  612   7.158 -10.469   4.191
    1PA    H613  613   7.116 -10.452   4.091
    1PA    H614  614   7.266 -10.451   4.193
    1PA   Ch615  615   7.077 -10.367   4.270
    1PA    H616  616   7.023 -10.405   4.357
    1PA    H617  617   7.162 -10.309   4.306
    1PA   Ch618  618   6.976 -10.267   4.217
    1PA    H619  619   6.876 -10.310   4.212
    1PA    H620  620   7.008 -10.213   4.128
    1PA   Ca621  621   6.923 -10.150   4.300
    1PA    O622  622   6.995 -10.105   4.389
    1PA    N623  623   6.825 -10.074   4.251
    1PA   Hn624  624   6.757 -10.143   4.223
    1PA   Ch625  625   6.823  -9.958   4.164
    1PA    H626  626   6.803  -9.867   4.220
    1PA    H627  627   6.919  -9.945   4.114
    1PA   Ch628  628   6.718  -9.983   4.056
    1PA    H629  629   6.629  -9.927   4.087
    1PA    H630  630   6.695 -10.089   4.048
    1PA   Ch631  631   6.764  -9.960   3.913
    1PA    H632  632   6.788  -9.854   3.912
    1PA    H633  633   6.849 -10.021   3.883
    1PA   Ch634  634   6.663  -9.971   3.799
    1PA    H635  635   6.634  -9.870   3.771
    1PA    H636  636   6.571 -10.026   3.822
    1PA   Ch637  637   6.724 -10.022   3.669
    1PA    H638  638   6.827 -10.055   3.671
    1PA    H639  639   6.685 -10.119   3.640
    1PA   Ch640  640   6.688  -9.960   3.534
    1PA    H641  641   6.590  -9.918   3.561
    1PA    H642  642   6.687 -10.033   3.453
    1PA    N643  643   6.787  -9.858   3.507
    1PA   Hn644  644   6.794  -9.781   3.573
    1PA   Ca645  645   6.888  -9.825   3.426
    1PA    O646  646   6.858  -9.819   3.307
    1PA   Ch647  647   7.029  -9.870   3.460
    1PA    H648  648   7.032  -9.958   3.525
    1PA    H649  649   7.082  -9.880   3.366
    1PA   Ch650  650   7.117  -9.761   3.519
    1PA    H651  651   7.184  -9.820   3.582
    1PA    H652  652   7.047  -9.708   3.583
    1PA   Ch653  653   7.195  -9.666   3.429
    1PA    H654  654   7.270  -9.723   3.375
    1PA    H655  655   7.128  -9.614   3.361
    1PA   Ch656  656   7.264  -9.567   3.523
    1PA    H657  657   7.346  -9.627   3.564
    1PA    H658  658   7.215  -9.514   3.604
    1PA   Ca659  659   7.320  -9.449   3.445
    1PA    O660  660   7.281  -9.333   3.442
    1PA    N661  661   7.442  -9.479   3.400
    1PA   Hn662  662   7.431  -9.574   3.369
    1PA   Ch663  663   7.559  -9.448   3.479
    1PA    H664  664   7.578  -9.345   3.450
    1PA    H665  665   7.546  -9.456   3.587
    1PA   Ch666  666   7.668  -9.549   3.444
    1PA    H667  667   7.705  -9.548   3.341
    1PA    H668  668   7.620  -9.647   3.443
    1PA   Ch669  669   7.786  -9.572   3.537
    1PA    H670  670   7.806  -9.473   3.576
    1PA    H671  671   7.764  -9.637   3.622
    1PA   Ch672  672   7.908  -9.646   3.484
    1PA    H673  673   7.976  -9.677   3.564
    1PA    H674  674   7.977  -9.577   3.434
    1PA   Ch675  675   7.864  -9.769   3.407
    1PA    H676  676   7.839  -9.858   3.466
    1PA    H677  677   7.770  -9.753   3.353
    1PA   Ch678  678   7.974  -9.818   3.314
    1PA    H679  679   8.068  -9.814   3.368
    1PA    H680  680   8.000  -9.743   3.239
    1PA    N681  681   7.947  -9.939   3.239
    1PA   Hn682  682   7.854  -9.975   3.223
    1PA   Ca683  683   8.017 -10.052   3.225
    1PA    O684  684   8.071 -10.085   3.119
    1PA   Ch685  685   7.944 -10.153   3.312
    1PA    H686  686   7.957 -10.116   3.414
    1PA    H687  687   7.839 -10.167   3.292
    1PA   Ch688  688   7.976 -10.302   3.318
    1PA    H689  689   8.073 -10.305   3.367
    1PA    H690  690   7.985 -10.366   3.230
    1PA   Ch691  691   7.881 -10.387   3.401
    1PA    H692  692   7.781 -10.347   3.387
    1PA    H693  693   7.871 -10.487   3.358
    1PA   Ch694  694   7.919 -10.394   3.549
    1PA    H695  695   7.955 -10.305   3.602
    1PA    H696  696   8.000 -10.464   3.529
    1PA   Ca697  697   7.823 -10.465   3.642
    1PA    O698  698   7.710 -10.421   3.660
    1PA    N699  699   7.853 -10.590   3.679
    1PA   Hn700  700   7.952 -10.588   3.699
    1PA   Ch701  701   7.809 -10.717   3.625
    1PA    H702  702   7.749 -10.770   3.698
    1PA    H703  703   7.752 -10.699   3.534
    1PA   Ch704  704   7.932 -10.807   3.617
    1PA    H705  705   8.017 -10.747   3.586
    1PA    H706  706   7.893 -10.878   3.543
    1PA   Ch707  707   7.974 -10.877   3.745
    1PA    H708  708   7.999 -10.807   3.825
    1PA    H709  709   7.888 -10.938   3.774
    1PA   Ch710  710   8.097 -10.963   3.717
    1PA    H711  711   8.160 -10.903   3.651
    1PA    H712  712   8.039 -11.038   3.664
    1PA   Ch713  713   8.158 -11.031   3.839
    1PA    H714  714   8.166 -10.948   3.909
    1PA    H715  715   8.099 -11.106   3.891
    1PA   Ch716  716   8.290 -11.106   3.821
    1PA    H717  717   8.373 -11.039   3.797
    1PA    H718  718   8.284 -11.194   3.758
    1PA    N719  719   8.338 -11.160   3.947
    1PA   Hn720  720   8.275 -11.143   4.024
    1PA   Ca721  721   8.428 -11.251   3.985
    1PA    O722  722   8.542 -11.236   3.943
    1PA   Ch723  723   8.363 -11.389   3.979
    1PA    H724  724   8.320 -11.371   4.077
    1PA    H725  725   8.283 -11.410   3.908
    1PA   Ch726  726   8.437 -11.521   3.996
    1PA    H727  727   8.355 -11.591   4.014
    1PA    H728  728   8.486 -11.529   4.093
    1PA   Ch729  729   8.495 -11.587   3.871
    1PA    H730  730   8.553 -11.523   3.805
    1PA    H731  731   8.573 -11.657   3.903
    1PA   Ch732  732   8.387 -11.632   3.774
    1PA    H733  733   8.415 -11.609   3.671
    1PA    H734  734   8.294 -11.576   3.787
    1PA   Ca735  735   8.378 -11.783   3.762
    1PA    O736  736   8.462 -11.853   3.706
    1PA    N737  737   8.247 -11.810   3.768
    1PA   Hn738  738   8.211 -11.752   3.843
    1PA   Ch739  739   8.171 -11.835   3.648
    1PA    H740  740   8.239 -11.852   3.563
    1PA    H741  741   8.134 -11.938   3.653
    1PA   Ch742  742   8.056 -11.738   3.625
    1PA    H743  743   8.053 -11.640   3.672
    1PA    H744  744   7.970 -11.768   3.684
    1PA   Ch745  745   8.027 -11.701   3.480
    1PA    H746  746   7.962 -11.614   3.485
    1PA    H747  747   8.107 -11.667   3.413
    1PA   Ch748  748   7.981 -11.813   3.388
    1PA    H749  749   8.020 -11.909   3.423
    1PA    H750  750   8.020 -11.798   3.287
    1PA   Ch751  751   7.831 -11.833   3.368
    1PA    H752  752   7.818 -11.914   3.296
    1PA    H753  753   7.798 -11.852   3.470
    1PA   Ch754  754   7.764 -11.713   3.303
    1PA    H755  755   7.811 -11.694   3.207
    1PA    H756  756   7.771 -11.624   3.367
    1PA    N757  757   7.622 -11.721   3.275
    1PA   Hn758  758   7.582 -11.795   3.330
    1PA   Ca759  759   7.551 -11.682   3.168
    1PA    O760  760   7.539 -11.566   3.131
    1PA   Ch761  761   7.547 -11.794   3.065
    1PA    H762  762   7.639 -11.801   3.006
    1PA    H763  763   7.517 -11.881   3.125
    1PA    H764  764   6.680 -11.865   1.958
    1PA    H765  765   7.476 -11.795   2.982
    2PA     Ch1  766  -2.347  10.958   0.048
    2PA      H2  767  -2.337  10.891   0.134
    2PA      H3  768  -2.451  10.982   0.027
    2PA     Ch4  769  -2.281  10.909  -0.080
    2PA      H5  770  -2.240  10.991  -0.138
    2PA      H6  771  -2.331  10.829  -0.136
    2PA     Ch7  772  -2.155  10.831  -0.048
    2PA      H8  773  -2.076  10.842  -0.123
    2PA      H9  774  -2.093  10.881   0.025
    2PA    Ch10  775  -2.166  10.682  -0.016
    2PA     H11  776  -2.072  10.640  -0.053
    2PA     H12  777  -2.234  10.636  -0.087
    2PA    Ca13  778  -2.185  10.643   0.130
    2PA     O14  779  -2.119  10.693   0.220
    2PA     N15  780  -2.283  10.559   0.162
    2PA    Hn16  781  -2.297  10.500   0.081
    2PA    Ch17  782  -2.413  10.598   0.213
    2PA     H18  783  -2.398  10.663   0.299
    2PA     H19  784  -2.443  10.662   0.129
    2PA    Ch20  785  -2.477  10.463   0.242
    2PA     H21  786  -2.514  10.460   0.344
    2PA     H22  787  -2.428  10.370   0.212
    2PA    Ch23  788  -2.609  10.439   0.170
    2PA     H24  789  -2.672  10.526   0.190
    2PA     H25  790  -2.585  10.447   0.064
    2PA    Ch26  791  -2.676  10.304   0.192
    2PA     H27  792  -2.700  10.317   0.297
    2PA     H28  793  -2.592  10.236   0.174
    2PA    Ch29  794  -2.779  10.256   0.091
    2PA     H30  795  -2.836  10.343   0.060
    2PA     H31  796  -2.727  10.230  -0.002
    2PA    Ch32  797  -2.854  10.139   0.154
    2PA     H33  798  -2.914  10.171   0.239
    2PA     H34  799  -2.783  10.075   0.207
    2PA     N35  800  -2.937  10.075   0.053
    2PA    Hn36  801  -2.893  10.016  -0.017
    2PA    Ca37  802  -3.067  10.076   0.025
    2PA     O38  803  -3.155  10.022   0.091
    2PA    Ch39  804  -3.116  10.189  -0.065
    2PA     H40  805  -3.224  10.181  -0.081
    2PA     H41  806  -3.106  10.285  -0.014
    2PA    Ch42  807  -3.053  10.222  -0.200
    2PA     H43  808  -3.051  10.129  -0.256
    2PA     H44  809  -2.944  10.225  -0.205
    2PA    Ch45  810  -3.116  10.339  -0.275
    2PA     H46  811  -3.154  10.304  -0.371
    2PA     H47  812  -3.207  10.383  -0.232
    2PA    Ch48  813  -3.026  10.461  -0.287
    2PA     H49  814  -2.987  10.494  -0.190
    2PA     H50  815  -3.084  10.551  -0.308
    2PA    Ca51  816  -2.913  10.454  -0.388
    2PA     O52  817  -2.800  10.420  -0.354
    2PA     N53  818  -2.931  10.508  -0.509
    2PA    Hn54  819  -3.002  10.453  -0.555
    2PA    Ch55  820  -2.889  10.639  -0.557
    2PA     H56  821  -2.940  10.677  -0.646
    2PA     H57  822  -2.899  10.723  -0.489
    2PA    Ch58  823  -2.759  10.639  -0.636
    2PA     H59  824  -2.776  10.591  -0.732
    2PA     H60  825  -2.701  10.554  -0.601
    2PA    Ch61  826  -2.686  10.768  -0.670
    2PA     H62  827  -2.645  10.769  -0.771
    2PA     H63  828  -2.743  10.858  -0.650
    2PA    Ch64  829  -2.553  10.777  -0.596
    2PA     H65  830  -2.492  10.691  -0.625
    2PA     H66  831  -2.584  10.764  -0.492
    2PA    Ch67  832  -2.463  10.899  -0.611
    2PA     H68  833  -2.431  10.917  -0.713
    2PA     H69  834  -2.537  10.979  -0.620
    2PA    Ch70  835  -2.380  10.934  -0.488
    2PA     H71  836  -2.300  10.860  -0.487
    2PA     H72  837  -2.435  10.907  -0.397
    2PA     N73  838  -2.321  11.066  -0.493
    2PA    Hn74  839  -2.275  11.098  -0.577
    2PA    Ca75  840  -2.251  11.134  -0.402
    2PA     O76  841  -2.329  11.200  -0.334
    2PA    Ch77  842  -2.100  11.152  -0.409
    2PA     H78  843  -2.062  11.066  -0.464
    2PA     H79  844  -2.080  11.245  -0.461
    2PA    Ch80  845  -2.034  11.163  -0.272
    2PA     H81  846  -2.019  11.060  -0.239
    2PA     H82  847  -2.093  11.197  -0.186
    2PA    Ch83  848  -1.918  11.258  -0.251
    2PA     H84  849  -1.840  11.236  -0.324
    2PA     H85  850  -1.945  11.362  -0.270
    2PA    Ch86  851  -1.848  11.245  -0.116
    2PA     H87  852  -1.766  11.175  -0.134
    2PA     H88  853  -1.913  11.202  -0.040
    2PA    Ca89  854  -1.797  11.369  -0.043
    2PA     O90  855  -1.849  11.478  -0.066
    2PA     N91  856  -1.672  11.358   0.002
    2PA    Hn92  857  -1.660  11.264   0.039
    2PA    Ch93  858  -1.554  11.407  -0.067
    2PA     H94  859  -1.572  11.396  -0.174
    2PA     H95  860  -1.519  11.509  -0.051
    2PA    Ch96  861  -1.431  11.321  -0.042
    2PA     H97  862  -1.450  11.237  -0.109
    2PA     H98  863  -1.421  11.285   0.060
    2PA    Ch99  864  -1.308  11.388  -0.102
    2PA    H100  865  -1.298  11.496  -0.087
    2PA    H101  866  -1.213  11.354  -0.061
    2PA   Ch102  867  -1.301  11.367  -0.252
    2PA    H103  868  -1.378  11.430  -0.296
    2PA    H104  869  -1.323  11.272  -0.300
    2PA   Ch105  870  -1.169  11.418  -0.309
    2PA    H106  871  -1.190  11.404  -0.415
    2PA    H107  872  -1.167  11.525  -0.287
    2PA   Ch108  873  -1.045  11.342  -0.266
    2PA    H109  874  -1.053  11.245  -0.314
    2PA    H110  875  -1.043  11.328  -0.157
    2PA    N111  876  -0.938  11.417  -0.329
    2PA   Hn112  877  -0.947  11.513  -0.302
    2PA   Ca113  878  -0.841  11.398  -0.420
    2PA    O114  879  -0.872  11.342  -0.525
    2PA   Ch115  880  -0.695  11.426  -0.386
    2PA    H116  881  -0.643  11.476  -0.468
    2PA    H117  882  -0.693  11.508  -0.315
    2PA   Ch118  883  -0.596  11.311  -0.375
    2PA    H119  884  -0.601  11.269  -0.476
    2PA    H120  885  -0.628  11.237  -0.301
    2PA   Ch121  886  -0.453  11.345  -0.336
    2PA    H122  887  -0.393  11.269  -0.386
    2PA    H123  888  -0.419  11.440  -0.376
    2PA   Ch124  889  -0.422  11.368  -0.188
    2PA    H125  890  -0.458  11.281  -0.133
    2PA    H126  891  -0.486  11.449  -0.152
    2PA   Ca127  892  -0.280  11.389  -0.138
    2PA    O128  893  -0.229  11.496  -0.172
    2PA    N129  894  -0.213  11.274  -0.136
    2PA   Hn130  895  -0.283  11.202  -0.119
    2PA   Ch131  896  -0.125  11.209  -0.230
    2PA    H132  897  -0.184  11.151  -0.301
    2PA    H133  898  -0.070  11.277  -0.295
    2PA   Ch134  899  -0.012  11.133  -0.162
    2PA    H135  900   0.023  11.054  -0.229
    2PA    H136  901  -0.059  11.074  -0.083
    2PA   Ch137  902   0.084  11.229  -0.092
    2PA    H138  903   0.154  11.292  -0.147
    2PA    H139  904   0.032  11.300  -0.029
    2PA   Ch140  905   0.183  11.145  -0.011
    2PA    H141  906   0.123  11.065   0.032
    2PA    H142  907   0.208  11.213   0.070
    2PA   Ch143  908   0.322  11.113  -0.064
    2PA    H144  909   0.326  11.087  -0.170
    2PA    H145  910   0.364  11.213  -0.072
    2PA   Ch146  911   0.401  11.008   0.013
    2PA    H147  912   0.356  10.908   0.014
    2PA    H148  913   0.412  11.056   0.110
    2PA    N149  914   0.532  11.000  -0.049
    2PA   Hn150  915   0.607  11.061  -0.021
    2PA   Ca151  916   0.595  10.883  -0.062
    2PA    O152  917   0.610  10.821  -0.167
    2PA   Ch153  918   0.699  10.863   0.047
    2PA    H154  919   0.766  10.787   0.007
    2PA    H155  920   0.752  10.959   0.048
    2PA   Ch156  921   0.655  10.818   0.186
    2PA    H157  922   0.637  10.713   0.209
    2PA    H158  923   0.576  10.893   0.199
    2PA   Ch159  924   0.763  10.852   0.286
    2PA    H160  925   0.848  10.790   0.255
    2PA    H161  926   0.772  10.958   0.263
    2PA   Ch162  927   0.755  10.809   0.432
    2PA    H163  928   0.779  10.703   0.422
    2PA    H164  929   0.649  10.796   0.454
    2PA   Ca165  930   0.826  10.889   0.541
    2PA    O166  931   0.910  10.979   0.537
    2PA    N167  932   0.810  10.834   0.661
    2PA   Hn168  933   0.887  10.771   0.676
    2PA   Ch169  934   0.722  10.865   0.772
    2PA    H170  935   0.701  10.972   0.779
    2PA    H171  936   0.634  10.803   0.760
    2PA   Ch172  937   0.798  10.834   0.901
    2PA    H173  938   0.839  10.921   0.953
    2PA    H174  939   0.893  10.785   0.880
    2PA   Ch175  940   0.732  10.742   1.002
    2PA    H176  941   0.764  10.783   1.098
    2PA    H177  942   0.626  10.736   1.027
    2PA   Ch178  943   0.749  10.591   1.000
    2PA    H179  944   0.852  10.562   1.023
    2PA    H180  945   0.712  10.535   0.915
    2PA   Ch181  946   0.710  10.513   1.125
    2PA    H182  947   0.745  10.557   1.219
    2PA    H183  948   0.602  10.529   1.124
    2PA   Ch184  949   0.749  10.366   1.133
    2PA    H185  950   0.851  10.386   1.166
    2PA    H186  951   0.764  10.314   1.038
    2PA    N187  952   0.677  10.291   1.234
    2PA   Hn188  953   0.612  10.325   1.303
    2PA   Ca189  954   0.598  10.186   1.212
    2PA    O190  955   0.635  10.072   1.238
    2PA   Ch191  956   0.451  10.196   1.174
    2PA    H192  957   0.400  10.105   1.206
    2PA    H193  958   0.407  10.259   1.251
    2PA   Ch194  959   0.407  10.249   1.038
    2PA    H195  960   0.486  10.302   0.984
    2PA    H196  961   0.334  10.327   1.057
    2PA   Ch197  962   0.357  10.141   0.944
    2PA    H198  963   0.454  10.110   0.906
    2PA    H199  964   0.320  10.049   0.990
    2PA   Ch200  965   0.259  10.161   0.828
    2PA    H201  966   0.298  10.242   0.766
    2PA    H202  967   0.164  10.185   0.874
    2PA   Ca203  968   0.217  10.049   0.735
    2PA    O204  969   0.169   9.948   0.785
    2PA    N205  970   0.166  10.081   0.616
    2PA   Hn206  971   0.245  10.134   0.580
    2PA   Ch207  972   0.031  10.101   0.567
    2PA    H208  973  -0.028  10.014   0.595
    2PA    H209  974   0.003  10.193   0.619
    2PA   Ch210  975   0.039  10.117   0.416
    2PA    H211  976   0.071  10.028   0.362
    2PA    H212  977   0.107  10.198   0.388
    2PA   Ch213  978  -0.099  10.148   0.360
    2PA    H214  979  -0.185  10.091   0.394
    2PA    H215  980  -0.111  10.248   0.402
    2PA   Ch216  981  -0.096  10.155   0.208
    2PA    H217  982  -0.148  10.071   0.161
    2PA    H218  983   0.005  10.152   0.165
    2PA   Ch219  984  -0.181  10.271   0.160
    2PA    H220  985  -0.217  10.249   0.060
    2PA    H221  986  -0.261  10.296   0.231
    2PA   Ch222  987  -0.102  10.401   0.162
    2PA    H223  988  -0.005  10.393   0.112
    2PA    H224  989  -0.082  10.421   0.268
    2PA    N225  990  -0.184  10.510   0.112
    2PA   Hn226  991  -0.268  10.498   0.057
    2PA   Ca227  992  -0.211  10.635   0.148
    2PA    O228  993  -0.315  10.673   0.201
    2PA   Ch229  994  -0.138  10.754   0.087
    2PA    H230  995  -0.073  10.729   0.004
    2PA    H231  996  -0.210  10.811   0.028
    2PA   Ch232  997  -0.055  10.851   0.170
    2PA    H233  998  -0.094  10.841   0.271
    2PA    H234  999  -0.057  10.957   0.143
    2PA   Ch235 1000   0.092  10.816   0.192
    2PA    H236 1001   0.089  10.710   0.215
    2PA    H237 1002   0.164  10.832   0.111
    2PA   Ch238 1003   0.163  10.884   0.308
    2PA    H239 1004   0.103  10.861   0.397
    2PA    H240 1005   0.176  10.991   0.295
    2PA   Ca241 1006   0.307  10.849   0.344
    2PA    O242 1007   0.349  10.736   0.327
    2PA    N243 1008   0.361  10.914   0.448
    2PA   Hn244 1009   0.285  10.916   0.516
    2PA   Ch245 1010   0.476  11.001   0.462
    2PA    H246 1011   0.548  10.962   0.534
    2PA    H247 1012   0.534  11.026   0.373
    2PA   Ch248 1013   0.432  11.134   0.522
    2PA    H249 1014   0.339  11.114   0.574
    2PA    H250 1015   0.401  11.214   0.455
    2PA   Ch251 1016   0.519  11.212   0.621
    2PA    H252 1017   0.491  11.315   0.640
    2PA    H253 1018   0.514  11.168   0.720
    2PA   Ch254 1019   0.667  11.238   0.593
    2PA    H255 1020   0.676  11.328   0.532
    2PA    H256 1021   0.697  11.160   0.524
    2PA   Ch257 1022   0.772  11.256   0.702
    2PA    H258 1023   0.722  11.301   0.788
    2PA    H259 1024   0.824  11.185   0.767
    2PA   Ch260 1025   0.880  11.355   0.661
    2PA    H261 1026   0.931  11.400   0.746
    2PA    H262 1027   0.842  11.441   0.605
    2PA    N263 1028   0.979  11.273   0.594
    2PA   Hn264 1029   0.950  11.178   0.571
    2PA   Ca265 1030   1.063  11.318   0.501
    2PA    O266 1031   1.158  11.394   0.521
    2PA   Ch267 1032   1.039  11.254   0.365
    2PA    H268 1033   0.938  11.212   0.365
    2PA    H269 1034   1.045  11.329   0.287
    2PA   Ch270 1035   1.143  11.153   0.318
    2PA    H271 1036   1.149  11.097   0.412
    2PA    H272 1037   1.247  11.177   0.296
    2PA   Ch273 1038   1.087  11.062   0.210
    2PA    H274 1039   0.997  11.011   0.247
    2PA    H275 1040   1.051  11.112   0.119
    2PA   Ch276 1041   1.197  10.972   0.156
    2PA    H277 1042   1.223  10.926   0.251
    2PA    H278 1043   1.291  11.025   0.139
    2PA   Ca279 1044   1.148  10.862   0.062
    2PA    O280 1045   1.131  10.742   0.082
    2PA    N281 1046   1.163  10.884  -0.069
    2PA   Hn282 1047   1.254  10.924  -0.085
    2PA   Ch283 1048   1.055  10.930  -0.154
    2PA    H284 1049   0.980  10.854  -0.180
    2PA    H285 1050   1.009  11.021  -0.115
    2PA   Ch286 1051   1.114  10.969  -0.289
    2PA    H287 1052   1.166  10.890  -0.342
    2PA    H288 1053   1.180  11.047  -0.249
    2PA   Ch289 1054   1.015  11.020  -0.392
    2PA    H290 1055   0.931  10.951  -0.405
    2PA    H291 1056   0.977  11.115  -0.354
    2PA   Ch292 1057   1.088  11.040  -0.524
    2PA    H293 1058   1.160  11.120  -0.510
    2PA    H294 1059   1.004  11.087  -0.574
    2PA   Ch295 1060   1.133  10.914  -0.599
    2PA    H296 1061   1.216  10.881  -0.538
    2PA    H297 1062   1.059  10.834  -0.604
    2PA   Ch298 1063   1.175  10.961  -0.738
    2PA    H299 1064   1.266  11.021  -0.743
    2PA    H300 1065   1.101  11.026  -0.783
    2PA    N301 1066   1.204  10.847  -0.823
    2PA   Hn302 1067   1.151  10.770  -0.786
    2PA   Ca303 1068   1.188  10.836  -0.955
    2PA    O304 1069   1.283  10.844  -1.034
    2PA   Ch305 1070   1.054  10.805  -1.019
    2PA    H306 1071   1.072  10.742  -1.106
    2PA    H307 1072   1.015  10.728  -0.952
    2PA   Ch308 1073   0.963  10.925  -1.042
    2PA    H309 1074   0.936  10.934  -1.148
    2PA    H310 1075   1.008  11.020  -1.011
    2PA   Ch311 1076   0.840  10.922  -0.953
    2PA    H312 1077   0.798  10.822  -0.958
    2PA    H313 1078   0.878  10.933  -0.851
    2PA   Ch314 1079   0.747  11.043  -0.961
    2PA    H315 1080   0.799  11.137  -0.946
    2PA    H316 1081   0.677  11.022  -0.879
    2PA   Ca317 1082   0.668  11.047  -1.091
    2PA    O318 1083   0.707  11.119  -1.182
    2PA    N319 1084   0.538  11.017  -1.096
    2PA   Hn320 1085   0.529  10.931  -1.043
    2PA   Ch321 1086   0.419  11.100  -1.087
    2PA    H322 1087   0.445  11.206  -1.094
    2PA    H323 1088   0.362  11.069  -1.174
    2PA   Ch324 1089   0.342  11.059  -0.963
    2PA    H325 1090   0.343  11.142  -0.892
    2PA    H326 1091   0.395  10.976  -0.914
    2PA   Ch327 1092   0.191  11.040  -0.971
    2PA    H328 1093   0.143  11.126  -0.923
    2PA    H329 1094   0.152  11.055  -1.071
    2PA   Ch330 1095   0.134  10.906  -0.926
    2PA    H331 1096   0.156  10.904  -0.819
    2PA    H332 1097   0.181  10.826  -0.983
    2PA   Ch333 1098  -0.015  10.888  -0.953
    2PA    H334 1099  -0.061  10.985  -0.970
    2PA    H335 1100  -0.032  10.850  -1.054
    2PA   Ch336 1101  -0.103  10.814  -0.853
    2PA    H337 1102  -0.091  10.887  -0.773
    2PA    H338 1103  -0.066  10.715  -0.824
    2PA    N339 1104  -0.240  10.824  -0.898
    2PA   Hn340 1105  -0.281  10.748  -0.950
    2PA   Ca341 1106  -0.353  10.858  -0.836
    2PA    O342 1107  -0.370  10.977  -0.810
    2PA   Ch343 1108  -0.454  10.754  -0.791
    2PA    H344 1109  -0.406  10.662  -0.755
    2PA    H345 1110  -0.508  10.807  -0.712
    2PA   Ch346 1111  -0.572  10.708  -0.875
    2PA    H347 1112  -0.542  10.690  -0.979
    2PA    H348 1113  -0.622  10.801  -0.906
    2PA   Ch349 1114  -0.671  10.610  -0.814
    2PA    H350 1115  -0.632  10.509  -0.829
    2PA    H351 1116  -0.680  10.624  -0.706
    2PA   Ch352 1117  -0.807  10.627  -0.881
    2PA    H353 1118  -0.805  10.588  -0.983
    2PA    H354 1119  -0.847  10.726  -0.901
    2PA   Ca355 1120  -0.919  10.567  -0.798
    2PA    O356 1121  -0.985  10.476  -0.848
    2PA    N357 1122  -0.966  10.640  -0.696
    2PA   Hn358 1123  -0.878  10.685  -0.671
    2PA   Ch359 1124  -1.101  10.691  -0.683
    2PA    H360 1125  -1.167  10.648  -0.759
    2PA    H361 1126  -1.111  10.798  -0.664
    2PA   Ch362 1127  -1.160  10.626  -0.559
    2PA    H363 1128  -1.105  10.633  -0.465
    2PA    H364 1129  -1.123  10.524  -0.554
    2PA   Ch365 1130  -1.311  10.626  -0.542
    2PA    H366 1131  -1.354  10.724  -0.522
    2PA    H367 1132  -1.366  10.596  -0.631
    2PA   Ch368 1133  -1.356  10.555  -0.415
    2PA    H369 1134  -1.315  10.609  -0.330
    2PA    H370 1135  -1.316  10.453  -0.419
    2PA   Ch371 1136  -1.505  10.533  -0.393
    2PA    H372 1137  -1.567  10.622  -0.382
    2PA    H373 1138  -1.537  10.470  -0.476
    2PA   Ch374 1139  -1.530  10.452  -0.266
    2PA    H375 1140  -1.475  10.499  -0.184
    2PA    H376 1141  -1.465  10.368  -0.292
    2PA    N377 1142  -1.672  10.425  -0.263
    2PA   Hn378 1143  -1.708  10.342  -0.309
    2PA   Ca379 1144  -1.775  10.475  -0.194
    2PA    O380 1145  -1.788  10.596  -0.181
    2PA   Ch381 1146  -1.834  10.380  -0.091
    2PA    H382 1147  -1.941  10.394  -0.103
    2PA    H383 1148  -1.792  10.281  -0.110
    2PA   Ch384 1149  -1.810  10.401   0.058
    2PA    H385 1150  -1.837  10.507   0.068
    2PA    H386 1151  -1.707  10.387   0.090
    2PA   Ch387 1152  -1.897  10.306   0.139
    2PA    H388 1153  -1.993  10.288   0.090
    2PA    H389 1154  -1.840  10.217   0.166
    2PA   Ch390 1155  -1.949  10.368   0.268
    2PA    H391 1156  -2.007  10.459   0.251
    2PA    H392 1157  -1.875  10.393   0.344
    2PA   Ca393 1158  -2.033  10.271   0.348
    2PA    O394 1159  -2.150  10.294   0.379
    2PA    N395 1160  -1.987  10.152   0.389
    2PA   Hn396 1161  -1.945  10.097   0.315
    2PA   Ch397 1162  -1.949  10.124   0.526
    2PA    H398 1163  -1.858  10.176   0.558
    2PA    H399 1164  -2.044  10.126   0.580
    2PA   Ch400 1165  -1.934   9.976   0.556
    2PA    H401 1166  -1.826   9.967   0.570
    2PA    H402 1167  -1.943   9.919   0.464
    2PA   Ch403 1168  -1.984   9.909   0.683
    2PA    H404 1169  -2.075   9.960   0.713
    2PA    H405 1170  -2.018   9.810   0.652
    2PA   Ch406 1171  -1.908   9.899   0.815
    2PA    H407 1172  -1.898  10.008   0.825
    2PA    H408 1173  -1.804   9.866   0.821
    2PA   Ch409 1174  -1.970   9.827   0.934
    2PA    H410 1175  -1.919   9.874   1.018
    2PA    H411 1176  -2.075   9.853   0.945
    2PA   Ch412 1177  -1.976   9.675   0.944
    2PA    H413 1178  -1.875   9.634   0.944
    2PA    H414 1179  -2.029   9.615   0.870
    2PA    N415 1180  -2.036   9.631   1.068
    2PA   Hn416 1181  -2.041   9.681   1.156
    2PA   Ca417 1182  -2.065   9.505   1.099
    2PA    O418 1183  -2.180   9.469   1.076
    2PA   Ch419 1184  -1.970   9.432   1.192
    2PA    H420 1185  -1.916   9.515   1.238
    2PA    H421 1186  -2.038   9.407   1.274
    2PA   Ch422 1187  -1.891   9.317   1.131
    2PA    H423 1188  -1.787   9.347   1.148
    2PA    H424 1189  -1.912   9.310   1.024
    2PA   Ch425 1190  -1.920   9.178   1.185
    2PA    H426 1191  -1.832   9.126   1.146
    2PA    H427 1192  -1.907   9.166   1.293
    2PA   Ch428 1193  -2.052   9.123   1.134
    2PA    H429 1194  -2.104   9.195   1.071
    2PA    H430 1195  -2.114   9.115   1.224
    2PA   Ca431 1196  -2.043   8.988   1.065
    2PA    O432 1197  -1.996   8.986   0.952
    2PA    N433 1198  -2.091   8.878   1.124
    2PA   Hn434 1199  -2.172   8.896   1.182
    2PA   Ch435 1200  -1.984   8.824   1.205
    2PA    H436 1201  -1.905   8.782   1.142
    2PA    H437 1202  -1.928   8.896   1.266
    2PA   Ch438 1203  -2.033   8.703   1.282
    2PA    H439 1204  -2.043   8.637   1.195
    2PA    H440 1205  -2.133   8.714   1.322
    2PA   Ch441 1206  -1.927   8.670   1.386
    2PA    H442 1207  -1.851   8.623   1.323
    2PA    H443 1208  -1.881   8.758   1.431
    2PA   Ch444 1209  -1.974   8.584   1.503
    2PA    H445 1210  -1.875   8.552   1.534
    2PA    H446 1211  -2.052   8.514   1.474
    2PA   Ch447 1212  -2.043   8.668   1.611
    2PA    H448 1213  -1.973   8.703   1.685
    2PA    H449 1214  -2.085   8.750   1.553
    2PA   Ch450 1215  -2.150   8.608   1.701
    2PA    H451 1216  -2.127   8.502   1.718
    2PA    H452 1217  -2.246   8.599   1.649
    2PA    N453 1218  -2.181   8.698   1.810
    2PA   Hn454 1219  -2.148   8.794   1.805
    2PA   Ca455 1220  -2.282   8.703   1.897
    2PA    O456 1221  -2.321   8.608   1.964
    2PA   Ch457 1222  -2.375   8.822   1.873
    2PA    H458 1223  -2.398   8.828   1.767
    2PA    H459 1224  -2.473   8.793   1.909
    2PA   Ch460 1225  -2.364   8.944   1.964
    2PA    H461 1226  -2.261   8.971   1.986
    2PA    H462 1227  -2.415   8.926   2.059
    2PA   Ch463 1228  -2.420   9.064   1.889
    2PA    H464 1229  -2.388   9.061   1.785
    2PA    H465 1230  -2.522   9.029   1.905
    2PA   Ch466 1231  -2.388   9.197   1.955
    2PA    H467 1232  -2.401   9.273   1.877
    2PA    H468 1233  -2.281   9.205   1.974
    2PA   Ca469 1234  -2.472   9.248   2.072
    2PA    O470 1235  -2.425   9.255   2.185
    2PA    N471 1236  -2.590   9.307   2.050
    2PA   Hn472 1237  -2.589   9.368   1.969
    2PA   Ch473 1238  -2.715   9.242   2.083
    2PA    H474 1239  -2.735   9.167   2.006
    2PA    H475 1240  -2.682   9.197   2.177
    2PA   Ch476 1241  -2.826   9.342   2.113
    2PA    H477 1242  -2.893   9.304   2.036
    2PA    H478 1243  -2.794   9.445   2.095
    2PA   Ch479 1244  -2.883   9.328   2.254
    2PA    H480 1245  -2.924   9.230   2.275
    2PA    H481 1246  -2.803   9.354   2.324
    2PA   Ch482 1247  -2.979   9.443   2.284
    2PA    H483 1248  -3.060   9.447   2.211
    2PA    H484 1249  -2.928   9.538   2.272
    2PA   Ch485 1250  -3.060   9.442   2.413
    2PA    H486 1251  -3.161   9.413   2.383
    2PA    H487 1252  -3.019   9.366   2.480
    2PA   Ch488 1253  -3.076   9.577   2.482
    2PA    H489 1254  -3.102   9.670   2.430
    2PA    H490 1255  -2.970   9.606   2.477
    2PA    N491 1256  -3.153   9.568   2.604
    2PA   Hn492 1257  -3.218   9.496   2.635
    2PA   Ca493 1258  -3.202   9.661   2.685
    2PA    O494 1259  -3.249   9.770   2.653
    2PA   Ch495 1260  -3.135   9.653   2.822
    2PA    H496 1261  -3.038   9.604   2.827
    2PA    H497 1262  -3.114   9.753   2.858
    2PA   Ch498 1263  -3.241   9.600   2.917
    2PA    H499 1264  -3.293   9.507   2.891
    2PA    H500 1265  -3.308   9.686   2.908
    2PA   Ch501 1266  -3.174   9.590   3.053
    2PA    H502 1267  -3.111   9.502   3.063
    2PA    H503 1268  -3.133   9.689   3.075
    2PA   Ch504 1269  -3.279   9.574   3.162
    2PA    H505 1270  -3.357   9.514   3.115
    2PA    H506 1271  -3.338   9.665   3.176
    2PA   Ca507 1272  -3.243   9.519   3.300
    2PA    O508 1273  -3.341   9.474   3.358
    2PA    N509 1274  -3.144   9.560   3.379
    2PA   Hn510 1275  -3.215   9.583   3.448
    2PA   Ch511 1276  -3.026   9.482   3.409
    2PA    H512 1277  -3.067   9.384   3.435
    2PA    H513 1278  -2.972   9.454   3.318
    2PA   Ch514 1279  -2.939   9.543   3.518
    2PA    H515 1280  -2.987   9.628   3.567
    2PA    H516 1281  -2.870   9.617   3.477
    2PA   Ch517 1282  -2.882   9.428   3.599
    2PA    H518 1283  -2.962   9.411   3.672
    2PA    H519 1284  -2.850   9.354   3.525
    2PA   Ch520 1285  -2.765   9.462   3.690
    2PA    H521 1286  -2.792   9.518   3.779
    2PA    H522 1287  -2.695   9.515   3.626
    2PA   Ch523 1288  -2.718   9.334   3.758
    2PA    H524 1289  -2.794   9.299   3.828
    2PA    H525 1290  -2.727   9.244   3.698
    2PA   Ch526 1291  -2.579   9.350   3.819
    2PA    H527 1292  -2.589   9.311   3.920
    2PA    H528 1293  -2.559   9.455   3.837
    2PA    N529 1294  -2.475   9.292   3.735
    2PA   Hn530 1295  -2.513   9.227   3.668
    2PA   Ca531 1296  -2.344   9.317   3.747
    2PA    O532 1297  -2.291   9.412   3.689
    2PA   Ch533 1298  -2.276   9.208   3.828
    2PA    H534 1299  -2.307   9.232   3.930
    2PA    H535 1300  -2.326   9.112   3.815
    2PA   Ch536 1301  -2.134   9.177   3.783
    2PA    H537 1302  -2.069   9.252   3.738
    2PA    H538 1303  -2.114   9.083   3.731
    2PA   Ch539 1304  -2.066   9.144   3.915
    2PA    H540 1305  -2.060   9.232   3.980
    2PA    H541 1306  -2.116   9.085   3.991
    2PA   Ch542 1307  -1.926   9.088   3.893
    2PA    H543 1308  -1.877   9.181   3.865
    2PA    H544 1309  -1.925   9.031   3.799
    2PA   Ca545 1310  -1.849   9.004   3.995
    2PA    O546 1311  -1.913   8.944   4.080
    2PA    N547 1312  -1.720   9.033   4.012
    2PA   Hn548 1313  -1.673   9.046   3.924
    2PA   Ch549 1314  -1.664   9.113   4.120
    2PA    H550 1315  -1.730   9.194   4.151
    2PA    H551 1316  -1.644   9.050   4.207
    2PA   Ch552 1317  -1.531   9.154   4.058
    2PA    H553 1318  -1.538   9.263   4.066
    2PA    H554 1319  -1.501   9.142   3.954
    2PA   Ch555 1320  -1.412   9.107   4.141
    2PA    H556 1321  -1.448   9.133   4.240
    2PA    H557 1322  -1.409   8.998   4.145
    2PA   Ch558 1323  -1.272   9.167   4.146
    2PA    H559 1324  -1.252   9.260   4.092
    2PA    H560 1325  -1.196   9.117   4.087
    2PA   Ch561 1326  -1.211   9.165   4.285
    2PA    H562 1327  -1.288   9.192   4.357
    2PA    H563 1328  -1.204   9.060   4.313
    2PA   Ch564 1329  -1.084   9.249   4.280
    2PA    H565 1330  -1.115   9.316   4.360
    2PA    H566 1331  -1.084   9.320   4.197
    2PA    N567 1332  -0.970   9.169   4.321
    2PA   Hn568 1333  -0.991   9.071   4.308
    2PA   Ca569 1334  -0.905   9.172   4.438
    2PA    O570 1335  -0.821   9.255   4.473
    2PA   Ch571 1336  -0.976   9.096   4.549
    2PA    H572 1337  -1.000   9.165   4.630
    2PA    H573 1338  -1.073   9.057   4.519
    2PA   Ch574 1339  -0.907   8.995   4.639
    2PA    H575 1340  -0.840   9.056   4.699
    2PA    H576 1341  -0.856   8.948   4.555
    2PA   Ch577 1342  -0.992   8.892   4.712
    2PA    H578 1343  -1.060   8.861   4.633
    2PA    H579 1344  -0.946   8.794   4.727
    2PA   Ch580 1345  -1.081   8.927   4.832
    2PA    H581 1346  -1.184   8.929   4.797
    2PA    H582 1347  -1.049   9.026   4.865
    2PA   Ca583 1348  -1.085   8.832   4.950
    2PA    O584 1349  -1.040   8.876   5.055
    2PA    N585 1350  -1.133   8.708   4.936
    2PA   Hn586 1351  -1.093   8.659   4.857
    2PA   Ch587 1352  -1.256   8.664   4.998
    2PA    H588 1353  -1.332   8.741   5.011
    2PA    H589 1354  -1.304   8.613   4.914
    2PA   Ch590 1355  -1.230   8.585   5.125
    2PA    H591 1356  -1.216   8.660   5.203
    2PA    H592 1357  -1.128   8.546   5.125
    2PA   Ch593 1358  -1.317   8.463   5.153
    2PA    H594 1359  -1.385   8.497   5.232
    2PA    H595 1360  -1.371   8.428   5.065
    2PA   Ch596 1361  -1.250   8.334   5.198
    2PA    H597 1362  -1.168   8.296   5.136
    2PA    H598 1363  -1.316   8.265   5.144
    2PA   Ch599 1364  -1.242   8.313   5.348
    2PA    H600 1365  -1.302   8.383   5.406
    2PA    H601 1366  -1.272   8.211   5.373
    2PA   Ch602 1367  -1.100   8.333   5.400
    2PA    H603 1368  -1.092   8.441   5.390
    2PA    H604 1369  -1.021   8.293   5.336
    2PA    N605 1370  -1.082   8.281   5.534
    2PA   Hn606 1371  -1.106   8.183   5.549
    2PA   Ca607 1372  -1.056   8.360   5.638
    2PA    O608 1373  -0.976   8.451   5.622
    2PA   Ch609 1374  -1.175   8.388   5.730
    2PA    H610 1375  -1.160   8.482   5.783
    2PA    H611 1376  -1.265   8.404   5.672
    2PA   Ch612 1377  -1.204   8.284   5.837
    2PA    H613 1378  -1.108   8.259   5.883
    2PA    H614 1379  -1.248   8.203   5.779
    2PA   Ch615 1380  -1.313   8.305   5.941
    2PA    H616 1381  -1.273   8.386   6.002
    2PA    H617 1382  -1.395   8.339   5.877
    2PA   Ch618 1383  -1.360   8.183   6.018
    2PA    H619 1384  -1.294   8.098   6.038
    2PA    H620 1385  -1.428   8.137   5.946
    2PA   Ca621 1386  -1.442   8.221   6.140
    2PA    O622 1387  -1.563   8.205   6.149
    2PA    N623 1388  -1.377   8.275   6.244
    2PA   Hn624 1389  -1.280   8.263   6.220
    2PA   Ch625 1390  -1.388   8.402   6.314
    2PA    H626 1391  -1.464   8.466   6.271
    2PA    H627 1392  -1.425   8.382   6.415
    2PA   Ch628 1393  -1.259   8.483   6.311
    2PA    H629 1394  -1.228   8.501   6.208
    2PA    H630 1395  -1.185   8.411   6.343
    2PA   Ch631 1396  -1.247   8.599   6.409
    2PA    H632 1397  -1.348   8.639   6.405
    2PA    H633 1398  -1.239   8.545   6.504
    2PA   Ch634 1399  -1.148   8.705   6.362
    2PA    H635 1400  -1.220   8.788   6.361
    2PA    H636 1401  -1.107   8.670   6.268
    2PA   Ch637 1402  -1.053   8.750   6.472
    2PA    H638 1403  -1.087   8.839   6.525
    2PA    H639 1404  -1.014   8.663   6.526
    2PA   Ch640 1405  -0.920   8.796   6.413
    2PA    H641 1406  -0.938   8.852   6.322
    2PA    H642 1407  -0.861   8.712   6.375
    2PA    N643 1408  -0.843   8.873   6.509
    2PA   Hn644 1409  -0.869   8.848   6.604
    2PA   Ca645 1410  -0.714   8.906   6.504
    2PA    O646 1411  -0.665   8.980   6.419
    2PA   Ch647 1412  -0.620   8.809   6.574
    2PA    H648 1413  -0.519   8.821   6.532
    2PA    H649 1414  -0.624   8.835   6.680
    2PA   Ch650 1415  -0.629   8.658   6.557
    2PA    H651 1416  -0.533   8.607   6.544
    2PA    H652 1417  -0.676   8.649   6.459
    2PA   Ch653 1418  -0.687   8.566   6.664
    2PA    H654 1419  -0.796   8.562   6.658
    2PA    H655 1420  -0.671   8.459   6.652
    2PA   Ch656 1421  -0.663   8.586   6.813
    2PA    H657 1422  -0.757   8.585   6.869
    2PA    H658 1423  -0.609   8.677   6.840
    2PA   Ca659 1424  -0.557   8.491   6.865
    2PA    O660 1425  -0.443   8.473   6.822
    2PA    N661 1426  -0.593   8.425   6.975
    2PA   Hn662 1427  -0.619   8.469   7.062
    2PA   Ch663 1428  -0.632   8.285   6.968
    2PA    H664 1429  -0.648   8.254   6.864
    2PA    H665 1430  -0.551   8.226   7.011
    2PA   Ch666 1431  -0.755   8.275   7.056
    2PA    H667 1432  -0.795   8.188   7.004
    2PA    H668 1433  -0.836   8.347   7.043
    2PA   Ch669 1434  -0.743   8.207   7.191
    2PA    H670 1435  -0.844   8.201   7.231
    2PA    H671 1436  -0.714   8.105   7.164
    2PA   Ch672 1437  -0.644   8.245   7.301
    2PA    H673 1438  -0.557   8.271   7.240
    2PA    H674 1439  -0.607   8.159   7.358
    2PA   Ch675 1440  -0.687   8.355   7.398
    2PA    H676 1441  -0.716   8.433   7.327
    2PA    H677 1442  -0.786   8.349   7.443
    2PA   Ch678 1443  -0.570   8.392   7.488
    2PA    H679 1444  -0.485   8.431   7.433
    2PA    H680 1445  -0.523   8.301   7.527
    2PA    N681 1446  -0.601   8.483   7.597
    2PA   Hn682 1447  -0.607   8.581   7.572
    2PA   Ca683 1448  -0.564   8.488   7.725
    2PA    O684 1449  -0.631   8.420   7.802
    2PA   Ch685 1450  -0.433   8.554   7.768
    2PA    H686 1451  -0.378   8.471   7.811
    2PA    H687 1452  -0.378   8.576   7.677
    2PA   Ch688 1453  -0.438   8.672   7.865
    2PA    H689 1454  -0.516   8.640   7.933
    2PA    H690 1455  -0.486   8.742   7.797
    2PA   Ch691 1456  -0.308   8.718   7.931
    2PA    H692 1457  -0.226   8.648   7.917
    2PA    H693 1458  -0.277   8.799   7.865
    2PA   Ch694 1459  -0.322   8.776   8.071
    2PA    H695 1460  -0.229   8.785   8.128
    2PA    H696 1461  -0.369   8.696   8.128
    2PA   Ca697 1462  -0.365   8.921   8.091
    2PA    O698 1463  -0.292   9.019   8.072
    2PA    N699 1464  -0.459   8.925   8.185
    2PA   Hn700 1465  -0.399   8.880   8.253
    2PA   Ch701 1466  -0.601   8.905   8.161
    2PA    H702 1467  -0.634   9.001   8.123
    2PA    H703 1468  -0.611   8.825   8.088
    2PA   Ch704 1469  -0.681   8.892   8.290
    2PA    H705 1470  -0.699   8.986   8.342
    2PA    H706 1471  -0.644   8.826   8.368
    2PA   Ch707 1472  -0.818   8.826   8.288
    2PA    H708 1473  -0.874   8.863   8.202
    2PA    H709 1474  -0.792   8.729   8.247
    2PA   Ch710 1475  -0.893   8.818   8.420
    2PA    H711 1476  -0.833   8.817   8.511
    2PA    H712 1477  -0.932   8.716   8.412
    2PA   Ch713 1478  -1.005   8.921   8.432
    2PA    H714 1479  -0.941   9.006   8.459
    2PA    H715 1480  -1.044   8.972   8.343
    2PA   Ch716 1481  -1.091   8.878   8.549
    2PA    H717 1482  -1.016   8.843   8.620
    2PA    H718 1483  -1.164   8.803   8.516
    2PA    N719 1484  -1.172   8.991   8.591
    2PA   Hn720 1485  -1.250   9.027   8.538
    2PA   Ca721 1486  -1.220   9.029   8.709
    2PA    O722 1487  -1.148   9.022   8.809
    2PA   Ch723 1488  -1.371   9.009   8.706
    2PA    H724 1489  -1.403   9.070   8.790
    2PA    H725 1490  -1.422   9.063   8.626
    2PA   Ch726 1491  -1.445   8.877   8.690
    2PA    H727 1492  -1.429   8.834   8.789
    2PA    H728 1493  -1.401   8.822   8.606
    2PA   Ch729 1494  -1.595   8.883   8.667
    2PA    H730 1495  -1.636   8.951   8.742
    2PA    H731 1496  -1.594   8.935   8.572
    2PA   Ch732 1497  -1.656   8.744   8.651
    2PA    H733 1498  -1.658   8.682   8.740
    2PA    H734 1499  -1.598   8.676   8.588
    2PA   Ca735 1500  -1.799   8.751   8.599
    2PA    O736 1501  -1.874   8.845   8.622
    2PA    N737 1502  -1.833   8.654   8.514
    2PA   Hn738 1503  -1.802   8.659   8.418
    2PA   Ch739 1504  -1.861   8.518   8.557
    2PA    H740 1505  -1.809   8.485   8.647
    2PA    H741 1506  -1.964   8.498   8.587
    2PA   Ch742 1507  -1.820   8.428   8.441
    2PA    H743 1508  -1.718   8.456   8.415
    2PA    H744 1509  -1.888   8.443   8.358
    2PA   Ch745 1510  -1.800   8.283   8.485
    2PA    H746 1511  -1.718   8.265   8.554
    2PA    H747 1512  -1.878   8.222   8.529
    2PA   Ch748 1513  -1.749   8.206   8.363
    2PA    H749 1514  -1.650   8.243   8.335
    2PA    H750 1515  -1.815   8.235   8.281
    2PA   Ch751 1516  -1.744   8.056   8.388
    2PA    H752 1517  -1.641   8.048   8.424
    2PA    H753 1518  -1.816   8.020   8.462
    2PA   Ch754 1519  -1.773   7.989   8.255
    2PA    H755 1520  -1.688   8.003   8.188
    2PA    H756 1521  -1.854   8.046   8.209
    2PA    N757 1522  -1.799   7.848   8.277
    2PA   Hn758 1523  -1.870   7.809   8.337
    2PA   Ca759 1524  -1.764   7.743   8.203
    2PA    O760 1525  -1.645   7.728   8.177
    2PA   Ch761 1526  -1.865   7.699   8.098
    2PA    H762 1527  -1.927   7.622   8.143
    2PA    H763 1528  -1.937   7.779   8.084
    2PA    H764 1529  -2.311  11.056   0.082
    2PA    H765 1530  -1.818   7.670   8.004
    3PA     Ch1 1531  -5.225   4.170  -8.715
    3PA      H2 1532  -5.201   4.203  -8.816
    3PA      H3 1533  -5.129   4.193  -8.669
    3PA     Ch4 1534  -5.251   4.020  -8.718
    3PA      H5 1535  -5.347   4.020  -8.770
    3PA      H6 1536  -5.270   3.985  -8.617
    3PA     Ch7 1537  -5.139   3.944  -8.788
    3PA      H8 1538  -5.040   3.962  -8.745
    3PA      H9 1539  -5.142   3.835  -8.777
    3PA    Ch10 1540  -5.130   3.970  -8.937
    3PA     H11 1541  -5.168   4.068  -8.966
    3PA     H12 1542  -5.192   3.891  -8.981
    3PA    Ca13 1543  -4.994   3.944  -9.000
    3PA     O14 1544  -4.942   3.833  -9.010
    3PA     N15 1545  -4.930   4.056  -9.037
    3PA    Hn16 1546  -4.943   4.111  -8.954
    3PA    Ch17 1547  -4.918   4.092  -9.177
    3PA     H18 1548  -5.003   4.068  -9.242
    3PA     H19 1549  -4.900   4.199  -9.188
    3PA    Ch20 1550  -4.803   4.005  -9.227
    3PA     H21 1551  -4.823   4.001  -9.335
    3PA     H22 1552  -4.815   3.904  -9.187
    3PA    Ch23 1553  -4.668   4.065  -9.192
    3PA     H24 1554  -4.588   4.031  -9.257
    3PA     H25 1555  -4.660   4.174  -9.200
    3PA    Ch26 1556  -4.612   4.021  -9.058
    3PA     H27 1557  -4.650   3.929  -9.013
    3PA     H28 1558  -4.665   4.085  -8.987
    3PA    Ch29 1559  -4.467   4.061  -9.034
    3PA     H30 1560  -4.404   3.981  -9.073
    3PA     H31 1561  -4.445   4.134  -9.112
    3PA    Ch32 1562  -4.425   4.111  -8.897
    3PA     H33 1563  -4.466   4.040  -8.825
    3PA     H34 1564  -4.434   4.216  -8.870
    3PA     N35 1565  -4.281   4.097  -8.901
    3PA    Hn36 1566  -4.253   4.000  -8.890
    3PA    Ca37 1567  -4.185   4.171  -8.958
    3PA     O38 1568  -4.165   4.284  -8.913
    3PA    Ch39 1569  -4.137   4.142  -9.099
    3PA     H40 1570  -4.195   4.053  -9.123
    3PA     H41 1571  -4.181   4.215  -9.166
    3PA    Ch42 1572  -3.992   4.106  -9.133
    3PA     H43 1573  -3.971   4.016  -9.191
    3PA     H44 1574  -3.935   4.101  -9.040
    3PA    Ch45 1575  -3.923   4.204  -9.227
    3PA     H46 1576  -3.994   4.231  -9.306
    3PA     H47 1577  -3.874   4.279  -9.166
    3PA    Ch48 1578  -3.800   4.152  -9.301
    3PA     H49 1579  -3.840   4.112  -9.394
    3PA     H50 1580  -3.754   4.086  -9.228
    3PA    Ca51 1581  -3.692   4.255  -9.333
    3PA     O52 1582  -3.657   4.279  -9.448
    3PA     N53 1583  -3.608   4.282  -9.233
    3PA    Hn54 1584  -3.663   4.289  -9.149
    3PA    Ch55 1585  -3.479   4.217  -9.227
    3PA     H56 1586  -3.492   4.117  -9.269
    3PA     H57 1587  -3.425   4.273  -9.304
    3PA    Ch58 1588  -3.434   4.211  -9.082
    3PA     H59 1589  -3.490   4.132  -9.032
    3PA     H60 1590  -3.455   4.308  -9.036
    3PA    Ch61 1591  -3.288   4.175  -9.059
    3PA     H62 1592  -3.261   4.079  -9.103
    3PA     H63 1593  -3.228   4.229  -9.132
    3PA    Ch64 1594  -3.217   4.199  -8.926
    3PA     H65 1595  -3.123   4.145  -8.909
    3PA     H66 1596  -3.290   4.171  -8.850
    3PA    Ch67 1597  -3.162   4.336  -8.890
    3PA     H68 1598  -3.119   4.337  -8.789
    3PA     H69 1599  -3.074   4.354  -8.952
    3PA    Ch70 1600  -3.267   4.444  -8.870
    3PA     H71 1601  -3.358   4.434  -8.811
    3PA     H72 1602  -3.304   4.467  -8.970
    3PA     N73 1603  -3.214   4.573  -8.832
    3PA    Hn74 1604  -3.127   4.574  -8.781
    3PA    Ca75 1605  -3.279   4.687  -8.808
    3PA     O76 1606  -3.304   4.757  -8.906
    3PA    Ch77 1607  -3.294   4.736  -8.665
    3PA     H78 1608  -3.291   4.645  -8.605
    3PA     H79 1609  -3.200   4.782  -8.636
    3PA    Ch80 1610  -3.409   4.825  -8.618
    3PA     H81 1611  -3.506   4.807  -8.665
    3PA     H82 1612  -3.382   4.930  -8.634
    3PA    Ch83 1613  -3.420   4.819  -8.467
    3PA     H84 1614  -3.454   4.725  -8.422
    3PA     H85 1615  -3.325   4.865  -8.440
    3PA    Ch86 1616  -3.518   4.921  -8.412
    3PA     H87 1617  -3.496   5.028  -8.413
    3PA     H88 1618  -3.487   4.896  -8.311
    3PA    Ca89 1619  -3.669   4.904  -8.427
    3PA     O90 1620  -3.721   4.793  -8.431
    3PA     N91 1621  -3.735   5.012  -8.384
    3PA    Hn92 1622  -3.702   5.102  -8.416
    3PA    Ch93 1623  -3.793   5.008  -8.251
    3PA     H94 1624  -3.845   4.915  -8.227
    3PA     H95 1625  -3.710   5.019  -8.182
    3PA    Ch96 1626  -3.906   5.106  -8.227
    3PA     H97 1627  -3.866   5.202  -8.261
    3PA     H98 1628  -3.929   5.127  -8.122
    3PA    Ch99 1629  -4.044   5.093  -8.290
    3PA    H100 1630  -4.097   5.187  -8.277
    3PA    H101 1631  -4.056   5.078  -8.398
    3PA   Ch102 1632  -4.150   5.001  -8.231
    3PA    H103 1633  -4.154   5.006  -8.122
    3PA    H104 1634  -4.118   4.897  -8.234
    3PA   Ch105 1635  -4.289   5.020  -8.289
    3PA    H106 1636  -4.336   5.115  -8.260
    3PA    H107 1637  -4.292   5.030  -8.397
    3PA   Ch108 1638  -4.375   4.899  -8.258
    3PA    H109 1639  -4.350   4.867  -8.156
    3PA    H110 1640  -4.347   4.822  -8.330
    3PA    N111 1641  -4.516   4.926  -8.275
    3PA   Hn112 1642  -4.549   5.019  -8.297
    3PA   Ca113 1643  -4.598   4.884  -8.178
    3PA    O114 1644  -4.616   4.764  -8.156
    3PA   Ch115 1645  -4.652   4.993  -8.086
    3PA    H116 1646  -4.639   4.951  -7.986
    3PA    H117 1647  -4.590   5.082  -8.089
    3PA   Ch118 1648  -4.788   5.051  -8.119
    3PA    H119 1649  -4.800   5.071  -8.226
    3PA    H120 1650  -4.794   5.151  -8.076
    3PA   Ch121 1651  -4.901   4.967  -8.061
    3PA    H122 1652  -4.979   5.002  -8.129
    3PA    H123 1653  -4.886   4.859  -8.068
    3PA   Ch124 1654  -4.957   5.020  -7.930
    3PA    H125 1655  -4.985   5.123  -7.949
    3PA    H126 1656  -4.893   5.025  -7.842
    3PA   Ca127 1657  -5.075   4.956  -7.857
    3PA    O128 1658  -5.106   4.970  -7.739
    3PA    N129 1659  -5.155   4.882  -7.935
    3PA   Hn130 1660  -5.151   4.940  -8.017
    3PA   Ch131 1661  -5.127   4.743  -7.964
    3PA    H132 1662  -5.026   4.717  -7.993
    3PA    H133 1663  -5.152   4.672  -7.885
    3PA   Ch134 1664  -5.217   4.707  -8.082
    3PA    H135 1665  -5.154   4.706  -8.171
    3PA    H136 1666  -5.301   4.776  -8.086
    3PA   Ch137 1667  -5.291   4.574  -8.078
    3PA    H138 1668  -5.330   4.536  -8.172
    3PA    H139 1669  -5.220   4.499  -8.041
    3PA   Ch140 1670  -5.403   4.558  -7.976
    3PA    H141 1671  -5.494   4.513  -8.014
    3PA    H142 1672  -5.459   4.646  -7.944
    3PA   Ch143 1673  -5.370   4.480  -7.849
    3PA    H144 1674  -5.267   4.450  -7.830
    3PA    H145 1675  -5.358   4.554  -7.770
    3PA   Ch146 1676  -5.477   4.379  -7.811
    3PA    H147 1677  -5.537   4.335  -7.891
    3PA    H148 1678  -5.534   4.422  -7.729
    3PA    N149 1679  -5.408   4.268  -7.748
    3PA   Hn150 1680  -5.453   4.234  -7.665
    3PA   Ca151 1681  -5.368   4.152  -7.800
    3PA    O152 1682  -5.265   4.154  -7.867
    3PA   Ch153 1683  -5.468   4.037  -7.809
    3PA    H154 1684  -5.569   4.073  -7.830
    3PA    H155 1685  -5.445   3.990  -7.905
    3PA   Ch156 1686  -5.471   3.923  -7.708
    3PA    H157 1687  -5.540   3.955  -7.630
    3PA    H158 1688  -5.370   3.907  -7.670
    3PA   Ch159 1689  -5.494   3.781  -7.757
    3PA    H160 1690  -5.505   3.792  -7.865
    3PA    H161 1691  -5.397   3.731  -7.763
    3PA   Ch162 1692  -5.605   3.710  -7.680
    3PA    H163 1693  -5.685   3.758  -7.736
    3PA    H164 1694  -5.604   3.734  -7.573
    3PA   Ca165 1695  -5.623   3.560  -7.699
    3PA    O166 1696  -5.691   3.510  -7.788
    3PA    N167 1697  -5.604   3.483  -7.591
    3PA   Hn168 1698  -5.516   3.525  -7.565
    3PA   Ch169 1699  -5.708   3.448  -7.497
    3PA    H170 1700  -5.652   3.430  -7.405
    3PA    H171 1701  -5.785   3.524  -7.485
    3PA   Ch172 1702  -5.783   3.324  -7.546
    3PA    H173 1703  -5.726   3.243  -7.500
    3PA    H174 1704  -5.766   3.309  -7.652
    3PA   Ch175 1705  -5.933   3.303  -7.534
    3PA    H176 1706  -5.962   3.399  -7.490
    3PA    H177 1707  -5.982   3.305  -7.632
    3PA   Ch178 1708  -6.005   3.202  -7.446
    3PA    H179 1709  -5.962   3.221  -7.348
    3PA    H180 1710  -5.965   3.113  -7.495
    3PA   Ch181 1711  -6.157   3.199  -7.453
    3PA    H182 1712  -6.199   3.300  -7.448
    3PA    H183 1713  -6.195   3.146  -7.540
    3PA   Ch184 1714  -6.194   3.115  -7.331
    3PA    H185 1715  -6.132   3.152  -7.249
    3PA    H186 1716  -6.155   3.014  -7.339
    3PA    N187 1717  -6.333   3.138  -7.294
    3PA   Hn188 1718  -6.393   3.106  -7.369
    3PA   Ca189 1719  -6.378   3.090  -7.179
    3PA    O190 1720  -6.401   3.173  -7.091
    3PA   Ch191 1721  -6.438   2.950  -7.193
    3PA    H192 1722  -6.547   2.944  -7.202
    3PA    H193 1723  -6.416   2.903  -7.289
    3PA   Ch194 1724  -6.380   2.856  -7.088
    3PA    H195 1725  -6.402   2.897  -6.989
    3PA    H196 1726  -6.278   2.859  -7.126
    3PA   Ch197 1727  -6.431   2.714  -7.099
    3PA    H198 1728  -6.536   2.729  -7.073
    3PA    H199 1729  -6.420   2.671  -7.199
    3PA   Ch200 1730  -6.360   2.617  -7.005
    3PA    H201 1731  -6.282   2.663  -6.945
    3PA    H202 1732  -6.287   2.559  -7.061
    3PA   Ca203 1733  -6.453   2.528  -6.923
    3PA    O204 1734  -6.475   2.543  -6.802
    3PA    N205 1735  -6.533   2.451  -6.996
    3PA   Hn206 1736  -6.479   2.401  -7.064
    3PA   Ch207 1737  -6.676   2.469  -7.015
    3PA    H208 1738  -6.737   2.458  -6.926
    3PA    H209 1739  -6.697   2.574  -7.034
    3PA   Ch210 1740  -6.734   2.387  -7.129
    3PA    H211 1741  -6.678   2.294  -7.141
    3PA    H212 1742  -6.699   2.439  -7.218
    3PA   Ch213 1743  -6.882   2.348  -7.132
    3PA    H214 1744  -6.890   2.349  -7.241
    3PA    H215 1745  -6.911   2.247  -7.104
    3PA   Ch216 1746  -6.985   2.436  -7.062
    3PA    H217 1747  -6.990   2.524  -7.126
    3PA    H218 1748  -6.954   2.491  -6.973
    3PA   Ch219 1749  -7.129   2.389  -7.053
    3PA    H220 1750  -7.173   2.488  -7.035
    3PA    H221 1751  -7.159   2.351  -7.151
    3PA   Ch222 1752  -7.153   2.281  -6.949
    3PA    H223 1753  -7.072   2.272  -6.877
    3PA    H224 1754  -7.168   2.183  -6.995
    3PA    N225 1755  -7.272   2.311  -6.872
    3PA   Hn226 1756  -7.246   2.388  -6.813
    3PA   Ca227 1757  -7.360   2.236  -6.806
    3PA    O228 1758  -7.436   2.156  -6.860
    3PA   Ch229 1759  -7.341   2.244  -6.655
    3PA    H230 1760  -7.241   2.277  -6.629
    3PA    H231 1761  -7.394   2.333  -6.622
    3PA   Ch232 1762  -7.403   2.130  -6.575
    3PA    H233 1763  -7.371   2.031  -6.610
    3PA    H234 1764  -7.511   2.126  -6.592
    3PA   Ch235 1765  -7.363   2.132  -6.428
    3PA    H236 1766  -7.256   2.154  -6.437
    3PA    H237 1767  -7.413   2.224  -6.399
    3PA   Ch238 1768  -7.376   2.011  -6.337
    3PA    H239 1769  -7.484   2.007  -6.321
    3PA    H240 1770  -7.346   1.937  -6.412
    3PA   Ca241 1771  -7.298   2.009  -6.206
    3PA    O242 1772  -7.343   2.043  -6.097
    3PA    N243 1773  -7.215   1.906  -6.190
    3PA   Hn244 1774  -7.163   1.901  -6.277
    3PA   Ch245 1775  -7.217   1.787  -6.107
    3PA    H246 1776  -7.317   1.765  -6.070
    3PA    H247 1777  -7.201   1.689  -6.152
    3PA   Ch248 1778  -7.109   1.763  -6.002
    3PA    H249 1779  -7.026   1.833  -5.999
    3PA    H250 1780  -7.051   1.674  -6.028
    3PA   Ch251 1781  -7.148   1.765  -5.855
    3PA    H252 1782  -7.252   1.786  -5.831
    3PA    H253 1783  -7.132   1.665  -5.815
    3PA   Ch254 1784  -7.077   1.858  -5.757
    3PA    H255 1785  -7.096   1.958  -5.795
    3PA    H256 1786  -6.973   1.828  -5.773
    3PA   Ch257 1787  -7.087   1.830  -5.608
    3PA    H258 1788  -7.192   1.808  -5.591
    3PA    H259 1789  -7.033   1.737  -5.586
    3PA   Ch260 1790  -7.017   1.942  -5.532
    3PA    H261 1791  -7.087   2.011  -5.485
    3PA    H262 1792  -6.951   2.005  -5.591
    3PA    N263 1793  -6.940   1.883  -5.424
    3PA   Hn264 1794  -6.890   1.800  -5.453
    3PA   Ca265 1795  -6.853   1.929  -5.335
    3PA    O266 1796  -6.891   2.018  -5.259
    3PA   Ch267 1797  -6.707   1.911  -5.375
    3PA    H268 1798  -6.637   1.852  -5.317
    3PA    H269 1799  -6.700   1.856  -5.469
    3PA   Ch270 1800  -6.626   2.036  -5.408
    3PA    H271 1801  -6.631   2.094  -5.316
    3PA    H272 1802  -6.676   2.101  -5.479
    3PA   Ch273 1803  -6.497   2.020  -5.488
    3PA    H274 1804  -6.435   1.938  -5.450
    3PA    H275 1805  -6.531   1.987  -5.586
    3PA   Ch276 1806  -6.402   2.138  -5.497
    3PA    H277 1807  -6.327   2.129  -5.418
    3PA    H278 1808  -6.453   2.230  -5.469
    3PA   Ca279 1809  -6.305   2.150  -5.614
    3PA    O280 1810  -6.220   2.064  -5.637
    3PA    N281 1811  -6.301   2.271  -5.672
    3PA   Hn282 1812  -6.401   2.286  -5.674
    3PA   Ch283 1813  -6.217   2.385  -5.645
    3PA    H284 1814  -6.233   2.388  -5.537
    3PA    H285 1815  -6.121   2.367  -5.694
    3PA   Ch286 1816  -6.273   2.520  -5.690
    3PA    H287 1817  -6.250   2.581  -5.603
    3PA    H288 1818  -6.381   2.518  -5.704
    3PA   Ch289 1819  -6.214   2.607  -5.800
    3PA    H290 1820  -6.105   2.608  -5.802
    3PA    H291 1821  -6.251   2.568  -5.895
    3PA   Ch292 1822  -6.268   2.744  -5.837
    3PA    H293 1823  -6.289   2.790  -5.741
    3PA    H294 1824  -6.367   2.739  -5.882
    3PA   Ch295 1825  -6.172   2.838  -5.909
    3PA    H296 1826  -6.093   2.874  -5.843
    3PA    H297 1827  -6.121   2.788  -5.992
    3PA   Ch298 1828  -6.253   2.955  -5.963
    3PA    H299 1829  -6.282   3.022  -5.882
    3PA    H300 1830  -6.335   2.910  -6.020
    3PA    N301 1831  -6.169   3.023  -6.060
    3PA   Hn302 1832  -6.115   3.096  -6.018
    3PA   Ca303 1833  -6.220   3.077  -6.171
    3PA    O304 1834  -6.229   3.010  -6.273
    3PA   Ch305 1835  -6.229   3.229  -6.175
    3PA    H306 1836  -6.231   3.275  -6.274
    3PA    H307 1837  -6.333   3.248  -6.148
    3PA   Ch308 1838  -6.161   3.323  -6.077
    3PA    H309 1839  -6.071   3.362  -6.125
    3PA    H310 1840  -6.131   3.283  -5.980
    3PA   Ch311 1841  -6.247   3.437  -6.025
    3PA    H312 1842  -6.348   3.396  -6.034
    3PA    H313 1843  -6.248   3.443  -5.916
    3PA   Ch314 1844  -6.230   3.581  -6.071
    3PA    H315 1845  -6.237   3.588  -6.180
    3PA    H316 1846  -6.125   3.600  -6.046
    3PA   Ca317 1847  -6.321   3.691  -6.019
    3PA    O318 1848  -6.341   3.712  -5.900
    3PA    N319 1849  -6.370   3.782  -6.105
    3PA   Hn320 1850  -6.306   3.809  -6.178
    3PA   Ch321 1851  -6.503   3.783  -6.161
    3PA    H322 1852  -6.489   3.760  -6.267
    3PA    H323 1853  -6.576   3.725  -6.104
    3PA   Ch324 1854  -6.560   3.923  -6.142
    3PA    H325 1855  -6.526   3.969  -6.049
    3PA    H326 1856  -6.669   3.917  -6.146
    3PA   Ch327 1857  -6.540   4.021  -6.257
    3PA    H328 1858  -6.444   4.073  -6.257
    3PA    H329 1859  -6.542   3.983  -6.360
    3PA   Ch330 1860  -6.628   4.144  -6.245
    3PA    H331 1861  -6.565   4.231  -6.225
    3PA    H332 1862  -6.709   4.135  -6.172
    3PA   Ch333 1863  -6.728   4.157  -6.359
    3PA    H334 1864  -6.661   4.145  -6.445
    3PA    H335 1865  -6.801   4.077  -6.375
    3PA   Ch336 1866  -6.784   4.292  -6.401
    3PA    H337 1867  -6.740   4.342  -6.488
    3PA    H338 1868  -6.769   4.355  -6.313
    3PA    N339 1869  -6.927   4.275  -6.408
    3PA   Hn340 1870  -6.977   4.224  -6.335
    3PA   Ca341 1871  -7.037   4.327  -6.463
    3PA    O342 1872  -7.030   4.358  -6.582
    3PA   Ch343 1873  -7.109   4.429  -6.376
    3PA    H344 1874  -7.062   4.440  -6.279
    3PA    H345 1875  -7.088   4.532  -6.405
    3PA   Ch346 1876  -7.257   4.400  -6.354
    3PA    H347 1877  -7.283   4.300  -6.318
    3PA    H348 1878  -7.314   4.393  -6.447
    3PA   Ch349 1879  -7.335   4.468  -6.243
    3PA    H350 1880  -7.430   4.463  -6.295
    3PA    H351 1881  -7.335   4.405  -6.153
    3PA   Ch352 1882  -7.311   4.613  -6.203
    3PA    H353 1883  -7.298   4.670  -6.295
    3PA    H354 1884  -7.216   4.608  -6.151
    3PA   Ca355 1885  -7.407   4.688  -6.112
    3PA    O356 1886  -7.387   4.692  -5.991
    3PA    N357 1887  -7.469   4.793  -6.166
    3PA   Hn358 1888  -7.535   4.755  -6.231
    3PA   Ch359 1889  -7.445   4.935  -6.182
    3PA    H360 1890  -7.359   4.973  -6.127
    3PA    H361 1891  -7.422   4.945  -6.288
    3PA   Ch362 1892  -7.572   5.011  -6.144
    3PA    H363 1893  -7.598   5.014  -6.038
    3PA    H364 1894  -7.650   4.975  -6.212
    3PA   Ch365 1895  -7.582   5.160  -6.173
    3PA    H366 1896  -7.531   5.181  -6.267
    3PA    H367 1897  -7.684   5.167  -6.212
    3PA   Ch368 1898  -7.537   5.247  -6.057
    3PA    H369 1899  -7.570   5.206  -5.961
    3PA    H370 1900  -7.578   5.344  -6.081
    3PA   Ch371 1901  -7.386   5.252  -6.037
    3PA    H372 1902  -7.370   5.162  -5.977
    3PA    H373 1903  -7.323   5.243  -6.125
    3PA   Ch374 1904  -7.348   5.386  -5.974
    3PA    H375 1905  -7.392   5.408  -5.877
    3PA    H376 1906  -7.388   5.459  -6.045
    3PA    N377 1907  -7.206   5.381  -5.949
    3PA   Hn378 1908  -7.145   5.304  -5.972
    3PA   Ca379 1909  -7.138   5.451  -5.857
    3PA    O380 1910  -7.114   5.566  -5.891
    3PA   Ch381 1911  -7.121   5.399  -5.715
    3PA    H382 1912  -7.130   5.493  -5.661
    3PA    H383 1913  -7.184   5.311  -5.697
    3PA   Ch384 1914  -6.984   5.332  -5.712
    3PA    H385 1915  -6.974   5.259  -5.793
    3PA    H386 1916  -6.997   5.269  -5.623
    3PA   Ch387 1917  -6.854   5.408  -5.693
    3PA    H388 1918  -6.867   5.516  -5.699
    3PA    H389 1919  -6.813   5.404  -5.592
    3PA   Ch390 1920  -6.740   5.388  -5.791
    3PA    H391 1921  -6.745   5.457  -5.875
    3PA    H392 1922  -6.767   5.291  -5.833
    3PA   Ca393 1923  -6.597   5.382  -5.737
    3PA    O394 1924  -6.511   5.470  -5.740
    3PA    N395 1925  -6.542   5.264  -5.710
    3PA   Hn396 1926  -6.608   5.238  -5.638
    3PA   Ch397 1927  -6.461   5.192  -5.806
    3PA    H398 1928  -6.489   5.217  -5.909
    3PA    H399 1929  -6.357   5.224  -5.795
    3PA   Ch400 1930  -6.468   5.041  -5.784
    3PA    H401 1931  -6.561   4.984  -5.782
    3PA    H402 1932  -6.422   5.032  -5.687
    3PA   Ch403 1933  -6.369   4.976  -5.879
    3PA    H404 1934  -6.337   5.024  -5.972
    3PA    H405 1935  -6.272   4.956  -5.834
    3PA   Ch406 1936  -6.422   4.850  -5.947
    3PA    H407 1937  -6.456   4.886  -6.044
    3PA    H408 1938  -6.517   4.808  -5.914
    3PA   Ch409 1939  -6.318   4.753  -6.002
    3PA    H410 1940  -6.338   4.730  -6.107
    3PA    H411 1941  -6.223   4.804  -6.013
    3PA   Ch412 1942  -6.310   4.622  -5.925
    3PA    H413 1943  -6.361   4.624  -5.828
    3PA    H414 1944  -6.203   4.611  -5.909
    3PA    N415 1945  -6.375   4.509  -5.987
    3PA   Hn416 1946  -6.471   4.533  -6.008
    3PA   Ca417 1947  -6.358   4.376  -5.986
    3PA    O418 1948  -6.271   4.316  -6.049
    3PA   Ch419 1949  -6.471   4.283  -5.944
    3PA    H420 1950  -6.567   4.309  -5.989
    3PA    H421 1951  -6.468   4.189  -5.999
    3PA   Ch422 1952  -6.496   4.240  -5.800
    3PA    H423 1953  -6.600   4.271  -5.801
    3PA    H424 1954  -6.447   4.307  -5.729
    3PA   Ch425 1955  -6.466   4.094  -5.768
    3PA    H426 1956  -6.511   4.071  -5.671
    3PA    H427 1957  -6.541   4.038  -5.824
    3PA   Ch428 1958  -6.320   4.051  -5.770
    3PA    H429 1959  -6.257   4.130  -5.811
    3PA    H430 1960  -6.313   3.980  -5.852
    3PA   Ca431 1961  -6.255   4.001  -5.642
    3PA    O432 1962  -6.258   4.065  -5.537
    3PA    N433 1963  -6.218   3.873  -5.643
    3PA   Hn434 1964  -6.272   3.823  -5.713
    3PA   Ch435 1965  -6.081   3.831  -5.621
    3PA    H436 1966  -6.021   3.861  -5.707
    3PA    H437 1967  -6.040   3.891  -5.540
    3PA   Ch438 1968  -6.080   3.687  -5.572
    3PA    H439 1969  -5.976   3.654  -5.572
    3PA    H440 1970  -6.132   3.620  -5.641
    3PA   Ch441 1971  -6.116   3.679  -5.424
    3PA    H442 1972  -6.020   3.696  -5.376
    3PA    H443 1973  -6.179   3.762  -5.390
    3PA   Ch444 1974  -6.168   3.548  -5.367
    3PA    H445 1975  -6.111   3.457  -5.390
    3PA    H446 1976  -6.269   3.566  -5.404
    3PA   Ch447 1977  -6.173   3.526  -5.217
    3PA    H448 1978  -6.072   3.539  -5.178
    3PA    H449 1979  -6.236   3.603  -5.173
    3PA   Ch450 1980  -6.224   3.398  -5.152
    3PA    H451 1981  -6.174   3.306  -5.181
    3PA    H452 1982  -6.333   3.391  -5.157
    3PA    N453 1983  -6.189   3.403  -5.011
    3PA   Hn454 1984  -6.260   3.403  -4.940
    3PA   Ca455 1985  -6.091   3.352  -4.936
    3PA    O456 1986  -5.978   3.392  -4.960
    3PA   Ch457 1987  -6.099   3.215  -4.870
    3PA    H458 1988  -6.067   3.227  -4.767
    3PA    H459 1989  -6.201   3.180  -4.855
    3PA   Ch460 1990  -6.036   3.087  -4.924
    3PA    H461 1991  -5.934   3.119  -4.948
    3PA    H462 1992  -6.091   3.068  -5.016
    3PA   Ch463 1993  -6.055   2.965  -4.836
    3PA    H464 1994  -6.014   3.000  -4.741
    3PA    H465 1995  -6.163   2.967  -4.820
    3PA   Ch466 1996  -6.001   2.829  -4.879
    3PA    H467 1997  -5.894   2.835  -4.862
    3PA    H468 1998  -6.016   2.837  -4.987
    3PA   Ca469 1999  -6.069   2.704  -4.823
    3PA    O470 2000  -6.175   2.650  -4.853
    3PA    N471 2001  -5.994   2.649  -4.728
    3PA   Hn472 2002  -5.901   2.655  -4.767
    3PA   Ch473 2003  -6.005   2.667  -4.584
    3PA    H474 2004  -5.963   2.758  -4.542
    3PA    H475 2005  -6.100   2.658  -4.531
    3PA   Ch476 2006  -5.897   2.578  -4.523
    3PA    H477 2007  -5.803   2.597  -4.575
    3PA    H478 2008  -5.924   2.475  -4.548
    3PA   Ch479 2009  -5.868   2.565  -4.374
    3PA    H480 2010  -5.833   2.659  -4.332
    3PA    H481 2011  -5.959   2.537  -4.321
    3PA   Ch482 2012  -5.758   2.461  -4.355
    3PA    H483 2013  -5.709   2.472  -4.259
    3PA    H484 2014  -5.673   2.476  -4.422
    3PA   Ch485 2015  -5.798   2.315  -4.361
    3PA    H486 2016  -5.880   2.316  -4.289
    3PA    H487 2017  -5.830   2.263  -4.451
    3PA   Ch488 2018  -5.701   2.210  -4.309
    3PA    H489 2019  -5.638   2.263  -4.238
    3PA    H490 2020  -5.614   2.186  -4.371
    3PA    N491 2021  -5.761   2.102  -4.232
    3PA   Hn492 2022  -5.797   2.134  -4.144
    3PA   Ca493 2023  -5.723   1.977  -4.206
    3PA    O494 2024  -5.749   1.887  -4.286
    3PA   Ch495 2025  -5.679   1.948  -4.063
    3PA    H496 2026  -5.710   2.025  -3.992
    3PA    H497 2027  -5.735   1.860  -4.032
    3PA   Ch498 2028  -5.529   1.930  -4.050
    3PA    H499 2029  -5.482   1.993  -4.126
    3PA    H500 2030  -5.525   1.827  -4.087
    3PA   Ch501 2031  -5.479   1.968  -3.911
    3PA    H502 2032  -5.482   2.077  -3.903
    3PA    H503 2033  -5.540   1.936  -3.826
    3PA   Ch504 2034  -5.339   1.916  -3.885
    3PA    H505 2035  -5.327   1.977  -3.795
    3PA    H506 2036  -5.280   1.959  -3.966
    3PA   Ca507 2037  -5.324   1.769  -3.850
    3PA    O508 2038  -5.273   1.694  -3.933
    3PA    N509 2039  -5.354   1.714  -3.732
    3PA   Hn510 2040  -5.417   1.788  -3.702
    3PA   Ch511 2041  -5.271   1.650  -3.632
    3PA    H512 2042  -5.195   1.580  -3.669
    3PA    H513 2043  -5.209   1.729  -3.588
    3PA   Ch514 2044  -5.365   1.567  -3.546
    3PA    H515 2045  -5.445   1.510  -3.594
    3PA    H516 2046  -5.427   1.638  -3.491
    3PA   Ch517 2047  -5.299   1.477  -3.443
    3PA    H518 2048  -5.252   1.399  -3.503
    3PA    H519 2049  -5.214   1.531  -3.402
    3PA   Ch520 2050  -5.399   1.439  -3.334
    3PA    H521 2051  -5.483   1.487  -3.285
    3PA    H522 2052  -5.332   1.434  -3.248
    3PA   Ch523 2053  -5.438   1.293  -3.317
    3PA    H524 2054  -5.479   1.292  -3.417
    3PA    H525 2055  -5.352   1.232  -3.344
    3PA   Ch526 2056  -5.501   1.227  -3.195
    3PA    H527 2057  -5.610   1.230  -3.200
    3PA    H528 2058  -5.482   1.303  -3.119
    3PA    N529 2059  -5.439   1.104  -3.148
    3PA   Hn530 2060  -5.338   1.102  -3.136
    3PA   Ca531 2061  -5.469   0.976  -3.168
    3PA    O532 2062  -5.586   0.941  -3.151
    3PA   Ch533 2063  -5.370   0.893  -3.249
    3PA    H534 2064  -5.411   0.792  -3.245
    3PA    H535 2065  -5.390   0.936  -3.347
    3PA   Ch536 2066  -5.221   0.890  -3.218
    3PA    H537 2067  -5.214   0.871  -3.110
    3PA    H538 2068  -5.168   0.985  -3.220
    3PA   Ch539 2069  -5.134   0.794  -3.298
    3PA    H540 2070  -5.195   0.766  -3.384
    3PA    H541 2071  -5.046   0.848  -3.333
    3PA   Ch542 2072  -5.113   0.665  -3.221
    3PA    H543 2073  -5.206   0.632  -3.175
    3PA    H544 2074  -5.053   0.706  -3.139
    3PA   Ca545 2075  -5.041   0.557  -3.300
    3PA    O546 2076  -4.924   0.538  -3.264
    3PA    N547 2077  -5.099   0.516  -3.412
    3PA   Hn548 2078  -5.197   0.538  -3.402
    3PA   Ch549 2079  -5.055   0.545  -3.548
    3PA    H550 2080  -4.994   0.632  -3.570
    3PA    H551 2081  -4.992   0.462  -3.579
    3PA   Ch552 2082  -5.180   0.553  -3.635
    3PA    H553 2083  -5.257   0.619  -3.594
    3PA    H554 2084  -5.227   0.457  -3.657
    3PA   Ch555 2085  -5.150   0.617  -3.769
    3PA    H556 2086  -5.090   0.704  -3.740
    3PA    H557 2087  -5.095   0.552  -3.837
    3PA   Ch558 2088  -5.262   0.686  -3.847
    3PA    H559 2089  -5.300   0.773  -3.793
    3PA    H560 2090  -5.350   0.623  -3.859
    3PA   Ch561 2091  -5.225   0.748  -3.981
    3PA    H562 2092  -5.133   0.803  -3.963
    3PA    H563 2093  -5.184   0.681  -4.057
    3PA   Ch564 2094  -5.324   0.835  -4.058
    3PA    H565 2095  -5.360   0.900  -3.979
    3PA    H566 2096  -5.405   0.773  -4.095
    3PA    N567 2097  -5.270   0.915  -4.167
    3PA   Hn568 2098  -5.333   0.974  -4.220
    3PA   Ca569 2099  -5.171   1.004  -4.170
    3PA    O570 2100  -5.056   0.963  -4.185
    3PA   Ch571 2101  -5.206   1.150  -4.198
    3PA    H572 2102  -5.117   1.190  -4.248
    3PA    H573 2103  -5.286   1.158  -4.270
    3PA   Ch574 2104  -5.236   1.245  -4.083
    3PA    H575 2105  -5.186   1.212  -3.992
    3PA    H576 2106  -5.338   1.218  -4.054
    3PA   Ch577 2107  -5.189   1.389  -4.095
    3PA    H578 2108  -5.215   1.427  -4.194
    3PA    H579 2109  -5.258   1.443  -4.030
    3PA   Ch580 2110  -5.041   1.414  -4.069
    3PA    H581 2111  -5.025   1.489  -4.146
    3PA    H582 2112  -4.991   1.326  -4.110
    3PA   Ca583 2113  -4.978   1.454  -3.936
    3PA    O584 2114  -4.973   1.377  -3.841
    3PA    N585 2115  -4.980   1.578  -3.886
    3PA   Hn586 2116  -5.076   1.600  -3.912
    3PA   Ch587 2117  -4.877   1.680  -3.883
    3PA    H588 2118  -4.803   1.658  -3.807
    3PA    H589 2119  -4.814   1.680  -3.972
    3PA   Ch590 2120  -4.931   1.807  -3.820
    3PA    H591 2121  -4.946   1.786  -3.714
    3PA    H592 2122  -5.036   1.813  -3.851
    3PA   Ch593 2123  -4.871   1.938  -3.870
    3PA    H594 2124  -4.857   1.924  -3.978
    3PA    H595 2125  -4.949   2.009  -3.844
    3PA   Ch596 2126  -4.736   1.965  -3.804
    3PA    H597 2127  -4.752   1.971  -3.697
    3PA    H598 2128  -4.705   2.065  -3.836
    3PA   Ch599 2129  -4.609   1.882  -3.818
    3PA    H600 2130  -4.651   1.785  -3.792
    3PA    H601 2131  -4.589   1.898  -3.924
    3PA   Ch602 2132  -4.490   1.918  -3.729
    3PA    H603 2133  -4.511   2.018  -3.690
    3PA    H604 2134  -4.399   1.910  -3.789
    3PA    N605 2135  -4.493   1.842  -3.606
    3PA   Hn606 2136  -4.579   1.837  -3.554
    3PA   Ca607 2137  -4.384   1.815  -3.535
    3PA    O608 2138  -4.300   1.734  -3.574
    3PA   Ch609 2139  -4.380   1.881  -3.397
    3PA    H610 2140  -4.465   1.947  -3.385
    3PA    H611 2141  -4.391   1.804  -3.321
    3PA   Ch612 2142  -4.251   1.960  -3.378
    3PA    H613 2143  -4.288   2.060  -3.357
    3PA    H614 2144  -4.188   1.958  -3.467
    3PA   Ch615 2145  -4.172   1.916  -3.256
    3PA    H616 2146  -4.163   1.811  -3.284
    3PA    H617 2147  -4.070   1.955  -3.248
    3PA   Ch618 2148  -4.216   1.930  -3.110
    3PA    H619 2149  -4.287   2.008  -3.086
    3PA    H620 2150  -4.127   1.963  -3.056
    3PA   Ca621 2151  -4.287   1.818  -3.035
    3PA    O622 2152  -4.396   1.776  -3.074
    3PA    N623 2153  -4.220   1.764  -2.933
    3PA   Hn624 2154  -4.134   1.733  -2.977
    3PA   Ch625 2155  -4.216   1.809  -2.796
    3PA    H626 2156  -4.151   1.897  -2.790
    3PA    H627 2157  -4.311   1.849  -2.759
    3PA   Ch628 2158  -4.164   1.696  -2.708
    3PA    H629 2159  -4.170   1.601  -2.761
    3PA    H630 2160  -4.235   1.705  -2.626
    3PA   Ch631 2161  -4.026   1.720  -2.650
    3PA    H632 2162  -3.960   1.719  -2.737
    3PA    H633 2163  -4.030   1.825  -2.620
    3PA   Ch634 2164  -3.987   1.657  -2.517
    3PA    H635 2165  -3.987   1.548  -2.524
    3PA    H636 2166  -4.057   1.683  -2.437
    3PA   Ch637 2167  -3.843   1.689  -2.478
    3PA    H638 2168  -3.810   1.792  -2.495
    3PA    H639 2169  -3.846   1.673  -2.370
    3PA   Ch640 2170  -3.732   1.610  -2.544
    3PA    H641 2171  -3.676   1.673  -2.613
    3PA    H642 2172  -3.786   1.548  -2.617
    3PA    N643 2173  -3.632   1.564  -2.449
    3PA   Hn644 2174  -3.558   1.631  -2.434
    3PA   Ca645 2175  -3.574   1.446  -2.426
    3PA    O646 2176  -3.619   1.362  -2.349
    3PA   Ch647 2177  -3.437   1.436  -2.492
    3PA    H648 2178  -3.429   1.471  -2.595
    3PA    H649 2179  -3.373   1.501  -2.433
    3PA   Ch650 2180  -3.347   1.313  -2.493
    3PA    H651 2181  -3.349   1.258  -2.399
    3PA    H652 2182  -3.238   1.320  -2.495
    3PA   Ch653 2183  -3.371   1.231  -2.619
    3PA    H654 2184  -3.354   1.281  -2.715
    3PA    H655 2185  -3.290   1.159  -2.619
    3PA   Ch656 2186  -3.497   1.153  -2.652
    3PA    H657 2187  -3.533   1.128  -2.552
    3PA    H658 2188  -3.465   1.062  -2.701
    3PA   Ca659 2189  -3.605   1.229  -2.728
    3PA    O660 2190  -3.724   1.214  -2.701
    3PA    N661 2191  -3.578   1.261  -2.855
    3PA   Hn662 2192  -3.495   1.317  -2.836
    3PA   Ch663 2193  -3.589   1.194  -2.983
    3PA    H664 2194  -3.497   1.135  -2.978
    3PA    H665 2195  -3.674   1.126  -2.981
    3PA   Ch666 2196  -3.609   1.286  -3.102
    3PA    H667 2197  -3.522   1.351  -3.107
    3PA    H668 2198  -3.690   1.351  -3.069
    3PA   Ch669 2199  -3.657   1.230  -3.234
    3PA    H670 2200  -3.598   1.139  -3.244
    3PA    H671 2201  -3.762   1.203  -3.218
    3PA   Ch672 2202  -3.636   1.330  -3.347
    3PA    H673 2203  -3.544   1.389  -3.339
    3PA    H674 2204  -3.697   1.420  -3.345
    3PA   Ch675 2205  -3.629   1.263  -3.484
    3PA    H676 2206  -3.578   1.337  -3.546
    3PA    H677 2207  -3.556   1.184  -3.467
    3PA   Ch678 2208  -3.760   1.196  -3.523
    3PA    H679 2209  -3.838   1.263  -3.560
    3PA    H680 2210  -3.802   1.155  -3.431
    3PA    N681 2211  -3.734   1.078  -3.603
    3PA   Hn682 2212  -3.642   1.037  -3.607
    3PA   Ca683 2213  -3.822   1.003  -3.670
    3PA    O684 2214  -3.897   0.929  -3.606
    3PA   Ch685 2215  -3.827   1.034  -3.819
    3PA    H686 2216  -3.932   1.025  -3.849
    3PA    H687 2217  -3.788   1.134  -3.838
    3PA   Ch688 2218  -3.767   0.923  -3.904
    3PA    H689 2219  -3.819   0.830  -3.878
    3PA    H690 2220  -3.661   0.906  -3.884
    3PA   Ch691 2221  -3.803   0.952  -4.049
    3PA    H692 2222  -3.908   0.975  -4.069
    3PA    H693 2223  -3.769   1.054  -4.066
    3PA   Ch694 2224  -3.729   0.879  -4.160
    3PA    H695 2225  -3.631   0.862  -4.116
    3PA    H696 2226  -3.736   0.939  -4.251
    3PA   Ca697 2227  -3.762   0.739  -4.209
    3PA    O698 2228  -3.797   0.649  -4.133
    3PA    N699 2229  -3.794   0.714  -4.337
    3PA   Hn700 2230  -3.728   0.770  -4.389
    3PA   Ch701 2231  -3.920   0.691  -4.404
    3PA    H702 2232  -3.997   0.749  -4.354
    3PA    H703 2233  -3.923   0.717  -4.510
    3PA   Ch704 2234  -3.948   0.541  -4.403
    3PA    H705 2235  -4.053   0.520  -4.426
    3PA    H706 2236  -3.928   0.483  -4.312
    3PA   Ch707 2237  -3.885   0.476  -4.526
    3PA    H708 2238  -3.949   0.521  -4.602
    3PA    H709 2239  -3.797   0.540  -4.532
    3PA   Ch710 2240  -3.845   0.329  -4.512
    3PA    H711 2241  -3.769   0.325  -4.435
    3PA    H712 2242  -3.790   0.324  -4.606
    3PA   Ch713 2243  -3.956   0.225  -4.507
    3PA    H714 2244  -4.010   0.261  -4.419
    3PA    H715 2245  -4.022   0.269  -4.583
    3PA   Ch716 2246  -3.904   0.084  -4.528
    3PA    H717 2247  -3.869   0.058  -4.428
    3PA    H718 2248  -3.813   0.068  -4.585
    3PA    N719 2249  -4.006  -0.015  -4.558
    3PA   Hn720 2250  -4.002  -0.063  -4.646
    3PA   Ca721 2251  -4.056  -0.125  -4.503
    3PA    O722 2252  -4.134  -0.105  -4.410
    3PA   Ch723 2253  -4.005  -0.262  -4.545
    3PA    H724 2254  -4.102  -0.313  -4.544
    3PA    H725 2255  -3.971  -0.268  -4.649
    3PA   Ch726 2256  -3.895  -0.337  -4.472
    3PA    H727 2257  -3.803  -0.280  -4.461
    3PA    H728 2258  -3.887  -0.431  -4.527
    3PA   Ch729 2259  -3.950  -0.401  -4.345
    3PA    H730 2260  -4.040  -0.354  -4.306
    3PA    H731 2261  -3.972  -0.504  -4.373
    3PA   Ch732 2262  -3.851  -0.415  -4.229
    3PA    H733 2263  -3.756  -0.424  -4.281
    3PA    H734 2264  -3.835  -0.512  -4.184
    3PA   Ca735 2265  -3.836  -0.296  -4.135
    3PA    O736 2266  -3.906  -0.287  -4.035
    3PA    N737 2267  -3.730  -0.217  -4.155
    3PA   Hn738 2268  -3.643  -0.266  -4.173
    3PA   Ch739 2269  -3.723  -0.079  -4.198
    3PA    H740 2270  -3.695  -0.073  -4.303
    3PA    H741 2271  -3.814  -0.022  -4.179
    3PA   Ch742 2272  -3.609   0.003  -4.139
    3PA    H743 2273  -3.513  -0.025  -4.182
    3PA    H744 2274  -3.618  -0.018  -4.032
    3PA   Ch745 2275  -3.636   0.152  -4.148
    3PA    H746 2276  -3.690   0.179  -4.239
    3PA    H747 2277  -3.713   0.192  -4.082
    3PA   Ch748 2278  -3.514   0.237  -4.115
    3PA    H749 2279  -3.444   0.228  -4.198
    3PA    H750 2280  -3.476   0.216  -4.015
    3PA   Ch751 2281  -3.550   0.385  -4.106
    3PA    H752 2282  -3.633   0.424  -4.164
    3PA    H753 2283  -3.586   0.396  -4.003
    3PA   Ch754 2284  -3.424   0.469  -4.098
    3PA    H755 2285  -3.378   0.433  -4.190
    3PA    H756 2286  -3.365   0.444  -4.009
    3PA    N757 2287  -3.437   0.612  -4.080
    3PA   Hn758 2288  -3.533   0.638  -4.095
    3PA   Ca759 2289  -3.343   0.699  -4.121
    3PA    O760 2290  -3.224   0.696  -4.091
    3PA   Ch761 2291  -3.375   0.792  -4.236
    3PA    H762 2292  -3.450   0.736  -4.293
    3PA    H763 2293  -3.410   0.890  -4.204
    3PA    H764 2294  -5.300   4.228  -8.662
    3PA    H765 2295  -3.290   0.807  -4.302
    4PA     Ch1 2296   6.255 -10.312   3.590
    4PA      H2 2297   6.316 -10.270   3.510
    4PA      H3 2298   6.242 -10.231   3.661
    4PA     Ch4 2299   6.311 -10.425   3.676
    4PA      H5 2300   6.338 -10.371   3.767
    4PA      H6 2301   6.409 -10.459   3.644
    4PA     Ch7 2302   6.221 -10.547   3.695
    4PA      H8 2303   6.161 -10.508   3.777
    4PA      H9 2304   6.160 -10.540   3.605
    4PA    Ch10 2305   6.276 -10.680   3.745
    4PA     H11 2306   6.326 -10.727   3.661
    4PA     H12 2307   6.185 -10.739   3.755
    4PA    Ca13 2308   6.346 -10.708   3.877
    4PA     O14 2309   6.370 -10.624   3.964
    4PA     N15 2310   6.437 -10.802   3.854
    4PA    Hn16 2311   6.405 -10.883   3.905
    4PA    Ch17 2312   6.577 -10.803   3.815
    4PA     H18 2313   6.590 -10.781   3.709
    4PA     H19 2314   6.629 -10.736   3.884
    4PA    Ch20 2315   6.633 -10.943   3.836
    4PA     H21 2316   6.613 -10.989   3.934
    4PA     H22 2317   6.740 -10.923   3.840
    4PA    Ch23 2318   6.595 -11.047   3.731
    4PA     H24 2319   6.520 -11.008   3.662
    4PA     H25 2320   6.680 -11.033   3.664
    4PA    Ch26 2321   6.576 -11.191   3.776
    4PA     H27 2322   6.566 -11.199   3.885
    4PA     H28 2323   6.672 -11.241   3.764
    4PA    Ch29 2324   6.481 -11.291   3.711
    4PA     H30 2325   6.427 -11.365   3.770
    4PA     H31 2326   6.394 -11.227   3.695
    4PA    Ch32 2327   6.537 -11.358   3.586
    4PA     H33 2328   6.617 -11.432   3.594
    4PA     H34 2329   6.591 -11.279   3.532
    4PA     N35 2330   6.424 -11.402   3.508
    4PA    Hn36 2331   6.364 -11.460   3.565
    4PA    Ca37 2332   6.355 -11.319   3.429
    4PA     O38 2333   6.345 -11.346   3.309
    4PA    Ch39 2334   6.228 -11.261   3.488
    4PA     H40 2335   6.149 -11.285   3.417
    4PA     H41 2336   6.209 -11.306   3.586
    4PA    Ch42 2337   6.228 -11.110   3.512
    4PA     H43 2338   6.332 -11.076   3.515
    4PA     H44 2339   6.174 -11.093   3.605
    4PA    Ch45 2340   6.149 -11.038   3.404
    4PA     H46 2341   6.204 -11.043   3.310
    4PA     H47 2342   6.046 -11.063   3.379
    4PA    Ch48 2343   6.151 -10.890   3.437
    4PA     H49 2344   6.254 -10.857   3.418
    4PA     H50 2345   6.117 -10.883   3.541
    4PA    Ca51 2346   6.066 -10.784   3.370
    4PA     O52 2347   5.958 -10.764   3.426
    4PA     N53 2348   6.135 -10.699   3.294
    4PA    Hn54 2349   6.182 -10.751   3.221
    4PA    Ch55 2350   6.187 -10.566   3.323
    4PA     H56 2351   6.145 -10.520   3.412
    4PA     H57 2352   6.294 -10.572   3.304
    4PA    Ch58 2353   6.153 -10.463   3.217
    4PA     H59 2354   6.046 -10.441   3.209
    4PA     H60 2355   6.170 -10.494   3.113
    4PA    Ch61 2356   6.233 -10.333   3.217
    4PA     H62 2357   6.154 -10.272   3.173
    4PA     H63 2358   6.226 -10.283   3.313
    4PA    Ch64 2359   6.363 -10.314   3.140
    4PA     H65 2360   6.337 -10.311   3.034
    4PA     H66 2361   6.426 -10.398   3.171
    4PA    Ch67 2362   6.460 -10.202   3.173
    4PA     H68 2363   6.416 -10.126   3.237
    4PA     H69 2364   6.527 -10.217   3.258
    4PA    Ch70 2365   6.542 -10.169   3.048
    4PA     H71 2366   6.467 -10.151   2.972
    4PA     H72 2367   6.599 -10.262   3.044
    4PA     N73 2368   6.614 -10.045   3.067
    4PA    Hn74 2369   6.667 -10.022   3.150
    4PA    Ca75 2370   6.669  -9.963   2.977
    4PA     O76 2371   6.604  -9.890   2.903
    4PA    Ch77 2372   6.820  -9.974   2.958
    4PA     H78 2373   6.866 -10.055   3.014
    4PA     H79 2374   6.843 -10.019   2.861
    4PA    Ch80 2375   6.899  -9.845   2.980
    4PA     H81 2376   6.944  -9.863   3.077
    4PA     H82 2377   6.833  -9.763   3.007
    4PA    Ch83 2378   7.016  -9.811   2.889
    4PA     H84 2379   7.054  -9.719   2.933
    4PA     H85 2380   7.091  -9.884   2.920
    4PA    Ch86 2381   6.991  -9.798   2.740
    4PA     H87 2382   7.009  -9.698   2.703
    4PA     H88 2383   6.888  -9.819   2.710
    4PA    Ca89 2384   7.057  -9.903   2.652
    4PA     O90 2385   7.012  -9.922   2.539
    4PA     N91 2386   7.141  -9.997   2.696
    4PA    Hn92 2387   7.193  -9.932   2.755
    4PA    Ch93 2388   7.117 -10.135   2.732
    4PA     H94 2389   7.095 -10.115   2.836
    4PA     H95 2390   7.036 -10.185   2.679
    4PA    Ch96 2391   7.248 -10.210   2.756
    4PA     H97 2392   7.292 -10.159   2.841
    4PA     H98 2393   7.310 -10.205   2.666
    4PA    Ch99 2394   7.229 -10.358   2.786
    4PA    H100 2395   7.317 -10.383   2.845
    4PA    H101 2396   7.150 -10.388   2.855
    4PA   Ch102 2397   7.214 -10.438   2.657
    4PA    H103 2398   7.300 -10.427   2.591
    4PA    H104 2399   7.117 -10.426   2.610
    4PA   Ch105 2400   7.243 -10.587   2.673
    4PA    H106 2401   7.337 -10.596   2.729
    4PA    H107 2402   7.161 -10.629   2.732
    4PA   Ch108 2403   7.243 -10.687   2.559
    4PA    H109 2404   7.187 -10.647   2.475
    4PA    H110 2405   7.174 -10.766   2.588
    4PA    N111 2406   7.377 -10.721   2.516
    4PA   Hn112 2407   7.399 -10.811   2.557
    4PA   Ca113 2408   7.413 -10.729   2.388
    4PA    O114 2409   7.481 -10.632   2.352
    4PA   Ch115 2410   7.416 -10.868   2.326
    4PA    H116 2411   7.518 -10.868   2.286
    4PA    H117 2412   7.404 -10.935   2.411
    4PA   Ch118 2413   7.325 -10.910   2.211
    4PA    H119 2414   7.362 -11.008   2.182
    4PA    H120 2415   7.337 -10.836   2.131
    4PA   Ch121 2416   7.183 -10.959   2.235
    4PA    H122 2417   7.153 -11.022   2.150
    4PA    H123 2418   7.179 -11.015   2.328
    4PA   Ch124 2419   7.091 -10.838   2.239
    4PA    H125 2420   7.040 -10.839   2.142
    4PA    H126 2421   7.150 -10.746   2.234
    4PA   Ca127 2422   6.975 -10.806   2.333
    4PA    O128 2423   6.983 -10.719   2.419
    4PA    N129 2424   6.852 -10.829   2.287
    4PA   Hn130 2425   6.815 -10.737   2.309
    4PA   Ch131 2426   6.782 -10.954   2.309
    4PA    H132 2427   6.859 -11.031   2.322
    4PA    H133 2428   6.726 -10.965   2.402
    4PA   Ch134 2429   6.695 -10.983   2.188
    4PA    H135 2430   6.624 -10.910   2.149
    4PA    H136 2431   6.619 -11.061   2.202
    4PA   Ch137 2432   6.766 -11.058   2.076
    4PA    H138 2433   6.854 -11.018   2.026
    4PA    H139 2434   6.807 -11.157   2.095
    4PA   Ch140 2435   6.690 -11.070   1.945
    4PA    H141 2436   6.687 -10.983   1.879
    4PA    H142 2437   6.591 -11.102   1.978
    4PA   Ch143 2438   6.738 -11.175   1.845
    4PA    H144 2439   6.826 -11.132   1.798
    4PA    H145 2440   6.762 -11.268   1.898
    4PA   Ch146 2441   6.661 -11.164   1.714
    4PA    H147 2442   6.671 -11.076   1.650
    4PA    H148 2443   6.554 -11.164   1.738
    4PA    N149 2444   6.713 -11.273   1.634
    4PA   Hn150 2445   6.767 -11.243   1.553
    4PA   Ca151 2446   6.650 -11.380   1.584
    4PA    O152 2447   6.604 -11.473   1.650
    4PA   Ch153 2448   6.604 -11.359   1.440
    4PA    H154 2449   6.499 -11.388   1.435
    4PA    H155 2450   6.599 -11.251   1.424
    4PA   Ch156 2451   6.700 -11.432   1.346
    4PA    H157 2452   6.734 -11.525   1.391
    4PA    H158 2453   6.777 -11.365   1.307
    4PA   Ch159 2454   6.634 -11.478   1.217
    4PA    H160 2455   6.542 -11.535   1.228
    4PA    H161 2456   6.601 -11.397   1.152
    4PA   Ch162 2457   6.735 -11.562   1.140
    4PA    H163 2458   6.766 -11.658   1.181
    4PA    H164 2459   6.822 -11.496   1.130
    4PA   Ca165 2460   6.712 -11.590   0.992
    4PA    O166 2461   6.719 -11.493   0.917
    4PA    N167 2462   6.714 -11.715   0.946
    4PA   Hn168 2463   6.790 -11.768   0.987
    4PA   Ch169 2464   6.603 -11.779   0.879
    4PA    H170 2465   6.512 -11.789   0.939
    4PA    H171 2466   6.577 -11.709   0.800
    4PA   Ch172 2467   6.643 -11.914   0.822
    4PA    H173 2468   6.740 -11.946   0.860
    4PA    H174 2469   6.657 -11.905   0.714
    4PA   Ch175 2470   6.539 -12.024   0.843
    4PA    H176 2471   6.514 -12.003   0.947
    4PA    H177 2472   6.455 -12.014   0.774
    4PA   Ch178 2473   6.606 -12.156   0.809
    4PA    H179 2474   6.684 -12.199   0.871
    4PA    H180 2475   6.639 -12.140   0.706
    4PA   Ch181 2476   6.492 -12.257   0.813
    4PA    H182 2477   6.452 -12.250   0.914
    4PA    H183 2478   6.404 -12.242   0.749
    4PA   Ch184 2479   6.552 -12.392   0.777
    4PA    H185 2480   6.644 -12.376   0.720
    4PA    H186 2481   6.485 -12.431   0.701
    4PA    N187 2482   6.566 -12.464   0.902
    4PA   Hn188 2483   6.490 -12.521   0.938
    4PA   Ca189 2484   6.650 -12.443   1.004
    4PA    O190 2485   6.723 -12.539   1.026
    4PA   Ch191 2486   6.625 -12.344   1.117
    4PA    H192 2487   6.724 -12.304   1.139
    4PA    H193 2488   6.574 -12.261   1.069
    4PA   Ch194 2489   6.563 -12.397   1.245
    4PA    H195 2490   6.646 -12.449   1.294
    4PA    H196 2491   6.494 -12.479   1.225
    4PA   Ch197 2492   6.495 -12.281   1.318
    4PA    H198 2493   6.564 -12.221   1.377
    4PA    H199 2494   6.441 -12.209   1.257
    4PA   Ch200 2495   6.411 -12.338   1.431
    4PA    H201 2496   6.326 -12.388   1.384
    4PA    H202 2497   6.358 -12.254   1.477
    4PA   Ca203 2498   6.460 -12.437   1.535
    4PA    O204 2499   6.468 -12.560   1.524
    4PA    N205 2500   6.522 -12.381   1.639
    4PA   Hn206 2501   6.475 -12.293   1.628
    4PA   Ch207 2502   6.666 -12.365   1.649
    4PA    H208 2503   6.730 -12.448   1.680
    4PA    H209 2504   6.698 -12.323   1.554
    4PA   Ch210 2505   6.718 -12.250   1.734
    4PA    H211 2506   6.695 -12.292   1.832
    4PA    H212 2507   6.647 -12.170   1.715
    4PA   Ch213 2508   6.861 -12.200   1.721
    4PA    H214 2509   6.936 -12.279   1.711
    4PA    H215 2510   6.882 -12.145   1.629
    4PA   Ch216 2511   6.899 -12.126   1.848
    4PA    H217 2512   6.881 -12.179   1.942
    4PA    H218 2513   6.813 -12.062   1.867
    4PA   Ch219 2514   7.033 -12.056   1.867
    4PA    H220 2515   7.097 -12.125   1.811
    4PA    H221 2516   7.013 -11.978   1.795
    4PA   Ch222 2517   7.069 -12.004   2.006
    4PA    H223 2518   7.058 -12.077   2.086
    4PA    H224 2519   7.015 -11.915   2.040
    4PA    N225 2520   7.209 -11.970   2.000
    4PA   Hn226 2521   7.235 -11.872   2.004
    4PA   Ca227 2522   7.315 -12.014   2.069
    4PA    O228 2523   7.369 -12.117   2.030
    4PA   Ch229 2524   7.359 -11.946   2.197
    4PA    H230 2525   7.342 -12.014   2.280
    4PA    H231 2526   7.464 -11.938   2.171
    4PA   Ch232 2527   7.304 -11.813   2.250
    4PA    H233 2528   7.349 -11.723   2.208
    4PA    H234 2529   7.363 -11.803   2.341
    4PA   Ch235 2530   7.157 -11.791   2.280
    4PA    H236 2531   7.137 -11.686   2.300
    4PA    H237 2532   7.100 -11.847   2.206
    4PA   Ch238 2533   7.111 -11.845   2.415
    4PA    H239 2534   7.011 -11.825   2.453
    4PA    H240 2535   7.172 -11.793   2.488
    4PA   Ca241 2536   7.125 -11.993   2.447
    4PA    O242 2537   7.086 -12.072   2.361
    4PA    N243 2538   7.162 -12.043   2.565
    4PA   Hn244 2539   7.221 -11.968   2.599
    4PA   Ch245 2540   7.096 -12.124   2.666
    4PA    H246 2541   7.010 -12.061   2.691
    4PA    H247 2542   7.047 -12.213   2.626
    4PA   Ch248 2543   7.188 -12.122   2.786
    4PA    H249 2544   7.294 -12.117   2.757
    4PA    H250 2545   7.157 -12.216   2.833
    4PA   Ch251 2546   7.154 -12.011   2.885
    4PA    H252 2547   7.186 -11.911   2.857
    4PA    H253 2548   7.046 -12.005   2.889
    4PA   Ch254 2549   7.216 -12.033   3.023
    4PA    H255 2550   7.316 -12.075   3.014
    4PA    H256 2551   7.146 -12.113   3.049
    4PA   Ch257 2552   7.207 -11.913   3.116
    4PA    H258 2553   7.295 -11.849   3.114
    4PA    H259 2554   7.133 -11.839   3.088
    4PA   Ch260 2555   7.200 -11.930   3.267
    4PA    H261 2556   7.255 -12.022   3.281
    4PA    H262 2557   7.094 -11.939   3.291
    4PA    N263 2558   7.262 -11.826   3.347
    4PA   Hn264 2559   7.217 -11.736   3.337
    4PA   Ca265 2560   7.336 -11.834   3.458
    4PA    O266 2561   7.452 -11.874   3.474
    4PA   Ch267 2562   7.243 -11.842   3.578
    4PA    H268 2563   7.147 -11.882   3.546
    4PA    H269 2564   7.301 -11.893   3.655
    4PA   Ch270 2565   7.227 -11.722   3.670
    4PA    H271 2566   7.128 -11.691   3.636
    4PA    H272 2567   7.299 -11.644   3.644
    4PA   Ch273 2568   7.190 -11.734   3.817
    4PA    H274 2569   7.273 -11.739   3.887
    4PA    H275 2570   7.136 -11.646   3.851
    4PA   Ch276 2571   7.080 -11.832   3.856
    4PA    H277 2572   7.091 -11.922   3.796
    4PA    H278 2573   6.982 -11.791   3.833
    4PA   Ca279 2574   7.067 -11.857   4.006
    4PA    O280 2575   6.985 -11.785   4.063
    4PA    N281 2576   7.133 -11.941   4.085
    4PA   Hn282 2577   7.148 -12.030   4.039
    4PA   Ch283 2578   7.256 -11.881   4.132
    4PA    H284 2579   7.329 -11.870   4.051
    4PA    H285 2580   7.231 -11.788   4.184
    4PA   Ch286 2581   7.335 -11.974   4.223
    4PA    H287 2582   7.378 -12.066   4.184
    4PA    H288 2583   7.265 -12.007   4.299
    4PA   Ch289 2584   7.458 -11.908   4.283
    4PA    H290 2585   7.523 -11.847   4.218
    4PA    H291 2586   7.435 -11.842   4.367
    4PA   Ch292 2587   7.555 -12.009   4.342
    4PA    H293 2588   7.539 -12.115   4.320
    4PA    H294 2589   7.541 -12.004   4.450
    4PA   Ch295 2590   7.701 -11.972   4.316
    4PA    H296 2591   7.699 -12.020   4.218
    4PA    H297 2592   7.718 -11.865   4.331
    4PA   Ch298 2593   7.805 -12.038   4.406
    4PA    H299 2594   7.770 -12.136   4.440
    4PA    H300 2595   7.802 -11.970   4.491
    4PA    N301 2596   7.938 -12.042   4.349
    4PA   Hn302 2597   7.927 -12.085   4.258
    4PA   Ca303 2598   8.056 -12.061   4.408
    4PA    O304 2599   8.119 -11.962   4.443
    4PA   Ch305 2600   8.134 -12.188   4.376
    4PA    H306 2601   8.086 -12.279   4.411
    4PA    H307 2602   8.106 -12.221   4.276
    4PA   Ch308 2603   8.285 -12.198   4.393
    4PA    H309 2604   8.337 -12.104   4.373
    4PA    H310 2605   8.329 -12.277   4.334
    4PA   Ch311 2606   8.310 -12.257   4.531
    4PA    H312 2607   8.299 -12.170   4.597
    4PA    H313 2608   8.238 -12.331   4.567
    4PA   Ch314 2609   8.455 -12.302   4.539
    4PA    H315 2610   8.528 -12.226   4.512
    4PA    H316 2611   8.472 -12.380   4.464
    4PA   Ca317 2612   8.522 -12.350   4.666
    4PA    O318 2613   8.564 -12.257   4.735
    4PA    N319 2614   8.488 -12.473   4.704
    4PA   Hn320 2615   8.478 -12.543   4.632
    4PA   Ch321 2616   8.394 -12.512   4.807
    4PA    H322 2617   8.435 -12.496   4.907
    4PA    H323 2618   8.314 -12.437   4.803
    4PA   Ch324 2619   8.365 -12.661   4.793
    4PA    H325 2620   8.457 -12.709   4.827
    4PA    H326 2621   8.360 -12.674   4.685
    4PA   Ch327 2622   8.239 -12.715   4.859
    4PA    H328 2623   8.279 -12.784   4.933
    4PA    H329 2624   8.191 -12.636   4.917
    4PA   Ch330 2625   8.133 -12.779   4.771
    4PA    H331 2626   8.148 -12.780   4.663
    4PA    H332 2627   8.066 -12.695   4.750
    4PA   Ch333 2628   8.041 -12.884   4.832
    4PA    H334 2629   8.026 -12.849   4.935
    4PA    H335 2630   7.945 -12.889   4.782
    4PA   Ch336 2631   8.093 -13.026   4.812
    4PA    H337 2632   8.186 -13.058   4.859
    4PA    H338 2633   8.107 -13.038   4.704
    4PA    N339 2634   8.011 -13.132   4.866
    4PA   Hn340 2635   7.991 -13.113   4.964
    4PA   Ca341 2636   8.008 -13.262   4.836
    4PA    O342 2637   7.992 -13.297   4.720
    4PA   Ch343 2638   8.079 -13.354   4.935
    4PA    H344 2639   8.069 -13.457   4.899
    4PA    H345 2640   8.185 -13.334   4.946
    4PA   Ch346 2641   8.038 -13.358   5.081
    4PA    H347 2642   7.946 -13.302   5.099
    4PA    H348 2643   8.104 -13.303   5.149
    4PA   Ch349 2644   8.038 -13.492   5.154
    4PA    H350 2645   8.105 -13.561   5.103
    4PA    H351 2646   8.059 -13.477   5.260
    4PA   Ch352 2647   7.909 -13.572   5.142
    4PA    H353 2648   7.931 -13.679   5.127
    4PA    H354 2649   7.856 -13.554   5.048
    4PA   Ca355 2650   7.793 -13.547   5.237
    4PA    O356 2651   7.752 -13.436   5.269
    4PA    N357 2652   7.724 -13.656   5.271
    4PA   Hn358 2653   7.741 -13.714   5.191
    4PA   Ch359 2654   7.716 -13.715   5.404
    4PA    H360 2655   7.784 -13.695   5.487
    4PA    H361 2656   7.619 -13.676   5.436
    4PA   Ch362 2657   7.689 -13.864   5.420
    4PA    H363 2658   7.784 -13.907   5.388
    4PA    H364 2659   7.618 -13.892   5.342
    4PA   Ch365 2660   7.649 -13.908   5.561
    4PA    H366 2661   7.749 -13.921   5.602
    4PA    H367 2662   7.597 -13.830   5.616
    4PA   Ch368 2663   7.580 -14.041   5.585
    4PA    H369 2664   7.593 -14.053   5.693
    4PA    H370 2665   7.645 -14.113   5.535
    4PA   Ch371 2666   7.433 -14.038   5.543
    4PA    H372 2667   7.380 -14.017   5.636
    4PA    H373 2668   7.404 -13.967   5.466
    4PA   Ch374 2669   7.388 -14.177   5.500
    4PA    H375 2670   7.407 -14.253   5.576
    4PA    H376 2671   7.442 -14.193   5.407
    4PA    N377 2672   7.253 -14.166   5.448
    4PA   Hn378 2673   7.191 -14.108   5.502
    4PA   Ca379 2674   7.184 -14.251   5.371
    4PA    O380 2675   7.194 -14.248   5.249
    4PA   Ch381 2676   7.097 -14.360   5.432
    4PA    H382 2677   7.024 -14.393   5.358
    4PA    H383 2678   7.164 -14.443   5.454
    4PA   Ch384 2679   6.997 -14.324   5.542
    4PA    H385 2680   6.915 -14.278   5.487
    4PA    H386 2681   7.046 -14.250   5.605
    4PA   Ch387 2682   6.938 -14.432   5.631
    4PA    H388 2683   6.917 -14.517   5.564
    4PA    H389 2684   7.020 -14.472   5.690
    4PA   Ch390 2685   6.811 -14.395   5.707
    4PA    H391 2686   6.727 -14.392   5.639
    4PA    H392 2687   6.833 -14.293   5.738
    4PA   Ca393 2688   6.770 -14.472   5.832
    4PA    O394 2689   6.831 -14.451   5.936
    4PA    N395 2690   6.715 -14.591   5.803
    4PA   Hn396 2691   6.637 -14.563   5.746
    4PA   Ch397 2692   6.764 -14.726   5.789
    4PA    H398 2693   6.778 -14.738   5.682
    4PA    H399 2694   6.853 -14.753   5.847
    4PA   Ch400 2695   6.657 -14.828   5.824
    4PA    H401 2696   6.557 -14.809   5.785
    4PA    H402 2697   6.662 -14.850   5.931
    4PA   Ch403 2698   6.666 -14.963   5.753
    4PA    H404 2699   6.659 -14.958   5.644
    4PA    H405 2700   6.766 -15.006   5.765
    4PA   Ch406 2701   6.574 -15.072   5.805
    4PA    H407 2702   6.474 -15.036   5.778
    4PA    H408 2703   6.578 -15.063   5.913
    4PA   Ch409 2704   6.603 -15.217   5.770
    4PA    H410 2705   6.633 -15.213   5.665
    4PA    H411 2706   6.674 -15.263   5.840
    4PA   Ch412 2707   6.490 -15.319   5.770
    4PA    H413 2708   6.450 -15.295   5.671
    4PA    H414 2709   6.416 -15.298   5.847
    4PA    N415 2710   6.518 -15.459   5.793
    4PA   Hn416 2711   6.617 -15.474   5.806
    4PA   Ca417 2712   6.452 -15.564   5.743
    4PA    O418 2713   6.339 -15.592   5.782
    4PA   Ch419 2714   6.514 -15.656   5.639
    4PA    H420 2715   6.574 -15.732   5.689
    4PA    H421 2716   6.428 -15.710   5.599
    4PA   Ch422 2717   6.587 -15.603   5.516
    4PA    H423 2718   6.593 -15.497   5.540
    4PA    H424 2719   6.533 -15.612   5.421
    4PA   Ch425 2720   6.722 -15.652   5.465
    4PA    H426 2721   6.759 -15.577   5.394
    4PA    H427 2722   6.788 -15.655   5.551
    4PA   Ch428 2723   6.720 -15.782   5.387
    4PA    H429 2724   6.682 -15.760   5.287
    4PA    H430 2725   6.648 -15.845   5.438
    4PA   Ca431 2726   6.841 -15.875   5.381
    4PA    O432 2727   6.891 -15.910   5.274
    4PA    N433 2728   6.903 -15.913   5.493
    4PA   Hn434 2729   6.842 -15.950   5.564
    4PA   Ch435 2730   7.010 -15.836   5.554
    4PA    H436 2731   7.088 -15.874   5.487
    4PA    H437 2732   7.000 -15.730   5.528
    4PA   Ch438 2733   7.042 -15.883   5.695
    4PA    H439 2734   7.016 -15.989   5.701
    4PA    H440 2735   6.973 -15.832   5.763
    4PA   Ch441 2736   7.190 -15.872   5.732
    4PA    H442 2737   7.250 -15.957   5.701
    4PA    H443 2738   7.236 -15.783   5.690
    4PA   Ch444 2739   7.218 -15.835   5.877
    4PA    H445 2740   7.190 -15.938   5.902
    4PA    H446 2741   7.170 -15.752   5.930
    4PA   Ch447 2742   7.360 -15.797   5.916
    4PA    H448 2743   7.371 -15.723   5.836
    4PA    H449 2744   7.368 -15.734   6.005
    4PA   Ch450 2745   7.482 -15.886   5.899
    4PA    H451 2746   7.563 -15.814   5.885
    4PA    H452 2747   7.454 -15.944   5.811
    4PA    N453 2748   7.505 -15.967   6.017
    4PA   Hn454 2749   7.453 -15.945   6.101
    4PA   Ca455 2750   7.534 -16.097   6.022
    4PA    O456 2751   7.622 -16.156   5.959
    4PA   Ch457 2752   7.416 -16.183   6.069
    4PA    H458 2753   7.464 -16.272   6.110
    4PA    H459 2754   7.368 -16.150   6.161
    4PA   Ch460 2755   7.320 -16.235   5.963
    4PA    H461 2756   7.371 -16.261   5.871
    4PA    H462 2757   7.269 -16.140   5.948
    4PA   Ch463 2758   7.208 -16.329   6.003
    4PA    H464 2759   7.248 -16.405   6.070
    4PA    H465 2760   7.161 -16.280   6.089
    4PA   Ch466 2761   7.105 -16.349   5.892
    4PA    H467 2762   7.093 -16.262   5.828
    4PA    H468 2763   7.001 -16.342   5.923
    4PA   Ca469 2764   7.126 -16.470   5.802
    4PA    O470 2765   7.184 -16.464   5.694
    4PA    N471 2766   7.079 -16.582   5.856
    4PA   Hn472 2767   6.991 -16.538   5.880
    4PA   Ch473 2768   7.139 -16.667   5.957
    4PA    H474 2769   7.201 -16.747   5.916
    4PA    H475 2770   7.208 -16.622   6.028
    4PA   Ch476 2771   7.032 -16.731   6.043
    4PA    H477 2772   7.068 -16.799   6.121
    4PA    H478 2773   6.986 -16.796   5.969
    4PA   Ch479 2774   6.955 -16.635   6.133
    4PA    H480 2775   7.029 -16.587   6.197
    4PA    H481 2776   6.903 -16.559   6.074
    4PA   Ch482 2777   6.845 -16.691   6.223
    4PA    H483 2778   6.860 -16.785   6.274
    4PA    H484 2779   6.763 -16.708   6.153
    4PA   Ch485 2780   6.778 -16.602   6.327
    4PA    H486 2781   6.862 -16.579   6.394
    4PA    H487 2782   6.741 -16.511   6.280
    4PA   Ch488 2783   6.659 -16.665   6.398
    4PA    H489 2784   6.676 -16.760   6.449
    4PA    H490 2785   6.573 -16.661   6.331
    4PA    N491 2786   6.592 -16.583   6.497
    4PA   Hn492 2787   6.557 -16.488   6.496
    4PA   Ca493 2788   6.609 -16.580   6.629
    4PA    O494 2789   6.567 -16.668   6.703
    4PA   Ch495 2790   6.703 -16.472   6.680
    4PA    H496 2791   6.775 -16.524   6.743
    4PA    H497 2792   6.747 -16.438   6.586
    4PA   Ch498 2793   6.647 -16.337   6.724
    4PA    H499 2794   6.724 -16.306   6.795
    4PA    H500 2795   6.560 -16.361   6.784
    4PA   Ch501 2796   6.602 -16.236   6.619
    4PA    H502 2797   6.503 -16.257   6.579
    4PA    H503 2798   6.614 -16.138   6.667
    4PA   Ch504 2799   6.701 -16.213   6.505
    4PA    H505 2800   6.683 -16.304   6.448
    4PA    H506 2801   6.800 -16.212   6.550
    4PA   Ca507 2802   6.671 -16.109   6.398
    4PA    O508 2803   6.573 -16.088   6.327
    4PA    N509 2804   6.775 -16.029   6.373
    4PA   Hn510 2805   6.772 -15.957   6.445
    4PA   Ch511 2806   6.873 -16.055   6.270
    4PA    H512 2807   6.934 -16.136   6.310
    4PA    H513 2808   6.838 -16.108   6.181
    4PA   Ch514 2809   6.957 -15.935   6.229
    4PA    H515 2810   6.908 -15.840   6.251
    4PA    H516 2811   6.939 -15.933   6.122
    4PA   Ch517 2812   7.106 -15.934   6.259
    4PA    H518 2813   7.097 -15.956   6.365
    4PA    H519 2814   7.153 -16.015   6.204
    4PA   Ch520 2815   7.183 -15.804   6.241
    4PA    H521 2816   7.122 -15.731   6.187
    4PA    H522 2817   7.274 -15.837   6.190
    4PA   Ch523 2818   7.229 -15.752   6.377
    4PA    H524 2819   7.140 -15.758   6.439
    4PA    H525 2820   7.301 -15.832   6.396
    4PA   Ch526 2821   7.309 -15.623   6.364
    4PA    H527 2822   7.234 -15.552   6.330
    4PA    H528 2823   7.380 -15.624   6.281
    4PA    N529 2824   7.391 -15.587   6.478
    4PA   Hn530 2825   7.422 -15.491   6.479
    4PA   Ca531 2826   7.498 -15.644   6.533
    4PA    O532 2827   7.489 -15.754   6.586
    4PA   Ch533 2828   7.635 -15.594   6.490
    4PA    H534 2829   7.658 -15.637   6.392
    4PA    H535 2830   7.620 -15.487   6.474
    4PA   Ch536 2831   7.755 -15.595   6.585
    4PA    H537 2832   7.706 -15.614   6.680
    4PA    H538 2833   7.792 -15.492   6.591
    4PA   Ch539 2834   7.866 -15.695   6.555
    4PA    H540 2835   7.825 -15.788   6.595
    4PA    H541 2836   7.865 -15.717   6.449
    4PA   Ch542 2837   8.004 -15.657   6.606
    4PA    H543 2838   7.995 -15.662   6.715
    4PA    H544 2839   8.045 -15.559   6.582
    4PA   Ca545 2840   8.110 -15.759   6.565
    4PA    O546 2841   8.187 -15.739   6.471
    4PA    N547 2842   8.135 -15.851   6.659
    4PA   Hn548 2843   8.071 -15.928   6.666
    4PA   Ch549 2844   8.256 -15.860   6.738
    4PA    H550 2845   8.288 -15.963   6.722
    4PA    H551 2846   8.335 -15.793   6.702
    4PA   Ch552 2847   8.240 -15.834   6.887
    4PA    H553 2848   8.137 -15.842   6.923
    4PA    H554 2849   8.275 -15.742   6.933
    4PA   Ch555 2850   8.328 -15.921   6.975
    4PA    H556 2851   8.323 -15.897   7.082
    4PA    H557 2852   8.296 -16.024   6.984
    4PA   Ch558 2853   8.476 -15.911   6.937
    4PA    H559 2854   8.501 -15.806   6.949
    4PA    H560 2855   8.506 -15.921   6.833
    4PA   Ch561 2856   8.572 -15.995   7.021
    4PA    H562 2857   8.546 -16.007   7.127
    4PA    H563 2858   8.588 -16.093   6.976
    4PA   Ch564 2859   8.714 -15.943   7.032
    4PA    H565 2860   8.713 -15.836   7.055
    4PA    H566 2861   8.763 -15.946   6.934
    4PA    N567 2862   8.799 -16.025   7.117
    4PA   Hn568 2863   8.769 -16.066   7.204
    4PA   Ca569 2864   8.917 -15.976   7.154
    4PA    O570 2865   9.017 -15.961   7.085
    4PA   Ch571 2866   8.926 -15.905   7.288
    4PA    H572 2867   8.956 -15.802   7.270
    4PA    H573 2868   8.821 -15.892   7.315
    4PA   Ch574 2869   8.998 -15.938   7.419
    4PA    H575 2870   8.971 -16.031   7.469
    4PA    H576 2871   8.949 -15.870   7.489
    4PA   Ch577 2872   9.148 -15.920   7.411
    4PA    H578 2873   9.195 -15.962   7.500
    4PA    H579 2874   9.154 -15.994   7.331
    4PA   Ch580 2875   9.205 -15.779   7.399
    4PA    H581 2876   9.195 -15.752   7.294
    4PA    H582 2877   9.312 -15.796   7.410
    4PA   Ca583 2878   9.156 -15.658   7.477
    4PA    O584 2879   9.036 -15.632   7.475
    4PA    N585 2880   9.241 -15.562   7.515
    4PA   Hn586 2881   9.287 -15.506   7.444
    4PA   Ch587 2882   9.279 -15.528   7.650
    4PA    H588 2883   9.287 -15.618   7.711
    4PA    H589 2884   9.386 -15.505   7.640
    4PA   Ch590 2885   9.202 -15.413   7.713
    4PA    H591 2886   9.165 -15.463   7.802
    4PA    H592 2887   9.134 -15.386   7.632
    4PA   Ch593 2888   9.280 -15.294   7.768
    4PA    H594 2889   9.285 -15.226   7.683
    4PA    H595 2890   9.204 -15.252   7.834
    4PA   Ch596 2891   9.409 -15.316   7.846
    4PA    H597 2892   9.494 -15.334   7.781
    4PA    H598 2893   9.394 -15.411   7.898
    4PA   Ch599 2894   9.447 -15.201   7.939
    4PA    H600 2895   9.472 -15.111   7.883
    4PA    H601 2896   9.362 -15.174   8.001
    4PA   Ch602 2897   9.566 -15.234   8.028
    4PA    H603 2898   9.638 -15.152   8.027
    4PA    H604 2899   9.621 -15.322   7.994
    4PA    N605 2900   9.508 -15.270   8.156
    4PA   Hn606 2901   9.408 -15.254   8.163
    4PA   Ca607 2902   9.576 -15.270   8.271
    4PA    O608 2903   9.622 -15.369   8.327
    4PA   Ch609 2904   9.588 -15.135   8.342
    4PA    H610 2905   9.554 -15.039   8.303
    4PA    H611 2906   9.504 -15.132   8.411
    4PA   Ch612 2907   9.710 -15.104   8.428
    4PA    H613 2908   9.785 -15.111   8.348
    4PA    H614 2909   9.715 -15.182   8.503
    4PA   Ch615 2910   9.720 -14.965   8.489
    4PA    H616 2911   9.627 -14.946   8.543
    4PA    H617 2912   9.799 -14.980   8.562
    4PA   Ch618 2913   9.732 -14.838   8.406
    4PA    H619 2914   9.661 -14.757   8.421
    4PA    H620 2915   9.690 -14.878   8.314
    4PA   Ca621 2916   9.867 -14.774   8.375
    4PA    O622 2917   9.868 -14.653   8.398
    4PA    N623 2918   9.979 -14.844   8.356
    4PA   Hn624 2919   9.942 -14.915   8.294
    4PA   Ch625 2920  10.099 -14.860   8.435
    4PA    H626 2921  10.192 -14.837   8.381
    4PA    H627 2922  10.108 -14.793   8.520
    4PA   Ch628 2923  10.122 -15.007   8.469
    4PA    H629 2924  10.175 -15.049   8.384
    4PA    H630 2925  10.032 -15.065   8.488
    4PA   Ch631 2926  10.200 -15.028   8.599
    4PA    H632 2927  10.282 -14.957   8.595
    4PA    H633 2928  10.133 -15.005   8.682
    4PA   Ch634 2929  10.250 -15.170   8.620
    4PA    H635 2930  10.167 -15.240   8.633
    4PA    H636 2931  10.286 -15.159   8.722
    4PA   Ch637 2932  10.365 -15.196   8.524
    4PA    H638 2933  10.350 -15.158   8.423
    4PA    H639 2934  10.426 -15.112   8.558
    4PA   Ch640 2935  10.409 -15.341   8.534
    4PA    H641 2936  10.329 -15.399   8.486
    4PA    H642 2937  10.416 -15.358   8.641
    4PA    N643 2938  10.545 -15.371   8.494
    4PA   Hn644 2939  10.616 -15.398   8.561
    4PA   Ca645 2940  10.600 -15.377   8.372
    4PA    O646 2941  10.573 -15.288   8.292
    4PA   Ch647 2942  10.645 -15.514   8.324
    4PA    H648 2943  10.640 -15.574   8.415
    4PA    H649 2944  10.575 -15.566   8.259
    4PA   Ch650 2945  10.783 -15.512   8.260
    4PA    H651 2946  10.795 -15.434   8.185
    4PA    H652 2947  10.767 -15.593   8.189
    4PA   Ch653 2948  10.901 -15.554   8.347
    4PA    H654 2949  10.988 -15.515   8.295
    4PA    H655 2950  10.909 -15.483   8.430
    4PA   Ch656 2951  10.926 -15.703   8.365
    4PA    H657 2952  11.033 -15.710   8.348
    4PA    H658 2953  10.891 -15.770   8.286
    4PA   Ca659 2954  10.877 -15.756   8.499
    4PA    O660 2955  10.758 -15.779   8.523
    4PA    N661 2956  10.966 -15.757   8.598
    4PA   Hn662 2957  11.012 -15.668   8.607
    4PA   Ch663 2958  11.038 -15.878   8.635
    4PA    H664 2959  11.042 -15.876   8.744
    4PA    H665 2960  10.987 -15.969   8.603
    4PA   Ch666 2961  11.185 -15.871   8.596
    4PA    H667 2962  11.218 -15.784   8.653
    4PA    H668 2963  11.198 -15.881   8.488
    4PA   Ch669 2964  11.255 -15.999   8.638
    4PA    H670 2965  11.200 -16.084   8.596
    4PA    H671 2966  11.345 -16.010   8.577
    4PA   Ch672 2967  11.269 -16.017   8.789
    4PA    H673 2968  11.314 -16.110   8.824
    4PA    H674 2969  11.169 -16.034   8.830
    4PA   Ch675 2970  11.329 -15.903   8.870
    4PA    H676 2971  11.393 -15.854   8.796
    4PA    H677 2972  11.251 -15.827   8.874
    4PA   Ch678 2973  11.409 -15.935   8.995
    4PA    H679 2974  11.508 -15.907   8.960
    4PA    H680 2975  11.437 -16.038   9.019
    4PA    N681 2976  11.349 -15.862   9.105
    4PA   Hn682 2977  11.264 -15.808   9.093
    4PA   Ca683 2978  11.404 -15.819   9.219
    4PA    O684 2979  11.455 -15.890   9.305
    4PA   Ch685 2980  11.429 -15.672   9.252
    4PA    H686 2981  11.487 -15.665   9.344
    4PA    H687 2982  11.489 -15.633   9.171
    4PA   Ch688 2983  11.316 -15.570   9.263
    4PA    H689 2984  11.255 -15.583   9.174
    4PA    H690 2985  11.333 -15.463   9.257
    4PA   Ch691 2986  11.227 -15.607   9.381
    4PA    H692 2987  11.120 -15.596   9.362
    4PA    H693 2988  11.241 -15.712   9.406
    4PA   Ch694 2989  11.249 -15.529   9.510
    4PA    H695 2990  11.151 -15.542   9.558
    4PA    H696 2991  11.248 -15.427   9.470
    4PA   Ca697 2992  11.371 -15.545   9.599
    4PA    O698 2993  11.468 -15.469   9.595
    4PA    N699 2994  11.343 -15.578   9.726
    4PA   Hn700 2995  11.258 -15.527   9.746
    4PA   Ch701 2996  11.371 -15.704   9.791
    4PA    H702 2997  11.309 -15.789   9.763
    4PA    H703 2998  11.476 -15.727   9.772
    4PA   Ch704 2999  11.355 -15.695   9.943
    4PA    H705 3000  11.255 -15.726   9.971
    4PA    H706 3001  11.378 -15.591   9.965
    4PA   Ch707 3002  11.452 -15.774  10.030
    4PA    H708 3003  11.463 -15.861   9.966
    4PA    H709 3004  11.552 -15.732  10.017
    4PA   Ch710 3005  11.417 -15.822  10.170
    4PA    H711 3006  11.395 -15.728  10.221
    4PA    H712 3007  11.491 -15.870  10.235
    4PA   Ch713 3008  11.293 -15.909  10.189
    4PA    H714 3009  11.275 -15.918  10.296
    4PA    H715 3010  11.206 -15.859  10.148
    4PA   Ch716 3011  11.305 -16.037  10.108
    4PA    H717 3012  11.406 -16.077  10.108
    4PA    H718 3013  11.272 -16.032  10.004
    4PA    N719 3014  11.217 -16.139  10.160
    4PA   Hn720 3015  11.188 -16.117  10.254
    4PA   Ca721 3016  11.240 -16.271  10.167
    4PA    O722 3017  11.233 -16.348  10.072
    4PA   Ch723 3018  11.300 -16.326  10.296
    4PA    H724 3019  11.234 -16.277  10.368
    4PA    H725 3020  11.265 -16.429  10.308
    4PA   Ch726 3021  11.445 -16.323  10.341
    4PA    H727 3022  11.509 -16.337  10.254
    4PA    H728 3023  11.469 -16.426  10.367
    4PA   Ch729 3024  11.486 -16.232  10.457
    4PA    H730 3025  11.393 -16.181  10.480
    4PA    H731 3026  11.497 -16.299  10.542
    4PA   Ch732 3027  11.602 -16.139  10.422
    4PA    H733 3028  11.562 -16.088  10.334
    4PA    H734 3029  11.691 -16.199  10.402
    4PA   Ca735 3030  11.635 -16.041  10.533
    4PA    O736 3031  11.693 -16.078  10.635
    4PA    N737 3032  11.603 -15.913  10.514
    4PA   Hn738 3033  11.618 -15.881  10.419
    4PA   Ch739 3034  11.494 -15.830  10.563
    4PA    H740 3035  11.401 -15.844  10.507
    4PA    H741 3036  11.464 -15.828  10.668
    4PA   Ch742 3037  11.521 -15.687  10.521
    4PA    H743 3038  11.535 -15.700  10.414
    4PA    H744 3039  11.620 -15.683  10.568
    4PA   Ch745 3040  11.427 -15.582  10.579
    4PA    H746 3041  11.339 -15.630  10.622
    4PA    H747 3042  11.477 -15.543  10.668
    4PA   Ch748 3043  11.386 -15.468  10.487
    4PA    H749 3044  11.289 -15.432  10.522
    4PA    H750 3045  11.379 -15.502  10.384
    4PA   Ch751 3046  11.487 -15.354  10.482
    4PA    H752 3047  11.594 -15.371  10.483
    4PA    H753 3048  11.470 -15.298  10.390
    4PA   Ch754 3049  11.476 -15.267  10.607
    4PA    H755 3050  11.466 -15.320  10.702
    4PA    H756 3051  11.388 -15.204  10.609
    4PA    N757 3052  11.591 -15.183  10.636
    4PA   Hn758 3053  11.657 -15.161  10.563
    4PA   Ca759 3054  11.599 -15.073  10.711
    4PA    O760 3055  11.538 -15.082  10.818
    4PA   Ch761 3056  11.604 -14.940  10.637
    4PA    H762 3057  11.708 -14.906  10.636
    4PA    H763 3058  11.548 -14.948  10.544
    4PA    H764 3059   6.150 -10.330   3.565
    4PA    H765 3060  11.566 -14.868  10.708
    5PA     Ch1 3061  -1.895   4.640   4.483
    5PA      H2 3062  -1.877   4.577   4.570
    5PA      H3 3063  -1.987   4.596   4.442
    5PA     Ch4 3064  -1.791   4.620   4.374
    5PA      H5 3065  -1.704   4.677   4.409
    5PA      H6 3066  -1.811   4.690   4.293
    5PA     Ch7 3067  -1.762   4.478   4.326
    5PA      H8 3068  -1.713   4.436   4.414
    5PA      H9 3069  -1.839   4.425   4.269
    5PA    Ch10 3070  -1.661   4.466   4.214
    5PA     H11 3071  -1.563   4.494   4.252
    5PA     H12 3072  -1.674   4.555   4.152
    5PA    Ca13 3073  -1.654   4.353   4.112
    5PA     O14 3074  -1.549   4.311   4.064
    5PA     N15 3075  -1.774   4.357   4.054
    5PA    Hn16 3076  -1.842   4.341   4.127
    5PA    Ch17 3077  -1.812   4.399   3.921
    5PA     H18 3078  -1.726   4.411   3.856
    5PA     H19 3079  -1.825   4.305   3.867
    5PA    Ch20 3080  -1.949   4.467   3.916
    5PA     H21 3081  -1.995   4.512   4.004
    5PA     H22 3082  -2.024   4.396   3.883
    5PA    Ch23 3083  -1.952   4.585   3.819
    5PA     H24 3084  -2.036   4.649   3.847
    5PA     H25 3085  -1.862   4.647   3.819
    5PA    Ch26 3086  -1.970   4.560   3.670
    5PA     H27 3087  -2.054   4.499   3.636
    5PA     H28 3088  -1.880   4.511   3.635
    5PA    Ch29 3089  -2.009   4.676   3.578
    5PA     H30 3090  -2.064   4.636   3.493
    5PA     H31 3091  -2.074   4.737   3.641
    5PA    Ch32 3092  -1.903   4.772   3.527
    5PA     H33 3093  -1.798   4.766   3.558
    5PA     H34 3094  -1.962   4.858   3.560
    5PA     N35 3095  -1.906   4.793   3.384
    5PA    Hn36 3096  -1.931   4.715   3.327
    5PA    Ca37 3097  -1.833   4.880   3.313
    5PA     O38 3098  -1.811   4.990   3.363
    5PA    Ch39 3099  -1.729   4.821   3.219
    5PA     H40 3100  -1.768   4.725   3.184
    5PA     H41 3101  -1.720   4.880   3.128
    5PA    Ch42 3102  -1.591   4.773   3.263
    5PA     H43 3103  -1.596   4.681   3.321
    5PA     H44 3104  -1.563   4.833   3.349
    5PA    Ch45 3105  -1.485   4.746   3.157
    5PA     H46 3106  -1.532   4.678   3.085
    5PA     H47 3107  -1.474   4.835   3.094
    5PA    Ch48 3108  -1.343   4.717   3.204
    5PA     H49 3109  -1.291   4.645   3.141
    5PA     H50 3110  -1.339   4.669   3.302
    5PA    Ca51 3111  -1.246   4.828   3.242
    5PA     O52 3112  -1.131   4.790   3.264
    5PA     N53 3113  -1.298   4.946   3.279
    5PA    Hn54 3114  -1.346   4.991   3.202
    5PA    Ch55 3115  -1.344   5.003   3.404
    5PA     H56 3116  -1.405   5.093   3.398
    5PA     H57 3117  -1.412   4.938   3.458
    5PA    Ch58 3118  -1.223   5.019   3.495
    5PA     H59 3119  -1.124   5.036   3.452
    5PA     H60 3120  -1.220   4.937   3.567
    5PA    Ch61 3121  -1.236   5.133   3.595
    5PA     H62 3122  -1.343   5.152   3.611
    5PA     H63 3123  -1.188   5.103   3.688
    5PA    Ch64 3124  -1.171   5.259   3.541
    5PA     H65 3125  -1.218   5.273   3.444
    5PA     H66 3126  -1.065   5.237   3.522
    5PA    Ch67 3127  -1.201   5.387   3.618
    5PA     H68 3128  -1.210   5.450   3.529
    5PA     H69 3129  -1.298   5.380   3.666
    5PA    Ch70 3130  -1.118   5.412   3.743
    5PA     H71 3131  -1.025   5.381   3.696
    5PA     H72 3132  -1.124   5.361   3.840
    5PA     N73 3133  -1.128   5.553   3.773
    5PA    Hn74 3134  -1.146   5.626   3.705
    5PA    Ca75 3135  -1.168   5.599   3.892
    5PA     O76 3136  -1.114   5.554   3.993
    5PA    Ch77 3137  -1.301   5.673   3.904
    5PA     H78 3138  -1.365   5.662   3.817
    5PA     H79 3139  -1.343   5.643   4.000
    5PA    Ch80 3140  -1.281   5.824   3.906
    5PA     H81 3141  -1.237   5.849   3.809
    5PA     H82 3142  -1.212   5.835   3.990
    5PA    Ch83 3143  -1.407   5.904   3.936
    5PA     H84 3144  -1.438   5.929   3.835
    5PA     H85 3145  -1.489   5.844   3.978
    5PA    Ch86 3146  -1.366   6.035   4.001
    5PA     H87 3147  -1.259   6.053   3.996
    5PA     H88 3148  -1.370   6.012   4.108
    5PA    Ca89 3149  -1.423   6.172   3.968
    5PA     O90 3150  -1.449   6.216   3.856
    5PA     N91 3151  -1.485   6.234   4.069
    5PA    Hn92 3152  -1.402   6.245   4.126
    5PA    Ch93 3153  -1.618   6.222   4.126
    5PA     H94 3154  -1.648   6.326   4.140
    5PA     H95 3155  -1.690   6.169   4.065
    5PA    Ch96 3156  -1.599   6.142   4.254
    5PA     H97 3157  -1.511   6.170   4.313
    5PA     H98 3158  -1.603   6.038   4.223
    5PA    Ch99 3159  -1.716   6.147   4.351
    5PA    H100 3160  -1.810   6.129   4.299
    5PA    H101 3161  -1.691   6.071   4.425
    5PA   Ch102 3162  -1.721   6.272   4.438
    5PA    H103 3163  -1.761   6.353   4.377
    5PA    H104 3164  -1.628   6.317   4.474
    5PA   Ch105 3165  -1.822   6.254   4.551
    5PA    H106 3166  -1.924   6.241   4.514
    5PA    H107 3167  -1.788   6.175   4.617
    5PA   Ch108 3168  -1.848   6.363   4.654
    5PA    H109 3169  -1.752   6.408   4.678
    5PA    H110 3170  -1.869   6.312   4.749
    5PA    N111 3171  -1.938   6.467   4.608
    5PA   Hn112 3172  -2.013   6.442   4.545
    5PA   Ca113 3173  -1.944   6.600   4.616
    5PA    O114 3174  -1.938   6.656   4.725
    5PA   Ch115 3175  -1.906   6.668   4.485
    5PA    H116 3176  -1.980   6.625   4.417
    5PA    H117 3177  -1.950   6.765   4.508
    5PA   Ch118 3178  -1.756   6.689   4.472
    5PA    H119 3179  -1.697   6.631   4.544
    5PA    H120 3180  -1.737   6.793   4.502
    5PA   Ch121 3181  -1.680   6.666   4.342
    5PA    H122 3182  -1.677   6.557   4.339
    5PA    H123 3183  -1.726   6.705   4.252
    5PA   Ch124 3184  -1.532   6.699   4.351
    5PA    H125 3185  -1.492   6.607   4.394
    5PA    H126 3186  -1.494   6.763   4.430
    5PA   Ca127 3187  -1.460   6.715   4.218
    5PA    O128 3188  -1.443   6.833   4.190
    5PA    N129 3189  -1.469   6.608   4.138
    5PA   Hn130 3190  -1.466   6.530   4.202
    5PA   Ch131 3191  -1.539   6.599   4.011
    5PA    H132 3192  -1.604   6.513   3.997
    5PA    H133 3193  -1.612   6.680   3.998
    5PA   Ch134 3194  -1.439   6.626   3.899
    5PA    H135 3195  -1.364   6.549   3.912
    5PA    H136 3196  -1.390   6.721   3.921
    5PA   Ch137 3197  -1.473   6.601   3.753
    5PA    H138 3198  -1.374   6.611   3.707
    5PA    H139 3199  -1.517   6.502   3.739
    5PA   Ch140 3200  -1.571   6.713   3.718
    5PA    H141 3201  -1.584   6.800   3.782
    5PA    H142 3202  -1.665   6.662   3.740
    5PA   Ch143 3203  -1.574   6.776   3.579
    5PA    H144 3204  -1.473   6.806   3.553
    5PA    H145 3205  -1.598   6.686   3.523
    5PA   Ch146 3206  -1.682   6.883   3.570
    5PA    H147 3207  -1.653   6.984   3.597
    5PA    H148 3208  -1.763   6.856   3.638
    5PA    N149 3209  -1.730   6.883   3.433
    5PA   Hn150 3210  -1.736   6.796   3.382
    5PA   Ca151 3211  -1.819   6.958   3.368
    5PA    O152 3212  -1.935   6.939   3.403
    5PA   Ch153 3213  -1.774   7.081   3.290
    5PA    H154 3214  -1.748   7.044   3.191
    5PA    H155 3215  -1.870   7.129   3.272
    5PA   Ch156 3216  -1.676   7.179   3.352
    5PA    H157 3217  -1.583   7.132   3.384
    5PA    H158 3218  -1.655   7.252   3.274
    5PA   Ch159 3219  -1.731   7.248   3.477
    5PA    H160 3220  -1.774   7.177   3.548
    5PA    H161 3221  -1.646   7.281   3.536
    5PA   Ch162 3222  -1.827   7.362   3.446
    5PA    H163 3223  -1.910   7.325   3.385
    5PA    H164 3224  -1.783   7.434   3.378
    5PA   Ca165 3225  -1.867   7.448   3.565
    5PA    O166 3226  -1.952   7.399   3.639
    5PA    N167 3227  -1.777   7.541   3.595
    5PA   Hn168 3228  -1.766   7.598   3.512
    5PA   Ch169 3229  -1.692   7.567   3.710
    5PA    H170 3230  -1.745   7.625   3.785
    5PA    H171 3231  -1.683   7.479   3.774
    5PA   Ch172 3232  -1.566   7.644   3.673
    5PA    H173 3233  -1.581   7.753   3.672
    5PA    H174 3234  -1.538   7.640   3.567
    5PA   Ch175 3235  -1.456   7.581   3.758
    5PA    H176 3236  -1.446   7.655   3.837
    5PA    H177 3237  -1.472   7.491   3.819
    5PA   Ch178 3238  -1.320   7.586   3.690
    5PA    H179 3239  -1.286   7.689   3.682
    5PA    H180 3240  -1.314   7.505   3.617
    5PA   Ch181 3241  -1.214   7.530   3.784
    5PA    H182 3242  -1.216   7.592   3.874
    5PA    H183 3243  -1.238   7.429   3.816
    5PA   Ch184 3244  -1.076   7.518   3.721
    5PA    H185 3245  -1.029   7.616   3.722
    5PA    H186 3246  -1.083   7.483   3.618
    5PA    N187 3247  -0.995   7.429   3.803
    5PA   Hn188 3248  -1.038   7.366   3.871
    5PA   Ca189 3249  -0.890   7.356   3.765
    5PA    O190 3250  -0.785   7.397   3.812
    5PA   Ch191 3251  -0.924   7.215   3.719
    5PA    H192 3252  -0.913   7.153   3.808
    5PA    H193 3253  -1.031   7.211   3.698
    5PA   Ch194 3254  -0.822   7.176   3.613
    5PA    H195 3255  -0.766   7.252   3.557
    5PA    H196 3256  -0.858   7.146   3.514
    5PA   Ch197 3257  -0.740   7.056   3.656
    5PA    H198 3258  -0.706   7.027   3.756
    5PA    H199 3259  -0.792   6.967   3.620
    5PA   Ch200 3260  -0.614   7.038   3.572
    5PA    H201 3261  -0.530   7.102   3.597
    5PA    H202 3262  -0.644   7.049   3.467
    5PA   Ca203 3263  -0.550   6.901   3.579
    5PA    O204 3264  -0.585   6.812   3.502
    5PA    N205 3265  -0.476   6.879   3.688
    5PA   Hn206 3266  -0.519   6.936   3.761
    5PA   Ch207 3267  -0.331   6.875   3.679
    5PA    H208 3268  -0.296   6.835   3.584
    5PA    H209 3269  -0.278   6.970   3.690
    5PA   Ch210 3270  -0.276   6.765   3.769
    5PA    H211 3271  -0.185   6.747   3.711
    5PA    H212 3272  -0.348   6.684   3.776
    5PA   Ch213 3273  -0.247   6.824   3.907
    5PA    H214 3274  -0.344   6.863   3.937
    5PA    H215 3275  -0.232   6.756   3.991
    5PA   Ch216 3276  -0.135   6.923   3.936
    5PA    H217 3277  -0.081   6.956   3.847
    5PA    H218 3278  -0.053   6.866   3.979
    5PA   Ch219 3279  -0.175   7.030   4.037
    5PA    H220 3280  -0.265   7.093   4.031
    5PA    H221 3281  -0.206   6.976   4.126
    5PA   Ch222 3282  -0.066   7.127   4.081
    5PA    H223 3283  -0.039   7.184   3.992
    5PA    H224 3284   0.004   7.065   4.138
    5PA    N225 3285  -0.110   7.221   4.181
    5PA   Hn226 3286  -0.199   7.270   4.181
    5PA   Ca227 3287  -0.039   7.283   4.276
    5PA    O228 3288  -0.010   7.216   4.374
    5PA   Ch229 3289  -0.023   7.434   4.268
    5PA    H230 3290  -0.094   7.489   4.207
    5PA    H231 3291  -0.067   7.452   4.366
    5PA   Ch232 3292   0.118   7.482   4.236
    5PA    H233 3293   0.190   7.400   4.227
    5PA    H234 3294   0.162   7.545   4.313
    5PA   Ch235 3295   0.119   7.542   4.096
    5PA    H236 3296   0.226   7.551   4.077
    5PA    H237 3297   0.056   7.497   4.019
    5PA   Ch238 3298   0.085   7.691   4.094
    5PA    H239 3299   0.008   7.708   4.170
    5PA    H240 3300   0.059   7.704   3.989
    5PA   Ca241 3301   0.209   7.773   4.124
    5PA    O242 3302   0.303   7.789   4.046
    5PA    N243 3303   0.180   7.879   4.200
    5PA   Hn244 3304   0.106   7.856   4.265
    5PA   Ch245 3305   0.190   8.019   4.166
    5PA    H246 3306   0.286   8.062   4.137
    5PA    H247 3307   0.116   8.038   4.088
    5PA   Ch248 3308   0.141   8.098   4.287
    5PA    H249 3309   0.206   8.078   4.373
    5PA    H250 3310   0.047   8.051   4.315
    5PA   Ch251 3311   0.124   8.248   4.265
    5PA    H252 3312   0.104   8.274   4.161
    5PA    H253 3313   0.017   8.253   4.288
    5PA   Ch254 3314   0.199   8.342   4.359
    5PA    H255 3315   0.295   8.304   4.394
    5PA    H256 3316   0.157   8.356   4.459
    5PA   Ch257 3317   0.232   8.479   4.304
    5PA    H258 3318   0.327   8.520   4.341
    5PA    H259 3319   0.248   8.451   4.200
    5PA   Ch260 3320   0.121   8.580   4.330
    5PA    H261 3321   0.094   8.575   4.435
    5PA    H262 3322   0.036   8.547   4.270
    5PA    N263 3323   0.155   8.720   4.309
    5PA   Hn264 3324   0.228   8.758   4.367
    5PA   Ca265 3325   0.118   8.803   4.211
    5PA    O266 3326   0.011   8.862   4.211
    5PA   Ch267 3327   0.229   8.831   4.110
    5PA    H268 3328   0.313   8.762   4.123
    5PA    H269 3329   0.176   8.813   4.017
    5PA   Ch270 3330   0.286   8.972   4.108
    5PA    H271 3331   0.208   9.042   4.138
    5PA    H272 3332   0.328   8.995   4.010
    5PA   Ch273 3333   0.414   8.989   4.189
    5PA    H274 3334   0.448   8.932   4.276
    5PA    H275 3335   0.482   8.950   4.113
    5PA   Ch276 3336   0.452   9.135   4.211
    5PA    H277 3337   0.370   9.190   4.257
    5PA    H278 3338   0.471   9.205   4.130
    5PA   Ca279 3339   0.584   9.141   4.287
    5PA    O280 3340   0.577   9.180   4.404
    5PA    N281 3341   0.706   9.129   4.234
    5PA   Hn282 3342   0.706   9.038   4.191
    5PA   Ch283 3343   0.799   9.230   4.189
    5PA    H284 3344   0.761   9.333   4.187
    5PA    H285 3345   0.866   9.239   4.274
    5PA   Ch286 3346   0.878   9.164   4.077
    5PA    H287 3347   0.885   9.055   4.073
    5PA    H288 3348   0.983   9.189   4.090
    5PA   Ch289 3349   0.824   9.191   3.937
    5PA    H290 3350   0.827   9.300   3.926
    5PA    H291 3351   0.900   9.151   3.870
    5PA   Ch292 3352   0.694   9.114   3.917
    5PA    H293 3353   0.633   9.081   4.002
    5PA    H294 3354   0.734   9.018   3.882
    5PA   Ch295 3355   0.635   9.156   3.784
    5PA    H296 3356   0.584   9.250   3.805
    5PA    H297 3357   0.720   9.183   3.721
    5PA   Ch298 3358   0.530   9.068   3.717
    5PA    H299 3359   0.459   9.021   3.786
    5PA    H300 3360   0.567   8.971   3.685
    5PA    N301 3361   0.457   9.118   3.603
    5PA   Hn302 3362   0.518   9.126   3.523
    5PA   Ca303 3363   0.333   9.086   3.563
    5PA    O304 3364   0.252   9.179   3.559
    5PA   Ch305 3365   0.325   8.985   3.450
    5PA    H306 3366   0.231   8.932   3.470
    5PA    H307 3367   0.316   9.029   3.351
    5PA   Ch308 3368   0.412   8.860   3.440
    5PA    H309 3369   0.368   8.777   3.496
    5PA    H310 3370   0.516   8.870   3.471
    5PA   Ch311 3371   0.421   8.801   3.300
    5PA    H312 3372   0.488   8.872   3.251
    5PA    H313 3373   0.499   8.725   3.299
    5PA   Ch314 3374   0.291   8.766   3.229
    5PA    H315 3375   0.201   8.766   3.291
    5PA    H316 3376   0.296   8.678   3.165
    5PA   Ca317 3377   0.238   8.861   3.122
    5PA    O318 3378   0.157   8.945   3.162
    5PA    N319 3379   0.280   8.850   2.996
    5PA   Hn320 3380   0.374   8.887   2.989
    5PA   Ch321 3381   0.195   8.818   2.884
    5PA    H322 3382   0.210   8.710   2.875
    5PA    H323 3383   0.087   8.827   2.901
    5PA   Ch324 3384   0.234   8.876   2.749
    5PA    H325 3385   0.340   8.892   2.729
    5PA    H326 3386   0.185   8.973   2.743
    5PA   Ch327 3387   0.182   8.788   2.636
    5PA    H328 3388   0.232   8.692   2.651
    5PA    H329 3389   0.073   8.785   2.636
    5PA   Ch330 3390   0.200   8.846   2.497
    5PA    H331 3391   0.297   8.896   2.500
    5PA    H332 3392   0.113   8.913   2.501
    5PA   Ch333 3393   0.206   8.749   2.381
    5PA    H334 3394   0.223   8.825   2.305
    5PA    H335 3395   0.292   8.685   2.405
    5PA   Ch336 3396   0.072   8.679   2.362
    5PA    H337 3397  -0.006   8.755   2.368
    5PA    H338 3398   0.064   8.623   2.455
    5PA    N339 3399   0.055   8.609   2.236
    5PA   Hn340 3400   0.122   8.540   2.204
    5PA   Ca341 3401   0.005   8.668   2.127
    5PA    O342 3402  -0.115   8.659   2.102
    5PA   Ch343 3403   0.098   8.727   2.022
    5PA    H344 3404   0.047   8.754   1.929
    5PA    H345 3405   0.155   8.804   2.073
    5PA   Ch346 3406   0.207   8.642   1.957
    5PA    H347 3407   0.178   8.539   1.933
    5PA    H348 3408   0.262   8.612   2.046
    5PA   Ch349 3409   0.292   8.679   1.837
    5PA    H350 3410   0.343   8.774   1.849
    5PA    H351 3411   0.366   8.599   1.833
    5PA   Ch352 3412   0.198   8.687   1.717
    5PA    H353 3413   0.110   8.747   1.737
    5PA    H354 3414   0.164   8.587   1.690
    5PA   Ca355 3415   0.248   8.753   1.590
    5PA    O356 3416   0.269   8.685   1.489
    5PA    N357 3417   0.250   8.886   1.589
    5PA   Hn358 3418   0.286   8.934   1.670
    5PA   Ch359 3419   0.154   8.962   1.511
    5PA    H360 3420   0.110   8.904   1.429
    5PA    H361 3421   0.062   8.975   1.569
    5PA   Ch362 3422   0.223   9.084   1.452
    5PA    H363 3423   0.172   9.095   1.357
    5PA    H364 3424   0.329   9.058   1.439
    5PA   Ch365 3425   0.214   9.222   1.515
    5PA    H366 3426   0.287   9.299   1.487
    5PA    H367 3427   0.139   9.263   1.448
    5PA   Ch368 3428   0.197   9.232   1.666
    5PA    H369 3429   0.285   9.184   1.708
    5PA    H370 3430   0.099   9.186   1.676
    5PA   Ch371 3431   0.193   9.367   1.737
    5PA    H372 3432   0.299   9.388   1.750
    5PA    H373 3433   0.143   9.443   1.677
    5PA   Ch374 3434   0.134   9.355   1.877
    5PA    H375 3435   0.205   9.312   1.948
    5PA    H376 3436   0.035   9.311   1.865
    5PA    N377 3437   0.126   9.490   1.928
    5PA   Hn378 3438   0.149   9.570   1.870
    5PA   Ca379 3439   0.015   9.521   1.996
    5PA    O380 3440   0.039   9.560   2.110
    5PA   Ch381 3441  -0.087   9.583   1.902
    5PA    H382 3442  -0.147   9.669   1.935
    5PA    H383 3443  -0.030   9.648   1.837
    5PA   Ch384 3444  -0.185   9.499   1.822
    5PA    H385 3445  -0.133   9.422   1.764
    5PA    H386 3446  -0.235   9.559   1.746
    5PA   Ch387 3447  -0.291   9.453   1.922
    5PA    H388 3448  -0.247   9.417   2.015
    5PA    H389 3449  -0.336   9.548   1.952
    5PA   Ch390 3450  -0.386   9.340   1.884
    5PA    H391 3451  -0.412   9.281   1.972
    5PA    H392 3452  -0.327   9.278   1.816
    5PA   Ca393 3453  -0.523   9.378   1.829
    5PA    O394 3454  -0.617   9.420   1.897
    5PA    N395 3455  -0.530   9.344   1.701
    5PA   Hn396 3456  -0.510   9.246   1.683
    5PA   Ch397 3457  -0.509   9.452   1.607
    5PA    H398 3458  -0.500   9.538   1.675
    5PA    H399 3459  -0.425   9.432   1.540
    5PA   Ch400 3460  -0.629   9.446   1.513
    5PA    H401 3461  -0.723   9.420   1.561
    5PA    H402 3462  -0.610   9.362   1.446
    5PA   Ch403 3463  -0.656   9.584   1.455
    5PA    H404 3464  -0.667   9.659   1.534
    5PA    H405 3465  -0.575   9.594   1.384
    5PA   Ch406 3466  -0.787   9.590   1.378
    5PA    H407 3467  -0.864   9.655   1.421
    5PA    H408 3468  -0.837   9.495   1.363
    5PA   Ch409 3469  -0.778   9.636   1.233
    5PA    H410 3470  -0.723   9.729   1.239
    5PA    H411 3471  -0.716   9.558   1.188
    5PA   Ch412 3472  -0.906   9.643   1.149
    5PA    H413 3473  -0.941   9.737   1.191
    5PA    H414 3474  -0.970   9.563   1.185
    5PA    N415 3475  -0.893   9.669   1.007
    5PA   Hn416 3476  -0.804   9.640   0.969
    5PA   Ca417 3477  -0.978   9.651   0.905
    5PA    O418 3478  -1.071   9.729   0.884
    5PA   Ch419 3479  -0.972   9.519   0.831
    5PA    H420 3480  -1.074   9.487   0.853
    5PA    H421 3481  -0.964   9.548   0.727
    5PA   Ch422 3482  -0.878   9.400   0.852
    5PA    H423 3483  -0.867   9.397   0.960
    5PA    H424 3484  -0.776   9.424   0.822
    5PA   Ch425 3485  -0.905   9.257   0.807
    5PA    H426 3486  -0.829   9.197   0.857
    5PA    H427 3487  -0.986   9.206   0.859
    5PA   Ch428 3488  -0.910   9.230   0.657
    5PA    H429 3489  -0.812   9.193   0.626
    5PA    H430 3490  -0.930   9.324   0.605
    5PA   Ca431 3491  -1.011   9.123   0.618
    5PA    O432 3492  -0.959   9.020   0.578
    5PA    N433 3493  -1.143   9.143   0.617
    5PA   Hn434 3494  -1.138   9.244   0.618
    5PA   Ch435 3495  -1.222   9.071   0.715
    5PA    H436 3496  -1.189   8.967   0.709
    5PA    H437 3497  -1.190   9.082   0.818
    5PA   Ch438 3498  -1.365   9.122   0.734
    5PA    H439 3499  -1.379   9.227   0.712
    5PA    H440 3500  -1.373   9.152   0.839
    5PA   Ch441 3501  -1.466   9.018   0.687
    5PA    H442 3502  -1.409   8.957   0.616
    5PA    H443 3503  -1.474   8.968   0.784
    5PA   Ch444 3504  -1.589   9.076   0.620
    5PA    H445 3505  -1.601   9.018   0.529
    5PA    H446 3506  -1.560   9.175   0.583
    5PA   Ch447 3507  -1.724   9.091   0.691
    5PA    H448 3508  -1.711   9.006   0.758
    5PA    H449 3509  -1.707   9.144   0.784
    5PA   Ch450 3510  -1.862   9.123   0.635
    5PA    H451 3511  -1.889   9.033   0.581
    5PA    H452 3512  -1.848   9.204   0.563
    5PA    N453 3513  -1.950   9.187   0.730
    5PA   Hn454 3514  -1.953   9.130   0.814
    5PA   Ca455 3515  -2.053   9.264   0.693
    5PA    O456 3516  -2.045   9.337   0.594
    5PA   Ch457 3517  -2.156   9.298   0.799
    5PA    H458 3518  -2.113   9.298   0.898
    5PA    H459 3519  -2.173   9.403   0.773
    5PA   Ch460 3520  -2.282   9.214   0.816
    5PA    H461 3521  -2.285   9.171   0.916
    5PA    H462 3522  -2.283   9.118   0.763
    5PA   Ch463 3523  -2.409   9.296   0.804
    5PA    H464 3524  -2.440   9.312   0.907
    5PA    H465 3525  -2.379   9.392   0.762
    5PA   Ch466 3526  -2.527   9.245   0.721
    5PA    H467 3527  -2.544   9.156   0.780
    5PA    H468 3528  -2.518   9.244   0.612
    5PA   Ca469 3529  -2.657   9.324   0.715
    5PA    O470 3530  -2.760   9.260   0.693
    5PA    N471 3531  -2.669   9.454   0.743
    5PA   Hn472 3532  -2.643   9.436   0.839
    5PA   Ch473 3533  -2.667   9.575   0.664
    5PA    H474 3534  -2.587   9.645   0.689
    5PA    H475 3535  -2.652   9.549   0.559
    5PA   Ch476 3536  -2.800   9.648   0.678
    5PA    H477 3537  -2.838   9.616   0.775
    5PA    H478 3538  -2.870   9.620   0.599
    5PA   Ch479 3539  -2.794   9.795   0.715
    5PA    H480 3540  -2.881   9.843   0.761
    5PA    H481 3541  -2.717   9.812   0.790
    5PA   Ch482 3542  -2.776   9.886   0.594
    5PA    H483 3543  -2.861   9.877   0.526
    5PA    H484 3544  -2.699   9.851   0.525
    5PA   Ch485 3545  -2.735  10.027   0.636
    5PA    H486 3546  -2.802  10.051   0.719
    5PA    H487 3547  -2.634  10.017   0.675
    5PA   Ch488 3548  -2.750  10.117   0.514
    5PA    H489 3549  -2.834  10.078   0.456
    5PA    H490 3550  -2.664  10.116   0.448
    5PA    N491 3551  -2.771  10.252   0.562
    5PA   Hn492 3552  -2.702  10.312   0.605
    5PA   Ca493 3553  -2.874  10.337   0.567
    5PA    O494 3554  -2.947  10.333   0.666
    5PA   Ch495 3555  -2.882  10.442   0.457
    5PA    H496 3556  -2.912  10.531   0.513
    5PA    H497 3557  -2.776  10.457   0.433
    5PA   Ch498 3558  -2.989  10.407   0.355
    5PA    H499 3559  -3.031  10.306   0.351
    5PA    H500 3560  -2.948  10.429   0.256
    5PA   Ch501 3561  -3.105  10.504   0.338
    5PA    H502 3562  -3.151  10.519   0.436
    5PA    H503 3563  -3.051  10.598   0.326
    5PA   Ch504 3564  -3.203  10.474   0.226
    5PA    H505 3565  -3.295  10.465   0.284
    5PA    H506 3566  -3.177  10.377   0.181
    5PA   Ca507 3567  -3.230  10.590   0.132
    5PA    O508 3568  -3.184  10.562   0.022
    5PA    N509 3569  -3.241  10.712   0.185
    5PA   Hn510 3570  -3.341  10.720   0.172
    5PA   Ch511 3571  -3.138  10.813   0.182
    5PA    H512 3572  -3.127  10.836   0.289
    5PA    H513 3573  -3.040  10.773   0.157
    5PA   Ch514 3574  -3.175  10.933   0.097
    5PA    H515 3575  -3.275  10.922   0.053
    5PA    H516 3576  -3.111  10.930   0.009
    5PA   Ch517 3577  -3.177  11.058   0.184
    5PA    H518 3578  -3.238  11.039   0.273
    5PA    H519 3579  -3.075  11.094   0.198
    5PA   Ch520 3580  -3.210  11.179   0.097
    5PA    H521 3581  -3.285  11.149   0.023
    5PA    H522 3582  -3.118  11.179   0.039
    5PA   Ch523 3583  -3.221  11.309   0.176
    5PA    H524 3584  -3.278  11.272   0.261
    5PA    H525 3585  -3.133  11.341   0.231
    5PA   Ch526 3586  -3.299  11.417   0.101
    5PA    H527 3587  -3.363  11.464   0.175
    5PA    H528 3588  -3.358  11.385   0.016
    5PA    N529 3589  -3.192  11.502   0.054
    5PA   Hn530 3590  -3.120  11.535   0.117
    5PA   Ca531 3591  -3.196  11.575  -0.058
    5PA    O532 3592  -3.162  11.532  -0.169
    5PA   Ch533 3593  -3.206  11.726  -0.045
    5PA    H534 3594  -3.150  11.744   0.048
    5PA    H535 3595  -3.141  11.769  -0.121
    5PA   Ch536 3596  -3.342  11.793  -0.036
    5PA    H537 3597  -3.399  11.740   0.041
    5PA    H538 3598  -3.391  11.772  -0.132
    5PA   Ch539 3599  -3.324  11.941  -0.006
    5PA    H540 3600  -3.261  11.957   0.081
    5PA    H541 3601  -3.312  11.993  -0.102
    5PA   Ch542 3602  -3.466  11.982   0.030
    5PA    H543 3603  -3.478  11.920   0.119
    5PA    H544 3604  -3.537  11.968  -0.052
    5PA   Ca545 3605  -3.470  12.128   0.073
    5PA    O546 3606  -3.574  12.188   0.046
    5PA    N547 3607  -3.375  12.189   0.144
    5PA   Hn548 3608  -3.280  12.187   0.110
    5PA   Ch549 3609  -3.386  12.262   0.268
    5PA    H550 3610  -3.314  12.343   0.260
    5PA    H551 3611  -3.475  12.323   0.287
    5PA   Ch552 3612  -3.369  12.163   0.383
    5PA    H553 3613  -3.413  12.065   0.368
    5PA    H554 3614  -3.448  12.185   0.456
    5PA   Ch555 3615  -3.237  12.157   0.458
    5PA    H556 3616  -3.261  12.085   0.535
    5PA    H557 3617  -3.153  12.116   0.401
    5PA   Ch558 3618  -3.212  12.286   0.535
    5PA    H559 3619  -3.303  12.325   0.580
    5PA    H560 3620  -3.173  12.357   0.463
    5PA   Ch561 3621  -3.109  12.269   0.646
    5PA    H562 3622  -3.165  12.314   0.728
    5PA    H563 3623  -3.060  12.176   0.673
    5PA   Ch564 3624  -2.971  12.333   0.637
    5PA    H565 3625  -2.972  12.436   0.600
    5PA    H566 3626  -2.926  12.295   0.545
    5PA    N567 3627  -2.886  12.322   0.754
    5PA   Hn568 3628  -2.802  12.267   0.752
    5PA   Ca569 3629  -2.839  12.430   0.819
    5PA    O570 3630  -2.923  12.480   0.894
    5PA   Ch571 3631  -2.704  12.491   0.787
    5PA    H572 3632  -2.682  12.557   0.872
    5PA    H573 3633  -2.624  12.416   0.782
    5PA   Ch574 3634  -2.693  12.536   0.642
    5PA    H575 3635  -2.780  12.599   0.622
    5PA    H576 3636  -2.697  12.448   0.578
    5PA   Ch577 3637  -2.567  12.609   0.600
    5PA    H578 3638  -2.538  12.687   0.670
    5PA    H579 3639  -2.501  12.525   0.622
    5PA   Ch580 3640  -2.546  12.641   0.452
    5PA    H581 3641  -2.652  12.647   0.427
    5PA    H582 3642  -2.500  12.555   0.403
    5PA   Ca583 3643  -2.468  12.769   0.426
    5PA    O584 3644  -2.521  12.877   0.447
    5PA    N585 3645  -2.341  12.761   0.384
    5PA   Hn586 3646  -2.323  12.668   0.348
    5PA   Ch587 3647  -2.217  12.805   0.444
    5PA    H588 3648  -2.238  12.898   0.497
    5PA    H589 3649  -2.171  12.722   0.499
    5PA   Ch590 3650  -2.119  12.799   0.328
    5PA    H591 3651  -2.157  12.853   0.240
    5PA    H592 3652  -2.133  12.706   0.273
    5PA   Ch593 3653  -1.975  12.848   0.336
    5PA    H594 3654  -1.934  12.777   0.407
    5PA    H595 3655  -1.943  12.839   0.233
    5PA   Ch596 3656  -1.961  12.995   0.375
    5PA    H597 3657  -1.980  12.973   0.481
    5PA    H598 3658  -2.042  13.054   0.334
    5PA   Ch599 3659  -1.826  13.055   0.338
    5PA    H600 3660  -1.787  13.012   0.246
    5PA    H601 3661  -1.840  13.162   0.323
    5PA   Ch602 3662  -1.723  13.064   0.449
    5PA    H603 3663  -1.688  12.961   0.465
    5PA    H604 3664  -1.780  13.098   0.536
    5PA    N605 3665  -1.614  13.154   0.421
    5PA   Hn606 3666  -1.521  13.135   0.386
    5PA   Ca607 3667  -1.572  13.232   0.521
    5PA    O608 3668  -1.606  13.351   0.519
    5PA   Ch609 3669  -1.484  13.170   0.628
    5PA    H610 3670  -1.543  13.109   0.695
    5PA    H611 3671  -1.409  13.109   0.577
    5PA   Ch612 3672  -1.396  13.265   0.708
    5PA    H613 3673  -1.358  13.204   0.790
    5PA    H614 3674  -1.471  13.340   0.731
    5PA   Ch615 3675  -1.273  13.330   0.645
    5PA    H616 3676  -1.210  13.244   0.622
    5PA    H617 3677  -1.301  13.361   0.543
    5PA   Ch618 3678  -1.168  13.418   0.711
    5PA    H619 3679  -1.175  13.381   0.814
    5PA    H620 3680  -1.202  13.520   0.724
    5PA   Ca621 3681  -1.026  13.420   0.658
    5PA    O622 3682  -0.938  13.367   0.725
    5PA    N623 3683  -0.997  13.504   0.557
    5PA   Hn624 3684  -1.047  13.590   0.574
    5PA   Ch625 3685  -0.983  13.452   0.423
    5PA    H626 3686  -0.971  13.344   0.423
    5PA    H627 3687  -1.065  13.457   0.351
    5PA   Ch628 3688  -0.866  13.524   0.356
    5PA    H629 3689  -0.851  13.455   0.273
    5PA    H630 3690  -0.778  13.489   0.411
    5PA   Ch631 3691  -0.832  13.663   0.304
    5PA    H632 3692  -0.884  13.670   0.208
    5PA    H633 3693  -0.895  13.732   0.358
    5PA   Ch634 3694  -0.684  13.700   0.309
    5PA    H635 3695  -0.615  13.616   0.298
    5PA    H636 3696  -0.661  13.738   0.409
    5PA   Ch637 3697  -0.634  13.825   0.239
    5PA    H638 3698  -0.674  13.813   0.138
    5PA    H639 3699  -0.685  13.900   0.300
    5PA   Ch640 3700  -0.487  13.860   0.260
    5PA    H641 3701  -0.421  13.824   0.182
    5PA    H642 3702  -0.457  13.813   0.354
    5PA    N643 3703  -0.445  13.994   0.297
    5PA   Hn644 3704  -0.497  14.080   0.295
    5PA   Ca645 3705  -0.324  14.048   0.312
    5PA    O646 3706  -0.223  14.009   0.370
    5PA   Ch647 3707  -0.281  14.161   0.218
    5PA    H648 3708  -0.255  14.118   0.122
    5PA    H649 3709  -0.369  14.198   0.167
    5PA   Ch650 3710  -0.218  14.296   0.250
    5PA    H651 3711  -0.123  14.295   0.195
    5PA    H652 3712  -0.195  14.309   0.356
    5PA   Ch653 3713  -0.294  14.426   0.232
    5PA    H654 3714  -0.331  14.425   0.129
    5PA    H655 3715  -0.387  14.421   0.290
    5PA   Ch656 3716  -0.210  14.552   0.217
    5PA    H657 3717  -0.286  14.611   0.163
    5PA    H658 3718  -0.115  14.524   0.173
    5PA   Ca659 3719  -0.168  14.633   0.339
    5PA    O660 3720  -0.059  14.690   0.338
    5PA    N661 3721  -0.259  14.681   0.424
    5PA   Hn662 3722  -0.329  14.609   0.439
    5PA   Ch663 3723  -0.317  14.813   0.440
    5PA    H664 3724  -0.238  14.881   0.470
    5PA    H665 3725  -0.331  14.846   0.337
    5PA   Ch666 3726  -0.442  14.816   0.527
    5PA    H667 3727  -0.427  14.850   0.629
    5PA    H668 3728  -0.493  14.721   0.546
    5PA   Ch669 3729  -0.562  14.902   0.487
    5PA    H670 3730  -0.577  14.886   0.380
    5PA    H671 3731  -0.646  14.876   0.552
    5PA   Ch672 3732  -0.565  15.051   0.516
    5PA    H673 3733  -0.463  15.086   0.500
    5PA    H674 3734  -0.575  15.050   0.624
    5PA   Ch675 3735  -0.692  15.121   0.467
    5PA    H676 3736  -0.689  15.131   0.359
    5PA    H677 3737  -0.795  15.089   0.479
    5PA   Ch678 3738  -0.702  15.266   0.511
    5PA    H679 3739  -0.732  15.309   0.415
    5PA    H680 3740  -0.602  15.291   0.545
    5PA    N681 3741  -0.804  15.292   0.610
    5PA   Hn682 3742  -0.764  15.347   0.685
    5PA   Ca683 3743  -0.915  15.363   0.587
    5PA    O684 3744  -0.995  15.321   0.503
    5PA   Ch685 3745  -0.885  15.510   0.607
    5PA    H686 3746  -0.853  15.511   0.712
    5PA    H687 3747  -0.804  15.535   0.538
    5PA   Ch688 3748  -0.976  15.631   0.586
    5PA    H689 3749  -1.056  15.625   0.659
    5PA    H690 3750  -1.006  15.622   0.481
    5PA   Ch691 3751  -0.892  15.754   0.617
    5PA    H692 3752  -0.855  15.735   0.718
    5PA    H693 3753  -0.809  15.739   0.547
    5PA   Ch694 3754  -0.945  15.892   0.581
    5PA    H695 3755  -1.054  15.889   0.591
    5PA    H696 3756  -0.916  15.927   0.481
    5PA   Ca697 3757  -0.897  16.004   0.671
    5PA    O698 3758  -0.980  16.091   0.699
    5PA    N699 3759  -0.767  16.026   0.689
    5PA   Hn700 3760  -0.738  16.015   0.593
    5PA   Ch701 3761  -0.688  15.969   0.797
    5PA    H702 3762  -0.743  15.950   0.889
    5PA    H703 3763  -0.626  15.880   0.794
    5PA   Ch704 3764  -0.593  16.074   0.853
    5PA    H705 3765  -0.635  16.107   0.948
    5PA    H706 3766  -0.604  16.164   0.793
    5PA   Ch707 3767  -0.453  16.020   0.880
    5PA    H708 3768  -0.456  15.924   0.931
    5PA    H709 3769  -0.411  16.003   0.781
    5PA   Ch710 3770  -0.365  16.108   0.969
    5PA    H711 3771  -0.411  16.104   1.067
    5PA    H712 3772  -0.367  16.210   0.930
    5PA   Ch713 3773  -0.215  16.083   0.957
    5PA    H714 3774  -0.214  16.025   0.865
    5PA    H715 3775  -0.164  16.179   0.967
    5PA   Ch716 3776  -0.159  16.009   1.077
    5PA    H717 3777  -0.225  15.923   1.062
    5PA    H718 3778  -0.170  16.040   1.181
    5PA    N719 3779  -0.016  15.998   1.061
    5PA   Hn720 3780   0.018  15.917   1.011
    5PA   Ca721 3781   0.092  16.039   1.128
    5PA    O722 3782   0.137  16.149   1.097
    5PA   Ch723 3783   0.167  15.959   1.235
    5PA    H724 3784   0.183  15.856   1.204
    5PA    H725 3785   0.271  15.989   1.236
    5PA   Ch726 3786   0.102  15.960   1.373
    5PA    H727 3787   0.015  16.023   1.391
    5PA    H728 3788   0.186  15.985   1.438
    5PA   Ch729 3789   0.024  15.835   1.409
    5PA    H730 3790  -0.045  15.815   1.326
    5PA    H731 3791   0.107  15.767   1.391
    5PA   Ch732 3792  -0.022  15.804   1.552
    5PA    H733 3793  -0.129  15.786   1.557
    5PA    H734 3794  -0.016  15.883   1.626
    5PA   Ca735 3795   0.048  15.688   1.620
    5PA    O736 3796   0.171  15.686   1.623
    5PA    N737 3797  -0.016  15.573   1.598
    5PA   Hn738 3798  -0.086  15.569   1.671
    5PA   Ch739 3799   0.022  15.471   1.502
    5PA    H740 3800   0.039  15.510   1.401
    5PA    H741 3801   0.123  15.437   1.525
    5PA   Ch742 3802  -0.062  15.344   1.509
    5PA    H743 3803  -0.091  15.327   1.613
    5PA    H744 3804   0.010  15.270   1.473
    5PA   Ch745 3805  -0.177  15.328   1.411
    5PA    H746 3806  -0.249  15.402   1.445
    5PA    H747 3807  -0.155  15.357   1.309
    5PA   Ch748 3808  -0.265  15.204   1.424
    5PA    H749 3809  -0.349  15.225   1.357
    5PA    H750 3810  -0.303  15.178   1.523
    5PA   Ch751 3811  -0.203  15.083   1.355
    5PA    H752 3812  -0.286  15.012   1.357
    5PA    H753 3813  -0.163  15.070   1.255
    5PA   Ch754 3814  -0.110  15.005   1.447
    5PA    H755 3815  -0.102  15.025   1.554
    5PA    H756 3816  -0.006  15.022   1.417
    5PA    N757 3817  -0.124  14.867   1.406
    5PA   Hn758 3818  -0.097  14.852   1.310
    5PA   Ca759 3819  -0.171  14.756   1.463
    5PA    O760 3820  -0.157  14.714   1.578
    5PA   Ch761 3821  -0.300  14.698   1.405
    5PA    H762 3822  -0.387  14.741   1.454
    5PA    H763 3823  -0.305  14.721   1.298
    5PA    H764 3824  -1.916   4.743   4.512
    5PA    H765 3825  -0.299  14.589   1.411
    6PA     Ch1 3826  -4.501   9.284  -9.281
    6PA      H2 3827  -4.500   9.378  -9.225
    6PA      H3 3828  -4.589   9.311  -9.339
    6PA     Ch4 3829  -4.510   9.175  -9.174
    6PA      H5 3830  -4.415   9.172  -9.120
    6PA      H6 3831  -4.516   9.076  -9.219
    6PA     Ch7 3832  -4.637   9.175  -9.090
    6PA      H8 3833  -4.682   9.274  -9.082
    6PA      H9 3834  -4.716   9.133  -9.152
    6PA    Ch10 3835  -4.618   9.121  -8.949
    6PA     H11 3836  -4.524   9.067  -8.940
    6PA     H12 3837  -4.679   9.035  -8.923
    6PA    Ca13 3838  -4.626   9.224  -8.837
    6PA     O14 3839  -4.724   9.245  -8.766
    6PA     N15 3840  -4.512   9.292  -8.824
    6PA    Hn16 3841  -4.467   9.303  -8.914
    6PA    Ch17 3842  -4.419   9.261  -8.718
    6PA     H18 3843  -4.461   9.306  -8.628
    6PA     H19 3844  -4.419   9.155  -8.693
    6PA    Ch20 3845  -4.281   9.319  -8.748
    6PA     H21 3846  -4.306   9.424  -8.735
    6PA     H22 3847  -4.259   9.269  -8.843
    6PA    Ch23 3848  -4.160   9.274  -8.668
    6PA     H24 3849  -4.160   9.309  -8.564
    6PA     H25 3850  -4.166   9.166  -8.656
    6PA    Ch26 3851  -4.025   9.318  -8.723
    6PA     H27 3852  -3.992   9.399  -8.658
    6PA     H28 3853  -4.021   9.342  -8.829
    6PA    Ch29 3854  -3.919   9.212  -8.698
    6PA     H30 3855  -3.835   9.258  -8.751
    6PA     H31 3856  -3.916   9.191  -8.591
    6PA    Ch32 3857  -3.926   9.068  -8.747
    6PA     H33 3858  -3.822   9.035  -8.739
    6PA     H34 3859  -3.956   9.067  -8.852
    6PA     N35 3860  -3.996   8.964  -8.675
    6PA    Hn36 3861  -4.060   9.001  -8.606
    6PA    Ca37 3862  -4.063   8.867  -8.737
    6PA     O38 3863  -4.022   8.751  -8.752
    6PA    Ch39 3864  -4.205   8.903  -8.776
    6PA     H40 3865  -4.252   8.830  -8.710
    6PA     H41 3866  -4.244   8.995  -8.733
    6PA    Ch42 3867  -4.257   8.890  -8.919
    6PA     H43 3868  -4.170   8.867  -8.980
    6PA     H44 3869  -4.278   8.993  -8.948
    6PA    Ch45 3870  -4.372   8.792  -8.936
    6PA     H46 3871  -4.357   8.694  -8.890
    6PA     H47 3872  -4.438   8.832  -8.860
    6PA    Ch48 3873  -4.415   8.769  -9.081
    6PA     H49 3874  -4.366   8.677  -9.114
    6PA     H50 3875  -4.391   8.831  -9.167
    6PA    Ca51 3876  -4.566   8.757  -9.099
    6PA     O52 3877  -4.622   8.862  -9.126
    6PA     N53 3878  -4.643   8.648  -9.089
    6PA    Hn54 3879  -4.665   8.635  -8.992
    6PA    Ch55 3880  -4.721   8.575  -9.187
    6PA     H56 3881  -4.759   8.647  -9.260
    6PA     H57 3882  -4.670   8.487  -9.227
    6PA    Ch58 3883  -4.843   8.519  -9.115
    6PA     H59 3884  -4.904   8.596  -9.067
    6PA     H60 3885  -4.798   8.450  -9.043
    6PA    Ch61 3886  -4.924   8.423  -9.202
    6PA     H62 3887  -4.953   8.474  -9.294
    6PA     H63 3888  -4.866   8.331  -9.216
    6PA    Ch64 3889  -5.033   8.328  -9.155
    6PA     H65 3890  -5.094   8.404  -9.106
    6PA     H66 3891  -4.999   8.242  -9.096
    6PA    Ch67 3892  -5.139   8.290  -9.258
    6PA     H68 3893  -5.188   8.375  -9.305
    6PA     H69 3894  -5.086   8.248  -9.344
    6PA    Ch70 3895  -5.259   8.207  -9.216
    6PA     H71 3896  -5.344   8.265  -9.180
    6PA     H72 3897  -5.227   8.159  -9.123
    6PA     N73 3898  -5.294   8.100  -9.307
    6PA    Hn74 3899  -5.276   8.148  -9.394
    6PA    Ca75 3900  -5.413   8.039  -9.319
    6PA     O76 3901  -5.427   7.948  -9.238
    6PA    Ch77 3902  -5.513   8.069  -9.430
    6PA     H78 3903  -5.505   8.171  -9.469
    6PA     H79 3904  -5.479   7.994  -9.502
    6PA    Ch80 3905  -5.661   8.058  -9.396
    6PA     H81 3906  -5.695   8.158  -9.425
    6PA     H82 3907  -5.685   8.038  -9.292
    6PA    Ch83 3908  -5.727   7.941  -9.466
    6PA     H84 3909  -5.672   7.876  -9.535
    6PA     H85 3910  -5.718   7.870  -9.384
    6PA    Ch86 3911  -5.872   7.963  -9.509
    6PA     H87 3912  -5.860   8.025  -9.597
    6PA     H88 3913  -5.927   8.018  -9.433
    6PA    Ca89 3914  -5.972   7.856  -9.551
    6PA     O90 3915  -5.938   7.744  -9.587
    6PA     N91 3916  -6.100   7.892  -9.570
    6PA    Hn92 3917  -6.157   7.936  -9.499
    6PA    Ch93 3918  -6.172   7.914  -9.693
    6PA     H94 3919  -6.245   7.995  -9.700
    6PA     H95 3920  -6.095   7.934  -9.768
    6PA    Ch96 3921  -6.228   7.780  -9.740
    6PA     H97 3922  -6.276   7.719  -9.663
    6PA     H98 3923  -6.141   7.722  -9.769
    6PA    Ch99 3924  -6.297   7.776  -9.875
    6PA    H100 3925  -6.372   7.697  -9.873
    6PA    H101 3926  -6.345   7.870  -9.847
    6PA   Ch102 3927  -6.213   7.810  -9.998
    6PA    H103 3928  -6.107   7.787  -9.991
    6PA    H104 3929  -6.220   7.917 -10.021
    6PA   Ch105 3930  -6.264   7.717 -10.107
    6PA    H106 3931  -6.365   7.676 -10.098
    6PA    H107 3932  -6.250   7.760 -10.206
    6PA   Ch108 3933  -6.179   7.593 -10.133
    6PA    H109 3934  -6.073   7.615 -10.125
    6PA    H110 3935  -6.179   7.558 -10.236
    6PA    N111 3936  -6.214   7.478 -10.053
    6PA   Hn112 3937  -6.247   7.499  -9.960
    6PA   Ca113 3938  -6.140   7.370 -10.028
    6PA    O114 3939  -6.088   7.311 -10.123
    6PA   Ch115 3940  -6.075   7.366  -9.891
    6PA    H116 3941  -6.015   7.276  -9.878
    6PA    H117 3942  -6.013   7.456  -9.897
    6PA   Ch118 3943  -6.155   7.390  -9.763
    6PA    H119 3944  -6.193   7.292  -9.732
    6PA    H120 3945  -6.252   7.436  -9.781
    6PA   Ch121 3946  -6.080   7.459  -9.651
    6PA    H122 3947  -6.000   7.530  -9.674
    6PA    H123 3948  -6.155   7.527  -9.609
    6PA   Ch124 3949  -6.042   7.378  -9.528
    6PA    H125 3950  -5.953   7.319  -9.549
    6PA    H126 3951  -6.110   7.293  -9.539
    6PA   Ca127 3952  -6.056   7.442  -9.390
    6PA    O128 3953  -5.958   7.505  -9.352
    6PA    N129 3954  -6.162   7.425  -9.311
    6PA   Hn130 3955  -6.236   7.426  -9.380
    6PA   Ch131 3956  -6.170   7.335  -9.197
    6PA    H132 3957  -6.160   7.238  -9.245
    6PA    H133 3958  -6.095   7.334  -9.118
    6PA   Ch134 3959  -6.308   7.351  -9.135
    6PA    H135 3960  -6.372   7.305  -9.210
    6PA    H136 3961  -6.315   7.452  -9.093
    6PA   Ch137 3962  -6.331   7.257  -9.018
    6PA    H138 3963  -6.312   7.162  -9.069
    6PA    H139 3964  -6.243   7.277  -8.956
    6PA   Ch140 3965  -6.461   7.288  -8.945
    6PA    H141 3966  -6.545   7.271  -9.013
    6PA    H142 3967  -6.461   7.388  -8.901
    6PA   Ch143 3968  -6.468   7.197  -8.824
    6PA    H144 3969  -6.470   7.095  -8.861
    6PA    H145 3970  -6.379   7.217  -8.764
    6PA   Ch146 3971  -6.600   7.234  -8.757
    6PA    H147 3972  -6.671   7.301  -8.806
    6PA    H148 3973  -6.590   7.304  -8.674
    6PA    N149 3974  -6.663   7.110  -8.716
    6PA   Hn150 3975  -6.632   7.030  -8.769
    6PA   Ca151 3976  -6.709   7.077  -8.595
    6PA    O152 3977  -6.765   7.160  -8.525
    6PA   Ch153 3978  -6.638   6.963  -8.522
    6PA    H154 3979  -6.542   6.944  -8.569
    6PA    H155 3980  -6.585   6.997  -8.433
    6PA   Ch156 3981  -6.701   6.824  -8.518
    6PA    H157 3982  -6.674   6.776  -8.612
    6PA    H158 3983  -6.807   6.845  -8.507
    6PA   Ch159 3984  -6.665   6.747  -8.392
    6PA    H160 3985  -6.557   6.762  -8.388
    6PA    H161 3986  -6.711   6.791  -8.304
    6PA   Ch162 3987  -6.673   6.595  -8.407
    6PA    H163 3988  -6.585   6.572  -8.465
    6PA    H164 3989  -6.736   6.545  -8.480
    6PA   Ca165 3990  -6.672   6.504  -8.285
    6PA    O166 3991  -6.754   6.415  -8.264
    6PA    N167 3992  -6.574   6.520  -8.195
    6PA   Hn168 3993  -6.494   6.530  -8.256
    6PA   Ch169 3994  -6.585   6.611  -8.083
    6PA    H170 3995  -6.556   6.709  -8.121
    6PA    H171 3996  -6.685   6.582  -8.050
    6PA   Ch172 3997  -6.481   6.580  -7.976
    6PA    H173 3998  -6.386   6.593  -8.027
    6PA    H174 3999  -6.492   6.475  -7.947
    6PA   Ch175 4000  -6.481   6.670  -7.853
    6PA    H176 4001  -6.385   6.721  -7.841
    6PA    H177 4002  -6.524   6.766  -7.881
    6PA   Ch178 4003  -6.504   6.611  -7.714
    6PA    H179 4004  -6.505   6.505  -7.741
    6PA    H180 4005  -6.606   6.622  -7.677
    6PA   Ch181 4006  -6.409   6.640  -7.599
    6PA    H182 4007  -6.316   6.607  -7.642
    6PA    H183 4008  -6.403   6.746  -7.571
    6PA   Ch184 4009  -6.431   6.569  -7.466
    6PA    H185 4010  -6.479   6.471  -7.462
    6PA    H186 4011  -6.510   6.623  -7.414
    6PA    N187 4012  -6.311   6.578  -7.384
    6PA   Hn188 4013  -6.240   6.649  -7.393
    6PA   Ca189 4014  -6.228   6.479  -7.349
    6PA    O190 4015  -6.271   6.367  -7.320
    6PA   Ch191 4016  -6.092   6.500  -7.413
    6PA    H192 4017  -6.120   6.521  -7.515
    6PA    H193 4018  -6.071   6.586  -7.350
    6PA   Ch194 4019  -5.977   6.403  -7.439
    6PA    H195 4020  -5.971   6.381  -7.545
    6PA    H196 4021  -6.017   6.313  -7.391
    6PA   Ch197 4022  -5.851   6.415  -7.354
    6PA    H198 4023  -5.811   6.508  -7.396
    6PA    H199 4024  -5.870   6.423  -7.246
    6PA   Ch200 4025  -5.745   6.306  -7.355
    6PA    H201 4026  -5.812   6.222  -7.335
    6PA    H202 4027  -5.676   6.315  -7.271
    6PA   Ca203 4028  -5.675   6.276  -7.487
    6PA    O204 4029  -5.573   6.340  -7.510
    6PA    N205 4030  -5.716   6.172  -7.561
    6PA   Hn206 4031  -5.661   6.097  -7.521
    6PA   Ch207 4032  -5.809   6.170  -7.672
    6PA    H208 4033  -5.912   6.148  -7.640
    6PA    H209 4034  -5.778   6.262  -7.722
    6PA   Ch210 4035  -5.769   6.058  -7.766
    6PA    H211 4036  -5.781   5.962  -7.715
    6PA    H212 4037  -5.663   6.079  -7.780
    6PA   Ch213 4038  -5.835   6.056  -7.904
    6PA    H214 4039  -5.940   6.080  -7.917
    6PA    H215 4040  -5.785   6.151  -7.918
    6PA   Ch216 4041  -5.783   5.938  -7.985
    6PA    H217 4042  -5.811   5.855  -7.921
    6PA    H218 4043  -5.676   5.953  -7.974
    6PA   Ch219 4044  -5.819   5.921  -8.132
    6PA    H220 4045  -5.899   5.988  -8.162
    6PA    H221 4046  -5.724   5.953  -8.177
    6PA   Ch222 4047  -5.836   5.772  -8.159
    6PA    H223 4048  -5.764   5.710  -8.106
    6PA    H224 4049  -5.801   5.762  -8.262
    6PA    N225 4050  -5.967   5.710  -8.159
    6PA   Hn226 4051  -5.974   5.609  -8.154
    6PA   Ca227 4052  -6.078   5.764  -8.108
    6PA    O228 4053  -6.152   5.822  -8.187
    6PA   Ch229 4054  -6.120   5.720  -7.969
    6PA    H230 4055  -6.134   5.612  -7.964
    6PA    H231 4056  -6.027   5.741  -7.916
    6PA   Ch232 4057  -6.230   5.798  -7.899
    6PA    H233 4058  -6.306   5.767  -7.971
    6PA    H234 4059  -6.216   5.900  -7.862
    6PA   Ch235 4060  -6.258   5.740  -7.762
    6PA    H236 4061  -6.265   5.631  -7.768
    6PA    H237 4062  -6.167   5.755  -7.704
    6PA   Ch238 4063  -6.390   5.773  -7.693
    6PA    H239 4064  -6.465   5.844  -7.727
    6PA    H240 4065  -6.352   5.836  -7.612
    6PA   Ca241 4066  -6.462   5.658  -7.625
    6PA    O242 4067  -6.541   5.599  -7.698
    6PA    N243 4068  -6.399   5.625  -7.512
    6PA   Hn244 4069  -6.408   5.704  -7.450
    6PA   Ch245 4070  -6.323   5.506  -7.477
    6PA    H246 4071  -6.384   5.422  -7.510
    6PA    H247 4072  -6.230   5.498  -7.534
    6PA   Ch248 4073  -6.288   5.505  -7.329
    6PA    H249 4074  -6.388   5.493  -7.287
    6PA    H250 4075  -6.270   5.605  -7.289
    6PA   Ch251 4076  -6.206   5.383  -7.291
    6PA    H252 4077  -6.147   5.330  -7.366
    6PA    H253 4078  -6.133   5.427  -7.222
    6PA   Ch254 4079  -6.282   5.279  -7.210
    6PA    H255 4080  -6.345   5.317  -7.129
    6PA    H256 4081  -6.204   5.219  -7.162
    6PA   Ch257 4082  -6.345   5.174  -7.301
    6PA    H258 4083  -6.375   5.205  -7.401
    6PA    H259 4084  -6.261   5.106  -7.318
    6PA   Ch260 4085  -6.475   5.111  -7.252
    6PA    H261 4086  -6.557   5.180  -7.272
    6PA    H262 4087  -6.475   5.109  -7.143
    6PA    N263 4088  -6.494   4.981  -7.313
    6PA   Hn264 4089  -6.454   4.949  -7.400
    6PA   Ca265 4090  -6.529   4.871  -7.246
    6PA    O266 4091  -6.634   4.881  -7.183
    6PA   Ch267 4092  -6.419   4.770  -7.218
    6PA    H268 4093  -6.363   4.770  -7.311
    6PA    H269 4094  -6.382   4.805  -7.122
    6PA   Ch270 4095  -6.461   4.625  -7.192
    6PA    H271 4096  -6.536   4.586  -7.261
    6PA    H272 4097  -6.513   4.631  -7.097
    6PA   Ch273 4098  -6.346   4.526  -7.179
    6PA    H274 4099  -6.336   4.472  -7.273
    6PA    H275 4100  -6.246   4.565  -7.163
    6PA   Ch276 4101  -6.370   4.411  -7.082
    6PA    H277 4102  -6.355   4.315  -7.131
    6PA    H278 4103  -6.477   4.392  -7.083
    6PA   Ca279 4104  -6.306   4.401  -6.944
    6PA    O280 4105  -6.302   4.511  -6.888
    6PA    N281 4106  -6.288   4.286  -6.878
    6PA   Hn282 4107  -6.219   4.230  -6.925
    6PA   Ch283 4108  -6.365   4.215  -6.778
    6PA    H284 4109  -6.380   4.289  -6.700
    6PA    H285 4110  -6.463   4.204  -6.824
    6PA   Ch286 4111  -6.295   4.091  -6.725
    6PA    H287 4112  -6.198   4.052  -6.759
    6PA    H288 4113  -6.367   4.015  -6.757
    6PA   Ch289 4114  -6.279   4.080  -6.574
    6PA    H290 4115  -6.231   4.174  -6.548
    6PA    H291 4116  -6.379   4.077  -6.530
    6PA   Ch292 4117  -6.180   3.975  -6.525
    6PA    H293 4118  -6.075   3.994  -6.549
    6PA    H294 4119  -6.213   3.880  -6.566
    6PA   Ch295 4120  -6.171   3.941  -6.377
    6PA    H296 4121  -6.274   3.906  -6.370
    6PA    H297 4122  -6.105   3.854  -6.368
    6PA   Ch298 4123  -6.141   4.056  -6.282
    6PA    H299 4124  -6.222   4.124  -6.312
    6PA    H300 4125  -6.046   4.107  -6.296
    6PA    N301 4126  -6.146   4.020  -6.142
    6PA   Hn302 4127  -6.169   4.106  -6.093
    6PA   Ca303 4128  -6.046   3.965  -6.072
    6PA    O304 4129  -6.019   3.847  -6.092
    6PA   Ch305 4130  -5.955   4.052  -5.986
    6PA    H306 4131  -5.926   3.983  -5.907
    6PA    H307 4132  -5.859   4.058  -6.037
    6PA   Ch308 4133  -6.003   4.190  -5.944
    6PA    H309 4134  -6.076   4.210  -5.866
    6PA    H310 4135  -6.036   4.230  -6.040
    6PA   Ch311 4136  -5.885   4.267  -5.887
    6PA    H312 4137  -5.803   4.234  -5.952
    6PA    H313 4138  -5.876   4.368  -5.928
    6PA   Ch314 4139  -5.850   4.264  -5.739
    6PA    H315 4140  -5.816   4.169  -5.698
    6PA    H316 4141  -5.928   4.284  -5.666
    6PA   Ca317 4142  -5.745   4.368  -5.702
    6PA    O318 4143  -5.773   4.461  -5.627
    6PA    N319 4144  -5.613   4.349  -5.694
    6PA   Hn320 4145  -5.575   4.319  -5.783
    6PA   Ch321 4146  -5.529   4.320  -5.579
    6PA    H322 4147  -5.551   4.401  -5.508
    6PA    H323 4148  -5.556   4.225  -5.533
    6PA   Ch324 4149  -5.385   4.306  -5.627
    6PA    H325 4150  -5.352   4.380  -5.700
    6PA    H326 4151  -5.396   4.202  -5.659
    6PA   Ch327 4152  -5.274   4.297  -5.523
    6PA    H328 4153  -5.283   4.193  -5.490
    6PA    H329 4154  -5.174   4.295  -5.565
    6PA   Ch330 4155  -5.259   4.401  -5.414
    6PA    H331 4156  -5.345   4.405  -5.347
    6PA    H332 4157  -5.272   4.503  -5.451
    6PA   Ch333 4158  -5.135   4.394  -5.325
    6PA    H334 4159  -5.044   4.352  -5.367
    6PA    H335 4160  -5.111   4.483  -5.266
    6PA   Ch336 4161  -5.153   4.292  -5.214
    6PA    H337 4162  -5.176   4.192  -5.252
    6PA    H338 4163  -5.245   4.333  -5.173
    6PA    N339 4164  -5.050   4.289  -5.112
    6PA   Hn340 4165  -4.970   4.350  -5.127
    6PA   Ca341 4166  -5.031   4.220  -5.000
    6PA    O342 4167  -5.021   4.097  -5.005
    6PA   Ch343 4168  -5.072   4.282  -4.867
    6PA    H344 4169  -5.068   4.388  -4.889
    6PA    H345 4170  -5.176   4.261  -4.841
    6PA   Ch346 4171  -4.968   4.274  -4.756
    6PA    H347 4172  -4.930   4.373  -4.728
    6PA    H348 4173  -4.883   4.213  -4.786
    6PA   Ch349 4174  -5.036   4.217  -4.633
    6PA    H350 4175  -5.138   4.253  -4.617
    6PA    H351 4176  -5.050   4.110  -4.650
    6PA   Ch352 4177  -4.952   4.247  -4.509
    6PA    H353 4178  -5.014   4.277  -4.425
    6PA    H354 4179  -4.883   4.332  -4.516
    6PA   Ca355 4180  -4.871   4.123  -4.471
    6PA    O356 4181  -4.760   4.086  -4.509
    6PA    N357 4182  -4.930   4.034  -4.391
    6PA   Hn358 4183  -5.032   4.038  -4.390
    6PA   Ch359 4184  -4.877   3.988  -4.264
    6PA    H360 4185  -4.770   3.968  -4.269
    6PA    H361 4186  -4.893   4.065  -4.188
    6PA   Ch362 4187  -4.931   3.862  -4.197
    6PA    H363 4188  -4.877   3.774  -4.232
    6PA    H364 4189  -5.039   3.874  -4.208
    6PA   Ch365 4190  -4.937   3.865  -4.045
    6PA    H366 4191  -4.855   3.933  -4.020
    6PA    H367 4192  -5.036   3.904  -4.022
    6PA   Ch368 4193  -4.946   3.717  -4.010
    6PA    H369 4194  -4.844   3.686  -4.035
    6PA    H370 4195  -5.018   3.662  -4.070
    6PA   Ch371 4196  -4.973   3.722  -3.860
    6PA    H372 4197  -4.881   3.754  -3.809
    6PA    H373 4198  -5.060   3.783  -3.837
    6PA   Ch374 4199  -4.985   3.582  -3.802
    6PA    H375 4200  -4.887   3.535  -3.788
    6PA    H376 4201  -5.050   3.518  -3.861
    6PA    N377 4202  -5.036   3.603  -3.669
    6PA   Hn378 4203  -4.999   3.675  -3.608
    6PA   Ca379 4204  -5.098   3.525  -3.579
    6PA    O380 4205  -5.203   3.465  -3.601
    6PA   Ch381 4206  -5.023   3.492  -3.451
    6PA    H382 4207  -4.937   3.438  -3.491
    6PA    H383 4208  -4.958   3.575  -3.428
    6PA   Ch384 4209  -5.083   3.391  -3.354
    6PA    H385 4210  -5.191   3.395  -3.367
    6PA    H386 4211  -5.055   3.414  -3.251
    6PA   Ch387 4212  -5.045   3.244  -3.369
    6PA    H388 4213  -5.131   3.184  -3.338
    6PA    H389 4214  -5.021   3.229  -3.474
    6PA   Ch390 4215  -4.940   3.196  -3.270
    6PA    H391 4216  -4.938   3.268  -3.188
    6PA    H392 4217  -4.839   3.193  -3.311
    6PA   Ca393 4218  -4.946   3.056  -3.209
    6PA    O394 4219  -4.973   2.953  -3.269
    6PA    N395 4220  -4.913   3.035  -3.081
    6PA   Hn396 4221  -4.825   3.085  -3.075
    6PA   Ch397 4222  -5.006   3.043  -2.970
    6PA    H398 4223  -4.991   3.142  -2.928
    6PA    H399 4224  -5.113   3.029  -2.987
    6PA   Ch400 4225  -4.971   2.949  -2.856
    6PA    H401 4226  -4.889   2.993  -2.800
    6PA    H402 4227  -4.931   2.860  -2.905
    6PA   Ch403 4228  -5.087   2.890  -2.776
    6PA    H404 4229  -5.173   2.944  -2.816
    6PA    H405 4230  -5.116   2.797  -2.825
    6PA   Ch406 4231  -5.086   2.866  -2.626
    6PA    H407 4232  -5.050   2.956  -2.576
    6PA    H408 4233  -4.999   2.802  -2.611
    6PA   Ch409 4234  -5.210   2.800  -2.567
    6PA    H410 4235  -5.292   2.871  -2.566
    6PA    H411 4236  -5.226   2.720  -2.640
    6PA   Ch412 4237  -5.193   2.771  -2.418
    6PA    H413 4238  -5.164   2.873  -2.391
    6PA    H414 4239  -5.095   2.734  -2.389
    6PA    N415 4240  -5.316   2.718  -2.363
    6PA   Hn416 4241  -5.358   2.778  -2.292
    6PA   Ca417 4242  -5.404   2.622  -2.393
    6PA    O418 4243  -5.463   2.620  -2.501
    6PA   Ch419 4244  -5.426   2.515  -2.288
    6PA    H420 4245  -5.370   2.536  -2.197
    6PA    H421 4246  -5.531   2.504  -2.261
    6PA   Ch422 4247  -5.386   2.371  -2.319
    6PA    H423 4248  -5.341   2.332  -2.227
    6PA    H424 4249  -5.309   2.382  -2.396
    6PA   Ch425 4250  -5.509   2.291  -2.359
    6PA    H426 4251  -5.592   2.313  -2.293
    6PA    H427 4252  -5.544   2.322  -2.458
    6PA   Ch428 4253  -5.447   2.152  -2.373
    6PA    H429 4254  -5.372   2.111  -2.305
    6PA    H430 4255  -5.386   2.160  -2.463
    6PA   Ca431 4256  -5.543   2.035  -2.384
    6PA    O432 4257  -5.538   1.942  -2.304
    6PA    N433 4258  -5.610   2.021  -2.499
    6PA   Hn434 4259  -5.622   2.112  -2.541
    6PA   Ch435 4260  -5.587   1.912  -2.592
    6PA    H436 4261  -5.478   1.902  -2.591
    6PA    H437 4262  -5.644   1.822  -2.573
    6PA   Ch438 4263  -5.633   1.955  -2.731
    6PA    H439 4264  -5.682   2.052  -2.725
    6PA    H440 4265  -5.718   1.896  -2.766
    6PA   Ch441 4266  -5.527   1.943  -2.839
    6PA    H442 4267  -5.442   2.011  -2.827
    6PA    H443 4268  -5.472   1.848  -2.840
    6PA   Ch444 4269  -5.575   1.967  -2.982
    6PA    H445 4270  -5.625   2.063  -2.986
    6PA    H446 4271  -5.646   1.889  -3.012
    6PA   Ch447 4272  -5.462   1.953  -3.083
    6PA    H448 4273  -5.411   2.049  -3.078
    6PA    H449 4274  -5.385   1.883  -3.052
    6PA   Ch450 4275  -5.517   1.934  -3.224
    6PA    H451 4276  -5.618   1.974  -3.236
    6PA    H452 4277  -5.534   1.831  -3.256
    6PA    N453 4278  -5.442   1.989  -3.336
    6PA   Hn454 4279  -5.365   2.041  -3.297
    6PA   Ca455 4280  -5.482   2.000  -3.463
    6PA    O456 4281  -5.488   1.898  -3.531
    6PA   Ch457 4282  -5.546   2.129  -3.512
    6PA    H458 4283  -5.473   2.200  -3.474
    6PA    H459 4284  -5.545   2.119  -3.621
    6PA   Ch460 4285  -5.694   2.140  -3.477
    6PA    H461 4286  -5.696   2.149  -3.368
    6PA    H462 4287  -5.737   2.042  -3.497
    6PA   Ch463 4288  -5.776   2.238  -3.558
    6PA    H464 4289  -5.747   2.333  -3.514
    6PA    H465 4290  -5.757   2.234  -3.666
    6PA   Ch466 4291  -5.926   2.218  -3.544
    6PA    H467 4292  -5.963   2.190  -3.445
    6PA    H468 4293  -5.949   2.122  -3.591
    6PA   Ca469 4294  -6.020   2.321  -3.606
    6PA    O470 4295  -5.981   2.437  -3.599
    6PA    N471 4296  -6.127   2.279  -3.674
    6PA   Hn472 4297  -6.082   2.202  -3.721
    6PA   Ch473 4298  -6.254   2.215  -3.645
    6PA    H474 4299  -6.255   2.112  -3.681
    6PA    H475 4300  -6.264   2.205  -3.537
    6PA   Ch476 4301  -6.373   2.289  -3.705
    6PA    H477 4302  -6.357   2.396  -3.698
    6PA    H478 4303  -6.464   2.269  -3.648
    6PA   Ch479 4304  -6.415   2.252  -3.847
    6PA    H480 4305  -6.332   2.263  -3.917
    6PA    H481 4306  -6.441   2.146  -3.846
    6PA   Ch482 4307  -6.538   2.329  -3.892
    6PA    H483 4308  -6.490   2.415  -3.939
    6PA    H484 4309  -6.617   2.356  -3.822
    6PA   Ch485 4310  -6.631   2.272  -3.999
    6PA    H486 4311  -6.663   2.173  -3.967
    6PA    H487 4312  -6.716   2.340  -3.992
    6PA   Ch488 4313  -6.590   2.289  -4.145
    6PA    H489 4314  -6.487   2.259  -4.164
    6PA    H490 4315  -6.563   2.394  -4.160
    6PA    N491 4316  -6.677   2.229  -4.244
    6PA   Hn492 4317  -6.753   2.178  -4.202
    6PA   Ca493 4318  -6.717   2.271  -4.365
    6PA    O494 4319  -6.640   2.272  -4.461
    6PA   Ch495 4320  -6.849   2.345  -4.375
    6PA    H496 4321  -6.925   2.299  -4.312
    6PA    H497 4322  -6.828   2.431  -4.310
    6PA   Ch498 4323  -6.906   2.394  -4.508
    6PA    H499 4324  -6.920   2.304  -4.567
    6PA    H500 4325  -6.822   2.436  -4.563
    6PA   Ch501 4326  -7.019   2.495  -4.496
    6PA    H502 4327  -7.077   2.462  -4.410
    6PA    H503 4328  -6.963   2.586  -4.471
    6PA   Ch504 4329  -7.097   2.506  -4.626
    6PA    H505 4330  -7.137   2.410  -4.657
    6PA    H506 4331  -7.025   2.531  -4.705
    6PA   Ca507 4332  -7.218   2.598  -4.635
    6PA    O508 4333  -7.226   2.706  -4.575
    6PA    N509 4334  -7.298   2.552  -4.730
    6PA   Hn510 4335  -7.245   2.566  -4.815
    6PA   Ch511 4336  -7.414   2.464  -4.735
    6PA    H512 4337  -7.409   2.403  -4.645
    6PA    H513 4338  -7.507   2.518  -4.714
    6PA   Ch514 4339  -7.435   2.402  -4.873
    6PA    H515 4340  -7.393   2.301  -4.873
    6PA    H516 4341  -7.362   2.436  -4.947
    6PA   Ch517 4342  -7.581   2.400  -4.918
    6PA    H518 4343  -7.648   2.361  -4.841
    6PA    H519 4344  -7.597   2.506  -4.938
    6PA   Ch520 4345  -7.582   2.336  -5.056
    6PA    H521 4346  -7.508   2.256  -5.059
    6PA    H522 4347  -7.565   2.417  -5.127
    6PA   Ch523 4348  -7.712   2.266  -5.090
    6PA    H524 4349  -7.701   2.215  -5.186
    6PA    H525 4350  -7.717   2.178  -5.026
    6PA   Ch526 4351  -7.837   2.353  -5.084
    6PA    H527 4352  -7.817   2.444  -5.141
    6PA    H528 4353  -7.871   2.393  -4.988
    6PA    N529 4354  -7.957   2.276  -5.110
    6PA   Hn530 4355  -7.958   2.178  -5.136
    6PA   Ca531 4356  -8.074   2.314  -5.161
    6PA    O532 4357  -8.140   2.406  -5.114
    6PA   Ch533 4358  -8.115   2.247  -5.292
    6PA    H534 4359  -8.224   2.248  -5.294
    6PA    H535 4360  -8.059   2.269  -5.383
    6PA   Ch536 4361  -8.097   2.097  -5.309
    6PA    H537 4362  -8.106   2.043  -5.214
    6PA    H538 4363  -7.990   2.083  -5.320
    6PA   Ch539 4364  -8.186   2.023  -5.407
    6PA    H540 4365  -8.290   2.028  -5.374
    6PA    H541 4366  -8.166   2.069  -5.504
    6PA   Ch542 4367  -8.146   1.877  -5.425
    6PA    H543 4368  -8.234   1.820  -5.395
    6PA    H544 4369  -8.082   1.832  -5.349
    6PA   Ca545 4370  -8.094   1.820  -5.557
    6PA    O546 4371  -8.169   1.754  -5.628
    6PA    N547 4372  -7.963   1.800  -5.571
    6PA   Hn548 4373  -7.923   1.889  -5.541
    6PA   Ch549 4374  -7.887   1.676  -5.573
    6PA    H550 4375  -7.935   1.614  -5.497
    6PA    H551 4376  -7.901   1.633  -5.672
    6PA   Ch552 4377  -7.738   1.706  -5.570
    6PA    H553 4378  -7.714   1.788  -5.503
    6PA    H554 4379  -7.733   1.736  -5.675
    6PA   Ch555 4380  -7.647   1.583  -5.575
    6PA    H556 4381  -7.636   1.547  -5.473
    6PA    H557 4382  -7.714   1.509  -5.619
    6PA   Ch558 4383  -7.517   1.576  -5.653
    6PA    H559 4384  -7.443   1.652  -5.628
    6PA    H560 4385  -7.548   1.613  -5.750
    6PA   Ch561 4386  -7.464   1.433  -5.662
    6PA    H562 4387  -7.414   1.434  -5.566
    6PA    H563 4388  -7.541   1.356  -5.655
    6PA   Ch564 4389  -7.358   1.427  -5.771
    6PA    H565 4390  -7.259   1.384  -5.753
    6PA    H566 4391  -7.331   1.523  -5.815
    6PA    N567 4392  -7.414   1.346  -5.877
    6PA   Hn568 4393  -7.443   1.251  -5.859
    6PA   Ca569 4394  -7.387   1.369  -6.006
    6PA    O570 4395  -7.430   1.470  -6.062
    6PA   Ch571 4396  -7.315   1.266  -6.092
    6PA    H572 4397  -7.323   1.165  -6.052
    6PA    H573 4398  -7.368   1.278  -6.186
    6PA   Ch574 4399  -7.166   1.277  -6.123
    6PA    H575 4400  -7.108   1.269  -6.031
    6PA    H576 4401  -7.158   1.379  -6.162
    6PA   Ch577 4402  -7.118   1.170  -6.221
    6PA    H578 4403  -7.139   1.080  -6.164
    6PA    H579 4404  -7.172   1.172  -6.316
    6PA   Ch580 4405  -6.967   1.184  -6.236
    6PA    H581 4406  -6.922   1.143  -6.145
    6PA    H582 4407  -6.950   1.291  -6.241
    6PA   Ca583 4408  -6.910   1.101  -6.349
    6PA    O584 4409  -6.907   1.164  -6.455
    6PA    N585 4410  -6.911   0.968  -6.339
    6PA   Hn586 4411  -6.827   0.954  -6.285
    6PA   Ch587 4412  -7.003   0.863  -6.376
    6PA    H588 4413  -7.088   0.930  -6.366
    6PA    H589 4414  -6.978   0.847  -6.481
    6PA   Ch590 4415  -7.042   0.751  -6.280
    6PA    H591 4416  -7.141   0.729  -6.319
    6PA    H592 4417  -7.070   0.786  -6.181
    6PA   Ch593 4418  -6.965   0.620  -6.281
    6PA    H594 4419  -7.018   0.548  -6.218
    6PA    H595 4420  -6.971   0.598  -6.388
    6PA   Ch596 4421  -6.824   0.627  -6.224
    6PA    H597 4422  -6.816   0.691  -6.135
    6PA    H598 4423  -6.760   0.653  -6.309
    6PA   Ch599 4424  -6.773   0.493  -6.175
    6PA    H600 4425  -6.671   0.527  -6.156
    6PA    H601 4426  -6.835   0.459  -6.092
    6PA   Ch602 4427  -6.788   0.371  -6.266
    6PA    H603 4428  -6.786   0.394  -6.372
    6PA    H604 4429  -6.879   0.312  -6.270
    6PA    N605 4430  -6.671   0.287  -6.246
    6PA   Hn606 4431  -6.612   0.295  -6.164
    6PA   Ca607 4432  -6.653   0.172  -6.311
    6PA    O608 4433  -6.649   0.171  -6.434
    6PA   Ch609 4434  -6.663   0.040  -6.236
    6PA    H610 4435  -6.627  -0.036  -6.306
    6PA    H611 4436  -6.605   0.049  -6.144
    6PA   Ch612 4437  -6.801   0.017  -6.175
    6PA    H613 4438  -6.815   0.099  -6.104
    6PA    H614 4439  -6.790  -0.070  -6.111
    6PA   Ch615 4440  -6.920   0.011  -6.269
    6PA    H616 4441  -6.994   0.081  -6.229
    6PA    H617 4442  -6.897   0.048  -6.369
    6PA   Ch618 4443  -7.002  -0.117  -6.268
    6PA    H619 4444  -7.091  -0.104  -6.206
    6PA    H620 4445  -6.944  -0.203  -6.233
    6PA   Ca621 4446  -7.066  -0.158  -6.399
    6PA    O622 4447  -7.136  -0.259  -6.390
    6PA    N623 4448  -6.987  -0.146  -6.506
    6PA   Hn624 4449  -6.950  -0.053  -6.496
    6PA   Ch625 4450  -6.901  -0.255  -6.549
    6PA    H626 4451  -6.878  -0.323  -6.468
    6PA    H627 4452  -6.963  -0.308  -6.622
    6PA   Ch628 4453  -6.773  -0.222  -6.624
    6PA    H629 4454  -6.722  -0.136  -6.581
    6PA    H630 4455  -6.823  -0.173  -6.708
    6PA   Ch631 4456  -6.687  -0.345  -6.653
    6PA    H632 4457  -6.669  -0.394  -6.557
    6PA    H633 4458  -6.738  -0.395  -6.736
    6PA   Ch634 4459  -6.547  -0.303  -6.693
    6PA    H635 4460  -6.484  -0.392  -6.693
    6PA    H636 4461  -6.512  -0.240  -6.611
    6PA   Ch637 4462  -6.538  -0.221  -6.821
    6PA    H638 4463  -6.547  -0.273  -6.917
    6PA    H639 4464  -6.628  -0.162  -6.836
    6PA   Ch640 4465  -6.405  -0.146  -6.829
    6PA    H641 4466  -6.328  -0.221  -6.848
    6PA    H642 4467  -6.388  -0.106  -6.729
    6PA    N643 4468  -6.395  -0.050  -6.937
    6PA   Hn644 4469  -6.472  -0.030  -7.000
    6PA   Ca645 4470  -6.308   0.050  -6.954
    6PA    O646 4471  -6.188   0.026  -6.952
    6PA   Ch647 4472  -6.356   0.192  -6.982
    6PA    H648 4473  -6.292   0.243  -7.054
    6PA    H649 4474  -6.445   0.174  -7.043
    6PA   Ch650 4475  -6.384   0.283  -6.863
    6PA    H651 4476  -6.402   0.379  -6.912
    6PA    H652 4477  -6.309   0.328  -6.797
    6PA   Ch653 4478  -6.506   0.242  -6.782
    6PA    H654 4479  -6.563   0.181  -6.852
    6PA    H655 4480  -6.461   0.174  -6.710
    6PA   Ch656 4481  -6.573   0.364  -6.719
    6PA    H657 4482  -6.511   0.442  -6.676
    6PA    H658 4483  -6.580   0.339  -6.614
    6PA   Ca659 4484  -6.711   0.409  -6.765
    6PA    O660 4485  -6.722   0.522  -6.811
    6PA    N661 4486  -6.810   0.324  -6.735
    6PA   Hn662 4487  -6.758   0.244  -6.701
    6PA   Ch663 4488  -6.926   0.341  -6.651
    6PA    H664 4489  -6.900   0.379  -6.552
    6PA    H665 4490  -7.005   0.404  -6.692
    6PA   Ch666 4491  -6.990   0.210  -6.607
    6PA    H667 4492  -7.018   0.226  -6.503
    6PA    H668 4493  -6.930   0.118  -6.604
    6PA   Ch669 4494  -7.102   0.169  -6.702
    6PA    H670 4495  -7.131   0.088  -6.635
    6PA    H671 4496  -7.182   0.243  -6.692
    6PA   Ch672 4497  -7.092   0.117  -6.844
    6PA    H673 4498  -7.025   0.031  -6.835
    6PA    H674 4499  -7.067   0.190  -6.921
    6PA   Ch675 4500  -7.230   0.080  -6.898
    6PA    H676 4501  -7.253  -0.023  -6.868
    6PA    H677 4502  -7.312   0.147  -6.873
    6PA   Ch678 4503  -7.234   0.059  -7.048
    6PA    H679 4504  -7.182   0.138  -7.102
    6PA    H680 4505  -7.338   0.064  -7.081
    6PA    N681 4506  -7.183  -0.064  -7.106
    6PA   Hn682 4507  -7.162  -0.141  -7.044
    6PA   Ca683 4508  -7.101  -0.116  -7.197
    6PA    O684 4509  -7.088  -0.056  -7.303
    6PA   Ch685 4510  -6.981  -0.193  -7.144
    6PA    H686 4511  -6.889  -0.155  -7.189
    6PA    H687 4512  -6.983  -0.166  -7.038
    6PA   Ch688 4513  -6.951  -0.341  -7.163
    6PA    H689 4514  -6.888  -0.365  -7.248
    6PA    H690 4515  -7.051  -0.384  -7.156
    6PA   Ch691 4516  -6.896  -0.398  -7.032
    6PA    H692 4517  -6.797  -0.362  -7.002
    6PA    H693 4518  -6.936  -0.364  -6.937
    6PA   Ch694 4519  -6.892  -0.550  -7.029
    6PA    H695 4520  -6.817  -0.591  -6.961
    6PA    H696 4521  -6.880  -0.573  -7.135
    6PA   Ca697 4522  -7.008  -0.639  -6.989
    6PA    O698 4523  -7.083  -0.690  -7.072
    6PA    N699 4524  -7.069  -0.592  -6.880
    6PA   Hn700 4525  -7.095  -0.499  -6.912
    6PA   Ch701 4526  -7.016  -0.613  -6.747
    6PA    H702 4527  -7.018  -0.722  -6.737
    6PA    H703 4528  -6.914  -0.575  -6.732
    6PA   Ch704 4529  -7.102  -0.574  -6.627
    6PA    H705 4530  -7.195  -0.630  -6.622
    6PA    H706 4531  -7.111  -0.467  -6.646
    6PA   Ch707 4532  -7.032  -0.599  -6.495
    6PA    H708 4533  -6.951  -0.530  -6.519
    6PA    H709 4534  -7.105  -0.565  -6.422
    6PA   Ch710 4535  -6.975  -0.740  -6.489
    6PA    H711 4536  -6.887  -0.748  -6.552
    6PA    H712 4537  -7.058  -0.797  -6.532
    6PA   Ch713 4538  -6.930  -0.783  -6.350
    6PA    H714 4539  -6.905  -0.704  -6.278
    6PA    H715 4540  -7.023  -0.830  -6.318
    6PA   Ch716 4541  -6.831  -0.898  -6.350
    6PA    H717 4542  -6.827  -0.973  -6.430
    6PA    H718 4543  -6.877  -0.972  -6.285
    6PA    N719 4544  -6.696  -0.861  -6.312
    6PA   Hn720 4545  -6.672  -0.765  -6.336
    6PA   Ca721 4546  -6.591  -0.934  -6.273
    6PA    O722 4547  -6.608  -0.999  -6.170
    6PA   Ch723 4548  -6.482  -0.963  -6.376
    6PA    H724 4549  -6.534  -0.979  -6.470
    6PA    H725 4550  -6.419  -0.875  -6.382
    6PA   Ch726 4551  -6.420  -1.102  -6.381
    6PA    H727 4552  -6.456  -1.160  -6.467
    6PA    H728 4553  -6.428  -1.157  -6.287
    6PA   Ch729 4554  -6.270  -1.107  -6.404
    6PA    H730 4555  -6.229  -1.044  -6.325
    6PA    H731 4556  -6.237  -1.208  -6.375
    6PA   Ch732 4557  -6.221  -1.040  -6.531
    6PA    H733 4558  -6.217  -0.933  -6.513
    6PA    H734 4559  -6.305  -1.056  -6.598
    6PA   Ca735 4560  -6.096  -1.084  -6.607
    6PA    O736 4561  -6.028  -1.002  -6.667
    6PA    N737 4562  -6.022  -1.185  -6.561
    6PA   Hn738 4563  -6.087  -1.262  -6.558
    6PA   Ch739 4564  -5.920  -1.183  -6.459
    6PA    H740 4565  -5.846  -1.105  -6.478
    6PA    H741 4566  -5.976  -1.192  -6.366
    6PA   Ch742 4567  -5.846  -1.314  -6.484
    6PA    H743 4568  -5.810  -1.325  -6.586
    6PA    H744 4569  -5.911  -1.397  -6.455
    6PA   Ch745 4570  -5.721  -1.328  -6.397
    6PA    H746 4571  -5.657  -1.241  -6.394
    6PA    H747 4572  -5.783  -1.327  -6.307
    6PA   Ch748 4573  -5.638  -1.456  -6.393
    6PA    H749 4574  -5.558  -1.438  -6.320
    6PA    H750 4575  -5.596  -1.468  -6.493
    6PA   Ch751 4576  -5.721  -1.576  -6.349
    6PA    H752 4577  -5.739  -1.575  -6.242
    6PA    H753 4578  -5.822  -1.568  -6.392
    6PA   Ch754 4579  -5.653  -1.704  -6.396
    6PA    H755 4580  -5.565  -1.721  -6.334
    6PA    H756 4581  -5.635  -1.672  -6.499
    6PA    N757 4582  -5.744  -1.815  -6.379
    6PA   Hn758 4583  -5.843  -1.795  -6.373
    6PA   Ca759 4584  -5.717  -1.929  -6.314
    6PA    O760 4585  -5.686  -2.030  -6.377
    6PA   Ch761 4586  -5.771  -1.938  -6.172
    6PA    H762 4587  -5.690  -1.951  -6.100
    6PA    H763 4588  -5.805  -1.841  -6.136
    6PA    H764 4589  -4.426   9.300  -9.358
    6PA    H765 4590  -5.851  -2.013  -6.173
    7PA     Ch1 4591  12.908 -10.837   3.017
    7PA      H2 4592  12.971 -10.817   2.930
    7PA      H3 4593  12.913 -10.945   3.032
    7PA     Ch4 4594  12.772 -10.769   3.000
    7PA      H5 4595  12.731 -10.790   2.902
    7PA      H6 4596  12.784 -10.660   3.001
    7PA     Ch7 4597  12.654 -10.825   3.078
    7PA      H8 4598  12.572 -10.780   3.023
    7PA      H9 4599  12.646 -10.930   3.049
    7PA    Ch10 4600  12.655 -10.795   3.227
    7PA     H11 4601  12.690 -10.692   3.230
    7PA     H12 4602  12.732 -10.853   3.278
    7PA    Ca13 4603  12.535 -10.801   3.320
    7PA     O14 4604  12.509 -10.701   3.388
    7PA     N15 4605  12.442 -10.888   3.282
    7PA    Hn16 4606  12.451 -10.898   3.182
    7PA    Ch17 4607  12.442 -11.024   3.333
    7PA     H18 4608  12.535 -11.074   3.359
    7PA     H19 4609  12.390 -11.035   3.428
    7PA    Ch20 4610  12.387 -11.126   3.234
    7PA     H21 4611  12.446 -11.217   3.247
    7PA     H22 4612  12.420 -11.106   3.131
    7PA    Ch23 4613  12.236 -11.144   3.239
    7PA     H24 4614  12.226 -11.229   3.306
    7PA     H25 4615  12.164 -11.077   3.287
    7PA    Ch26 4616  12.167 -11.178   3.108
    7PA     H27 4617  12.063 -11.159   3.135
    7PA     H28 4618  12.176 -11.278   3.065
    7PA    Ch29 4619  12.205 -11.089   2.990
    7PA     H30 4620  12.210 -10.981   3.002
    7PA     H31 4621  12.309 -11.096   2.959
    7PA    Ch32 4622  12.124 -11.125   2.866
    7PA     H33 4623  12.081 -11.226   2.866
    7PA     H34 4624  12.185 -11.124   2.776
    7PA     N35 4625  12.025 -11.020   2.856
    7PA    Hn36 4626  11.996 -10.995   2.950
    7PA    Ca37 4627  11.909 -11.032   2.790
    7PA     O38 4628  11.893 -11.015   2.669
    7PA    Ch39 4629  11.784 -11.065   2.870
    7PA     H40 4630  11.778 -10.983   2.942
    7PA     H41 4631  11.692 -11.038   2.818
    7PA    Ch42 4632  11.787 -11.206   2.928
    7PA     H43 4633  11.854 -11.192   3.014
    7PA     H44 4634  11.842 -11.277   2.866
    7PA    Ch45 4635  11.642 -11.243   2.957
    7PA     H46 4636  11.663 -11.309   3.041
    7PA     H47 4637  11.588 -11.159   3.001
    7PA    Ch48 4638  11.575 -11.316   2.842
    7PA     H49 4639  11.636 -11.400   2.809
    7PA     H50 4640  11.564 -11.249   2.757
    7PA    Ca51 4641  11.432 -11.358   2.875
    7PA     O52 4642  11.404 -11.467   2.923
    7PA     N53 4643  11.330 -11.276   2.852
    7PA    Hn54 4644  11.333 -11.202   2.921
    7PA    Ch55 4645  11.246 -11.273   2.733
    7PA     H56 4646  11.312 -11.235   2.654
    7PA     H57 4647  11.233 -11.381   2.721
    7PA    Ch58 4648  11.124 -11.188   2.762
    7PA     H59 4649  11.179 -11.094   2.762
    7PA     H60 4650  11.082 -11.199   2.863
    7PA    Ch61 4651  11.037 -11.181   2.637
    7PA     H62 4652  11.087 -11.154   2.545
    7PA     H63 4653  11.008 -11.282   2.607
    7PA    Ch64 4654  10.918 -11.087   2.638
    7PA     H65 4655  10.961 -10.987   2.635
    7PA     H66 4656  10.877 -11.096   2.739
    7PA    Ch67 4657  10.829 -11.099   2.515
    7PA     H68 4658  10.804 -11.199   2.478
    7PA     H69 4659  10.725 -11.085   2.546
    7PA    Ch70 4660  10.869 -11.010   2.398
    7PA     H71 4661  10.965 -11.022   2.349
    7PA     H72 4662  10.855 -10.902   2.409
    7PA     N73 4663  10.790 -11.069   2.291
    7PA    Hn74 4664  10.705 -11.115   2.320
    7PA    Ca75 4665  10.744 -11.018   2.177
    7PA     O76 4666  10.827 -11.001   2.089
    7PA    Ch77 4667  10.619 -10.931   2.171
    7PA     H78 4668  10.545 -10.987   2.112
    7PA     H79 4669  10.599 -10.918   2.277
    7PA    Ch80 4670  10.613 -10.785   2.129
    7PA     H81 4671  10.674 -10.776   2.038
    7PA     H82 4672  10.662 -10.730   2.209
    7PA    Ch83 4673  10.474 -10.732   2.101
    7PA     H84 4674  10.408 -10.764   2.182
    7PA     H85 4675  10.484 -10.623   2.108
    7PA    Ch86 4676  10.406 -10.758   1.967
    7PA     H87 4677  10.410 -10.854   1.915
    7PA     H88 4678  10.456 -10.689   1.900
    7PA    Ca89 4679  10.261 -10.713   1.950
    7PA     O90 4680  10.206 -10.625   2.016
    7PA     N91 4681  10.185 -10.756   1.849
    7PA    Hn92 4682  10.255 -10.755   1.776
    7PA    Ch93 4683  10.086 -10.859   1.827
    7PA     H94 4684  10.005 -10.816   1.886
    7PA     H95 4685  10.048 -10.855   1.725
    7PA    Ch96 4686  10.155 -10.995   1.826
    7PA     H97 4687  10.234 -10.990   1.901
    7PA     H98 4688  10.221 -10.990   1.739
    7PA    Ch99 4689  10.071 -11.118   1.857
    7PA    H100 4690  10.114 -11.172   1.942
    7PA    H101 4691   9.968 -11.095   1.885
    7PA   Ch102 4692  10.045 -11.198   1.730
    7PA    H103 4693  10.015 -11.298   1.759
    7PA    H104 4694  10.151 -11.212   1.706
    7PA   Ch105 4695   9.961 -11.137   1.618
    7PA    H106 4696   9.891 -11.214   1.583
    7PA    H107 4697   9.910 -11.046   1.649
    7PA   Ch108 4698  10.040 -11.090   1.498
    7PA    H109 4699  10.091 -11.170   1.443
    7PA    H110 4700  10.117 -11.023   1.535
    7PA    N111 4701   9.955 -11.036   1.394
    7PA   Hn112 4702   9.857 -11.061   1.397
    7PA   Ca113 4703   9.964 -10.911   1.350
    7PA    O114 4704  10.035 -10.887   1.253
    7PA   Ch115 4705   9.841 -10.823   1.369
    7PA    H116 4706   9.807 -10.815   1.472
    7PA    H117 4707   9.860 -10.725   1.324
    7PA   Ch118 4708   9.718 -10.879   1.299
    7PA    H119 4709   9.632 -10.854   1.362
    7PA    H120 4710   9.716 -10.988   1.302
    7PA   Ch121 4711   9.674 -10.845   1.158
    7PA    H122 4712   9.575 -10.888   1.139
    7PA    H123 4713   9.655 -10.737   1.157
    7PA   Ch124 4714   9.761 -10.867   1.035
    7PA    H125 4715   9.866 -10.870   1.066
    7PA    H126 4716   9.754 -10.783   0.967
    7PA   Ca127 4717   9.735 -11.001   0.967
    7PA    O128 4718   9.624 -11.038   0.931
    7PA    N129 4719   9.841 -11.077   0.940
    7PA   Hn130 4720   9.904 -11.007   0.903
    7PA   Ch131 4721   9.880 -11.184   1.030
    7PA    H132 4722   9.878 -11.143   1.131
    7PA    H133 4723   9.796 -11.253   1.038
    7PA   Ch134 4724  10.009 -11.260   1.004
    7PA    H135 4725  10.088 -11.214   1.063
    7PA    H136 4726  10.034 -11.246   0.899
    7PA   Ch137 4727   9.993 -11.411   1.015
    7PA    H138 4728   9.922 -11.450   1.089
    7PA    H139 4729   9.979 -11.448   0.914
    7PA   Ch140 4730  10.116 -11.478   1.074
    7PA    H141 4731  10.123 -11.441   1.176
    7PA    H142 4732  10.203 -11.445   1.018
    7PA   Ch143 4733  10.119 -11.630   1.059
    7PA    H144 4734  10.026 -11.641   1.114
    7PA    H145 4735  10.127 -11.674   0.959
    7PA   Ch146 4736  10.236 -11.676   1.144
    7PA    H147 4737  10.218 -11.616   1.234
    7PA    H148 4738  10.329 -11.641   1.099
    7PA    N149 4739  10.235 -11.819   1.167
    7PA   Hn150 4740  10.139 -11.850   1.179
    7PA   Ca151 4741  10.299 -11.920   1.110
    7PA    O152 4742  10.417 -11.927   1.143
    7PA   Ch153 4743  10.227 -11.988   0.994
    7PA    H154 4744  10.159 -11.920   0.942
    7PA    H155 4745  10.292 -12.033   0.919
    7PA   Ch156 4746  10.146 -12.113   1.026
    7PA    H157 4747  10.172 -12.181   1.107
    7PA    H158 4748  10.164 -12.185   0.947
    7PA   Ch159 4749   9.994 -12.103   1.030
    7PA    H160 4750   9.967 -12.010   0.980
    7PA    H161 4751   9.951 -12.187   0.976
    7PA   Ch162 4752   9.923 -12.080   1.163
    7PA    H163 4753   9.990 -12.085   1.248
    7PA    H164 4754   9.855 -12.165   1.168
    7PA   Ca165 4755   9.864 -11.948   1.212
    7PA    O166 4756   9.938 -11.851   1.204
    7PA    N167 4757   9.763 -11.943   1.299
    7PA   Hn168 4758   9.775 -12.017   1.366
    7PA   Ch169 4759   9.625 -11.918   1.261
    7PA    H170 4760   9.605 -11.829   1.201
    7PA    H171 4761   9.576 -11.996   1.202
    7PA   Ch172 4762   9.536 -11.905   1.384
    7PA    H173 4763   9.587 -11.816   1.420
    7PA    H174 4764   9.540 -11.982   1.462
    7PA   Ch175 4765   9.397 -11.856   1.349
    7PA    H176 4766   9.413 -11.766   1.289
    7PA    H177 4767   9.351 -11.933   1.286
    7PA   Ch178 4768   9.319 -11.825   1.476
    7PA    H179 4769   9.337 -11.720   1.501
    7PA    H180 4770   9.339 -11.871   1.573
    7PA   Ch181 4771   9.170 -11.847   1.457
    7PA    H182 4772   9.136 -11.832   1.354
    7PA    H183 4773   9.150 -11.954   1.472
    7PA   Ch184 4774   9.077 -11.771   1.551
    7PA    H185 4775   9.085 -11.670   1.510
    7PA    H186 4776   9.131 -11.765   1.646
    7PA    N187 4777   8.939 -11.814   1.541
    7PA   Hn188 4778   8.909 -11.869   1.461
    7PA   Ca189 4779   8.844 -11.795   1.633
    7PA    O190 4780   8.820 -11.677   1.655
    7PA   Ch191 4781   8.778 -11.924   1.678
    7PA    H192 4782   8.852 -12.004   1.680
    7PA    H193 4783   8.785 -11.901   1.785
    7PA   Ch194 4784   8.639 -11.974   1.638
    7PA    H195 4785   8.636 -11.935   1.536
    7PA    H196 4786   8.588 -11.906   1.706
    7PA   Ch197 4787   8.633 -12.125   1.655
    7PA    H198 4788   8.704 -12.161   1.581
    7PA    H199 4789   8.665 -12.143   1.757
    7PA   Ch200 4790   8.490 -12.177   1.645
    7PA    H201 4791   8.442 -12.142   1.554
    7PA    H202 4792   8.445 -12.134   1.735
    7PA   Ca203 4793   8.473 -12.328   1.660
    7PA    O204 4794   8.458 -12.401   1.563
    7PA    N205 4795   8.487 -12.395   1.775
    7PA   Hn206 4796   8.584 -12.413   1.795
    7PA   Ch207 4797   8.372 -12.408   1.862
    7PA    H208 4798   8.298 -12.328   1.849
    7PA    H209 4799   8.311 -12.485   1.813
    7PA   Ch210 4800   8.393 -12.439   2.009
    7PA    H211 4801   8.470 -12.365   2.031
    7PA    H212 4802   8.458 -12.525   2.023
    7PA   Ch213 4803   8.267 -12.439   2.095
    7PA    H214 4804   8.226 -12.340   2.072
    7PA    H215 4805   8.193 -12.516   2.074
    7PA   Ch216 4806   8.286 -12.411   2.243
    7PA    H217 4807   8.189 -12.428   2.289
    7PA    H218 4808   8.317 -12.307   2.254
    7PA   Ch219 4809   8.408 -12.477   2.307
    7PA    H220 4810   8.409 -12.586   2.295
    7PA    H221 4811   8.496 -12.437   2.257
    7PA   Ch222 4812   8.403 -12.444   2.455
    7PA    H223 4813   8.305 -12.407   2.487
    7PA    H224 4814   8.455 -12.348   2.455
    7PA    N225 4815   8.481 -12.519   2.551
    7PA   Hn226 4816   8.578 -12.537   2.532
    7PA   Ca227 4817   8.439 -12.560   2.671
    7PA    O228 4818   8.433 -12.470   2.755
    7PA   Ch229 4819   8.452 -12.706   2.710
    7PA    H230 4820   8.549 -12.735   2.670
    7PA    H231 4821   8.451 -12.711   2.819
    7PA   Ch232 4822   8.337 -12.782   2.645
    7PA    H233 4823   8.387 -12.876   2.619
    7PA    H234 4824   8.322 -12.731   2.549
    7PA   Ch235 4825   8.222 -12.793   2.745
    7PA    H236 4826   8.183 -12.700   2.786
    7PA    H237 4827   8.134 -12.819   2.687
    7PA   Ch238 4828   8.263 -12.893   2.852
    7PA    H239 4829   8.334 -12.855   2.925
    7PA    H240 4830   8.313 -12.983   2.817
    7PA   Ca241 4831   8.148 -12.922   2.948
    7PA    O242 4832   8.123 -12.847   3.042
    7PA    N243 4833   8.044 -12.988   2.896
    7PA   Hn244 4834   8.084 -13.079   2.876
    7PA   Ch245 4835   7.920 -12.922   2.861
    7PA    H246 4836   7.882 -12.870   2.949
    7PA    H247 4837   7.926 -12.850   2.779
    7PA   Ch248 4838   7.830 -13.033   2.809
    7PA    H249 4839   7.732 -13.018   2.854
    7PA    H250 4840   7.834 -13.135   2.848
    7PA   Ch251 4841   7.822 -13.068   2.661
    7PA    H252 4842   7.821 -12.966   2.622
    7PA    H253 4843   7.921 -13.109   2.642
    7PA   Ch254 4844   7.697 -13.128   2.598
    7PA    H255 4845   7.622 -13.088   2.665
    7PA    H256 4846   7.711 -13.235   2.617
    7PA   Ch257 4847   7.672 -13.098   2.451
    7PA    H258 4848   7.635 -12.996   2.448
    7PA    H259 4849   7.756 -13.138   2.393
    7PA   Ch260 4850   7.547 -13.158   2.387
    7PA    H261 4851   7.455 -13.116   2.427
    7PA    H262 4852   7.554 -13.267   2.392
    7PA    N263 4853   7.565 -13.157   2.243
    7PA   Hn264 4854   7.636 -13.214   2.200
    7PA   Ca265 4855   7.489 -13.227   2.158
    7PA    O266 4856   7.398 -13.168   2.101
    7PA   Ch267 4857   7.499 -13.374   2.121
    7PA    H268 4858   7.472 -13.391   2.017
    7PA    H269 4859   7.606 -13.394   2.131
    7PA   Ch270 4860   7.409 -13.474   2.192
    7PA    H271 4861   7.336 -13.408   2.240
    7PA    H272 4862   7.464 -13.502   2.281
    7PA   Ch273 4863   7.344 -13.581   2.105
    7PA    H274 4864   7.249 -13.545   2.064
    7PA    H275 4865   7.422 -13.600   2.031
    7PA   Ch276 4866   7.327 -13.726   2.150
    7PA    H277 4867   7.429 -13.735   2.188
    7PA    H278 4868   7.326 -13.803   2.074
    7PA   Ca279 4869   7.244 -13.773   2.268
    7PA    O280 4870   7.283 -13.861   2.344
    7PA    N281 4871   7.117 -13.733   2.277
    7PA   Hn282 4872   7.114 -13.638   2.313
    7PA   Ch283 4873   7.001 -13.819   2.261
    7PA    H284 4874   7.025 -13.923   2.240
    7PA    H285 4875   6.955 -13.822   2.360
    7PA   Ch286 4876   6.893 -13.740   2.188
    7PA    H287 4877   6.927 -13.743   2.084
    7PA    H288 4878   6.884 -13.633   2.206
    7PA   Ch289 4879   6.748 -13.787   2.192
    7PA    H290 4880   6.691 -13.772   2.100
    7PA    H291 4881   6.745 -13.897   2.189
    7PA   Ch292 4882   6.670 -13.766   2.321
    7PA    H293 4883   6.705 -13.666   2.350
    7PA    H294 4884   6.712 -13.846   2.382
    7PA   Ch295 4885   6.520 -13.786   2.334
    7PA    H296 4886   6.508 -13.835   2.431
    7PA    H297 4887   6.478 -13.685   2.337
    7PA   Ch298 4888   6.466 -13.875   2.223
    7PA    H299 4889   6.525 -13.967   2.222
    7PA    H300 4890   6.454 -13.829   2.125
    7PA    N301 4891   6.332 -13.913   2.264
    7PA   Hn302 4892   6.254 -13.848   2.256
    7PA   Ca303 4893   6.293 -14.033   2.308
    7PA    O304 4894   6.260 -14.131   2.241
    7PA   Ch305 4895   6.228 -14.028   2.446
    7PA    H306 4896   6.178 -13.931   2.452
    7PA    H307 4897   6.139 -14.091   2.447
    7PA   Ch308 4898   6.312 -14.044   2.572
    7PA    H309 4899   6.251 -14.006   2.654
    7PA    H310 4900   6.405 -13.988   2.564
    7PA   Ch311 4901   6.340 -14.192   2.596
    7PA    H312 4902   6.255 -14.245   2.554
    7PA    H313 4903   6.418 -14.230   2.531
    7PA   Ch314 4904   6.363 -14.227   2.743
    7PA    H315 4905   6.286 -14.283   2.795
    7PA    H316 4906   6.395 -14.145   2.807
    7PA   Ca317 4907   6.488 -14.309   2.772
    7PA    O318 4908   6.597 -14.256   2.754
    7PA    N319 4909   6.486 -14.409   2.861
    7PA   Hn320 4910   6.452 -14.492   2.813
    7PA   Ch321 4911   6.539 -14.408   2.995
    7PA    H322 4912   6.641 -14.369   3.001
    7PA    H323 4913   6.469 -14.355   3.060
    7PA   Ch324 4914   6.526 -14.552   3.043
    7PA    H325 4915   6.628 -14.587   3.059
    7PA    H326 4916   6.503 -14.622   2.963
    7PA   Ch327 4917   6.463 -14.593   3.176
    7PA    H328 4918   6.483 -14.693   3.214
    7PA    H329 4919   6.486 -14.507   3.240
    7PA   Ch330 4920   6.312 -14.604   3.165
    7PA    H331 4921   6.308 -14.708   3.132
    7PA    H332 4922   6.277 -14.538   3.085
    7PA   Ch333 4923   6.230 -14.601   3.294
    7PA    H334 4924   6.263 -14.516   3.355
    7PA    H335 4925   6.133 -14.556   3.271
    7PA   Ch336 4926   6.201 -14.732   3.365
    7PA    H337 4927   6.298 -14.758   3.407
    7PA    H338 4928   6.161 -14.807   3.296
    7PA    N339 4929   6.116 -14.712   3.481
    7PA   Hn340 4930   6.058 -14.629   3.473
    7PA   Ca341 4931   6.066 -14.784   3.581
    7PA    O342 4932   5.999 -14.882   3.549
    7PA   Ch343 4933   6.102 -14.741   3.723
    7PA    H344 4934   6.042 -14.814   3.779
    7PA    H345 4935   6.210 -14.750   3.714
    7PA   Ch346 4936   6.069 -14.604   3.781
    7PA    H347 4937   5.965 -14.586   3.808
    7PA    H348 4938   6.087 -14.525   3.708
    7PA   Ch349 4939   6.141 -14.561   3.907
    7PA    H350 4940   6.242 -14.601   3.895
    7PA    H351 4941   6.156 -14.453   3.904
    7PA   Ch352 4942   6.097 -14.636   4.033
    7PA    H353 4943   6.036 -14.724   4.013
    7PA    H354 4944   6.033 -14.562   4.082
    7PA   Ca355 4945   6.189 -14.696   4.137
    7PA    O356 4946   6.305 -14.719   4.103
    7PA    N357 4947   6.129 -14.760   4.237
    7PA   Hn358 4948   6.065 -14.828   4.198
    7PA   Ch359 4949   6.126 -14.739   4.381
    7PA    H360 4950   6.212 -14.784   4.429
    7PA    H361 4951   6.120 -14.631   4.392
    7PA   Ch362 4952   5.986 -14.777   4.429
    7PA    H363 4953   5.954 -14.875   4.393
    7PA    H364 4954   5.920 -14.702   4.387
    7PA   Ch365 4955   5.977 -14.785   4.581
    7PA    H366 4956   6.044 -14.861   4.622
    7PA    H367 4957   6.009 -14.688   4.620
    7PA   Ch368 4958   5.840 -14.824   4.636
    7PA    H369 4959   5.812 -14.909   4.574
    7PA    H370 4960   5.796 -14.731   4.598
    7PA   Ch371 4961   5.824 -14.826   4.787
    7PA    H372 4962   5.914 -14.840   4.848
    7PA    H373 4963   5.795 -14.722   4.803
    7PA   Ch374 4964   5.734 -14.940   4.834
    7PA    H375 4965   5.794 -15.029   4.851
    7PA    H376 4966   5.665 -14.974   4.756
    7PA    N377 4967   5.638 -14.909   4.938
    7PA   Hn378 4968   5.658 -14.843   5.012
    7PA   Ca379 4969   5.599 -14.984   5.041
    7PA    O380 4970   5.535 -15.087   5.021
    7PA   Ch381 4971   5.680 -14.986   5.171
    7PA    H382 4972   5.730 -15.082   5.159
    7PA    H383 4973   5.753 -14.905   5.177
    7PA   Ch384 4974   5.592 -14.974   5.294
    7PA    H385 4975   5.522 -15.056   5.309
    7PA    H386 4976   5.551 -14.873   5.304
    7PA   Ch387 4977   5.680 -14.991   5.418
    7PA    H388 4978   5.715 -15.095   5.416
    7PA    H389 4979   5.768 -14.929   5.432
    7PA   Ch390 4980   5.608 -14.987   5.552
    7PA    H391 4981   5.539 -15.070   5.563
    7PA    H392 4982   5.528 -14.912   5.547
    7PA   Ca393 4983   5.679 -14.976   5.686
    7PA    O394 4984   5.653 -15.064   5.768
    7PA    N395 4985   5.758 -14.873   5.719
    7PA   Hn396 4986   5.691 -14.805   5.684
    7PA   Ch397 4987   5.901 -14.855   5.710
    7PA    H398 4988   5.942 -14.950   5.674
    7PA    H399 4989   5.909 -14.806   5.613
    7PA   Ch400 4990   5.964 -14.769   5.819
    7PA    H401 4991   5.918 -14.815   5.907
    7PA    H402 4992   5.938 -14.663   5.821
    7PA   Ch403 4993   6.113 -14.792   5.836
    7PA    H404 4994   6.107 -14.900   5.853
    7PA    H405 4995   6.168 -14.754   5.750
    7PA   Ch406 4996   6.162 -14.737   5.969
    7PA    H407 4997   6.117 -14.805   6.041
    7PA    H408 4998   6.115 -14.639   5.970
    7PA   Ch409 4999   6.314 -14.740   5.981
    7PA    H410 5000   6.331 -14.846   5.999
    7PA    H411 5001   6.371 -14.751   5.889
    7PA   Ch412 5002   6.381 -14.664   6.096
    7PA    H413 5003   6.373 -14.715   6.192
    7PA    H414 5004   6.327 -14.570   6.109
    7PA    N415 5005   6.524 -14.668   6.074
    7PA   Hn416 5006   6.573 -14.601   6.016
    7PA   Ca417 5007   6.614 -14.665   6.172
    7PA    O418 5008   6.677 -14.770   6.186
    7PA   Ch419 5009   6.662 -14.535   6.235
    7PA    H420 5010   6.669 -14.551   6.342
    7PA    H421 5011   6.763 -14.512   6.199
    7PA   Ch422 5012   6.591 -14.402   6.213
    7PA    H423 5013   6.487 -14.433   6.221
    7PA    H424 5014   6.593 -14.374   6.108
    7PA   Ch425 5015   6.586 -14.292   6.318
    7PA    H426 5016   6.566 -14.197   6.267
    7PA    H427 5017   6.508 -14.317   6.391
    7PA   Ch428 5018   6.709 -14.271   6.406
    7PA    H429 5019   6.759 -14.354   6.455
    7PA    H430 5020   6.663 -14.219   6.490
    7PA   Ca431 5021   6.819 -14.173   6.368
    7PA    O432 5022   6.896 -14.121   6.448
    7PA    N433 5023   6.851 -14.150   6.240
    7PA   Hn434 5024   6.830 -14.247   6.221
    7PA   Ch435 5025   6.822 -14.046   6.144
    7PA    H436 5026   6.716 -14.021   6.143
    7PA    H437 5027   6.864 -13.949   6.172
    7PA   Ch438 5028   6.894 -14.094   6.018
    7PA    H439 5029   6.849 -14.034   5.940
    7PA    H440 5030   6.866 -14.193   5.983
    7PA   Ch441 5031   7.044 -14.067   6.009
    7PA    H442 5032   7.060 -13.959   5.999
    7PA    H443 5033   7.076 -14.093   6.109
    7PA   Ch444 5034   7.109 -14.146   5.896
    7PA    H445 5035   7.204 -14.096   5.874
    7PA    H446 5036   7.047 -14.143   5.806
    7PA   Ch447 5037   7.146 -14.291   5.925
    7PA    H448 5038   7.156 -14.311   6.032
    7PA    H449 5039   7.051 -14.343   5.916
    7PA   Ch450 5040   7.241 -14.351   5.823
    7PA    H451 5041   7.241 -14.292   5.731
    7PA    H452 5042   7.211 -14.443   5.774
    7PA    N453 5043   7.380 -14.363   5.862
    7PA   Hn454 5044   7.449 -14.333   5.793
    7PA   Ca455 5045   7.429 -14.363   5.986
    7PA    O456 5046   7.399 -14.464   6.049
    7PA   Ch457 5047   7.501 -14.237   6.032
    7PA    H458 5048   7.441 -14.162   5.979
    7PA    H459 5049   7.493 -14.225   6.140
    7PA   Ch460 5050   7.638 -14.187   5.989
    7PA    H461 5051   7.692 -14.130   6.064
    7PA    H462 5052   7.605 -14.114   5.915
    7PA   Ch463 5053   7.737 -14.273   5.911
    7PA    H464 5054   7.681 -14.299   5.821
    7PA    H465 5055   7.818 -14.204   5.888
    7PA   Ch466 5056   7.798 -14.389   5.989
    7PA    H467 5057   7.730 -14.461   6.035
    7PA    H468 5058   7.845 -14.346   6.077
    7PA   Ca469 5059   7.906 -14.471   5.920
    7PA    O470 5060   7.892 -14.509   5.804
    7PA    N471 5061   8.012 -14.533   5.973
    7PA   Hn472 5062   8.032 -14.468   6.048
    7PA   Ch473 5063   8.035 -14.671   6.011
    7PA    H474 5064   7.937 -14.715   6.028
    7PA    H475 5065   8.090 -14.715   5.928
    7PA   Ch476 5066   8.136 -14.673   6.125
    7PA    H477 5067   8.086 -14.654   6.220
    7PA    H478 5068   8.219 -14.612   6.086
    7PA   Ch479 5069   8.188 -14.809   6.169
    7PA    H480 5070   8.098 -14.870   6.173
    7PA    H481 5071   8.252 -14.872   6.108
    7PA   Ch482 5072   8.273 -14.792   6.295
    7PA    H483 5073   8.278 -14.693   6.341
    7PA    H484 5074   8.365 -14.837   6.257
    7PA   Ch485 5075   8.224 -14.869   6.416
    7PA    H486 5076   8.161 -14.811   6.484
    7PA    H487 5077   8.191 -14.970   6.389
    7PA   Ch488 5078   8.329 -14.906   6.521
    7PA    H489 5079   8.343 -14.819   6.585
    7PA    H490 5080   8.419 -14.927   6.463
    7PA    N491 5081   8.302 -15.021   6.605
    7PA   Hn492 5082   8.261 -15.107   6.574
    7PA   Ca493 5083   8.242 -15.017   6.725
    7PA    O494 5084   8.307 -15.010   6.829
    7PA   Ch495 5085   8.095 -15.044   6.753
    7PA    H496 5086   8.073 -14.956   6.813
    7PA    H497 5087   8.039 -15.043   6.660
    7PA   Ch498 5088   8.063 -15.186   6.798
    7PA    H499 5089   8.121 -15.215   6.886
    7PA    H500 5090   8.088 -15.267   6.730
    7PA   Ch501 5091   7.914 -15.183   6.832
    7PA    H502 5092   7.897 -15.087   6.881
    7PA    H503 5093   7.866 -15.188   6.734
    7PA   Ch504 5094   7.862 -15.308   6.903
    7PA    H505 5095   7.895 -15.322   7.005
    7PA    H506 5096   7.932 -15.379   6.859
    7PA   Ca507 5097   7.721 -15.358   6.877
    7PA    O508 5098   7.713 -15.480   6.881
    7PA    N509 5099   7.620 -15.280   6.838
    7PA   Hn510 5100   7.658 -15.187   6.853
    7PA   Ch511 5101   7.529 -15.304   6.728
    7PA    H512 5102   7.597 -15.343   6.652
    7PA    H513 5103   7.449 -15.379   6.737
    7PA   Ch514 5104   7.473 -15.171   6.679
    7PA    H515 5105   7.418 -15.187   6.586
    7PA    H516 5106   7.552 -15.098   6.668
    7PA   Ch517 5107   7.378 -15.117   6.785
    7PA    H518 5108   7.281 -15.153   6.750
    7PA    H519 5109   7.387 -15.148   6.889
    7PA   Ch520 5110   7.369 -14.967   6.806
    7PA    H521 5111   7.315 -14.951   6.713
    7PA    H522 5112   7.459 -14.919   6.767
    7PA   Ch523 5113   7.328 -14.925   6.947
    7PA    H524 5114   7.355 -14.991   7.029
    7PA    H525 5115   7.355 -14.822   6.973
    7PA   Ch526 5116   7.176 -14.932   6.941
    7PA    H527 5117   7.162 -15.040   6.937
    7PA    H528 5118   7.125 -14.904   6.849
    7PA    N529 5119   7.111 -14.890   7.063
    7PA   Hn530 5120   7.172 -14.838   7.125
    7PA   Ca531 5121   6.979 -14.881   7.079
    7PA    O532 5122   6.903 -14.972   7.110
    7PA   Ch533 5123   6.928 -14.738   7.083
    7PA    H534 5124   6.915 -14.734   7.191
    7PA    H535 5125   7.008 -14.672   7.053
    7PA   Ch536 5126   6.808 -14.685   7.006
    7PA    H537 5127   6.724 -14.722   7.065
    7PA    H538 5128   6.795 -14.700   6.898
    7PA   Ch539 5129   6.762 -14.540   7.005
    7PA    H540 5130   6.654 -14.553   7.011
    7PA    H541 5131   6.772 -14.510   7.109
    7PA   Ch542 5132   6.819 -14.437   6.907
    7PA    H543 5133   6.765 -14.423   6.813
    7PA    H544 5134   6.916 -14.478   6.883
    7PA   Ca545 5135   6.836 -14.295   6.960
    7PA    O546 5136   6.910 -14.272   7.055
    7PA    N547 5137   6.821 -14.193   6.875
    7PA   Hn548 5138   6.764 -14.245   6.811
    7PA   Ch549 5139   6.902 -14.086   6.819
    7PA    H550 5140   7.000 -14.134   6.820
    7PA    H551 5141   6.881 -14.055   6.717
    7PA   Ch552 5142   6.884 -13.958   6.899
    7PA    H553 5143   6.915 -13.977   7.003
    7PA    H554 5144   6.778 -13.932   6.892
    7PA   Ch555 5145   6.994 -13.860   6.859
    7PA    H556 5146   7.016 -13.799   6.947
    7PA    H557 5147   7.092 -13.906   6.852
    7PA   Ch558 5148   6.982 -13.759   6.746
    7PA    H559 5149   7.015 -13.666   6.793
    7PA    H560 5150   6.879 -13.763   6.710
    7PA   Ch561 5151   7.067 -13.775   6.620
    7PA    H562 5152   7.166 -13.737   6.641
    7PA    H563 5153   7.075 -13.882   6.598
    7PA   Ch564 5154   7.019 -13.719   6.487
    7PA    H565 5155   7.093 -13.642   6.467
    7PA    H566 5156   6.925 -13.665   6.472
    7PA    N567 5157   7.040 -13.801   6.369
    7PA   Hn568 5158   7.014 -13.899   6.372
    7PA   Ca569 5159   7.110 -13.781   6.257
    7PA    O570 5160   7.071 -13.720   6.158
    7PA   Ch571 5161   7.232 -13.868   6.230
    7PA    H572 5162   7.209 -13.973   6.245
    7PA    H573 5163   7.261 -13.862   6.125
    7PA   Ch574 5164   7.355 -13.820   6.307
    7PA    H575 5165   7.401 -13.919   6.306
    7PA    H576 5166   7.337 -13.793   6.411
    7PA   Ch577 5167   7.459 -13.724   6.253
    7PA    H578 5168   7.532 -13.731   6.334
    7PA    H579 5169   7.506 -13.766   6.164
    7PA   Ch580 5170   7.428 -13.575   6.254
    7PA    H581 5171   7.515 -13.510   6.240
    7PA    H582 5172   7.370 -13.563   6.346
    7PA   Ca583 5173   7.360 -13.515   6.132
    7PA    O584 5174   7.418 -13.451   6.044
    7PA    N585 5175   7.237 -13.465   6.147
    7PA   Hn586 5176   7.198 -13.539   6.204
    7PA   Ch587 5177   7.180 -13.333   6.160
    7PA    H588 5178   7.232 -13.238   6.173
    7PA    H589 5179   7.108 -13.323   6.078
    7PA   Ch590 5180   7.103 -13.333   6.292
    7PA    H591 5181   7.133 -13.247   6.353
    7PA    H592 5182   7.116 -13.409   6.369
    7PA   Ch593 5183   6.952 -13.346   6.289
    7PA    H594 5184   6.921 -13.261   6.228
    7PA    H595 5185   6.934 -13.436   6.230
    7PA   Ch596 5186   6.864 -13.328   6.412
    7PA    H597 5187   6.908 -13.246   6.469
    7PA    H598 5188   6.886 -13.412   6.478
    7PA   Ch599 5189   6.716 -13.322   6.378
    7PA    H600 5190   6.707 -13.233   6.316
    7PA    H601 5191   6.686 -13.427   6.363
    7PA   Ch602 5192   6.650 -13.299   6.513
    7PA    H603 5193   6.683 -13.196   6.531
    7PA    H604 5194   6.670 -13.370   6.593
    7PA    N605 5195   6.510 -13.298   6.475
    7PA   Hn606 5196   6.459 -13.213   6.455
    7PA   Ca607 5197   6.413 -13.355   6.548
    7PA    O608 5198   6.370 -13.467   6.523
    7PA   Ch609 5199   6.330 -13.258   6.631
    7PA    H610 5200   6.404 -13.194   6.679
    7PA    H611 5201   6.308 -13.177   6.561
    7PA   Ch612 5202   6.203 -13.289   6.709
    7PA    H613 5203   6.228 -13.393   6.729
    7PA    H614 5204   6.115 -13.285   6.645
    7PA   Ch615 5205   6.175 -13.199   6.829
    7PA    H616 5206   6.244 -13.118   6.854
    7PA    H617 5207   6.085 -13.153   6.787
    7PA   Ch618 5208   6.153 -13.284   6.954
    7PA    H619 5209   6.058 -13.333   6.935
    7PA    H620 5210   6.127 -13.213   7.033
    7PA   Ca621 5211   6.271 -13.353   7.022
    7PA    O622 5212   6.356 -13.308   7.099
    7PA    N623 5213   6.271 -13.484   6.998
    7PA   Hn624 5214   6.232 -13.474   6.905
    7PA   Ch625 5215   6.203 -13.574   7.089
    7PA    H626 5216   6.290 -13.612   7.144
    7PA    H627 5217   6.120 -13.541   7.151
    7PA   Ch628 5218   6.150 -13.686   7.001
    7PA    H629 5219   6.185 -13.691   6.898
    7PA    H630 5220   6.041 -13.694   6.998
    7PA   Ch631 5221   6.197 -13.823   7.049
    7PA    H632 5222   6.152 -13.862   7.140
    7PA    H633 5223   6.132 -13.883   6.986
    7PA   Ch634 5224   6.338 -13.877   7.028
    7PA    H635 5225   6.399 -13.850   7.113
    7PA    H636 5226   6.390 -13.819   6.952
    7PA   Ch637 5227   6.358 -14.028   7.032
    7PA    H638 5228   6.365 -14.061   7.136
    7PA    H639 5229   6.265 -14.060   6.986
    7PA   Ch640 5230   6.490 -14.066   6.967
    7PA    H641 5231   6.504 -14.167   7.006
    7PA    H642 5232   6.581 -14.008   6.989
    7PA    N643 5233   6.476 -14.078   6.823
    7PA   Hn644 5234   6.440 -13.998   6.774
    7PA   Ca645 5235   6.481 -14.193   6.755
    7PA    O646 5236   6.577 -14.270   6.753
    7PA   Ch647 5237   6.360 -14.247   6.680
    7PA    H648 5238   6.312 -14.167   6.623
    7PA    H649 5239   6.416 -14.308   6.609
    7PA   Ch650 5240   6.265 -14.324   6.770
    7PA    H651 5241   6.164 -14.312   6.730
    7PA    H652 5242   6.251 -14.293   6.874
    7PA   Ch653 5243   6.299 -14.473   6.762
    7PA    H654 5244   6.396 -14.477   6.811
    7PA    H655 5245   6.224 -14.522   6.824
    7PA   Ch656 5246   6.297 -14.534   6.622
    7PA    H657 5247   6.378 -14.502   6.557
    7PA    H658 5248   6.202 -14.493   6.587
    7PA   Ca659 5249   6.316 -14.679   6.581
    7PA    O660 5250   6.227 -14.721   6.508
    7PA    N661 5251   6.387 -14.736   6.680
    7PA   Hn662 5252   6.462 -14.674   6.705
    7PA   Ch663 5253   6.327 -14.814   6.786
    7PA    H664 5254   6.233 -14.764   6.810
    7PA    H665 5255   6.298 -14.906   6.734
    7PA   Ch666 5256   6.424 -14.846   6.899
    7PA    H667 5257   6.413 -14.780   6.985
    7PA    H668 5258   6.509 -14.781   6.878
    7PA   Ch669 5259   6.464 -14.992   6.915
    7PA    H670 5260   6.373 -15.048   6.933
    7PA    H671 5261   6.495 -15.034   6.819
    7PA   Ch672 5262   6.574 -14.997   7.021
    7PA    H673 5263   6.529 -14.959   7.113
    7PA    H674 5264   6.666 -14.945   6.995
    7PA   Ch675 5265   6.610 -15.144   7.036
    7PA    H676 5266   6.643 -15.185   6.941
    7PA    H677 5267   6.711 -15.141   7.075
    7PA   Ch678 5268   6.527 -15.241   7.119
    7PA    H679 5269   6.549 -15.345   7.092
    7PA    H680 5270   6.421 -15.262   7.105
    7PA    N681 5271   6.556 -15.223   7.260
    7PA   Hn682 5272   6.599 -15.137   7.292
    7PA   Ca683 5273   6.485 -15.271   7.363
    7PA    O684 5274   6.520 -15.379   7.410
    7PA   Ch685 5275   6.413 -15.178   7.459
    7PA    H686 5276   6.357 -15.102   7.405
    7PA    H687 5277   6.342 -15.248   7.503
    7PA   Ch688 5278   6.495 -15.109   7.568
    7PA    H689 5279   6.522 -15.017   7.516
    7PA    H690 5280   6.592 -15.156   7.587
    7PA   Ch691 5281   6.416 -15.105   7.697
    7PA    H692 5282   6.358 -15.193   7.728
    7PA    H693 5283   6.496 -15.143   7.760
    7PA   Ch694 5284   6.380 -14.966   7.746
    7PA    H695 5285   6.470 -14.904   7.738
    7PA    H696 5286   6.336 -14.973   7.846
    7PA   Ca697 5287   6.277 -14.901   7.655
    7PA    O698 5288   6.313 -14.805   7.587
    7PA    N699 5289   6.151 -14.931   7.686
    7PA   Hn700 5290   6.151 -15.032   7.688
    7PA   Ch701 5291   6.056 -14.856   7.765
    7PA    H702 5292   6.064 -14.750   7.740
    7PA    H703 5293   5.952 -14.867   7.734
    7PA   Ch704 5294   6.058 -14.884   7.915
    7PA    H705 5295   6.060 -14.777   7.936
    7PA    H706 5296   6.148 -14.926   7.959
    7PA   Ch707 5297   5.937 -14.943   7.987
    7PA    H708 5298   5.860 -14.867   7.988
    7PA    H709 5299   5.882 -15.008   7.918
    7PA   Ch710 5300   5.960 -14.988   8.131
    7PA    H711 5301   5.960 -14.899   8.194
    7PA    H712 5302   6.050 -15.048   8.144
    7PA   Ch713 5303   5.849 -15.083   8.172
    7PA    H714 5304   5.760 -15.020   8.177
    7PA    H715 5305   5.843 -15.164   8.098
    7PA   Ch716 5306   5.840 -15.109   8.321
    7PA    H717 5307   5.795 -15.027   8.378
    7PA    H718 5308   5.936 -15.136   8.366
    7PA    N719 5309   5.745 -15.216   8.340
    7PA   Hn720 5310   5.659 -15.209   8.288
    7PA   Ca721 5311   5.783 -15.342   8.364
    7PA    O722 5312   5.798 -15.373   8.482
    7PA   Ch723 5313   5.746 -15.456   8.271
    7PA    H724 5314   5.640 -15.482   8.278
    7PA    H725 5315   5.744 -15.414   8.170
    7PA   Ch726 5316   5.828 -15.584   8.257
    7PA    H727 5317   5.923 -15.566   8.308
    7PA    H728 5318   5.859 -15.603   8.154
    7PA   Ch729 5319   5.766 -15.715   8.303
    7PA    H730 5320   5.725 -15.692   8.402
    7PA    H731 5321   5.670 -15.733   8.255
    7PA   Ch732 5322   5.869 -15.826   8.289
    7PA    H733 5323   5.907 -15.853   8.387
    7PA    H734 5324   5.954 -15.796   8.227
    7PA   Ca735 5325   5.827 -15.957   8.222
    7PA    O736 5326   5.892 -16.061   8.225
    7PA    N737 5327   5.703 -15.975   8.177
    7PA   Hn738 5328   5.690 -15.953   8.080
    7PA   Ch739 5329   5.601 -16.045   8.253
    7PA    H740 5330   5.653 -16.110   8.323
    7PA    H741 5331   5.541 -15.971   8.306
    7PA   Ch742 5332   5.505 -16.118   8.159
    7PA    H743 5333   5.492 -16.212   8.212
    7PA    H744 5334   5.576 -16.142   8.080
    7PA   Ch745 5335   5.386 -16.037   8.108
    7PA    H746 5336   5.334 -15.983   8.187
    7PA    H747 5337   5.431 -15.960   8.044
    7PA   Ch748 5338   5.286 -16.126   8.036
    7PA    H749 5339   5.339 -16.177   7.955
    7PA    H750 5340   5.209 -16.071   7.982
    7PA   Ch751 5341   5.212 -16.220   8.130
    7PA    H752 5342   5.277 -16.307   8.120
    7PA    H753 5343   5.198 -16.186   8.232
    7PA   Ch754 5344   5.079 -16.261   8.067
    7PA    H755 5345   5.092 -16.369   8.060
    7PA    H756 5346   5.067 -16.228   7.964
    7PA    N757 5347   4.974 -16.253   8.167
    7PA   Hn758 5348   4.976 -16.309   8.251
    7PA   Ca759 5349   4.844 -16.231   8.148
    7PA    O760 5350   4.797 -16.122   8.115
    7PA   Ch761 5351   4.742 -16.342   8.167
    7PA    H762 5352   4.768 -16.416   8.091
    7PA    H763 5353   4.731 -16.396   8.261
    7PA    H764 5354  12.960 -10.810   3.109
    7PA    H765 5355   4.637 -16.316   8.155
    8PA     Ch1 5356   2.828   9.395  -3.971
    8PA      H2 5357   2.925   9.367  -4.012
    8PA      H3 5358   2.865   9.441  -3.879
    8PA     Ch4 5359   2.777   9.264  -3.912
    8PA      H5 5360   2.669   9.267  -3.924
    8PA      H6 5361   2.818   9.232  -3.815
    8PA     Ch7 5362   2.829   9.143  -3.989
    8PA      H8 5363   2.803   9.182  -4.088
    8PA      H9 5364   2.934   9.124  -3.966
    8PA    Ch10 5365   2.752   9.019  -3.947
    8PA     H11 5366   2.767   9.010  -3.840
    8PA     H12 5367   2.797   8.932  -3.996
    8PA    Ca13 5368   2.608   9.007  -3.994
    8PA     O14 5369   2.520   9.010  -3.908
    8PA     N15 5370   2.593   8.930  -4.102
    8PA    Hn16 5371   2.615   8.986  -4.184
    8PA    Ch17 5372   2.537   8.798  -4.118
    8PA     H18 5373   2.542   8.746  -4.022
    8PA     H19 5374   2.428   8.798  -4.122
    8PA    Ch20 5375   2.588   8.744  -4.251
    8PA     H21 5376   2.696   8.745  -4.234
    8PA     H22 5377   2.552   8.817  -4.323
    8PA    Ch23 5378   2.534   8.602  -4.266
    8PA     H24 5379   2.555   8.541  -4.178
    8PA     H25 5380   2.429   8.578  -4.286
    8PA    Ch26 5381   2.595   8.512  -4.372
    8PA     H27 5382   2.694   8.535  -4.410
    8PA     H28 5383   2.534   8.517  -4.462
    8PA    Ch29 5384   2.570   8.364  -4.347
    8PA     H30 5385   2.634   8.340  -4.262
    8PA     H31 5386   2.467   8.339  -4.321
    8PA    Ch32 5387   2.617   8.269  -4.456
    8PA     H33 5388   2.721   8.302  -4.466
    8PA     H34 5389   2.563   8.286  -4.550
    8PA     N35 5390   2.596   8.132  -4.415
    8PA    Hn36 5391   2.504   8.112  -4.377
    8PA    Ca37 5392   2.695   8.061  -4.359
    8PA     O38 5393   2.801   8.047  -4.419
    8PA    Ch39 5394   2.687   8.025  -4.211
    8PA     H40 5395   2.584   8.044  -4.183
    8PA     H41 5396   2.708   7.918  -4.207
    8PA    Ch42 5397   2.745   8.113  -4.102
    8PA     H43 5398   2.686   8.203  -4.080
    8PA     H44 5399   2.845   8.153  -4.120
    8PA    Ch45 5400   2.765   8.045  -3.967
    8PA     H46 5401   2.790   8.131  -3.904
    8PA     H47 5402   2.677   7.989  -3.936
    8PA    Ch48 5403   2.894   7.963  -3.968
    8PA     H49 5404   2.969   8.028  -4.013
    8PA     H50 5405   2.876   7.892  -4.048
    8PA    Ca51 5406   2.925   7.882  -3.843
    8PA     O52 5407   2.859   7.779  -3.832
    8PA     N53 5408   2.923   7.945  -3.725
    8PA    Hn54 5409   2.833   7.992  -3.720
    8PA    Ch55 5410   3.033   7.982  -3.638
    8PA     H56 5411   3.121   7.918  -3.648
    8PA     H57 5412   3.056   8.086  -3.662
    8PA    Ch58 5413   2.987   7.970  -3.494
    8PA     H59 5414   3.044   7.882  -3.465
    8PA     H60 5415   2.883   7.939  -3.489
    8PA    Ch61 5416   2.993   8.088  -3.397
    8PA     H62 5417   3.091   8.131  -3.375
    8PA     H63 5418   2.973   8.172  -3.464
    8PA    Ch64 5419   2.889   8.105  -3.287
    8PA     H65 5420   2.807   8.041  -3.320
    8PA     H66 5421   2.853   8.207  -3.272
    8PA    Ch67 5422   2.917   8.015  -3.167
    8PA     H68 5423   2.924   7.909  -3.195
    8PA     H69 5424   3.017   8.035  -3.129
    8PA    Ch70 5425   2.827   8.035  -3.046
    8PA     H71 5426   2.723   8.062  -3.066
    8PA     H72 5427   2.876   8.119  -2.995
    8PA     N73 5428   2.827   7.917  -2.962
    8PA    Hn74 5429   2.857   7.839  -3.018
    8PA    Ca75 5430   2.865   7.915  -2.834
    8PA     O76 5431   2.783   7.920  -2.743
    8PA    Ch77 5432   3.017   7.909  -2.826
    8PA     H78 5433   3.077   7.931  -2.915
    8PA     H79 5434   3.046   8.002  -2.778
    8PA    Ch80 5435   3.062   7.781  -2.755
    8PA     H81 5436   2.990   7.700  -2.764
    8PA     H82 5437   3.045   7.802  -2.650
    8PA    Ch83 5438   3.201   7.741  -2.803
    8PA     H84 5439   3.174   7.700  -2.900
    8PA     H85 5440   3.265   7.828  -2.820
    8PA    Ch86 5441   3.268   7.636  -2.716
    8PA     H87 5442   3.324   7.573  -2.786
    8PA     H88 5443   3.212   7.548  -2.683
    8PA    Ca89 5444   3.377   7.701  -2.632
    8PA     O90 5445   3.487   7.726  -2.681
    8PA     N91 5446   3.358   7.671  -2.504
    8PA    Hn92 5447   3.323   7.576  -2.510
    8PA    Ch93 5448   3.310   7.770  -2.409
    8PA     H94 5449   3.234   7.835  -2.452
    8PA     H95 5450   3.257   7.716  -2.331
    8PA    Ch96 5451   3.423   7.856  -2.354
    8PA     H97 5452   3.370   7.951  -2.357
    8PA     H98 5453   3.522   7.839  -2.398
    8PA    Ch99 5454   3.437   7.840  -2.203
    8PA    H100 5455   3.343   7.859  -2.149
    8PA    H101 5456   3.462   7.745  -2.156
    8PA   Ch102 5457   3.541   7.942  -2.160
    8PA    H103 5458   3.501   8.040  -2.186
    8PA    H104 5459   3.632   7.960  -2.218
    8PA   Ch105 5460   3.573   7.953  -2.012
    8PA    H106 5461   3.537   8.050  -1.978
    8PA    H107 5462   3.496   7.899  -1.955
    8PA   Ch108 5463   3.716   7.913  -1.975
    8PA    H109 5464   3.784   7.978  -2.030
    8PA    H110 5465   3.723   7.806  -1.994
    8PA    N111 5466   3.750   7.946  -1.839
    8PA   Hn112 5467   3.683   7.911  -1.772
    8PA   Ca113 5468   3.769   8.066  -1.784
    8PA    O114 5469   3.841   8.144  -1.846
    8PA   Ch115 5470   3.672   8.113  -1.675
    8PA    H116 5471   3.680   8.215  -1.639
    8PA    H117 5472   3.579   8.116  -1.731
    8PA   Ch118 5473   3.624   8.036  -1.554
    8PA    H119 5474   3.699   8.048  -1.476
    8PA    H120 5475   3.623   7.934  -1.593
    8PA   Ch121 5476   3.498   8.070  -1.475
    8PA    H122 5477   3.491   7.992  -1.400
    8PA    H123 5478   3.518   8.143  -1.397
    8PA   Ch124 5479   3.373   8.113  -1.551
    8PA    H125 5480   3.286   8.063  -1.508
    8PA    H126 5481   3.368   8.069  -1.651
    8PA   Ca127 5482   3.361   8.264  -1.564
    8PA    O128 5483   3.424   8.318  -1.656
    8PA    N129 5484   3.252   8.326  -1.519
    8PA   Hn130 5485   3.168   8.272  -1.533
    8PA   Ch131 5486   3.252   8.420  -1.409
    8PA    H132 5487   3.351   8.424  -1.363
    8PA    H133 5488   3.252   8.524  -1.439
    8PA   Ch134 5489   3.136   8.408  -1.311
    8PA    H135 5490   3.164   8.431  -1.208
    8PA    H136 5491   3.120   8.300  -1.310
    8PA   Ch137 5492   3.006   8.488  -1.322
    8PA    H138 5493   2.971   8.483  -1.219
    8PA    H139 5494   3.032   8.591  -1.346
    8PA   Ch140 5495   2.903   8.425  -1.415
    8PA    H141 5496   2.897   8.320  -1.386
    8PA    H142 5497   2.911   8.445  -1.523
    8PA   Ch143 5498   2.766   8.477  -1.375
    8PA    H144 5499   2.753   8.462  -1.267
    8PA    H145 5500   2.756   8.585  -1.387
    8PA   Ch146 5501   2.657   8.412  -1.459
    8PA    H147 5502   2.678   8.305  -1.453
    8PA    H148 5503   2.660   8.425  -1.567
    8PA    N149 5504   2.523   8.442  -1.412
    8PA   Hn150 5505   2.507   8.407  -1.319
    8PA   Ca151 5506   2.417   8.451  -1.494
    8PA    O152 5507   2.396   8.539  -1.577
    8PA   Ch153 5508   2.330   8.327  -1.495
    8PA    H154 5509   2.288   8.307  -1.594
    8PA    H155 5510   2.384   8.234  -1.478
    8PA   Ch156 5511   2.213   8.340  -1.398
    8PA    H157 5512   2.145   8.282  -1.460
    8PA    H158 5513   2.155   8.433  -1.396
    8PA   Ch159 5514   2.238   8.300  -1.253
    8PA    H160 5515   2.284   8.203  -1.234
    8PA    H161 5516   2.321   8.370  -1.246
    8PA   Ch162 5517   2.120   8.311  -1.157
    8PA    H163 5518   2.075   8.212  -1.171
    8PA    H164 5519   2.043   8.378  -1.197
    8PA   Ca165 5520   2.169   8.321  -1.013
    8PA    O166 5521   2.192   8.216  -0.955
    8PA    N167 5522   2.166   8.435  -0.944
    8PA   Hn168 5523   2.212   8.505  -1.001
    8PA   Ch169 5524   2.074   8.485  -0.843
    8PA    H170 5525   1.979   8.506  -0.892
    8PA    H171 5526   2.064   8.423  -0.754
    8PA   Ch172 5527   2.133   8.620  -0.809
    8PA    H173 5528   2.135   8.691  -0.892
    8PA    H174 5529   2.240   8.607  -0.788
    8PA   Ch175 5530   2.058   8.686  -0.694
    8PA    H176 5531   1.955   8.666  -0.664
    8PA    H177 5532   2.087   8.599  -0.634
    8PA   Ch178 5533   2.126   8.809  -0.635
    8PA    H179 5534   2.129   8.880  -0.717
    8PA    H180 5535   2.225   8.786  -0.595
    8PA   Ch181 5536   2.063   8.879  -0.515
    8PA    H182 5537   1.958   8.893  -0.541
    8PA    H183 5538   2.040   8.792  -0.453
    8PA   Ch184 5539   2.101   9.017  -0.463
    8PA    H185 5540   2.192   9.049  -0.513
    8PA    H186 5541   2.143   9.003  -0.363
    8PA    N187 5542   1.997   9.117  -0.452
    8PA   Hn188 5543   1.898   9.102  -0.463
    8PA   Ca189 5544   2.017   9.217  -0.365
    8PA    O190 5545   2.102   9.305  -0.370
    8PA   Ch191 5546   1.930   9.195  -0.242
    8PA    H192 5547   1.888   9.094  -0.232
    8PA    H193 5548   1.999   9.186  -0.157
    8PA   Ch194 5549   1.812   9.284  -0.207
    8PA    H195 5550   1.770   9.315  -0.303
    8PA    H196 5551   1.856   9.355  -0.136
    8PA   Ch197 5552   1.701   9.218  -0.127
    8PA    H198 5553   1.648   9.155  -0.199
    8PA    H199 5554   1.725   9.156  -0.041
    8PA   Ch200 5555   1.584   9.301  -0.074
    8PA    H201 5556   1.488   9.258  -0.104
    8PA    H202 5557   1.578   9.403  -0.112
    8PA   Ca203 5558   1.577   9.328   0.075
    8PA    O204 5559   1.651   9.408   0.132
    8PA    N205 5560   1.473   9.273   0.139
    8PA   Hn206 5561   1.464   9.174   0.117
    8PA   Ch207 5562   1.388   9.345   0.231
    8PA    H208 5563   1.390   9.452   0.208
    8PA    H209 5564   1.288   9.303   0.218
    8PA   Ch210 5565   1.412   9.299   0.374
    8PA    H211 5566   1.491   9.373   0.390
    8PA    H212 5567   1.466   9.207   0.393
    8PA   Ch213 5568   1.301   9.331   0.473
    8PA    H214 5569   1.303   9.439   0.492
    8PA    H215 5570   1.203   9.312   0.428
    8PA   Ch216 5571   1.341   9.283   0.611
    8PA    H217 5572   1.402   9.348   0.673
    8PA    H218 5573   1.355   9.175   0.601
    8PA   Ch219 5574   1.221   9.300   0.703
    8PA    H220 5575   1.193   9.405   0.696
    8PA    H221 5576   1.125   9.278   0.657
    8PA   Ch222 5577   1.218   9.251   0.847
    8PA    H223 5578   1.319   9.241   0.887
    8PA    H224 5579   1.190   9.146   0.834
    8PA    N225 5580   1.125   9.331   0.924
    8PA   Hn226 5581   1.152   9.428   0.930
    8PA   Ca227 5582   1.022   9.302   1.005
    8PA    O228 5583   0.935   9.221   0.974
    8PA   Ch229 5584   1.039   9.340   1.151
    8PA    H230 5585   1.103   9.427   1.161
    8PA    H231 5586   0.943   9.382   1.180
    8PA   Ch232 5587   1.093   9.224   1.234
    8PA    H233 5588   1.196   9.256   1.242
    8PA    H234 5589   1.093   9.127   1.183
    8PA   Ch235 5590   1.023   9.213   1.369
    8PA    H236 5591   1.060   9.297   1.428
    8PA    H237 5592   0.918   9.243   1.375
    8PA   Ch238 5593   1.050   9.077   1.432
    8PA    H239 5594   1.052   8.997   1.358
    8PA    H240 5595   0.944   9.074   1.458
    8PA   Ca241 5596   1.146   9.035   1.543
    8PA    O242 5597   1.225   9.119   1.586
    8PA    N243 5598   1.128   8.909   1.581
    8PA   Hn244 5599   1.029   8.888   1.574
    8PA   Ch245 5600   1.211   8.790   1.588
    8PA    H246 5601   1.309   8.820   1.550
    8PA    H247 5602   1.210   8.766   1.695
    8PA   Ch248 5603   1.149   8.665   1.528
    8PA    H249 5604   1.043   8.652   1.553
    8PA    H250 5605   1.199   8.579   1.572
    8PA   Ch251 5606   1.154   8.664   1.376
    8PA    H252 5607   1.099   8.756   1.354
    8PA    H253 5608   1.256   8.658   1.338
    8PA   Ch254 5609   1.090   8.535   1.325
    8PA    H255 5610   0.988   8.522   1.362
    8PA    H256 5611   1.160   8.457   1.354
    8PA   Ch257 5612   1.068   8.543   1.175
    8PA    H258 5613   1.012   8.633   1.149
    8PA    H259 5614   1.155   8.553   1.110
    8PA   Ch260 5615   1.012   8.413   1.119
    8PA    H261 5616   0.933   8.364   1.176
    8PA    H262 5617   1.069   8.321   1.129
    8PA    N263 5618   0.960   8.424   0.984
    8PA   Hn264 5619   0.909   8.511   0.976
    8PA   Ca265 5620   0.988   8.362   0.869
    8PA    O266 5621   0.973   8.242   0.845
    8PA   Ch267 5622   1.086   8.444   0.787
    8PA    H268 5623   1.152   8.513   0.841
    8PA    H269 5624   1.153   8.370   0.743
    8PA   Ch270 5625   1.023   8.505   0.662
    8PA    H271 5626   0.942   8.570   0.695
    8PA    H272 5627   0.980   8.443   0.584
    8PA   Ch273 5628   1.136   8.565   0.579
    8PA    H274 5629   1.219   8.594   0.644
    8PA    H275 5630   1.184   8.489   0.517
    8PA   Ch276 5631   1.080   8.689   0.512
    8PA    H277 5632   1.079   8.778   0.576
    8PA    H278 5633   0.977   8.678   0.476
    8PA   Ca279 5634   1.150   8.728   0.383
    8PA    O280 5635   1.153   8.651   0.288
    8PA    N281 5636   1.218   8.843   0.382
    8PA   Hn282 5637   1.312   8.826   0.414
    8PA   Ch283 5638   1.186   8.979   0.341
    8PA    H284 5639   1.218   9.042   0.423
    8PA    H285 5640   1.259   9.004   0.264
    8PA   Ch286 5641   1.039   9.010   0.313
    8PA    H287 5642   0.986   9.055   0.397
    8PA    H288 5643   0.975   8.928   0.281
    8PA   Ch289 5644   1.013   9.118   0.208
    8PA    H290 5645   0.912   9.159   0.207
    8PA    H291 5646   1.084   9.195   0.238
    8PA   Ch292 5647   1.035   9.069   0.065
    8PA    H293 5648   0.989   8.971   0.057
    8PA    H294 5649   1.132   9.026   0.044
    8PA   Ch295 5650   0.967   9.131  -0.056
    8PA    H296 5651   0.868   9.132  -0.008
    8PA    H297 5652   1.016   9.228  -0.058
    8PA   Ch298 5653   0.961   9.047  -0.182
    8PA    H299 5654   0.946   8.942  -0.155
    8PA    H300 5655   1.049   9.074  -0.241
    8PA    N301 5656   0.852   9.090  -0.267
    8PA   Hn302 5657   0.770   9.125  -0.218
    8PA   Ca303 5658   0.810   9.069  -0.392
    8PA    O304 5659   0.863   9.111  -0.495
    8PA   Ch305 5660   0.704   8.960  -0.400
    8PA    H306 5661   0.614   8.985  -0.344
    8PA    H307 5662   0.664   8.965  -0.501
    8PA   Ch308 5663   0.736   8.812  -0.380
    8PA    H309 5664   0.828   8.828  -0.324
    8PA    H310 5665   0.765   8.775  -0.479
    8PA   Ch311 5666   0.641   8.719  -0.307
    8PA    H312 5667   0.648   8.730  -0.199
    8PA    H313 5668   0.538   8.748  -0.330
    8PA   Ch314 5669   0.657   8.570  -0.334
    8PA    H315 5670   0.745   8.545  -0.275
    8PA    H316 5671   0.680   8.554  -0.439
    8PA   Ca317 5672   0.547   8.473  -0.293
    8PA    O318 5673   0.471   8.432  -0.381
    8PA    N319 5674   0.506   8.476  -0.166
    8PA   Hn320 5675   0.579   8.429  -0.114
    8PA   Ch321 5676   0.384   8.527  -0.106
    8PA    H322 5677   0.405   8.628  -0.071
    8PA    H323 5678   0.318   8.563  -0.185
    8PA   Ch324 5679   0.297   8.421  -0.041
    8PA    H325 5680   0.356   8.330  -0.032
    8PA    H326 5681   0.214   8.409  -0.112
    8PA   Ch327 5682   0.258   8.472   0.096
    8PA    H328 5683   0.352   8.493   0.149
    8PA    H329 5684   0.200   8.565   0.092
    8PA   Ch330 5685   0.178   8.368   0.172
    8PA    H331 5686   0.238   8.279   0.151
    8PA    H332 5687   0.090   8.358   0.106
    8PA   Ch333 5688   0.152   8.399   0.318
    8PA    H334 5689   0.246   8.438   0.358
    8PA    H335 5690   0.079   8.479   0.337
    8PA   Ch336 5691   0.116   8.276   0.399
    8PA    H337 5692   0.210   8.258   0.451
    8PA    H338 5693   0.103   8.189   0.333
    8PA    N339 5694   0.005   8.297   0.490
    8PA   Hn340 5695  -0.068   8.342   0.435
    8PA   Ca341 5696  -0.077   8.216   0.557
    8PA    O342 5697  -0.088   8.248   0.675
    8PA   Ch343 5698  -0.201   8.158   0.490
    8PA    H344 5699  -0.277   8.234   0.508
    8PA    H345 5700  -0.185   8.145   0.383
    8PA   Ch346 5701  -0.234   8.018   0.542
    8PA    H347 5702  -0.246   8.018   0.650
    8PA    H348 5703  -0.152   7.947   0.532
    8PA   Ch349 5704  -0.356   7.954   0.476
    8PA    H350 5705  -0.447   7.976   0.532
    8PA    H351 5706  -0.359   7.993   0.374
    8PA   Ch352 5707  -0.337   7.803   0.473
    8PA    H353 5708  -0.327   7.763   0.574
    8PA    H354 5709  -0.256   7.780   0.404
    8PA   Ca355 5710  -0.449   7.740   0.391
    8PA    O356 5711  -0.434   7.729   0.270
    8PA    N357 5712  -0.547   7.667   0.445
    8PA   Hn358 5713  -0.574   7.740   0.510
    8PA   Ch359 5714  -0.582   7.527   0.446
    8PA    H360 5715  -0.559   7.492   0.345
    8PA    H361 5716  -0.505   7.471   0.498
    8PA   Ch362 5717  -0.731   7.494   0.457
    8PA    H363 5718  -0.756   7.397   0.413
    8PA    H364 5719  -0.784   7.578   0.413
    8PA   Ch365 5720  -0.753   7.486   0.607
    8PA    H366 5721  -0.691   7.404   0.642
    8PA    H367 5722  -0.738   7.585   0.650
    8PA   Ch368 5723  -0.883   7.421   0.653
    8PA    H369 5724  -0.866   7.314   0.668
    8PA    H370 5725  -0.951   7.433   0.569
    8PA   Ch371 5726  -0.937   7.463   0.789
    8PA    H372 5727  -0.898   7.394   0.865
    8PA    H373 5728  -0.902   7.557   0.832
    8PA   Ch374 5729  -1.084   7.429   0.811
    8PA    H375 5730  -1.133   7.333   0.789
    8PA    H376 5731  -1.140   7.503   0.755
    8PA    N377 5732  -1.120   7.478   0.942
    8PA   Hn378 5733  -1.068   7.549   0.992
    8PA   Ca379 5734  -1.215   7.437   1.026
    8PA    O380 5735  -1.332   7.427   0.992
    8PA   Ch381 5736  -1.153   7.351   1.135
    8PA    H382 5737  -1.237   7.284   1.155
    8PA    H383 5738  -1.061   7.292   1.124
    8PA   Ch384 5739  -1.118   7.436   1.256
    8PA    H385 5740  -1.215   7.481   1.275
    8PA    H386 5741  -1.048   7.518   1.239
    8PA   Ch387 5742  -1.065   7.364   1.380
    8PA    H388 5743  -1.123   7.274   1.398
    8PA    H389 5744  -0.963   7.328   1.366
    8PA   Ch390 5745  -1.066   7.447   1.508
    8PA    H391 5746  -1.170   7.478   1.520
    8PA    H392 5747  -1.023   7.546   1.489
    8PA   Ca393 5748  -1.002   7.390   1.633
    8PA    O394 5749  -0.883   7.421   1.631
    8PA    N395 5750  -1.064   7.280   1.677
    8PA   Hn396 5751  -1.088   7.223   1.598
    8PA   Ch397 5752  -1.144   7.282   1.798
    8PA    H398 5753  -1.083   7.327   1.876
    8PA    H399 5754  -1.232   7.346   1.796
    8PA   Ch400 5755  -1.196   7.144   1.838
    8PA    H401 5756  -1.102   7.089   1.842
    8PA    H402 5757  -1.256   7.101   1.757
    8PA   Ch403 5758  -1.281   7.130   1.963
    8PA    H404 5759  -1.302   7.027   1.991
    8PA    H405 5760  -1.219   7.169   2.045
    8PA   Ch406 5761  -1.415   7.203   1.957
    8PA    H407 5762  -1.486   7.120   1.963
    8PA    H408 5763  -1.433   7.232   1.854
    8PA   Ch409 5764  -1.438   7.307   2.066
    8PA    H410 5765  -1.417   7.260   2.163
    8PA    H411 5766  -1.371   7.390   2.047
    8PA   Ch412 5767  -1.587   7.334   2.081
    8PA    H413 5768  -1.644   7.242   2.098
    8PA    H414 5769  -1.603   7.383   1.985
    8PA    N415 5770  -1.612   7.437   2.181
    8PA   Hn416 5771  -1.535   7.464   2.239
    8PA   Ca417 5772  -1.697   7.539   2.170
    8PA    O418 5773  -1.803   7.512   2.224
    8PA   Ch419 5774  -1.668   7.682   2.124
    8PA    H420 5775  -1.580   7.697   2.062
    8PA    H421 5776  -1.748   7.709   2.055
    8PA   Ch422 5777  -1.667   7.787   2.235
    8PA    H423 5778  -1.569   7.786   2.283
    8PA    H424 5779  -1.745   7.758   2.304
    8PA   Ch425 5780  -1.674   7.935   2.202
    8PA    H426 5781  -1.588   7.949   2.136
    8PA    H427 5782  -1.772   7.948   2.154
    8PA   Ch428 5783  -1.658   8.031   2.319
    8PA    H429 5784  -1.551   8.031   2.340
    8PA    H430 5785  -1.710   7.985   2.404
    8PA   Ca431 5786  -1.733   8.163   2.305
    8PA    O432 5787  -1.854   8.173   2.286
    8PA    N433 5788  -1.656   8.271   2.295
    8PA   Hn434 5789  -1.566   8.247   2.254
    8PA   Ch435 5790  -1.667   8.368   2.401
    8PA    H436 5791  -1.773   8.386   2.424
    8PA    H437 5792  -1.608   8.344   2.490
    8PA   Ch438 5793  -1.611   8.501   2.354
    8PA    H439 5794  -1.515   8.490   2.303
    8PA    H440 5795  -1.587   8.557   2.445
    8PA   Ch441 5796  -1.718   8.585   2.286
    8PA    H442 5797  -1.752   8.536   2.194
    8PA    H443 5798  -1.806   8.585   2.351
    8PA   Ch444 5799  -1.677   8.725   2.244
    8PA    H445 5800  -1.602   8.716   2.166
    8PA    H446 5801  -1.598   8.777   2.298
    8PA   Ch447 5802  -1.790   8.814   2.195
    8PA    H448 5803  -1.739   8.874   2.119
    8PA    H449 5804  -1.874   8.757   2.155
    8PA   Ch450 5805  -1.845   8.896   2.310
    8PA    H451 5806  -1.866   8.824   2.389
    8PA    H452 5807  -1.943   8.937   2.284
    8PA    N453 5808  -1.761   9.006   2.356
    8PA   Hn454 5809  -1.782   9.045   2.447
    8PA   Ca455 5810  -1.755   9.127   2.301
    8PA    O456 5811  -1.676   9.149   2.209
    8PA   Ch457 5812  -1.839   9.231   2.373
    8PA    H458 5813  -1.778   9.271   2.454
    8PA    H459 5814  -1.877   9.304   2.301
    8PA   Ch460 5815  -1.980   9.200   2.424
    8PA    H461 5816  -1.971   9.098   2.462
    8PA    H462 5817  -2.041   9.181   2.336
    8PA   Ch463 5818  -2.036   9.302   2.521
    8PA    H464 5819  -1.998   9.260   2.614
    8PA    H465 5820  -1.991   9.402   2.513
    8PA   Ch466 5821  -2.188   9.314   2.525
    8PA    H467 5822  -2.228   9.218   2.556
    8PA    H468 5823  -2.205   9.326   2.418
    8PA   Ca469 5824  -2.268   9.419   2.600
    8PA    O470 5825  -2.288   9.528   2.547
    8PA    N471 5826  -2.279   9.419   2.733
    8PA   Hn472 5827  -2.304   9.330   2.774
    8PA   Ch473 5828  -2.231   9.514   2.831
    8PA    H474 5829  -2.129   9.483   2.853
    8PA    H475 5830  -2.216   9.615   2.792
    8PA   Ch476 5831  -2.327   9.525   2.948
    8PA    H477 5832  -2.310   9.438   3.012
    8PA    H478 5833  -2.429   9.525   2.908
    8PA   Ch479 5834  -2.340   9.659   3.020
    8PA    H480 5835  -2.415   9.635   3.095
    8PA    H481 5836  -2.247   9.673   3.076
    8PA   Ch482 5837  -2.375   9.792   2.957
    8PA    H483 5838  -2.483   9.806   2.962
    8PA    H484 5839  -2.383   9.803   2.848
    8PA   Ch485 5840  -2.317   9.921   3.013
    8PA    H486 5841  -2.369   9.934   3.108
    8PA    H487 5842  -2.212   9.894   3.014
    8PA   Ch488 5843  -2.363  10.046   2.938
    8PA    H489 5844  -2.460  10.073   2.980
    8PA    H490 5845  -2.333  10.039   2.834
    8PA    N491 5846  -2.277  10.152   2.988
    8PA   Hn492 5847  -2.212  10.128   3.061
    8PA   Ca493 5848  -2.251  10.282   2.968
    8PA    O494 5849  -2.248  10.328   2.855
    8PA   Ch495 5850  -2.323  10.367   3.072
    8PA    H496 5851  -2.358  10.454   3.015
    8PA    H497 5852  -2.396  10.312   3.132
    8PA   Ch498 5853  -2.230  10.422   3.179
    8PA    H499 5854  -2.166  10.480   3.112
    8PA    H500 5855  -2.174  10.334   3.211
    8PA   Ch501 5856  -2.294  10.491   3.298
    8PA    H502 5857  -2.373  10.562   3.273
    8PA    H503 5858  -2.351  10.416   3.354
    8PA   Ch504 5859  -2.203  10.537   3.411
    8PA    H505 5860  -2.149  10.626   3.378
    8PA    H506 5861  -2.141  10.456   3.449
    8PA   Ca507 5862  -2.274  10.589   3.536
    8PA    O508 5863  -2.383  10.646   3.529
    8PA    N509 5864  -2.210  10.580   3.652
    8PA   Hn510 5865  -2.115  10.608   3.632
    8PA   Ch511 5866  -2.246  10.520   3.779
    8PA    H512 5867  -2.326  10.570   3.835
    8PA    H513 5868  -2.309  10.431   3.776
    8PA   Ch514 5869  -2.117  10.516   3.859
    8PA    H515 5870  -2.069  10.613   3.872
    8PA    H516 5871  -2.043  10.462   3.800
    8PA   Ch517 5872  -2.143  10.449   3.993
    8PA    H518 5873  -2.216  10.497   4.059
    8PA    H519 5874  -2.187  10.353   3.964
    8PA   Ch520 5875  -2.019  10.445   4.082
    8PA    H521 5876  -1.952  10.402   4.008
    8PA    H522 5877  -2.031  10.372   4.162
    8PA   Ch523 5878  -1.990  10.575   4.155
    8PA    H524 5879  -2.023  10.660   4.095
    8PA    H525 5880  -2.048  10.573   4.248
    8PA   Ch526 5881  -1.844  10.591   4.193
    8PA    H527 5882  -1.772  10.545   4.125
    8PA    H528 5883  -1.832  10.533   4.285
    8PA    N529 5884  -1.815  10.730   4.223
    8PA   Hn530 5885  -1.884  10.799   4.249
    8PA   Ca531 5886  -1.714  10.776   4.297
    8PA    O532 5887  -1.612  10.816   4.240
    8PA   Ch533 5888  -1.757  10.852   4.421
    8PA    H534 5889  -1.669  10.891   4.471
    8PA    H535 5890  -1.812  10.933   4.374
    8PA   Ch536 5891  -1.855  10.787   4.518
    8PA    H537 5892  -1.821  10.760   4.618
    8PA    H538 5893  -1.884  10.688   4.481
    8PA   Ch539 5894  -1.967  10.877   4.569
    8PA    H540 5895  -2.043  10.902   4.495
    8PA    H541 5896  -2.033  10.811   4.626
    8PA   Ch542 5897  -1.927  10.995   4.658
    8PA    H543 5898  -1.842  11.052   4.623
    8PA    H544 5899  -1.878  10.968   4.751
    8PA   Ca545 5900  -2.036  11.093   4.699
    8PA    O546 5901  -2.103  11.073   4.800
    8PA    N547 5902  -2.031  11.208   4.631
    8PA   Hn548 5903  -2.025  11.188   4.532
    8PA   Ch549 5904  -1.968  11.328   4.683
    8PA    H550 5905  -2.027  11.413   4.649
    8PA    H551 5906  -1.977  11.344   4.790
    8PA   Ch552 5907  -1.821  11.348   4.648
    8PA    H553 5908  -1.813  11.455   4.623
    8PA    H554 5909  -1.801  11.293   4.556
    8PA   Ch555 5910  -1.731  11.296   4.759
    8PA    H556 5911  -1.780  11.234   4.835
    8PA    H557 5912  -1.667  11.228   4.703
    8PA   Ch558 5913  -1.651  11.397   4.840
    8PA    H559 5914  -1.640  11.481   4.771
    8PA    H560 5915  -1.556  11.347   4.857
    8PA   Ch561 5916  -1.711  11.444   4.972
    8PA    H562 5917  -1.767  11.535   4.948
    8PA    H563 5918  -1.784  11.365   4.988
    8PA   Ch564 5919  -1.628  11.462   5.098
    8PA    H565 5920  -1.537  11.406   5.075
    8PA    H566 5921  -1.673  11.429   5.192
    8PA    N567 5922  -1.590  11.600   5.117
    8PA   Hn568 5923  -1.649  11.675   5.084
    8PA   Ca569 5924  -1.528  11.659   5.220
    8PA    O570 5925  -1.411  11.696   5.219
    8PA   Ch571 5926  -1.625  11.748   5.296
    8PA    H572 5927  -1.717  11.697   5.321
    8PA    H573 5928  -1.586  11.759   5.398
    8PA   Ch574 5929  -1.671  11.885   5.247
    8PA    H575 5930  -1.727  11.935   5.326
    8PA    H576 5931  -1.732  11.885   5.157
    8PA   Ch577 5932  -1.582  11.998   5.197
    8PA    H578 5933  -1.534  11.943   5.116
    8PA    H579 5934  -1.644  12.070   5.143
    8PA   Ch580 5935  -1.486  12.061   5.296
    8PA    H581 5936  -1.392  12.080   5.244
    8PA    H582 5937  -1.465  11.983   5.369
    8PA   Ca583 5938  -1.527  12.198   5.350
    8PA    O584 5939  -1.508  12.298   5.281
    8PA    N585 5940  -1.554  12.208   5.480
    8PA   Hn586 5941  -1.600  12.119   5.492
    8PA   Ch587 5942  -1.487  12.272   5.592
    8PA    H588 5943  -1.499  12.201   5.673
    8PA    H589 5944  -1.389  12.274   5.545
    8PA   Ch590 5945  -1.564  12.403   5.609
    8PA    H591 5946  -1.672  12.394   5.594
    8PA    H592 5947  -1.540  12.474   5.530
    8PA   Ch593 5948  -1.520  12.462   5.742
    8PA    H594 5949  -1.493  12.385   5.815
    8PA    H595 5950  -1.425  12.511   5.721
    8PA   Ch596 5951  -1.596  12.583   5.795
    8PA    H597 5952  -1.678  12.524   5.837
    8PA    H598 5953  -1.605  12.656   5.714
    8PA   Ch599 5954  -1.544  12.647   5.923
    8PA    H600 5955  -1.630  12.695   5.970
    8PA    H601 5956  -1.511  12.566   5.989
    8PA   Ch602 5957  -1.434  12.745   5.885
    8PA    H603 5958  -1.479  12.845   5.887
    8PA    H604 5959  -1.383  12.735   5.790
    8PA    N605 5960  -1.339  12.721   5.992
    8PA   Hn606 5961  -1.364  12.668   6.074
    8PA   Ca607 5962  -1.217  12.670   5.976
    8PA    O608 5963  -1.128  12.733   5.919
    8PA   Ch609 5964  -1.198  12.523   6.008
    8PA    H610 5965  -1.264  12.468   5.941
    8PA    H611 5966  -1.098  12.484   5.988
    8PA   Ch612 5967  -1.238  12.474   6.147
    8PA    H613 5968  -1.307  12.544   6.194
    8PA    H614 5969  -1.144  12.482   6.201
    8PA   Ch615 5970  -1.289  12.331   6.161
    8PA    H616 5971  -1.331  12.303   6.258
    8PA    H617 5972  -1.377  12.314   6.099
    8PA   Ch618 5973  -1.193  12.220   6.120
    8PA    H619 5974  -1.096  12.233   6.167
    8PA    H620 5975  -1.170  12.209   6.014
    8PA   Ca621 5976  -1.226  12.074   6.149
    8PA    O622 5977  -1.335  12.028   6.119
    8PA    N623 5978  -1.151  11.996   6.228
    8PA   Hn624 5979  -1.060  12.017   6.190
    8PA   Ch625 5980  -1.159  11.969   6.370
    8PA    H626 5981  -1.161  12.054   6.439
    8PA    H627 5982  -1.261  11.933   6.384
    8PA   Ch628 5983  -1.085  11.839   6.397
    8PA    H629 5984  -0.979  11.851   6.376
    8PA    H630 5985  -1.126  11.750   6.347
    8PA   Ch631 5986  -1.122  11.806   6.540
    8PA    H632 5987  -1.094  11.895   6.597
    8PA    H633 5988  -1.227  11.776   6.549
    8PA   Ch634 5989  -1.064  11.682   6.608
    8PA    H635 5990  -1.107  11.682   6.708
    8PA    H636 5991  -0.959  11.705   6.624
    8PA   Ch637 5992  -1.087  11.540   6.559
    8PA    H638 5993  -1.120  11.472   6.639
    8PA    H639 5994  -1.173  11.551   6.494
    8PA   Ch640 5995  -0.978  11.468   6.482
    8PA    H641 5996  -0.878  11.501   6.510
    8PA    H642 5997  -0.979  11.500   6.378
    8PA    N643 5998  -0.968  11.324   6.498
    8PA   Hn644 5999  -0.984  11.291   6.592
    8PA   Ca645 6000  -0.916  11.218   6.436
    8PA    O646 6001  -0.979  11.179   6.338
    8PA   Ch647 6002  -0.785  11.162   6.491
    8PA    H648 6003  -0.749  11.070   6.446
    8PA    H649 6004  -0.718  11.237   6.450
    8PA   Ch650 6005  -0.752  11.149   6.639
    8PA    H651 6006  -0.825  11.202   6.700
    8PA    H652 6007  -0.654  11.195   6.647
    8PA   Ch653 6008  -0.723  11.010   6.693
    8PA    H654 6009  -0.795  10.937   6.657
    8PA    H655 6010  -0.622  10.977   6.667
    8PA   Ch656 6011  -0.704  11.013   6.844
    8PA    H657 6012  -0.802  11.051   6.872
    8PA    H658 6013  -0.637  11.085   6.890
    8PA   Ca659 6014  -0.687  10.875   6.906
    8PA    O660 6015  -0.783  10.810   6.949
    8PA    N661 6016  -0.578  10.805   6.876
    8PA   Hn662 6017  -0.566  10.778   6.780
    8PA   Ch663 6018  -0.474  10.782   6.975
    8PA    H664 6019  -0.444  10.886   6.968
    8PA    H665 6020  -0.508  10.776   7.078
    8PA   Ch666 6021  -0.362  10.685   6.937
    8PA    H667 6022  -0.348  10.665   6.831
    8PA    H668 6023  -0.389  10.587   6.979
    8PA   Ch669 6024  -0.231  10.725   7.004
    8PA    H670 6025  -0.253  10.769   7.101
    8PA    H671 6026  -0.179  10.629   7.002
    8PA   Ch672 6027  -0.149  10.820   6.919
    8PA    H673 6028  -0.209  10.900   6.876
    8PA    H674 6029  -0.128  10.750   6.837
    8PA   Ch675 6030  -0.019  10.862   6.987
    8PA    H676 6031  -0.043  10.930   7.069
    8PA    H677 6032   0.043  10.782   7.027
    8PA   Ch678 6033   0.075  10.942   6.897
    8PA    H679 6034   0.141  11.008   6.953
    8PA    H680 6035   0.049  11.018   6.824
    8PA    N681 6036   0.161  10.859   6.814
    8PA   Hn682 6037   0.137  10.765   6.787
    8PA   Ca683 6038   0.293  10.874   6.809
    8PA    O684 6039   0.351  10.980   6.787
    8PA   Ch685 6040   0.361  10.768   6.895
    8PA    H686 6041   0.300  10.682   6.923
    8PA    H687 6042   0.423  10.708   6.828
    8PA   Ch688 6043   0.425  10.815   7.025
    8PA    H689 6044   0.360  10.852   7.104
    8PA    H690 6045   0.475  10.907   6.995
    8PA   Ch691 6046   0.531  10.722   7.083
    8PA    H692 6047   0.613  10.707   7.013
    8PA    H693 6048   0.579  10.787   7.157
    8PA   Ch694 6049   0.471  10.600   7.152
    8PA    H695 6050   0.364  10.619   7.147
    8PA    H696 6051   0.509  10.625   7.251
    8PA   Ca697 6052   0.500  10.461   7.096
    8PA    O698 6053   0.464  10.444   6.980
    8PA    N699 6054   0.608  10.399   7.145
    8PA   Hn700 6055   0.568  10.327   7.204
    8PA   Ch701 6056   0.746  10.393   7.100
    8PA    H702 6057   0.772  10.417   6.997
    8PA    H703 6058   0.822  10.450   7.154
    8PA   Ch704 6059   0.786  10.247   7.103
    8PA    H705 6060   0.741  10.181   7.028
    8PA    H706 6061   0.754  10.220   7.204
    8PA   Ch707 6062   0.937  10.238   7.087
    8PA    H708 6063   0.998  10.279   7.167
    8PA    H709 6064   0.949  10.131   7.104
    8PA   Ch710 6065   1.001  10.253   6.950
    8PA    H711 6066   0.975  10.358   6.936
    8PA    H712 6067   0.928  10.202   6.886
    8PA   Ch713 6068   1.147  10.214   6.928
    8PA    H714 6069   1.217  10.262   6.997
    8PA    H715 6070   1.140  10.109   6.954
    8PA   Ch716 6071   1.179  10.213   6.780
    8PA    H717 6072   1.165  10.318   6.755
    8PA    H718 6073   1.110  10.164   6.711
    8PA    N719 6074   1.316  10.177   6.747
    8PA   Hn720 6075   1.346  10.095   6.799
    8PA   Ca721 6076   1.403  10.221   6.657
    8PA    O722 6077   1.429  10.341   6.650
    8PA   Ch723 6078   1.468  10.131   6.552
    8PA    H724 6079   1.401  10.045   6.557
    8PA    H725 6080   1.459  10.183   6.457
    8PA   Ch726 6081   1.612  10.081   6.558
    8PA    H727 6082   1.621  10.007   6.479
    8PA    H728 6083   1.643  10.013   6.637
    8PA   Ch729 6084   1.731  10.175   6.540
    8PA    H730 6085   1.742  10.246   6.622
    8PA    H731 6086   1.824  10.124   6.564
    8PA   Ch732 6087   1.750  10.252   6.410
    8PA    H733 6088   1.703  10.230   6.314
    8PA    H734 6089   1.856  10.250   6.386
    8PA   Ca735 6090   1.718  10.400   6.421
    8PA    O736 6091   1.807  10.483   6.402
    8PA    N737 6092   1.589  10.424   6.396
    8PA   Hn738 6093   1.530  10.396   6.473
    8PA   Ch739 6094   1.522  10.447   6.270
    8PA    H740 6095   1.608  10.453   6.203
    8PA    H741 6096   1.463  10.356   6.263
    8PA   Ch742 6097   1.427  10.567   6.271
    8PA    H743 6098   1.486  10.651   6.235
    8PA    H744 6099   1.382  10.588   6.368
    8PA   Ch745 6100   1.324  10.543   6.162
    8PA    H746 6101   1.381  10.508   6.075
    8PA    H747 6102   1.242  10.480   6.196
    8PA   Ch748 6103   1.262  10.671   6.106
    8PA    H749 6104   1.336  10.750   6.096
    8PA    H750 6105   1.197  10.734   6.167
    8PA   Ch751 6106   1.202  10.662   5.967
    8PA    H752 6107   1.172  10.765   5.948
    8PA    H753 6108   1.276  10.627   5.894
    8PA   Ch754 6109   1.086  10.564   5.965
    8PA    H755 6110   1.008  10.607   6.029
    8PA    H756 6111   1.085  10.458   5.991
    8PA    N757 6112   1.035  10.560   5.830
    8PA   Hn758 6113   1.039  10.641   5.770
    8PA   Ca759 6114   0.950  10.481   5.763
    8PA    O760 6115   0.855  10.437   5.827
    8PA   Ch761 6116   0.995  10.420   5.631
    8PA    H762 6117   0.931  10.452   5.549
    8PA    H763 6118   1.103  10.429   5.628
    8PA    H764 6119   2.774   9.461  -4.039
    8PA    H765 6120   0.981  10.312   5.636
    9PA     Ch1 6121  -9.932   4.510 -11.808
    9PA      H2 6122 -10.007   4.456 -11.752
    9PA      H3 6123  -9.846   4.505 -11.741
    9PA     Ch4 6124  -9.947   4.633 -11.897
    9PA      H5 6125  -9.957   4.594 -11.998
    9PA      H6 6126  -9.856   4.690 -11.918
    9PA     Ch7 6127 -10.060   4.724 -11.852
    9PA      H8 6128 -10.137   4.648 -11.870
    9PA      H9 6129 -10.052   4.743 -11.744
    9PA    Ch10 6130 -10.097   4.845 -11.936
    9PA     H11 6131 -10.190   4.900 -11.920
    9PA     H12 6132 -10.109   4.814 -12.040
    9PA    Ca13 6133  -9.976   4.938 -11.943
    9PA     O14 6134  -9.930   5.005 -11.851
    9PA     N15 6135  -9.915   4.958 -12.059
    9PA    Hn16 6136  -9.979   4.975 -12.135
    9PA    Ch17 6137  -9.792   4.897 -12.107
    9PA     H18 6138  -9.724   4.972 -12.147
    9PA     H19 6139  -9.744   4.846 -12.024
    9PA    Ch20 6140  -9.803   4.790 -12.215
    9PA     H21 6141  -9.841   4.843 -12.302
    9PA     H22 6142  -9.867   4.708 -12.183
    9PA    Ch23 6143  -9.683   4.713 -12.268
    9PA     H24 6144  -9.730   4.660 -12.351
    9PA     H25 6145  -9.603   4.767 -12.319
    9PA    Ch26 6146  -9.627   4.597 -12.187
    9PA     H27 6147  -9.598   4.520 -12.258
    9PA     H28 6148  -9.714   4.562 -12.132
    9PA    Ch29 6149  -9.522   4.633 -12.082
    9PA     H30 6150  -9.431   4.688 -12.108
    9PA     H31 6151  -9.555   4.688 -11.994
    9PA    Ch32 6152  -9.476   4.497 -12.032
    9PA     H33 6153  -9.418   4.462 -12.117
    9PA     H34 6154  -9.555   4.423 -12.015
    9PA     N35 6155  -9.403   4.520 -11.909
    9PA    Hn36 6156  -9.322   4.577 -11.889
    9PA    Ca37 6157  -9.431   4.470 -11.788
    9PA     O38 6158  -9.430   4.349 -11.770
    9PA    Ch39 6159  -9.538   4.542 -11.706
    9PA     H40 6160  -9.534   4.644 -11.744
    9PA     H41 6161  -9.635   4.506 -11.741
    9PA    Ch42 6162  -9.547   4.525 -11.555
    9PA     H43 6163  -9.536   4.417 -11.541
    9PA     H44 6164  -9.640   4.568 -11.518
    9PA    Ch45 6165  -9.429   4.588 -11.483
    9PA     H46 6166  -9.340   4.588 -11.547
    9PA     H47 6167  -9.435   4.695 -11.465
    9PA    Ch48 6168  -9.406   4.542 -11.340
    9PA     H49 6169  -9.349   4.450 -11.327
    9PA     H50 6170  -9.504   4.505 -11.311
    9PA    Ca51 6171  -9.376   4.627 -11.217
    9PA     O52 6172  -9.444   4.728 -11.204
    9PA     N53 6173  -9.310   4.566 -11.118
    9PA    Hn54 6174  -9.350   4.476 -11.095
    9PA    Ch55 6175  -9.179   4.593 -11.063
    9PA     H56 6176  -9.127   4.497 -11.062
    9PA     H57 6177  -9.109   4.643 -11.130
    9PA    Ch58 6178  -9.179   4.688 -10.943
    9PA     H59 6179  -9.243   4.774 -10.964
    9PA     H60 6180  -9.076   4.724 -10.946
    9PA    Ch61 6181  -9.189   4.618 -10.809
    9PA     H62 6182  -9.148   4.517 -10.822
    9PA     H63 6183  -9.117   4.674 -10.749
    9PA    Ch64 6184  -9.336   4.637 -10.775
    9PA     H65 6185  -9.409   4.597 -10.846
    9PA     H66 6186  -9.365   4.742 -10.777
    9PA    Ch67 6187  -9.362   4.590 -10.632
    9PA     H68 6188  -9.285   4.523 -10.594
    9PA     H69 6189  -9.370   4.679 -10.569
    9PA    Ch70 6190  -9.471   4.484 -10.628
    9PA     H71 6191  -9.481   4.426 -10.720
    9PA     H72 6192  -9.553   4.555 -10.634
    9PA     N73 6193  -9.474   4.409 -10.504
    9PA    Hn74 6194  -9.398   4.421 -10.438
    9PA    Ca75 6195  -9.588   4.358 -10.458
    9PA     O76 6196  -9.673   4.432 -10.410
    9PA    Ch77 6197  -9.602   4.208 -10.484
    9PA     H78 6198  -9.709   4.187 -10.499
    9PA     H79 6199  -9.550   4.175 -10.574
    9PA    Ch80 6200  -9.544   4.110 -10.383
    9PA     H81 6201  -9.441   4.145 -10.378
    9PA     H82 6202  -9.542   4.012 -10.432
    9PA    Ch83 6203  -9.622   4.084 -10.255
    9PA     H84 6204  -9.639   4.180 -10.206
    9PA     H85 6205  -9.720   4.037 -10.265
    9PA    Ch86 6206  -9.539   3.990 -10.169
    9PA     H87 6207  -9.524   3.904 -10.236
    9PA     H88 6208  -9.599   3.938 -10.094
    9PA    Ca89 6209  -9.425   4.044 -10.084
    9PA     O90 6210  -9.426   4.137 -10.003
    9PA     N91 6211  -9.310   3.987 -10.119
    9PA    Hn92 6212  -9.305   3.965 -10.217
    9PA    Ch93 6213  -9.220   3.915 -10.031
    9PA     H94 6214  -9.126   3.968 -10.011
    9PA     H95 6215  -9.273   3.913  -9.936
    9PA    Ch96 6216  -9.200   3.770 -10.071
    9PA     H97 6217  -9.144   3.775 -10.164
    9PA     H98 6218  -9.288   3.723 -10.116
    9PA    Ch99 6219  -9.122   3.675  -9.980
    9PA    H100 6220  -9.176   3.684  -9.886
    9PA    H101 6221  -9.153   3.574 -10.006
    9PA   Ch102 6222  -8.974   3.684  -9.946
    9PA    H103 6223  -8.939   3.786  -9.925
    9PA    H104 6224  -8.909   3.636 -10.020
    9PA   Ch105 6225  -8.940   3.617  -9.814
    9PA    H106 6226  -8.957   3.696  -9.740
    9PA    H107 6227  -8.995   3.524  -9.804
    9PA   Ch108 6228  -8.800   3.560  -9.794
    9PA    H109 6229  -8.778   3.484  -9.869
    9PA    H110 6230  -8.787   3.516  -9.695
    9PA    N111 6231  -8.706   3.670  -9.789
    9PA   Hn112 6232  -8.750   3.761  -9.799
    9PA   Ca113 6233  -8.598   3.707  -9.858
    9PA    O114 6234  -8.494   3.644  -9.845
    9PA   Ch115 6235  -8.601   3.822  -9.957
    9PA    H116 6236  -8.519   3.838 -10.028
    9PA    H117 6237  -8.681   3.801 -10.028
    9PA   Ch118 6238  -8.632   3.959  -9.899
    9PA    H119 6239  -8.535   3.970  -9.850
    9PA    H120 6240  -8.699   3.962  -9.812
    9PA   Ch121 6241  -8.677   4.077  -9.984
    9PA    H122 6242  -8.740   4.047 -10.069
    9PA    H123 6243  -8.734   4.144  -9.920
    9PA   Ch124 6244  -8.567   4.140 -10.069
    9PA    H125 6245  -8.547   4.098 -10.168
    9PA    H126 6246  -8.476   4.132 -10.010
    9PA   Ca127 6247  -8.593   4.289 -10.089
    9PA    O128 6248  -8.695   4.325 -10.146
    9PA    N129 6249  -8.520   4.390 -10.041
    9PA   Hn130 6250  -8.529   4.402  -9.941
    9PA   Ch131 6251  -8.425   4.480 -10.104
    9PA    H132 6252  -8.349   4.414 -10.145
    9PA    H133 6253  -8.480   4.517 -10.190
    9PA   Ch134 6254  -8.369   4.583 -10.007
    9PA    H135 6255  -8.430   4.598  -9.918
    9PA    H136 6256  -8.402   4.676 -10.051
    9PA   Ch137 6257  -8.219   4.592  -9.983
    9PA    H138 6258  -8.183   4.599 -10.086
    9PA    H139 6259  -8.212   4.693  -9.943
    9PA   Ch140 6260  -8.155   4.481  -9.900
    9PA    H141 6261  -8.175   4.383  -9.942
    9PA    H142 6262  -8.193   4.516  -9.803
    9PA   Ch143 6263  -8.007   4.508  -9.875
    9PA    H144 6264  -7.951   4.520  -9.968
    9PA    H145 6265  -7.983   4.600  -9.821
    9PA   Ch146 6266  -7.928   4.405  -9.795
    9PA    H147 6267  -7.979   4.312  -9.821
    9PA    H148 6268  -7.942   4.406  -9.687
    9PA    N149 6269  -7.792   4.402  -9.843
    9PA   Hn150 6270  -7.754   4.465  -9.912
    9PA   Ca151 6271  -7.688   4.343  -9.784
    9PA    O152 6272  -7.687   4.225  -9.749
    9PA   Ch153 6273  -7.582   4.438  -9.730
    9PA    H154 6274  -7.622   4.535  -9.697
    9PA    H155 6275  -7.566   4.402  -9.628
    9PA   Ch156 6276  -7.449   4.433  -9.802
    9PA    H157 6277  -7.430   4.526  -9.856
    9PA    H158 6278  -7.430   4.352  -9.873
    9PA   Ch159 6279  -7.335   4.394  -9.709
    9PA    H160 6280  -7.314   4.469  -9.633
    9PA    H161 6281  -7.350   4.297  -9.661
    9PA   Ch162 6282  -7.201   4.372  -9.778
    9PA    H163 6283  -7.125   4.425  -9.721
    9PA    H164 6284  -7.189   4.412  -9.879
    9PA   Ca165 6285  -7.151   4.233  -9.813
    9PA    O166 6286  -7.225   4.139  -9.843
    9PA    N167 6287  -7.030   4.214  -9.759
    9PA   Hn168 6288  -7.023   4.279  -9.682
    9PA   Ch169 6289  -6.905   4.177  -9.821
    9PA    H170 6290  -6.900   4.085  -9.879
    9PA    H171 6291  -6.880   4.250  -9.899
    9PA   Ch172 6292  -6.780   4.199  -9.737
    9PA    H173 6293  -6.803   4.234  -9.636
    9PA    H174 6294  -6.728   4.281  -9.787
    9PA   Ch175 6295  -6.721   4.067  -9.690
    9PA    H176 6296  -6.717   4.019  -9.788
    9PA    H177 6297  -6.621   4.079  -9.648
    9PA   Ch178 6298  -6.807   3.979  -9.600
    9PA    H179 6299  -6.858   3.911  -9.668
    9PA    H180 6300  -6.877   4.044  -9.548
    9PA   Ch181 6301  -6.744   3.894  -9.491
    9PA    H182 6302  -6.642   3.890  -9.529
    9PA    H183 6303  -6.736   3.947  -9.396
    9PA   Ch184 6304  -6.775   3.745  -9.481
    9PA    H185 6305  -6.686   3.699  -9.525
    9PA    H186 6306  -6.866   3.739  -9.541
    9PA    N187 6307  -6.792   3.713  -9.341
    9PA   Hn188 6308  -6.719   3.715  -9.270
    9PA   Ca189 6309  -6.891   3.706  -9.252
    9PA    O190 6310  -6.865   3.750  -9.140
    9PA   Ch191 6311  -6.968   3.575  -9.269
    9PA    H192 6312  -7.046   3.581  -9.194
    9PA    H193 6313  -7.008   3.561  -9.370
    9PA   Ch194 6314  -6.899   3.447  -9.224
    9PA    H195 6315  -6.790   3.454  -9.229
    9PA    H196 6316  -6.915   3.378  -9.307
    9PA   Ch197 6317  -6.962   3.375  -9.106
    9PA    H198 6318  -7.071   3.373  -9.110
    9PA    H199 6319  -6.949   3.267  -9.116
    9PA   Ch200 6320  -6.919   3.424  -8.968
    9PA    H201 6321  -7.013   3.445  -8.918
    9PA    H202 6322  -6.898   3.530  -8.982
    9PA   Ca203 6323  -6.812   3.344  -8.894
    9PA    O204 6324  -6.845   3.230  -8.863
    9PA    N205 6325  -6.693   3.399  -8.870
    9PA   Hn206 6326  -6.657   3.443  -8.953
    9PA   Ch207 6327  -6.641   3.446  -8.743
    9PA    H208 6328  -6.700   3.505  -8.672
    9PA    H209 6329  -6.643   3.354  -8.685
    9PA   Ch210 6330  -6.497   3.494  -8.736
    9PA    H211 6331  -6.482   3.549  -8.829
    9PA    H212 6332  -6.435   3.409  -8.765
    9PA   Ch213 6333  -6.456   3.557  -8.604
    9PA    H214 6334  -6.532   3.612  -8.548
    9PA    H215 6335  -6.445   3.485  -8.523
    9PA   Ch216 6336  -6.338   3.653  -8.594
    9PA    H217 6337  -6.357   3.741  -8.655
    9PA    H218 6338  -6.244   3.604  -8.620
    9PA   Ch219 6339  -6.294   3.717  -8.463
    9PA    H220 6340  -6.387   3.768  -8.436
    9PA    H221 6341  -6.278   3.640  -8.387
    9PA   Ch222 6342  -6.174   3.808  -8.442
    9PA    H223 6343  -6.176   3.906  -8.489
    9PA    H224 6344  -6.085   3.761  -8.484
    9PA    N225 6345  -6.158   3.840  -8.302
    9PA   Hn226 6346  -6.248   3.829  -8.257
    9PA   Ca227 6347  -6.054   3.813  -8.222
    9PA    O228 6348  -5.984   3.910  -8.195
    9PA   Ch229 6349  -6.063   3.673  -8.162
    9PA    H230 6350  -6.148   3.663  -8.095
    9PA    H231 6351  -6.076   3.602  -8.244
    9PA   Ch232 6352  -5.930   3.607  -8.127
    9PA    H233 6353  -5.910   3.659  -8.034
    9PA    H234 6354  -5.857   3.620  -8.208
    9PA   Ch235 6355  -5.944   3.456  -8.112
    9PA    H236 6356  -5.993   3.450  -8.014
    9PA    H237 6357  -6.008   3.400  -8.181
    9PA   Ch238 6358  -5.809   3.386  -8.108
    9PA    H239 6359  -5.777   3.432  -8.015
    9PA    H240 6360  -5.740   3.427  -8.182
    9PA   Ca241 6361  -5.792   3.235  -8.120
    9PA    O242 6362  -5.795   3.187  -8.233
    9PA    N243 6363  -5.773   3.168  -8.006
    9PA   Hn244 6364  -5.849   3.189  -7.942
    9PA   Ch245 6365  -5.650   3.114  -7.951
    9PA    H246 6366  -5.619   3.028  -8.011
    9PA    H247 6367  -5.570   3.182  -7.921
    9PA   Ch248 6368  -5.680   3.039  -7.822
    9PA    H249 6369  -5.778   3.001  -7.850
    9PA    H250 6370  -5.679   3.113  -7.741
    9PA   Ch251 6371  -5.596   2.927  -7.765
    9PA    H252 6372  -5.621   2.840  -7.825
    9PA    H253 6373  -5.488   2.940  -7.770
    9PA   Ch254 6374  -5.651   2.897  -7.626
    9PA    H255 6375  -5.678   2.983  -7.564
    9PA    H256 6376  -5.561   2.852  -7.586
    9PA   Ch257 6377  -5.765   2.798  -7.603
    9PA    H258 6378  -5.848   2.838  -7.661
    9PA    H259 6379  -5.731   2.698  -7.630
    9PA   Ch260 6380  -5.842   2.798  -7.472
    9PA    H261 6381  -5.844   2.902  -7.439
    9PA    H262 6382  -5.778   2.743  -7.403
    9PA    N263 6383  -5.978   2.746  -7.474
    9PA   Hn264 6384  -6.048   2.819  -7.482
    9PA   Ca265 6385  -6.025   2.632  -7.424
    9PA    O266 6386  -5.983   2.520  -7.454
    9PA   Ch267 6387  -6.075   2.637  -7.280
    9PA    H268 6388  -6.145   2.721  -7.280
    9PA    H269 6389  -6.126   2.546  -7.246
    9PA   Ch270 6390  -5.965   2.657  -7.177
    9PA    H271 6391  -5.906   2.746  -7.201
    9PA    H272 6392  -5.885   2.583  -7.183
    9PA   Ch273 6393  -6.009   2.654  -7.031
    9PA    H274 6394  -6.099   2.708  -7.001
    9PA    H275 6395  -6.045   2.553  -7.011
    9PA   Ch276 6396  -5.905   2.669  -6.921
    9PA    H277 6397  -5.859   2.766  -6.938
    9PA    H278 6398  -5.812   2.615  -6.940
    9PA   Ca279 6399  -5.943   2.638  -6.778
    9PA    O280 6400  -5.939   2.521  -6.738
    9PA    N281 6401  -5.941   2.741  -6.693
    9PA   Hn282 6402  -5.990   2.809  -6.750
    9PA   Ch283 6403  -5.840   2.794  -6.603
    9PA    H284 6404  -5.777   2.714  -6.564
    9PA    H285 6405  -5.768   2.849  -6.663
    9PA   Ch286 6406  -5.914   2.881  -6.503
    9PA    H287 6407  -5.970   2.818  -6.433
    9PA    H288 6408  -5.962   2.960  -6.560
    9PA   Ch289 6409  -5.815   2.959  -6.418
    9PA    H290 6410  -5.737   2.887  -6.396
    9PA    H291 6411  -5.777   3.035  -6.486
    9PA   Ch292 6412  -5.880   3.033  -6.301
    9PA    H293 6413  -5.938   2.955  -6.253
    9PA    H294 6414  -5.943   3.122  -6.309
    9PA   Ch295 6415  -5.771   3.078  -6.205
    9PA    H296 6416  -5.719   2.998  -6.153
    9PA    H297 6417  -5.681   3.118  -6.251
    9PA   Ch298 6418  -5.799   3.189  -6.105
    9PA    H299 6419  -5.893   3.166  -6.054
    9PA    H300 6420  -5.823   3.290  -6.140
    9PA    N301 6421  -5.703   3.204  -5.997
    9PA   Hn302 6422  -5.620   3.146  -5.998
    9PA   Ca303 6423  -5.749   3.249  -5.880
    9PA    O304 6424  -5.747   3.368  -5.850
    9PA   Ch305 6425  -5.783   3.149  -5.771
    9PA    H306 6426  -5.718   3.061  -5.771
    9PA    H307 6427  -5.767   3.199  -5.676
    9PA   Ch308 6428  -5.922   3.087  -5.766
    9PA    H309 6429  -5.924   2.978  -5.752
    9PA    H310 6430  -5.970   3.090  -5.864
    9PA   Ch311 6431  -6.023   3.163  -5.682
    9PA    H312 6432  -5.980   3.224  -5.601
    9PA    H313 6433  -6.072   3.238  -5.744
    9PA   Ch314 6434  -6.124   3.069  -5.618
    9PA    H315 6435  -6.072   2.984  -5.573
    9PA    H316 6436  -6.190   3.018  -5.688
    9PA   Ca317 6437  -6.195   3.125  -5.496
    9PA    O318 6438  -6.151   3.111  -5.382
    9PA    N319 6439  -6.323   3.157  -5.518
    9PA   Hn320 6440  -6.388   3.079  -5.515
    9PA   Ch321 6441  -6.362   3.289  -5.563
    9PA    H322 6442  -6.410   3.332  -5.475
    9PA    H323 6443  -6.269   3.344  -5.548
    9PA   Ch324 6444  -6.440   3.277  -5.693
    9PA    H325 6445  -6.385   3.221  -5.768
    9PA    H326 6446  -6.444   3.376  -5.739
    9PA   Ch327 6447  -6.577   3.212  -5.683
    9PA    H328 6448  -6.604   3.226  -5.787
    9PA    H329 6449  -6.554   3.109  -5.656
    9PA   Ch330 6450  -6.689   3.279  -5.604
    9PA    H331 6451  -6.683   3.388  -5.614
    9PA    H332 6452  -6.668   3.266  -5.497
    9PA   Ch333 6453  -6.832   3.239  -5.635
    9PA    H334 6454  -6.893   3.329  -5.626
    9PA    H335 6455  -6.841   3.211  -5.740
    9PA   Ch336 6456  -6.862   3.111  -5.559
    9PA    H337 6457  -6.801   3.099  -5.469
    9PA    H338 6458  -6.807   3.031  -5.608
    9PA    N339 6459  -7.004   3.079  -5.563
    9PA   Hn340 6460  -7.074   3.092  -5.635
    9PA   Ca341 6461  -7.061   2.977  -5.500
    9PA    O342 6462  -7.036   2.860  -5.530
    9PA   Ch343 6463  -7.153   3.008  -5.383
    9PA    H344 6464  -7.200   3.103  -5.410
    9PA    H345 6465  -7.236   2.939  -5.367
    9PA   Ch346 6466  -7.084   3.029  -5.249
    9PA    H347 6467  -6.982   3.066  -5.247
    9PA    H348 6468  -7.099   2.930  -5.206
    9PA   Ch349 6469  -7.180   3.105  -5.157
    9PA    H350 6470  -7.194   3.200  -5.209
    9PA    H351 6471  -7.278   3.059  -5.149
    9PA   Ch352 6472  -7.122   3.129  -5.018
    9PA    H353 6473  -7.038   3.196  -5.037
    9PA    H354 6474  -7.108   3.028  -4.979
    9PA   Ca355 6475  -7.217   3.193  -4.918
    9PA    O356 6476  -7.330   3.232  -4.946
    9PA    N357 6477  -7.182   3.184  -4.790
    9PA   Hn358 6478  -7.098   3.238  -4.807
    9PA   Ch359 6479  -7.212   3.103  -4.674
    9PA    H360 6480  -7.315   3.119  -4.641
    9PA    H361 6481  -7.191   3.000  -4.702
    9PA   Ch362 6482  -7.126   3.165  -4.564
    9PA    H363 6483  -7.182   3.245  -4.517
    9PA    H364 6484  -7.039   3.214  -4.608
    9PA   Ch365 6485  -7.053   3.071  -4.469
    9PA    H366 6486  -7.028   2.984  -4.528
    9PA    H367 6487  -6.955   3.102  -4.429
    9PA   Ch368 6488  -7.133   3.036  -4.345
    9PA    H369 6489  -7.193   2.947  -4.365
    9PA    H370 6490  -7.196   3.121  -4.315
    9PA   Ch371 6491  -7.070   3.010  -4.209
    9PA    H372 6492  -6.997   2.938  -4.244
    9PA    H373 6493  -6.980   3.071  -4.194
    9PA   Ch374 6494  -7.156   2.978  -4.087
    9PA    H375 6495  -7.116   2.892  -4.033
    9PA    H376 6496  -7.256   2.940  -4.109
    9PA    N377 6497  -7.167   3.105  -4.019
    9PA   Hn378 6498  -7.253   3.150  -4.048
    9PA   Ca379 6499  -7.126   3.141  -3.897
    9PA    O380 6500  -7.006   3.148  -3.868
    9PA   Ch381 6501  -7.229   3.135  -3.785
    9PA    H382 6502  -7.304   3.064  -3.821
    9PA    H383 6503  -7.178   3.103  -3.694
    9PA   Ch384 6504  -7.299   3.262  -3.739
    9PA    H385 6505  -7.272   3.272  -3.634
    9PA    H386 6506  -7.402   3.227  -3.732
    9PA   Ch387 6507  -7.283   3.394  -3.812
    9PA    H388 6508  -7.177   3.417  -3.825
    9PA    H389 6509  -7.333   3.371  -3.906
    9PA   Ch390 6510  -7.357   3.504  -3.738
    9PA    H391 6511  -7.319   3.601  -3.768
    9PA    H392 6512  -7.348   3.500  -3.629
    9PA   Ca393 6513  -7.509   3.504  -3.754
    9PA    O394 6514  -7.578   3.413  -3.707
    9PA    N395 6515  -7.560   3.595  -3.836
    9PA   Hn396 6516  -7.530   3.688  -3.807
    9PA   Ch397 6517  -7.600   3.593  -3.975
    9PA    H398 6518  -7.569   3.691  -4.012
    9PA    H399 6519  -7.547   3.520  -4.037
    9PA   Ch400 6520  -7.750   3.573  -3.992
    9PA    H401 6521  -7.803   3.636  -4.064
    9PA    H402 6522  -7.821   3.597  -3.912
    9PA   Ch403 6523  -7.783   3.434  -4.043
    9PA    H404 6524  -7.733   3.410  -4.137
    9PA    H405 6525  -7.769   3.364  -3.960
    9PA   Ch406 6526  -7.929   3.402  -4.075
    9PA    H407 6527  -7.962   3.459  -4.163
    9PA    H408 6528  -8.001   3.422  -3.996
    9PA   Ch409 6529  -7.936   3.255  -4.110
    9PA    H410 6530  -7.851   3.246  -4.178
    9PA    H411 6531  -7.917   3.210  -4.013
    9PA   Ch412 6532  -8.073   3.211  -4.160
    9PA    H413 6533  -8.122   3.257  -4.246
    9PA    H414 6534  -8.145   3.214  -4.078
    9PA    N415 6535  -8.064   3.072  -4.198
    9PA   Hn416 6536  -8.015   3.049  -4.284
    9PA   Ca417 6537  -8.073   2.949  -4.147
    9PA    O418 6538  -8.175   2.919  -4.084
    9PA   Ch419 6539  -7.936   2.892  -4.115
    9PA    H420 6540  -7.862   2.973  -4.119
    9PA    H421 6541  -7.936   2.886  -4.006
    9PA   Ch422 6542  -7.891   2.764  -4.185
    9PA    H423 6543  -7.835   2.797  -4.272
    9PA    H424 6544  -7.973   2.701  -4.219
    9PA   Ch425 6545  -7.769   2.698  -4.123
    9PA    H426 6546  -7.719   2.626  -4.187
    9PA    H427 6547  -7.682   2.762  -4.105
    9PA   Ch428 6548  -7.805   2.605  -4.008
    9PA    H429 6549  -7.861   2.514  -4.030
    9PA    H430 6550  -7.862   2.650  -3.927
    9PA   Ca431 6551  -7.688   2.551  -3.926
    9PA    O432 6552  -7.680   2.432  -3.898
    9PA    N433 6553  -7.622   2.644  -3.856
    9PA   Hn434 6554  -7.603   2.692  -3.943
    9PA   Ch435 6555  -7.615   2.706  -3.725
    9PA    H436 6556  -7.696   2.777  -3.708
    9PA    H437 6557  -7.628   2.635  -3.644
    9PA   Ch438 6558  -7.492   2.796  -3.721
    9PA    H439 6559  -7.527   2.866  -3.645
    9PA    H440 6560  -7.474   2.849  -3.815
    9PA   Ch441 6561  -7.369   2.733  -3.659
    9PA    H442 6562  -7.404   2.655  -3.590
    9PA    H443 6563  -7.325   2.690  -3.749
    9PA   Ch444 6564  -7.246   2.797  -3.596
    9PA    H445 6565  -7.290   2.820  -3.498
    9PA    H446 6566  -7.224   2.890  -3.649
    9PA   Ch447 6567  -7.128   2.703  -3.576
    9PA    H448 6568  -7.141   2.617  -3.510
    9PA    H449 6569  -7.097   2.651  -3.666
    9PA   Ch450 6570  -7.016   2.775  -3.502
    9PA    H451 6571  -7.052   2.811  -3.406
    9PA    H452 6572  -6.975   2.856  -3.562
    9PA    N453 6573  -6.915   2.675  -3.475
    9PA   Hn454 6574  -6.914   2.588  -3.527
    9PA   Ca455 6575  -6.798   2.701  -3.416
    9PA    O456 6576  -6.793   2.773  -3.317
    9PA   Ch457 6577  -6.672   2.694  -3.502
    9PA    H458 6578  -6.705   2.652  -3.597
    9PA    H459 6579  -6.666   2.799  -3.530
    9PA   Ch460 6580  -6.560   2.590  -3.508
    9PA    H461 6581  -6.503   2.564  -3.597
    9PA    H462 6582  -6.615   2.497  -3.494
    9PA   Ch463 6583  -6.457   2.621  -3.400
    9PA    H464 6584  -6.404   2.710  -3.434
    9PA    H465 6585  -6.490   2.663  -3.305
    9PA   Ch466 6586  -6.355   2.511  -3.373
    9PA    H467 6587  -6.262   2.521  -3.429
    9PA    H468 6588  -6.411   2.421  -3.397
    9PA   Ca469 6589  -6.310   2.510  -3.227
    9PA    O470 6590  -6.279   2.398  -3.187
    9PA    N471 6591  -6.249   2.610  -3.164
    9PA   Hn472 6592  -6.231   2.685  -3.231
    9PA   Ch473 6593  -6.312   2.683  -3.056
    9PA    H474 6594  -6.369   2.770  -3.090
    9PA    H475 6595  -6.382   2.636  -2.986
    9PA   Ch476 6596  -6.200   2.742  -2.972
    9PA    H477 6597  -6.132   2.788  -3.044
    9PA    H478 6598  -6.135   2.666  -2.928
    9PA   Ch479 6599  -6.250   2.818  -2.850
    9PA    H480 6600  -6.342   2.875  -2.867
    9PA    H481 6601  -6.269   2.737  -2.780
    9PA   Ch482 6602  -6.152   2.909  -2.778
    9PA    H483 6603  -6.136   2.984  -2.855
    9PA    H484 6604  -6.067   2.842  -2.759
    9PA   Ch485 6605  -6.199   2.949  -2.639
    9PA    H486 6606  -6.261   3.035  -2.666
    9PA    H487 6607  -6.247   2.865  -2.590
    9PA   Ch488 6608  -6.089   3.008  -2.551
    9PA    H489 6609  -6.062   3.107  -2.589
    9PA    H490 6610  -6.002   2.943  -2.546
    9PA    N491 6611  -6.133   3.015  -2.413
    9PA   Hn492 6612  -6.178   2.935  -2.370
    9PA   Ca493 6613  -6.134   3.131  -2.347
    9PA    O494 6614  -6.040   3.152  -2.270
    9PA   Ch495 6615  -6.262   3.211  -2.328
    9PA    H496 6616  -6.343   3.154  -2.374
    9PA    H497 6617  -6.285   3.186  -2.224
    9PA   Ch498 6618  -6.253   3.363  -2.329
    9PA    H499 6619  -6.223   3.414  -2.421
    9PA    H500 6620  -6.167   3.387  -2.266
    9PA   Ch501 6621  -6.386   3.429  -2.294
    9PA    H502 6622  -6.442   3.434  -2.387
    9PA    H503 6623  -6.455   3.362  -2.242
    9PA   Ch504 6624  -6.386   3.558  -2.214
    9PA    H505 6625  -6.408   3.641  -2.281
    9PA    H506 6626  -6.284   3.594  -2.205
    9PA   Ca507 6627  -6.444   3.565  -2.073
    9PA    O508 6628  -6.377   3.543  -1.973
    9PA    N509 6629  -6.564   3.621  -2.058
    9PA   Hn510 6630  -6.622   3.573  -2.126
    9PA   Ch511 6631  -6.600   3.756  -2.021
    9PA    H512 6632  -6.564   3.775  -1.919
    9PA    H513 6633  -6.542   3.823  -2.084
    9PA   Ch514 6634  -6.746   3.779  -2.059
    9PA    H515 6635  -6.793   3.681  -2.044
    9PA    H516 6636  -6.780   3.801  -2.160
    9PA   Ch517 6637  -6.830   3.858  -1.960
    9PA    H518 6638  -6.762   3.933  -1.921
    9PA    H519 6639  -6.913   3.908  -2.012
    9PA   Ch520 6640  -6.869   3.797  -1.826
    9PA    H521 6641  -6.777   3.759  -1.781
    9PA    H522 6642  -6.945   3.723  -1.855
    9PA   Ch523 6643  -6.940   3.894  -1.733
    9PA    H524 6644  -6.993   3.956  -1.805
    9PA    H525 6645  -7.010   3.838  -1.671
    9PA   Ch526 6646  -6.857   4.003  -1.668
    9PA    H527 6647  -6.749   3.993  -1.679
    9PA    H528 6648  -6.872   3.965  -1.567
    9PA    N529 6649  -6.899   4.141  -1.685
    9PA   Hn530 6650  -6.932   4.201  -1.611
    9PA   Ca531 6651  -6.875   4.222  -1.788
    9PA    O532 6652  -6.898   4.191  -1.905
    9PA   Ch533 6653  -6.772   4.332  -1.772
    9PA    H534 6654  -6.703   4.301  -1.693
    9PA    H535 6655  -6.704   4.336  -1.857
    9PA   Ch536 6656  -6.815   4.471  -1.728
    9PA    H537 6657  -6.731   4.499  -1.664
    9PA    H538 6658  -6.908   4.482  -1.673
    9PA   Ch539 6659  -6.830   4.563  -1.848
    9PA    H540 6660  -6.728   4.586  -1.880
    9PA    H541 6661  -6.865   4.509  -1.937
    9PA   Ch542 6662  -6.913   4.690  -1.827
    9PA    H543 6663  -6.876   4.771  -1.889
    9PA    H544 6664  -6.905   4.726  -1.724
    9PA   Ca545 6665  -7.057   4.700  -1.874
    9PA    O546 6666  -7.125   4.626  -1.945
    9PA    N547 6667  -7.129   4.799  -1.821
    9PA   Hn548 6668  -7.122   4.790  -1.720
    9PA   Ch549 6669  -7.136   4.929  -1.884
    9PA    H550 6670  -7.038   4.973  -1.864
    9PA    H551 6671  -7.174   4.914  -1.986
    9PA   Ch552 6672  -7.235   5.010  -1.803
    9PA    H553 6673  -7.235   4.997  -1.694
    9PA    H554 6674  -7.335   4.979  -1.834
    9PA   Ch555 6675  -7.233   5.152  -1.859
    9PA    H556 6676  -7.138   5.204  -1.845
    9PA    H557 6677  -7.237   5.143  -1.967
    9PA   Ch558 6678  -7.359   5.223  -1.811
    9PA    H559 6679  -7.337   5.247  -1.707
    9PA    H560 6680  -7.451   5.171  -1.784
    9PA   Ch561 6681  -7.407   5.353  -1.874
    9PA    H562 6682  -7.475   5.412  -1.812
    9PA    H563 6683  -7.319   5.402  -1.915
    9PA   Ch564 6684  -7.481   5.320  -2.003
    9PA    H565 6685  -7.562   5.249  -1.986
    9PA    H566 6686  -7.431   5.266  -2.084
    9PA    N567 6687  -7.518   5.435  -2.084
    9PA   Hn568 6688  -7.452   5.507  -2.110
    9PA   Ca569 6689  -7.628   5.509  -2.095
    9PA    O570 6690  -7.734   5.455  -2.128
    9PA   Ch571 6691  -7.622   5.655  -2.054
    9PA    H572 6692  -7.728   5.680  -2.055
    9PA    H573 6693  -7.589   5.672  -1.952
    9PA   Ch574 6694  -7.554   5.751  -2.152
    9PA    H575 6695  -7.446   5.743  -2.151
    9PA    H576 6696  -7.575   5.846  -2.101
    9PA   Ch577 6697  -7.623   5.751  -2.287
    9PA    H578 6698  -7.732   5.757  -2.284
    9PA    H579 6699  -7.597   5.669  -2.354
    9PA   Ch580 6700  -7.573   5.866  -2.375
    9PA    H581 6701  -7.472   5.856  -2.415
    9PA    H582 6702  -7.590   5.949  -2.306
    9PA   Ca583 6703  -7.663   5.908  -2.490
    9PA    O584 6704  -7.751   5.992  -2.471
    9PA    N585 6705  -7.672   5.817  -2.587
    9PA   Hn586 6706  -7.598   5.823  -2.656
    9PA   Ch587 6707  -7.777   5.718  -2.605
    9PA    H588 6708  -7.735   5.649  -2.532
    9PA    H589 6709  -7.867   5.760  -2.560
    9PA   Ch590 6710  -7.783   5.667  -2.748
    9PA    H591 6711  -7.774   5.560  -2.763
    9PA    H592 6712  -7.707   5.719  -2.807
    9PA   Ch593 6713  -7.900   5.718  -2.831
    9PA    H594 6714  -7.988   5.670  -2.788
    9PA    H595 6715  -7.914   5.825  -2.819
    9PA   Ch596 6716  -7.909   5.694  -2.981
    9PA    H597 6717  -7.941   5.593  -3.007
    9PA    H598 6718  -7.806   5.717  -3.012
    9PA   Ch599 6719  -8.010   5.779  -3.056
    9PA    H600 6720  -7.975   5.773  -3.158
    9PA    H601 6721  -8.099   5.716  -3.065
    9PA   Ch602 6722  -8.057   5.918  -3.013
    9PA    H603 6723  -7.969   5.981  -3.017
    9PA    H604 6724  -8.094   5.923  -2.910
    9PA    N605 6725  -8.149   5.975  -3.110
    9PA   Hn606 6726  -8.118   6.010  -3.200
    9PA   Ca607 6727  -8.265   6.037  -3.090
    9PA    O608 6728  -8.339   5.991  -3.002
    9PA   Ch609 6729  -8.287   6.175  -3.150
    9PA    H610 6730  -8.199   6.204  -3.207
    9PA    H611 6731  -8.376   6.156  -3.210
    9PA   Ch612 6732  -8.328   6.298  -3.070
    9PA    H613 6733  -8.382   6.273  -2.978
    9PA    H614 6734  -8.411   6.357  -3.110
    9PA   Ch615 6735  -8.207   6.384  -3.035
    9PA    H616 6736  -8.120   6.319  -3.025
    9PA    H617 6737  -8.188   6.447  -3.121
    9PA   Ch618 6738  -8.226   6.484  -2.922
    9PA    H619 6739  -8.251   6.424  -2.834
    9PA    H620 6740  -8.315   6.540  -2.951
    9PA   Ca621 6741  -8.103   6.567  -2.888
    9PA    O622 6742  -8.083   6.665  -2.959
    9PA    N623 6743  -8.072   6.568  -2.758
    9PA   Hn624 6744  -8.038   6.474  -2.752
    9PA   Ch625 6745  -8.080   6.645  -2.636
    9PA    H626 6746  -7.985   6.659  -2.584
    9PA    H627 6747  -8.110   6.748  -2.658
    9PA   Ch628 6748  -8.165   6.556  -2.546
    9PA    H629 6749  -8.244   6.498  -2.596
    9PA    H630 6750  -8.217   6.636  -2.493
    9PA   Ch631 6751  -8.087   6.447  -2.475
    9PA    H632 6752  -8.016   6.385  -2.529
    9PA    H633 6753  -8.020   6.503  -2.409
    9PA   Ch634 6754  -8.177   6.377  -2.374
    9PA    H635 6755  -8.262   6.327  -2.420
    9PA    H636 6756  -8.218   6.445  -2.299
    9PA   Ch637 6757  -8.112   6.254  -2.313
    9PA    H638 6758  -8.092   6.172  -2.382
    9PA    H639 6759  -8.012   6.273  -2.274
    9PA   Ch640 6760  -8.196   6.209  -2.194
    9PA    H641 6761  -8.298   6.224  -2.232
    9PA    H642 6762  -8.192   6.279  -2.111
    9PA    N643 6763  -8.138   6.090  -2.135
    9PA   Hn644 6764  -8.039   6.083  -2.149
    9PA   Ca645 6765  -8.187   5.978  -2.081
    9PA    O646 6766  -8.228   5.989  -1.966
    9PA   Ch647 6767  -8.189   5.854  -2.169
    9PA    H648 6768  -8.268   5.792  -2.124
    9PA    H649 6769  -8.231   5.902  -2.257
    9PA   Ch650 6770  -8.049   5.794  -2.163
    9PA    H651 6771  -7.978   5.782  -2.081
    9PA    H652 6772  -7.988   5.827  -2.247
    9PA   Ch653 6773  -8.053   5.648  -2.209
    9PA    H654 6774  -7.957   5.605  -2.179
    9PA    H655 6775  -8.130   5.590  -2.158
    9PA   Ch656 6776  -8.079   5.628  -2.358
    9PA    H657 6777  -8.012   5.687  -2.420
    9PA    H658 6778  -8.166   5.693  -2.366
    9PA   Ca659 6779  -8.091   5.485  -2.411
    9PA    O660 6780  -8.182   5.456  -2.488
    9PA    N661 6781  -7.982   5.410  -2.406
    9PA   Hn662 6782  -7.930   5.437  -2.323
    9PA   Ch663 6783  -7.892   5.388  -2.518
    9PA    H664 6784  -7.893   5.290  -2.566
    9PA    H665 6785  -7.890   5.465  -2.595
    9PA   Ch666 6786  -7.754   5.375  -2.454
    9PA    H667 6787  -7.742   5.287  -2.391
    9PA    H668 6788  -7.739   5.448  -2.375
    9PA   Ch669 6789  -7.641   5.367  -2.556
    9PA    H670 6790  -7.661   5.275  -2.611
    9PA    H671 6791  -7.622   5.456  -2.616
    9PA   Ch672 6792  -7.506   5.331  -2.497
    9PA    H673 6793  -7.474   5.231  -2.527
    9PA    H674 6794  -7.515   5.322  -2.388
    9PA   Ch675 6795  -7.375   5.395  -2.541
    9PA    H676 6796  -7.312   5.337  -2.473
    9PA    H677 6797  -7.343   5.357  -2.638
    9PA   Ch678 6798  -7.369   5.544  -2.515
    9PA    H679 6799  -7.446   5.590  -2.454
    9PA    H680 6800  -7.383   5.581  -2.616
    9PA    N681 6801  -7.230   5.585  -2.500
    9PA   Hn682 6802  -7.199   5.589  -2.404
    9PA   Ca683 6803  -7.173   5.687  -2.564
    9PA    O684 6804  -7.167   5.684  -2.687
    9PA   Ch685 6805  -7.126   5.812  -2.491
    9PA    H686 6806  -7.102   5.882  -2.571
    9PA    H687 6807  -7.196   5.868  -2.429
    9PA   Ch688 6808  -6.989   5.805  -2.425
    9PA    H689 6809  -6.903   5.861  -2.462
    9PA    H690 6810  -6.942   5.710  -2.450
    9PA   Ch691 6811  -6.983   5.837  -2.276
    9PA    H692 6812  -6.999   5.945  -2.267
    9PA    H693 6813  -7.071   5.804  -2.221
    9PA   Ch694 6814  -6.857   5.811  -2.195
    9PA    H695 6815  -6.771   5.866  -2.236
    9PA    H696 6816  -6.830   5.707  -2.210
    9PA   Ca697 6817  -6.850   5.858  -2.050
    9PA    O698 6818  -6.853   5.769  -1.965
    9PA    N699 6819  -6.818   5.981  -2.009
    9PA   Hn700 6820  -6.898   6.043  -2.012
    9PA   Ch701 6821  -6.689   6.035  -1.971
    9PA    H702 6822  -6.617   5.954  -1.958
    9PA    H703 6823  -6.652   6.109  -2.042
    9PA   Ch704 6824  -6.704   6.124  -1.849
    9PA    H705 6825  -6.721   6.066  -1.758
    9PA    H706 6826  -6.785   6.194  -1.869
    9PA   Ch707 6827  -6.587   6.201  -1.789
    9PA    H708 6828  -6.518   6.127  -1.748
    9PA    H709 6829  -6.549   6.264  -1.870
    9PA   Ch710 6830  -6.624   6.294  -1.675
    9PA    H711 6831  -6.730   6.276  -1.662
    9PA    H712 6832  -6.609   6.391  -1.723
    9PA   Ch713 6833  -6.523   6.307  -1.562
    9PA    H714 6834  -6.472   6.212  -1.542
    9PA    H715 6835  -6.448   6.369  -1.611
    9PA   Ch716 6836  -6.572   6.383  -1.439
    9PA    H717 6837  -6.592   6.488  -1.458
    9PA    H718 6838  -6.478   6.400  -1.388
    9PA    N719 6839  -6.676   6.327  -1.356
    9PA   Hn720 6840  -6.666   6.230  -1.328
    9PA   Ca721 6841  -6.727   6.395  -1.252
    9PA    O722 6842  -6.840   6.442  -1.262
    9PA   Ch723 6843  -6.669   6.391  -1.111
    9PA    H724 6844  -6.739   6.442  -1.045
    9PA    H725 6845  -6.672   6.284  -1.090
    9PA   Ch726 6846  -6.521   6.423  -1.095
    9PA    H727 6847  -6.468   6.346  -1.151
    9PA    H728 6848  -6.533   6.395  -0.990
    9PA   Ch729 6849  -6.489   6.571  -1.113
    9PA    H730 6850  -6.565   6.615  -1.178
    9PA    H731 6851  -6.397   6.558  -1.170
    9PA   Ch732 6852  -6.431   6.657  -1.001
    9PA    H733 6853  -6.329   6.681  -1.032
    9PA    H734 6854  -6.375   6.618  -0.917
    9PA   Ca735 6855  -6.490   6.795  -0.978
    9PA    O736 6856  -6.521   6.875  -1.067
    9PA    N737 6857  -6.577   6.809  -0.878
    9PA   Hn738 6858  -6.656   6.751  -0.899
    9PA   Ch739 6859  -6.552   6.885  -0.757
    9PA    H740 6860  -6.473   6.842  -0.695
    9PA    H741 6861  -6.512   6.983  -0.784
    9PA   Ch742 6862  -6.679   6.933  -0.689
    9PA    H743 6863  -6.743   6.848  -0.665
    9PA    H744 6864  -6.743   6.955  -0.774
    9PA   Ch745 6865  -6.673   7.055  -0.598
    9PA    H746 6866  -6.600   7.038  -0.519
    9PA    H747 6867  -6.658   7.143  -0.661
    9PA   Ch748 6868  -6.796   7.108  -0.524
    9PA    H749 6869  -6.871   7.095  -0.602
    9PA    H750 6870  -6.786   7.214  -0.499
    9PA   Ch751 6871  -6.833   7.041  -0.393
    9PA    H752 6872  -6.941   7.049  -0.383
    9PA    H753 6873  -6.808   6.936  -0.410
    9PA   Ch754 6874  -6.759   7.085  -0.267
    9PA    H755 6875  -6.742   7.193  -0.268
    9PA    H756 6876  -6.662   7.038  -0.254
    9PA    N757 6877  -6.818   7.028  -0.147
    9PA   Hn758 6878  -6.884   6.952  -0.159
    9PA   Ca759 6879  -6.782   7.036  -0.019
    9PA    O760 6880  -6.770   7.151   0.022
    9PA   Ch761 6881  -6.696   6.915   0.015
    9PA    H762 6882  -6.692   6.890   0.121
    9PA    H763 6883  -6.718   6.819  -0.032
    9PA    H764 6884  -9.904   4.435 -11.882
    9PA    H765 6885  -6.592   6.948   0.009
   10PA     Ch1 6886  10.412  -8.468   4.714
   10PA      H2 6887  10.477  -8.493   4.798
   10PA      H3 6888  10.328  -8.408   4.749
   10PA     Ch4 6889  10.341  -8.573   4.630
   10PA      H5 6890  10.331  -8.541   4.526
   10PA      H6 6891  10.238  -8.584   4.664
   10PA     Ch7 6892  10.385  -8.717   4.650
   10PA      H8 6893  10.374  -8.761   4.750
   10PA      H9 6894  10.324  -8.761   4.571
   10PA    Ch10 6895  10.529  -8.751   4.610
   10PA     H11 6896  10.604  -8.704   4.673
   10PA     H12 6897  10.551  -8.709   4.512
   10PA    Ca13 6898  10.564  -8.896   4.584
   10PA     O14 6899  10.475  -8.977   4.610
   10PA     N15 6900  10.670  -8.927   4.508
   10PA    Hn16 6901  10.752  -8.870   4.529
   10PA    Ch17 6902  10.665  -8.967   4.369
   10PA     H18 6903  10.680  -9.075   4.368
   10PA     H19 6904  10.575  -8.942   4.313
   10PA    Ch20 6905  10.784  -8.911   4.292
   10PA     H21 6906  10.872  -8.974   4.283
   10PA     H22 6907  10.826  -8.824   4.342
   10PA    Ch23 6908  10.744  -8.852   4.157
   10PA     H24 6909  10.695  -8.930   4.099
   10PA     H25 6910  10.684  -8.762   4.169
   10PA    Ch26 6911  10.848  -8.851   4.045
   10PA     H27 6912  10.881  -8.954   4.031
   10PA     H28 6913  10.933  -8.789   4.075
   10PA    Ch29 6914  10.789  -8.799   3.914
   10PA     H30 6915  10.739  -8.883   3.866
   10PA     H31 6916  10.710  -8.726   3.927
   10PA    Ch32 6917  10.899  -8.739   3.827
   10PA     H33 6918  10.978  -8.813   3.839
   10PA     H34 6919  10.949  -8.655   3.874
   10PA     N35 6920  10.857  -8.728   3.688
   10PA    Hn36 6921  10.771  -8.676   3.699
   10PA    Ca37 6922  10.896  -8.770   3.568
   10PA     O38 6923  11.017  -8.764   3.550
   10PA    Ch39 6924  10.821  -8.873   3.485
   10PA     H40 6925  10.894  -8.949   3.458
   10PA     H41 6926  10.740  -8.912   3.546
   10PA    Ch42 6927  10.754  -8.827   3.356
   10PA     H43 6928  10.842  -8.781   3.310
   10PA     H44 6929  10.695  -8.740   3.385
   10PA    Ch45 6930  10.688  -8.923   3.257
   10PA     H46 6931  10.751  -8.990   3.198
   10PA     H47 6932  10.607  -8.974   3.309
   10PA    Ch48 6933  10.605  -8.848   3.154
   10PA     H49 6934  10.671  -8.789   3.091
   10PA     H50 6935  10.545  -8.768   3.198
   10PA    Ca51 6936  10.526  -8.925   3.049
   10PA     O52 6937  10.413  -8.960   3.082
   10PA     N53 6938  10.594  -8.963   2.940
   10PA    Hn54 6939  10.670  -8.898   2.925
   10PA    Ch55 6940  10.613  -9.101   2.899
   10PA     H56 6941  10.705  -9.143   2.939
   10PA     H57 6942  10.525  -9.163   2.920
   10PA    Ch58 6943  10.629  -9.117   2.748
   10PA     H59 6944  10.703  -9.058   2.694
   10PA     H60 6945  10.536  -9.070   2.715
   10PA    Ch61 6946  10.663  -9.257   2.699
   10PA     H62 6947  10.755  -9.252   2.641
   10PA     H63 6948  10.715  -9.291   2.788
   10PA    Ch64 6949  10.578  -9.342   2.605
   10PA     H65 6950  10.630  -9.434   2.575
   10PA     H66 6951  10.558  -9.284   2.515
   10PA    Ch67 6952  10.441  -9.385   2.656
   10PA     H68 6953  10.448  -9.428   2.756
   10PA     H69 6954  10.370  -9.309   2.623
   10PA    Ch70 6955  10.359  -9.475   2.564
   10PA     H71 6956  10.383  -9.456   2.459
   10PA     H72 6957  10.256  -9.479   2.599
   10PA     N73 6958  10.385  -9.616   2.577
   10PA    Hn74 6959  10.452  -9.659   2.639
   10PA    Ca75 6960  10.385  -9.697   2.471
   10PA     O76 6961  10.284  -9.753   2.428
   10PA    Ch77 6962  10.517  -9.743   2.411
   10PA     H78 6963  10.606  -9.722   2.472
   10PA     H79 6964  10.515  -9.852   2.413
   10PA    Ch80 6965  10.541  -9.691   2.270
   10PA     H81 6966  10.572  -9.590   2.295
   10PA     H82 6967  10.450  -9.694   2.209
   10PA    Ch83 6968  10.641  -9.777   2.194
   10PA     H84 6969  10.741  -9.757   2.231
   10PA     H85 6970  10.621  -9.885   2.200
   10PA    Ch86 6971  10.673  -9.736   2.051
   10PA     H87 6972  10.781  -9.753   2.047
   10PA     H88 6973  10.635  -9.640   2.017
   10PA    Ca89 6974  10.605  -9.828   1.950
   10PA     O90 6975  10.515  -9.908   1.971
   10PA     N91 6976  10.652  -9.812   1.826
   10PA    Hn92 6977  10.627  -9.715   1.809
   10PA    Ch93 6978  10.731  -9.890   1.733
   10PA     H94 6979  10.817  -9.831   1.703
   10PA     H95 6980  10.738  -9.990   1.778
   10PA    Ch96 6981  10.648  -9.926   1.611
   10PA     H97 6982  10.597  -9.843   1.563
   10PA     H98 6983  10.576 -10.000   1.648
   10PA    Ch99 6984  10.716 -10.007   1.501
   10PA    H100 6985  10.744 -10.094   1.560
   10PA    H101 6986  10.653 -10.047   1.421
   10PA   Ch102 6987  10.846  -9.955   1.441
   10PA    H103 6988  10.913  -9.922   1.520
   10PA    H104 6989  10.825  -9.857   1.397
   10PA   Ch105 6990  10.902 -10.040   1.328
   10PA    H106 6991  10.892 -10.143   1.361
   10PA    H107 6992  10.857 -10.039   1.229
   10PA   Ch108 6993  11.051 -10.016   1.308
   10PA    H109 6994  11.110 -10.107   1.316
   10PA    H110 6995  11.088  -9.971   1.400
   10PA    N111 6996  11.094  -9.928   1.200
   10PA   Hn112 6997  11.029  -9.858   1.167
   10PA   Ca113 6998  11.147  -9.957   1.081
   10PA    O114 6999  11.266  -9.977   1.061
   10PA   Ch115 7000  11.052  -9.948   0.962
   10PA    H116 7001  10.952  -9.937   1.006
   10PA    H117 7002  11.084  -9.852   0.922
   10PA   Ch118 7003  11.034 -10.062   0.863
   10PA    H119 7004  11.002 -10.153   0.914
   10PA    H120 7005  11.133 -10.072   0.819
   10PA   Ch121 7006  10.948 -10.047   0.738
   10PA    H122 7007  10.984  -9.966   0.674
   10PA    H123 7008  10.967 -10.140   0.686
   10PA   Ch124 7009  10.798 -10.071   0.732
   10PA    H125 7010  10.760 -10.136   0.812
   10PA    H126 7011  10.776 -10.123   0.639
   10PA   Ca127 7012  10.690  -9.965   0.737
   10PA    O128 7013  10.580  -9.990   0.687
   10PA    N129 7014  10.702  -9.870   0.831
   10PA   Hn130 7015  10.766  -9.800   0.797
   10PA   Ch131 7016  10.662  -9.865   0.970
   10PA    H132 7017  10.562  -9.907   0.986
   10PA    H133 7018  10.733  -9.928   1.023
   10PA   Ch134 7019  10.662  -9.720   1.016
   10PA    H135 7020  10.568  -9.681   0.977
   10PA    H136 7021  10.754  -9.677   0.975
   10PA   Ch137 7022  10.671  -9.682   1.163
   10PA    H138 7023  10.755  -9.741   1.200
   10PA    H139 7024  10.681  -9.573   1.161
   10PA   Ch140 7025  10.545  -9.724   1.236
   10PA    H141 7026  10.554  -9.829   1.266
   10PA    H142 7027  10.456  -9.705   1.176
   10PA   Ch143 7028  10.520  -9.646   1.365
   10PA    H144 7029  10.608  -9.646   1.428
   10PA    H145 7030  10.501  -9.541   1.342
   10PA   Ch146 7031  10.394  -9.697   1.433
   10PA    H147 7032  10.402  -9.800   1.469
   10PA    H148 7033  10.300  -9.700   1.378
   10PA    N149 7034  10.365  -9.608   1.544
   10PA   Hn150 7035  10.273  -9.568   1.548
   10PA   Ca151 7036  10.415  -9.619   1.667
   10PA    O152 7037  10.529  -9.585   1.696
   10PA   Ch153 7038  10.333  -9.659   1.790
   10PA    H154 7039  10.383  -9.674   1.885
   10PA    H155 7040  10.278  -9.570   1.821
   10PA   Ch156 7041  10.238  -9.778   1.792
   10PA    H157 7042  10.305  -9.863   1.798
   10PA    H158 7043  10.199  -9.784   1.691
   10PA   Ch159 7044  10.126  -9.789   1.895
   10PA    H160 7045  10.057  -9.705   1.892
   10PA    H161 7046  10.082  -9.885   1.868
   10PA   Ch162 7047  10.166  -9.813   2.040
   10PA    H163 7048  10.224  -9.726   2.072
   10PA    H164 7049  10.246  -9.886   2.054
   10PA   Ca165 7050  10.047  -9.833   2.132
   10PA    O166 7051   9.989  -9.732   2.172
   10PA    N167 7052  10.041  -9.939   2.213
   10PA   Hn168 7053  10.123  -9.935   2.272
   10PA   Ch169 7054   9.971 -10.066   2.209
   10PA    H170 7055   9.864 -10.053   2.227
   10PA    H171 7056   9.978 -10.117   2.113
   10PA   Ch172 7057  10.037 -10.153   2.316
   10PA    H173 7058  10.070 -10.111   2.411
   10PA    H174 7059  10.134 -10.186   2.281
   10PA   Ch175 7060   9.966 -10.287   2.331
   10PA    H176 7061   9.873 -10.239   2.361
   10PA    H177 7062   9.957 -10.353   2.245
   10PA   Ch178 7063  10.032 -10.353   2.452
   10PA    H179 7064  10.115 -10.301   2.499
   10PA    H180 7065  10.092 -10.437   2.416
   10PA   Ch181 7066   9.922 -10.403   2.544
   10PA    H182 7067   9.893 -10.309   2.590
   10PA    H183 7068   9.851 -10.454   2.479
   10PA   Ch184 7069   9.961 -10.488   2.664
   10PA    H185 7070  10.052 -10.448   2.710
   10PA    H186 7071   9.988 -10.590   2.635
   10PA    N187 7072   9.851 -10.490   2.759
   10PA   Hn188 7073   9.830 -10.394   2.784
   10PA   Ca189 7074   9.740 -10.561   2.737
   10PA    O190 7075   9.753 -10.683   2.744
   10PA   Ch191 7076   9.614 -10.477   2.716
   10PA    H192 7077   9.571 -10.445   2.810
   10PA    H193 7078   9.641 -10.390   2.656
   10PA   Ch194 7079   9.501 -10.532   2.630
   10PA    H195 7080   9.553 -10.596   2.559
   10PA    H196 7081   9.437 -10.449   2.596
   10PA   Ch197 7082   9.391 -10.604   2.707
   10PA    H198 7083   9.452 -10.633   2.792
   10PA    H199 7084   9.317 -10.536   2.750
   10PA   Ch200 7085   9.345 -10.725   2.626
   10PA    H201 7086   9.424 -10.783   2.576
   10PA    H202 7087   9.319 -10.697   2.524
   10PA   Ca203 7088   9.212 -10.788   2.662
   10PA    O204 7089   9.112 -10.725   2.697
   10PA    N205 7090   9.222 -10.921   2.663
   10PA   Hn206 7091   9.315 -10.918   2.703
   10PA   Ch207 7092   9.164 -11.021   2.575
   10PA    H208 7093   9.060 -10.995   2.554
   10PA    H209 7094   9.209 -10.999   2.478
   10PA   Ch210 7095   9.185 -11.155   2.644
   10PA    H211 7096   9.156 -11.151   2.750
   10PA    H212 7097   9.292 -11.170   2.631
   10PA   Ch213 7098   9.108 -11.272   2.585
   10PA    H214 7099   9.103 -11.264   2.476
   10PA    H215 7100   9.175 -11.357   2.600
   10PA   Ch216 7101   8.962 -11.298   2.623
   10PA    H217 7102   8.904 -11.230   2.560
   10PA    H218 7103   8.952 -11.252   2.721
   10PA   Ch219 7104   8.920 -11.441   2.592
   10PA    H220 7105   8.840 -11.438   2.519
   10PA    H221 7106   9.001 -11.505   2.558
   10PA   Ch222 7107   8.844 -11.515   2.702
   10PA    H223 7108   8.769 -11.468   2.766
   10PA    H224 7109   8.923 -11.536   2.775
   10PA    N225 7110   8.802 -11.644   2.652
   10PA   Hn226 7111   8.803 -11.718   2.720
   10PA   Ca227 7112   8.703 -11.706   2.588
   10PA    O228 7113   8.692 -11.675   2.470
   10PA   Ch229 7114   8.596 -11.783   2.665
   10PA    H230 7115   8.628 -11.787   2.769
   10PA    H231 7116   8.519 -11.706   2.664
   10PA   Ch232 7117   8.546 -11.916   2.610
   10PA    H233 7118   8.596 -11.991   2.671
   10PA    H234 7119   8.591 -11.910   2.510
   10PA   Ch235 7120   8.395 -11.918   2.596
   10PA    H236 7121   8.359 -11.893   2.697
   10PA    H237 7122   8.379 -11.846   2.516
   10PA   Ch238 7123   8.338 -12.054   2.557
   10PA    H239 7124   8.330 -12.097   2.657
   10PA    H240 7125   8.407 -12.113   2.496
   10PA   Ca241 7126   8.195 -12.049   2.506
   10PA    O242 7127   8.171 -12.053   2.386
   10PA    N243 7128   8.098 -12.026   2.596
   10PA   Hn244 7129   8.144 -11.949   2.643
   10PA   Ch245 7130   8.020 -12.108   2.686
   10PA    H246 7131   7.958 -12.165   2.617
   10PA    H247 7132   8.076 -12.188   2.736
   10PA   Ch248 7133   7.931 -12.027   2.779
   10PA    H249 7134   7.882 -11.949   2.720
   10PA    H250 7135   8.015 -11.983   2.833
   10PA   Ch251 7136   7.843 -12.113   2.868
   10PA    H252 7137   7.856 -12.219   2.848
   10PA    H253 7138   7.879 -12.096   2.970
   10PA   Ch254 7139   7.696 -12.078   2.851
   10PA    H255 7140   7.655 -12.106   2.754
   10PA    H256 7141   7.666 -11.973   2.859
   10PA   Ch257 7142   7.616 -12.173   2.939
   10PA    H258 7143   7.656 -12.236   3.019
   10PA    H259 7144   7.546 -12.100   2.980
   10PA   Ch260 7145   7.545 -12.275   2.851
   10PA    H261 7146   7.615 -12.356   2.832
   10PA    H262 7147   7.508 -12.247   2.752
   10PA    N263 7148   7.443 -12.333   2.936
   10PA   Hn264 7149   7.451 -12.304   3.032
   10PA   Ca265 7150   7.389 -12.454   2.926
   10PA    O266 7151   7.313 -12.478   2.833
   10PA   Ch267 7152   7.436 -12.565   3.019
   10PA    H268 7153   7.444 -12.662   2.968
   10PA    H269 7154   7.538 -12.539   3.048
   10PA   Ch270 7155   7.358 -12.588   3.148
   10PA    H271 7156   7.268 -12.644   3.122
   10PA    H272 7157   7.314 -12.490   3.167
   10PA   Ch273 7158   7.425 -12.654   3.267
   10PA    H274 7159   7.513 -12.592   3.285
   10PA    H275 7160   7.367 -12.644   3.359
   10PA   Ch276 7161   7.446 -12.804   3.284
   10PA    H277 7162   7.352 -12.859   3.287
   10PA    H278 7163   7.487 -12.806   3.385
   10PA   Ca279 7164   7.530 -12.872   3.178
   10PA    O280 7165   7.472 -12.919   3.080
   10PA    N281 7166   7.627 -12.946   3.232
   10PA   Hn282 7167   7.694 -12.886   3.278
   10PA   Ch283 7168   7.632 -13.082   3.282
   10PA    H284 7169   7.616 -13.063   3.389
   10PA    H285 7170   7.556 -13.144   3.233
   10PA   Ch286 7171   7.763 -13.136   3.226
   10PA    H287 7172   7.849 -13.070   3.229
   10PA    H288 7173   7.759 -13.153   3.118
   10PA   Ch289 7174   7.807 -13.267   3.290
   10PA    H290 7175   7.849 -13.234   3.385
   10PA    H291 7176   7.720 -13.334   3.293
   10PA   Ch292 7177   7.920 -13.341   3.220
   10PA    H293 7178   8.008 -13.285   3.188
   10PA    H294 7179   7.883 -13.381   3.126
   10PA   Ch295 7180   7.967 -13.464   3.295
   10PA    H296 7181   8.028 -13.421   3.375
   10PA    H297 7182   7.899 -13.528   3.352
   10PA   Ch298 7183   8.037 -13.565   3.205
   10PA    H299 7184   8.115 -13.493   3.179
   10PA    H300 7185   7.970 -13.594   3.124
   10PA    N301 7186   8.084 -13.681   3.277
   10PA   Hn302 7187   8.050 -13.690   3.372
   10PA   Ca303 7188   8.137 -13.795   3.232
   10PA    O304 7189   8.259 -13.790   3.217
   10PA   Ch305 7190   8.051 -13.920   3.237
   10PA    H306 7191   8.078 -13.958   3.335
   10PA    H307 7192   7.946 -13.895   3.219
   10PA   Ch308 7193   8.093 -14.052   3.172
   10PA    H309 7194   8.142 -14.122   3.240
   10PA    H310 7195   8.140 -14.050   3.074
   10PA   Ch311 7196   7.972 -14.143   3.158
   10PA    H312 7197   7.943 -14.192   3.252
   10PA    H313 7198   7.894 -14.073   3.130
   10PA   Ch314 7199   7.977 -14.248   3.048
   10PA    H315 7200   8.074 -14.261   3.001
   10PA    H316 7201   7.939 -14.201   2.957
   10PA   Ca317 7202   7.933 -14.385   3.099
   10PA    O318 7203   7.819 -14.422   3.070
   10PA    N319 7204   8.025 -14.477   3.126
   10PA   Hn320 7205   8.047 -14.454   3.222
   10PA   Ch321 7206   8.100 -14.580   3.056
   10PA    H322 7207   8.082 -14.679   3.098
   10PA    H323 7208   8.076 -14.593   2.951
   10PA   Ch324 7209   8.250 -14.557   3.072
   10PA    H325 7210   8.266 -14.622   3.158
   10PA    H326 7211   8.281 -14.457   3.104
   10PA   Ch327 7212   8.346 -14.637   2.986
   10PA    H328 7213   8.297 -14.732   2.967
   10PA    H329 7214   8.332 -14.570   2.901
   10PA   Ch330 7215   8.492 -14.628   3.030
   10PA    H331 7216   8.518 -14.525   3.053
   10PA    H332 7217   8.551 -14.652   2.941
   10PA   Ch333 7218   8.553 -14.717   3.137
   10PA    H334 7219   8.517 -14.820   3.132
   10PA    H335 7220   8.659 -14.742   3.126
   10PA   Ch336 7221   8.544 -14.663   3.279
   10PA    H337 7222   8.443 -14.642   3.313
   10PA    H338 7223   8.594 -14.566   3.288
   10PA    N339 7224   8.603 -14.773   3.352
   10PA   Hn340 7225   8.576 -14.866   3.322
   10PA   Ca341 7226   8.702 -14.762   3.441
   10PA    O342 7227   8.670 -14.722   3.553
   10PA   Ch343 7228   8.843 -14.808   3.405
   10PA    H344 7229   8.842 -14.818   3.296
   10PA    H345 7230   8.910 -14.729   3.439
   10PA   Ch346 7231   8.871 -14.945   3.465
   10PA    H347 7232   8.841 -14.941   3.569
   10PA    H348 7233   8.978 -14.962   3.479
   10PA   Ch349 7234   8.838 -15.049   3.359
   10PA    H350 7235   8.810 -15.003   3.263
   10PA    H351 7236   8.928 -15.107   3.335
   10PA   Ch352 7237   8.712 -15.132   3.379
   10PA    H353 7238   8.645 -15.076   3.444
   10PA    H354 7239   8.718 -15.228   3.430
   10PA   Ca355 7240   8.626 -15.166   3.258
   10PA    O356 7241   8.565 -15.066   3.223
   10PA    N357 7242   8.570 -15.288   3.262
   10PA   Hn358 7243   8.641 -15.354   3.233
   10PA   Ch359 7244   8.439 -15.331   3.304
   10PA    H360 7245   8.389 -15.252   3.362
   10PA    H361 7246   8.380 -15.372   3.222
   10PA   Ch362 7247   8.488 -15.440   3.398
   10PA    H363 7248   8.508 -15.397   3.496
   10PA    H364 7249   8.566 -15.504   3.354
   10PA   Ch365 7250   8.395 -15.542   3.461
   10PA    H366 7251   8.354 -15.597   3.376
   10PA    H367 7252   8.459 -15.613   3.513
   10PA   Ch368 7253   8.279 -15.499   3.551
   10PA    H369 7254   8.207 -15.442   3.493
   10PA    H370 7255   8.313 -15.426   3.625
   10PA   Ch371 7256   8.210 -15.614   3.623
   10PA    H372 7257   8.168 -15.670   3.540
   10PA    H373 7258   8.281 -15.695   3.642
   10PA   Ch374 7259   8.130 -15.549   3.735
   10PA    H375 7260   8.031 -15.525   3.696
   10PA    H376 7261   8.180 -15.456   3.766
   10PA    N377 7262   8.093 -15.649   3.833
   10PA   Hn378 7263   8.091 -15.747   3.809
   10PA   Ca379 7264   8.060 -15.644   3.962
   10PA    O380 7265   8.152 -15.607   4.033
   10PA   Ch381 7266   7.921 -15.654   4.024
   10PA    H382 7267   7.894 -15.563   4.079
   10PA    H383 7268   7.851 -15.649   3.941
   10PA   Ch384 7269   7.901 -15.787   4.095
   10PA    H385 7270   7.976 -15.857   4.060
   10PA    H386 7271   7.807 -15.821   4.052
   10PA   Ch387 7272   7.884 -15.780   4.246
   10PA    H388 7273   7.787 -15.784   4.294
   10PA    H389 7274   7.915 -15.880   4.275
   10PA   Ch390 7275   7.973 -15.701   4.342
   10PA    H391 7276   7.977 -15.609   4.284
   10PA    H392 7277   8.075 -15.737   4.331
   10PA   Ca393 7278   7.925 -15.662   4.481
   10PA    O394 7279   7.944 -15.549   4.526
   10PA    N395 7280   7.835 -15.737   4.545
   10PA   Hn396 7281   7.871 -15.829   4.525
   10PA   Ch397 7282   7.691 -15.730   4.540
   10PA    H398 7283   7.670 -15.700   4.642
   10PA    H399 7284   7.653 -15.649   4.477
   10PA   Ch400 7285   7.637 -15.871   4.517
   10PA    H401 7286   7.682 -15.928   4.599
   10PA    H402 7287   7.686 -15.908   4.427
   10PA   Ch403 7288   7.488 -15.887   4.493
   10PA    H404 7289   7.453 -15.838   4.402
   10PA    H405 7290   7.468 -15.994   4.491
   10PA   Ch406 7291   7.406 -15.843   4.614
   10PA    H407 7292   7.428 -15.737   4.633
   10PA    H408 7293   7.435 -15.894   4.706
   10PA   Ch409 7294   7.256 -15.855   4.590
   10PA    H410 7295   7.249 -15.763   4.532
   10PA    H411 7296   7.218 -15.934   4.524
   10PA   Ch412 7297   7.165 -15.827   4.709
   10PA    H413 7298   7.210 -15.741   4.759
   10PA    H414 7299   7.186 -15.917   4.767
   10PA    N415 7300   7.027 -15.785   4.695
   10PA   Hn416 7301   7.014 -15.729   4.612
   10PA   Ca417 7302   6.913 -15.846   4.727
   10PA    O418 7303   6.846 -15.790   4.813
   10PA   Ch419 7304   6.841 -15.941   4.631
   10PA    H420 7305   6.906 -15.979   4.552
   10PA    H421 7306   6.832 -16.037   4.681
   10PA   Ch422 7307   6.707 -15.907   4.567
   10PA    H423 7308   6.661 -15.955   4.481
   10PA    H424 7309   6.732 -15.806   4.535
   10PA   Ch425 7310   6.589 -15.915   4.663
   10PA    H426 7311   6.584 -16.012   4.713
   10PA    H427 7312   6.591 -15.828   4.729
   10PA   Ch428 7313   6.454 -15.902   4.593
   10PA    H429 7314   6.453 -15.938   4.490
   10PA    H430 7315   6.423 -15.799   4.574
   10PA   Ca431 7316   6.338 -15.978   4.655
   10PA    O432 7317   6.286 -15.922   4.751
   10PA    N433 7318   6.266 -16.064   4.583
   10PA   Hn434 7319   6.341 -16.106   4.530
   10PA   Ch435 7320   6.142 -16.056   4.508
   10PA    H436 7321   6.063 -16.072   4.581
   10PA    H437 7322   6.135 -15.955   4.466
   10PA   Ch438 7323   6.122 -16.171   4.410
   10PA    H439 7324   6.064 -16.241   4.470
   10PA    H440 7325   6.217 -16.203   4.368
   10PA   Ch441 7326   6.034 -16.157   4.287
   10PA    H442 7327   5.943 -16.121   4.337
   10PA    H443 7328   6.069 -16.081   4.217
   10PA   Ch444 7329   5.996 -16.287   4.217
   10PA    H445 7330   5.901 -16.265   4.169
   10PA    H446 7331   5.950 -16.346   4.296
   10PA   Ch447 7332   6.103 -16.370   4.149
   10PA    H448 7333   6.138 -16.314   4.061
   10PA    H449 7334   6.173 -16.385   4.231
   10PA   Ch450 7335   6.050 -16.500   4.090
   10PA    H451 7336   6.006 -16.489   3.991
   10PA    H452 7337   5.974 -16.552   4.148
   10PA    N453 7338   6.161 -16.594   4.097
   10PA   Hn454 7339   6.194 -16.626   4.187
   10PA   Ca455 7340   6.204 -16.666   3.993
   10PA    O456 7341   6.241 -16.613   3.889
   10PA   Ch457 7342   6.155 -16.810   3.991
   10PA    H458 7343   6.078 -16.803   4.068
   10PA    H459 7344   6.102 -16.838   3.900
   10PA   Ch460 7345   6.265 -16.908   4.031
   10PA    H461 7346   6.353 -16.858   4.072
   10PA    H462 7347   6.297 -16.961   3.942
   10PA   Ch463 7348   6.222 -17.023   4.122
   10PA    H464 7349   6.123 -17.058   4.092
   10PA    H465 7350   6.258 -17.118   4.084
   10PA   Ch466 7351   6.201 -17.015   4.272
   10PA    H467 7352   6.101 -17.000   4.311
   10PA    H468 7353   6.239 -16.914   4.288
   10PA   Ca469 7354   6.264 -17.119   4.364
   10PA    O470 7355   6.386 -17.133   4.363
   10PA    N471 7356   6.195 -17.189   4.456
   10PA   Hn472 7357   6.109 -17.195   4.404
   10PA   Ch473 7358   6.168 -17.171   4.597
   10PA    H474 7359   6.218 -17.095   4.658
   10PA    H475 7360   6.082 -17.108   4.619
   10PA   Ch476 7361   6.171 -17.301   4.676
   10PA    H477 7362   6.258 -17.358   4.644
   10PA    H478 7363   6.107 -17.368   4.619
   10PA   Ch479 7364   6.170 -17.311   4.828
   10PA    H480 7365   6.274 -17.300   4.860
   10PA    H481 7366   6.108 -17.231   4.868
   10PA   Ch482 7367   6.115 -17.442   4.884
   10PA    H483 7368   6.159 -17.519   4.820
   10PA    H484 7369   6.010 -17.439   4.856
   10PA   Ch485 7370   6.166 -17.475   5.024
   10PA    H486 7371   6.275 -17.477   5.016
   10PA    H487 7372   6.165 -17.412   5.112
   10PA   Ch488 7373   6.117 -17.616   5.055
   10PA    H489 7374   6.202 -17.677   5.085
   10PA    H490 7375   6.080 -17.677   4.972
   10PA    N491 7376   6.015 -17.603   5.157
   10PA   Hn492 7377   6.025 -17.544   5.238
   10PA   Ca493 7378   5.910 -17.684   5.173
   10PA    O494 7379   5.921 -17.806   5.177
   10PA   Ch495 7380   5.770 -17.623   5.169
   10PA    H496 7381   5.777 -17.590   5.065
   10PA    H497 7382   5.692 -17.699   5.168
   10PA   Ch498 7383   5.747 -17.514   5.273
   10PA    H499 7384   5.822 -17.436   5.280
   10PA    H500 7385   5.739 -17.569   5.367
   10PA   Ch501 7386   5.603 -17.463   5.274
   10PA    H502 7387   5.594 -17.417   5.176
   10PA    H503 7388   5.541 -17.552   5.264
   10PA   Ch504 7389   5.574 -17.379   5.398
   10PA    H505 7390   5.651 -17.394   5.474
   10PA    H506 7391   5.474 -17.385   5.442
   10PA   Ca507 7392   5.578 -17.230   5.364
   10PA    O508 7393   5.620 -17.161   5.456
   10PA    N509 7394   5.520 -17.167   5.263
   10PA   Hn510 7395   5.575 -17.191   5.181
   10PA   Ch511 7396   5.418 -17.065   5.245
   10PA    H512 7397   5.320 -17.083   5.289
   10PA    H513 7398   5.443 -16.975   5.300
   10PA   Ch514 7399   5.399 -17.024   5.099
   10PA    H515 7400   5.396 -17.124   5.056
   10PA    H516 7401   5.489 -16.996   5.044
   10PA   Ch517 7402   5.283 -16.932   5.063
   10PA    H518 7403   5.306 -16.898   4.962
   10PA    H519 7404   5.186 -16.979   5.079
   10PA   Ch520 7405   5.236 -16.804   5.132
   10PA    H521 7406   5.302 -16.719   5.115
   10PA    H522 7407   5.239 -16.818   5.240
   10PA   Ch523 7408   5.109 -16.742   5.076
   10PA    H524 7409   5.090 -16.653   5.135
   10PA    H525 7410   5.118 -16.708   4.972
   10PA   Ch526 7411   4.978 -16.818   5.081
   10PA    H527 7412   4.961 -16.843   5.186
   10PA    H528 7413   4.989 -16.918   5.039
   10PA    N529 7414   4.873 -16.731   5.032
   10PA   Hn530 7415   4.821 -16.658   5.081
   10PA   Ca531 7416   4.794 -16.714   4.926
   10PA    O532 7417   4.720 -16.807   4.893
   10PA   Ch533 7418   4.853 -16.625   4.818
   10PA    H534 7419   4.885 -16.528   4.858
   10PA    H535 7420   4.933 -16.685   4.774
   10PA   Ch536 7421   4.759 -16.564   4.715
   10PA    H537 7422   4.698 -16.482   4.753
   10PA    H538 7423   4.693 -16.648   4.692
   10PA   Ch539 7424   4.835 -16.527   4.588
   10PA    H540 7425   4.867 -16.624   4.549
   10PA    H541 7426   4.765 -16.495   4.511
   10PA   Ch542 7427   4.946 -16.424   4.601
   10PA    H543 7428   5.009 -16.471   4.526
   10PA    H544 7429   4.993 -16.431   4.699
   10PA   Ca545 7430   4.909 -16.284   4.553
   10PA    O546 7431   4.957 -16.236   4.450
   10PA    N547 7432   4.808 -16.230   4.622
   10PA   Hn548 7433   4.778 -16.322   4.651
   10PA   Ch549 7434   4.816 -16.127   4.723
   10PA    H550 7435   4.797 -16.155   4.827
   10PA    H551 7436   4.914 -16.079   4.724
   10PA   Ch552 7437   4.696 -16.034   4.714
   10PA    H553 7438   4.600 -16.087   4.716
   10PA    H554 7439   4.695 -16.010   4.608
   10PA   Ch555 7440   4.706 -15.922   4.817
   10PA    H556 7441   4.770 -15.950   4.901
   10PA    H557 7442   4.762 -15.837   4.776
   10PA   Ch558 7443   4.586 -15.868   4.894
   10PA    H559 7444   4.568 -15.915   4.991
   10PA    H560 7445   4.496 -15.901   4.843
   10PA   Ch561 7446   4.583 -15.724   4.942
   10PA    H562 7447   4.676 -15.725   4.998
   10PA    H563 7448   4.612 -15.663   4.856
   10PA   Ch564 7449   4.459 -15.687   5.022
   10PA    H565 7450   4.445 -15.761   5.101
   10PA    H566 7451   4.362 -15.692   4.972
   10PA    N567 7452   4.489 -15.556   5.075
   10PA   Hn568 7453   4.576 -15.505   5.064
   10PA   Ca569 7454   4.457 -15.498   5.191
   10PA    O570 7455   4.343 -15.503   5.236
   10PA   Ch571 7456   4.581 -15.444   5.262
   10PA    H572 7457   4.590 -15.336   5.272
   10PA    H573 7458   4.564 -15.468   5.367
   10PA   Ch574 7459   4.719 -15.505   5.245
   10PA    H575 7460   4.762 -15.447   5.163
   10PA    H576 7461   4.719 -15.613   5.229
   10PA   Ch577 7462   4.823 -15.465   5.350
   10PA    H578 7463   4.837 -15.358   5.364
   10PA    H579 7464   4.773 -15.477   5.446
   10PA   Ch580 7465   4.954 -15.542   5.358
   10PA    H581 7466   4.970 -15.586   5.260
   10PA    H582 7467   4.943 -15.631   5.421
   10PA   Ca583 7468   5.076 -15.483   5.426
   10PA    O584 7469   5.186 -15.481   5.371
   10PA    N585 7470   5.058 -15.391   5.522
   10PA   Hn586 7471   4.973 -15.413   5.572
   10PA   Ch587 7472   5.085 -15.251   5.498
   10PA    H588 7473   5.185 -15.237   5.456
   10PA    H589 7474   5.002 -15.191   5.460
   10PA   Ch590 7475   5.120 -15.192   5.634
   10PA    H591 7476   5.213 -15.235   5.672
   10PA    H592 7477   5.048 -15.196   5.716
   10PA   Ch593 7478   5.154 -15.044   5.626
   10PA    H594 7479   5.261 -15.065   5.622
   10PA    H595 7480   5.117 -14.977   5.549
   10PA   Ch596 7481   5.151 -14.971   5.760
   10PA    H597 7482   5.188 -15.049   5.828
   10PA    H598 7483   5.054 -14.933   5.790
   10PA   Ch599 7484   5.228 -14.842   5.784
   10PA    H600 7485   5.208 -14.759   5.715
   10PA    H601 7486   5.180 -14.805   5.875
   10PA   Ch602 7487   5.380 -14.850   5.789
   10PA    H603 7488   5.446 -14.794   5.724
   10PA    H604 7489   5.403 -14.955   5.767
   10PA    N605 7490   5.418 -14.826   5.927
   10PA   Hn606 7491   5.425 -14.732   5.962
   10PA   Ca607 7492   5.491 -14.895   6.015
   10PA    O608 7493   5.431 -14.965   6.097
   10PA   Ch609 7494   5.636 -14.850   6.031
   10PA    H610 7495   5.706 -14.923   5.990
   10PA    H611 7496   5.649 -14.766   5.963
   10PA   Ch612 7497   5.675 -14.797   6.169
   10PA    H613 7498   5.615 -14.843   6.247
   10PA    H614 7499   5.639 -14.694   6.181
   10PA   Ch615 7500   5.824 -14.816   6.189
   10PA    H616 7501   5.838 -14.924   6.189
   10PA    H617 7502   5.867 -14.742   6.121
   10PA   Ch618 7503   5.893 -14.793   6.323
   10PA    H619 7504   5.995 -14.832   6.322
   10PA    H620 7505   5.840 -14.864   6.386
   10PA   Ca621 7506   5.898 -14.663   6.401
   10PA    O622 7507   5.877 -14.560   6.338
   10PA    N623 7508   5.955 -14.663   6.522
   10PA   Hn624 7509   6.030 -14.731   6.523
   10PA   Ch625 7510   5.861 -14.669   6.632
   10PA    H626 7511   5.764 -14.717   6.615
   10PA    H627 7512   5.898 -14.752   6.692
   10PA   Ch628 7513   5.857 -14.529   6.693
   10PA    H629 7514   5.763 -14.474   6.693
   10PA    H630 7515   5.905 -14.458   6.625
   10PA   Ch631 7516   5.885 -14.548   6.841
   10PA    H632 7517   5.816 -14.620   6.885
   10PA    H633 7518   5.979 -14.599   6.860
   10PA   Ch634 7519   5.896 -14.409   6.904
   10PA    H635 7520   5.813 -14.348   6.868
   10PA    H636 7521   5.994 -14.373   6.874
   10PA   Ch637 7522   5.874 -14.401   7.054
   10PA    H638 7523   5.786 -14.337   7.065
   10PA    H639 7524   5.846 -14.493   7.105
   10PA   Ch640 7525   5.998 -14.340   7.117
   10PA    H641 7526   6.018 -14.248   7.063
   10PA    H642 7527   6.093 -14.393   7.111
   10PA    N643 7528   5.978 -14.307   7.257
   10PA   Hn644 7529   5.931 -14.218   7.268
   10PA   Ca645 7530   6.052 -14.335   7.365
   10PA    O646 7531   6.050 -14.447   7.415
   10PA   Ch647 7532   6.114 -14.210   7.426
   10PA    H648 7533   6.039 -14.142   7.466
   10PA    H649 7534   6.149 -14.232   7.527
   10PA   Ch650 7535   6.226 -14.136   7.354
   10PA    H651 7536   6.204 -14.036   7.318
   10PA    H652 7537   6.248 -14.182   7.257
   10PA   Ch653 7538   6.359 -14.143   7.427
   10PA    H654 7539   6.356 -14.069   7.507
   10PA    H655 7540   6.368 -14.239   7.479
   10PA   Ch656 7541   6.482 -14.121   7.340
   10PA    H657 7542   6.491 -14.016   7.313
   10PA    H658 7543   6.490 -14.187   7.253
   10PA   Ca659 7544   6.608 -14.140   7.423
   10PA    O660 7545   6.668 -14.043   7.469
   10PA    N661 7546   6.672 -14.257   7.431
   10PA   Hn662 7547   6.608 -14.332   7.454
   10PA   Ch663 7548   6.795 -14.300   7.368
   10PA    H664 7549   6.759 -14.339   7.273
   10PA    H665 7550   6.857 -14.210   7.368
   10PA   Ch666 7551   6.863 -14.408   7.452
   10PA    H667 7552   6.812 -14.468   7.528
   10PA    H668 7553   6.916 -14.346   7.524
   10PA   Ch669 7554   6.970 -14.474   7.367
   10PA    H670 7555   6.928 -14.561   7.317
   10PA    H671 7556   7.022 -14.413   7.293
   10PA   Ch672 7557   7.087 -14.526   7.449
   10PA    H673 7558   7.073 -14.515   7.556
   10PA    H674 7559   7.175 -14.464   7.430
   10PA   Ch675 7560   7.138 -14.668   7.424
   10PA    H676 7561   7.061 -14.744   7.436
   10PA    H677 7562   7.172 -14.695   7.324
   10PA   Ch678 7563   7.256 -14.691   7.517
   10PA    H679 7564   7.219 -14.674   7.618
   10PA    H680 7565   7.331 -14.624   7.473
   10PA    N681 7566   7.300 -14.829   7.514
   10PA   Hn682 7567   7.332 -14.869   7.427
   10PA   Ca683 7568   7.360 -14.897   7.611
   10PA    O684 7569   7.316 -14.896   7.726
   10PA   Ch685 7570   7.504 -14.937   7.584
   10PA    H686 7571   7.559 -14.843   7.592
   10PA    H687 7572   7.531 -15.000   7.669
   10PA   Ch688 7573   7.569 -14.989   7.456
   10PA    H689 7574   7.670 -15.026   7.473
   10PA    H690 7575   7.528 -15.086   7.427
   10PA   Ch691 7576   7.589 -14.908   7.329
   10PA    H692 7577   7.510 -14.926   7.255
   10PA    H693 7578   7.612 -14.808   7.366
   10PA   Ch694 7579   7.699 -14.944   7.230
   10PA    H695 7580   7.792 -14.968   7.281
   10PA    H696 7581   7.722 -14.840   7.204
   10PA   Ca697 7582   7.675 -15.050   7.124
   10PA    O698 7583   7.667 -15.024   7.004
   10PA    N699 7584   7.661 -15.177   7.163
   10PA   Hn700 7585   7.740 -15.207   7.219
   10PA   Ch701 7586   7.541 -15.256   7.184
   10PA    H702 7587   7.451 -15.202   7.215
   10PA    H703 7588   7.512 -15.296   7.087
   10PA   Ch704 7589   7.583 -15.371   7.273
   10PA    H705 7590   7.501 -15.401   7.339
   10PA    H706 7591   7.654 -15.340   7.350
   10PA   Ch707 7592   7.639 -15.500   7.214
   10PA    H708 7593   7.551 -15.534   7.159
   10PA    H709 7594   7.708 -15.480   7.132
   10PA   Ch710 7595   7.677 -15.612   7.310
   10PA    H711 7596   7.599 -15.643   7.379
   10PA    H712 7597   7.752 -15.571   7.377
   10PA   Ch713 7598   7.729 -15.741   7.248
   10PA    H714 7599   7.660 -15.772   7.170
   10PA    H715 7600   7.830 -15.722   7.210
   10PA   Ch716 7601   7.752 -15.842   7.360
   10PA    H717 7602   7.654 -15.880   7.389
   10PA    H718 7603   7.797 -15.784   7.441
   10PA    N719 7604   7.837 -15.946   7.306
   10PA   Hn720 7605   7.876 -15.929   7.214
   10PA   Ca721 7606   7.901 -16.045   7.368
   10PA    O722 7607   7.845 -16.143   7.417
   10PA   Ch723 7608   8.040 -16.013   7.422
   10PA    H724 7609   8.011 -15.943   7.501
   10PA    H725 7610   8.085 -16.093   7.480
   10PA   Ch726 7611   8.151 -15.950   7.339
   10PA    H727 7612   8.093 -15.894   7.266
   10PA    H728 7613   8.194 -16.028   7.275
   10PA   Ch729 7614   8.248 -15.874   7.428
   10PA    H730 7615   8.306 -15.818   7.353
   10PA    H731 7616   8.187 -15.801   7.482
   10PA   Ch732 7617   8.364 -15.945   7.497
   10PA    H733 7618   8.347 -16.050   7.478
   10PA    H734 7619   8.322 -15.933   7.598
   10PA   Ca735 7620   8.513 -15.918   7.484
   10PA    O736 7621   8.562 -15.908   7.372
   10PA    N737 7622   8.590 -15.916   7.593
   10PA   Hn738 7623   8.578 -16.012   7.621
   10PA   Ch739 7624   8.610 -15.808   7.688
   10PA    H740 7625   8.525 -15.744   7.664
   10PA    H741 7626   8.602 -15.830   7.794
   10PA   Ch742 7627   8.737 -15.737   7.640
   10PA    H743 7628   8.726 -15.711   7.535
   10PA    H744 7629   8.830 -15.794   7.633
   10PA   Ch745 7630   8.765 -15.628   7.742
   10PA    H746 7631   8.816 -15.580   7.657
   10PA    H747 7632   8.670 -15.580   7.766
   10PA   Ch748 7633   8.837 -15.673   7.868
   10PA    H749 7634   8.797 -15.768   7.906
   10PA    H750 7635   8.802 -15.602   7.943
   10PA   Ch751 7636   8.988 -15.670   7.849
   10PA    H752 7637   9.022 -15.621   7.758
   10PA    H753 7638   9.017 -15.596   7.923
   10PA   Ch754 7639   9.055 -15.802   7.888
   10PA    H755 7640   9.066 -15.809   7.996
   10PA    H756 7641   9.160 -15.803   7.859
   10PA    N757 7642   8.995 -15.923   7.835
   10PA   Hn758 7643   8.905 -15.922   7.789
   10PA   Ca759 7644   8.999 -16.040   7.898
   10PA    O760 7645   9.105 -16.093   7.930
   10PA   Ch761 7646   8.873 -16.108   7.948
   10PA    H762 7647   8.862 -16.092   8.056
   10PA    H763 7648   8.785 -16.059   7.908
   10PA    H764 7649  10.445  -8.401   4.634
   10PA    H765 7650   8.866 -16.214   7.924
   11PA     Ch1 7651   0.683  12.201  -1.904
   11PA      H2 7652   0.742  12.194  -1.995
   11PA      H3 7653   0.618  12.116  -1.921
   11PA     Ch4 7654   0.609  12.334  -1.888
   11PA      H5 7655   0.523  12.336  -1.821
   11PA      H6 7656   0.535  12.339  -1.968
   11PA     Ch7 7657   0.709  12.447  -1.869
   11PA      H8 7658   0.738  12.459  -1.764
   11PA      H9 7659   0.798  12.436  -1.931
   11PA    Ch10 7660   0.651  12.584  -1.901
   11PA     H11 7661   0.602  12.620  -1.811
   11PA     H12 7662   0.557  12.594  -1.955
   11PA    Ca13 7663   0.758  12.674  -1.963
   11PA     O14 7664   0.844  12.731  -1.895
   11PA     N15 7665   0.753  12.683  -2.096
   11PA    Hn16 7666   0.663  12.705  -2.136
   11PA    Ch17 7667   0.854  12.652  -2.195
   11PA     H18 7668   0.921  12.738  -2.203
   11PA     H19 7669   0.901  12.565  -2.148
   11PA    Ch20 7670   0.784  12.631  -2.328
   11PA     H21 7671   0.759  12.734  -2.353
   11PA     H22 7672   0.687  12.580  -2.332
   11PA    Ch23 7673   0.860  12.567  -2.444
   11PA     H24 7674   0.966  12.572  -2.419
   11PA     H25 7675   0.833  12.462  -2.445
   11PA    Ch26 7676   0.805  12.628  -2.572
   11PA     H27 7677   0.696  12.627  -2.580
   11PA     H28 7678   0.831  12.545  -2.638
   11PA    Ch29 7679   0.840  12.772  -2.607
   11PA     H30 7680   0.810  12.859  -2.549
   11PA     H31 7681   0.949  12.770  -2.605
   11PA    Ch32 7682   0.789  12.810  -2.745
   11PA     H33 7683   0.682  12.817  -2.760
   11PA     H34 7684   0.812  12.727  -2.813
   11PA     N35 7685   0.861  12.926  -2.793
   11PA    Hn36 7686   0.944  12.886  -2.834
   11PA    Ca37 7687   0.823  13.042  -2.848
   11PA     O38 7688   0.755  13.130  -2.796
   11PA    Ch39 7689   0.806  13.036  -2.999
   11PA     H40 7690   0.878  12.968  -3.046
   11PA     H41 7691   0.699  13.021  -3.012
   11PA    Ch42 7692   0.837  13.153  -3.092
   11PA     H43 7693   0.944  13.166  -3.100
   11PA     H44 7694   0.795  13.240  -3.040
   11PA    Ch45 7695   0.812  13.115  -3.237
   11PA     H46 7696   0.890  13.045  -3.269
   11PA     H47 7697   0.714  13.067  -3.245
   11PA    Ch48 7698   0.785  13.228  -3.335
   11PA     H49 7699   0.729  13.311  -3.291
   11PA     H50 7700   0.718  13.201  -3.417
   11PA    Ca51 7701   0.911  13.298  -3.385
   11PA     O52 7702   0.966  13.232  -3.472
   11PA     N53 7703   0.979  13.393  -3.320
   11PA    Hn54 7704   0.918  13.460  -3.274
   11PA    Ch55 7705   1.096  13.383  -3.235
   11PA     H56 7706   1.107  13.299  -3.166
   11PA     H57 7707   1.176  13.370  -3.309
   11PA    Ch58 7708   1.119  13.514  -3.161
   11PA     H59 7709   1.039  13.538  -3.092
   11PA     H60 7710   1.132  13.572  -3.253
   11PA    Ch61 7711   1.235  13.498  -3.063
   11PA     H62 7712   1.212  13.411  -3.002
   11PA     H63 7713   1.326  13.481  -3.120
   11PA    Ch64 7714   1.261  13.626  -2.985
   11PA     H65 7715   1.208  13.613  -2.891
   11PA     H66 7716   1.216  13.706  -3.044
   11PA    Ch67 7717   1.407  13.663  -2.963
   11PA     H68 7718   1.442  13.584  -2.895
   11PA     H69 7719   1.448  13.640  -3.061
   11PA    Ch70 7720   1.412  13.799  -2.895
   11PA     H71 7721   1.373  13.795  -2.793
   11PA     H72 7722   1.329  13.860  -2.931
   11PA     N73 7723   1.547  13.850  -2.910
   11PA    Hn74 7724   1.603  13.847  -2.994
   11PA    Ca75 7725   1.639  13.852  -2.813
   11PA     O76 7726   1.618  13.931  -2.721
   11PA    Ch77 7727   1.771  13.785  -2.847
   11PA     H78 7728   1.728  13.693  -2.887
   11PA     H79 7729   1.799  13.841  -2.936
   11PA    Ch80 7730   1.872  13.737  -2.744
   11PA     H81 7731   1.936  13.692  -2.819
   11PA     H82 7732   1.836  13.672  -2.663
   11PA    Ch83 7733   1.965  13.845  -2.690
   11PA     H84 7734   1.997  13.918  -2.764
   11PA     H85 7735   1.907  13.900  -2.615
   11PA    Ch86 7736   2.074  13.769  -2.617
   11PA     H87 7737   2.129  13.759  -2.710
   11PA     H88 7738   2.061  13.669  -2.574
   11PA    Ca89 7739   2.170  13.850  -2.531
   11PA     O90 7740   2.263  13.913  -2.581
   11PA     N91 7741   2.146  13.857  -2.400
   11PA    Hn92 7742   2.092  13.784  -2.356
   11PA    Ch93 7743   2.119  13.966  -2.308
   11PA     H94 7744   2.199  14.037  -2.285
   11PA     H95 7745   2.055  14.036  -2.362
   11PA    Ch96 7746   2.053  13.924  -2.178
   11PA     H97 7747   2.139  13.881  -2.126
   11PA     H98 7748   1.976  13.849  -2.195
   11PA    Ch99 7749   1.995  14.035  -2.092
   11PA    H100 7750   2.083  14.099  -2.085
   11PA    H101 7751   1.918  14.089  -2.148
   11PA   Ch102 7752   1.946  13.996  -1.953
   11PA    H103 7753   1.851  13.943  -1.966
   11PA    H104 7754   1.898  14.075  -1.895
   11PA   Ch105 7755   2.038  13.916  -1.862
   11PA    H106 7756   2.051  13.829  -1.926
   11PA    H107 7757   2.130  13.968  -1.833
   11PA   Ch108 7758   1.967  13.869  -1.736
   11PA    H109 7759   1.865  13.909  -1.726
   11PA    H110 7760   2.041  13.925  -1.678
   11PA    N111 7761   1.985  13.731  -1.697
   11PA   Hn112 7762   2.073  13.691  -1.727
   11PA   Ca113 7763   1.919  13.653  -1.611
   11PA    O114 7764   1.889  13.697  -1.500
   11PA   Ch115 7765   1.849  13.531  -1.667
   11PA    H116 7766   1.820  13.482  -1.574
   11PA    H117 7767   1.750  13.564  -1.698
   11PA   Ch118 7768   1.917  13.427  -1.757
   11PA    H119 7769   2.016  13.409  -1.716
   11PA    H120 7770   1.931  13.474  -1.854
   11PA   Ch121 7771   1.838  13.297  -1.755
   11PA    H122 7772   1.867  13.239  -1.667
   11PA    H123 7773   1.735  13.327  -1.778
   11PA   Ch124 7774   1.895  13.206  -1.863
   11PA    H125 7775   2.003  13.199  -1.874
   11PA    H126 7776   1.860  13.252  -1.955
   11PA   Ca127 7777   1.846  13.062  -1.872
   11PA    O128 7778   1.922  12.966  -1.872
   11PA    N129 7779   1.717  13.032  -1.882
   11PA   Hn130 7780   1.737  12.959  -1.949
   11PA   Ch131 7781   1.633  13.033  -1.763
   11PA    H132 7782   1.687  13.051  -1.670
   11PA    H133 7783   1.554  13.106  -1.780
   11PA   Ch134 7784   1.567  12.898  -1.741
   11PA    H135 7785   1.532  12.853  -1.834
   11PA    H136 7786   1.496  12.931  -1.665
   11PA   Ch137 7787   1.664  12.801  -1.675
   11PA    H138 7788   1.743  12.791  -1.750
   11PA    H139 7789   1.694  12.854  -1.585
   11PA   Ch140 7790   1.603  12.670  -1.627
   11PA    H141 7791   1.520  12.636  -1.689
   11PA    H142 7792   1.539  12.693  -1.542
   11PA   Ch143 7793   1.720  12.577  -1.600
   11PA    H144 7794   1.779  12.566  -1.691
   11PA    H145 7795   1.776  12.638  -1.529
   11PA   Ch146 7796   1.670  12.442  -1.549
   11PA    H147 7797   1.644  12.382  -1.636
   11PA    H148 7798   1.577  12.456  -1.494
   11PA    N149 7799   1.777  12.378  -1.476
   11PA   Hn150 7800   1.820  12.430  -1.401
   11PA   Ca151 7801   1.772  12.249  -1.439
   11PA    O152 7802   1.754  12.158  -1.519
   11PA   Ch153 7803   1.720  12.233  -1.297
   11PA    H154 7804   1.642  12.309  -1.285
   11PA    H155 7805   1.670  12.136  -1.290
   11PA   Ch156 7806   1.831  12.253  -1.196
   11PA    H157 7807   1.907  12.319  -1.240
   11PA    H158 7808   1.890  12.161  -1.200
   11PA   Ch159 7809   1.815  12.309  -1.055
   11PA    H160 7810   1.908  12.333  -1.002
   11PA    H161 7811   1.780  12.412  -1.061
   11PA   Ch162 7812   1.702  12.250  -0.973
   11PA    H163 7813   1.718  12.142  -0.966
   11PA    H164 7814   1.603  12.269  -1.015
   11PA   Ca165 7815   1.687  12.302  -0.831
   11PA    O166 7816   1.654  12.419  -0.814
   11PA    N167 7817   1.709  12.229  -0.721
   11PA   Hn168 7818   1.800  12.186  -0.716
   11PA   Ch169 7819   1.598  12.196  -0.634
   11PA    H170 7820   1.540  12.288  -0.619
   11PA    H171 7821   1.521  12.131  -0.675
   11PA   Ch172 7822   1.652  12.124  -0.511
   11PA    H173 7823   1.692  12.193  -0.437
   11PA    H174 7824   1.742  12.065  -0.527
   11PA   Ch175 7825   1.548  12.050  -0.428
   11PA    H176 7826   1.505  11.977  -0.497
   11PA    H177 7827   1.604  12.000  -0.348
   11PA   Ch178 7828   1.428  12.131  -0.380
   11PA    H179 7829   1.450  12.236  -0.362
   11PA    H180 7830   1.412  12.106  -0.276
   11PA   Ch181 7831   1.303  12.136  -0.468
   11PA    H182 7832   1.343  12.139  -0.570
   11PA    H183 7833   1.256  12.038  -0.463
   11PA   Ch184 7834   1.202  12.250  -0.467
   11PA    H185 7835   1.274  12.332  -0.464
   11PA    H186 7836   1.156  12.238  -0.368
   11PA    N187 7837   1.100  12.231  -0.568
   11PA   Hn188 7838   1.086  12.146  -0.621
   11PA   Ca189 7839   0.972  12.266  -0.555
   11PA    O190 7840   0.929  12.376  -0.590
   11PA   Ch191 7841   0.878  12.164  -0.494
   11PA    H192 7842   0.886  12.151  -0.386
   11PA    H193 7843   0.777  12.204  -0.509
   11PA   Ch194 7844   0.840  12.033  -0.561
   11PA    H195 7845   0.849  12.040  -0.669
   11PA    H196 7846   0.735  12.006  -0.546
   11PA   Ch197 7847   0.927  11.921  -0.506
   11PA    H198 7848   0.896  11.844  -0.576
   11PA    H199 7849   1.034  11.919  -0.528
   11PA   Ch200 7850   0.886  11.862  -0.371
   11PA    H201 7851   0.779  11.839  -0.372
   11PA    H202 7852   0.908  11.943  -0.302
   11PA   Ca203 7853   0.944  11.729  -0.326
   11PA    O204 7854   0.956  11.707  -0.206
   11PA    N205 7855   0.979  11.636  -0.416
   11PA   Hn206 7856   0.897  11.638  -0.475
   11PA   Ch207 7857   1.103  11.593  -0.477
   11PA    H208 7858   1.101  11.651  -0.570
   11PA    H209 7859   1.201  11.611  -0.434
   11PA   Ch210 7860   1.113  11.443  -0.502
   11PA    H211 7861   1.055  11.378  -0.436
   11PA    H212 7862   1.212  11.410  -0.469
   11PA   Ch213 7863   1.108  11.412  -0.651
   11PA    H214 7864   1.185  11.452  -0.716
   11PA    H215 7865   1.144  11.309  -0.653
   11PA   Ch216 7866   0.967  11.403  -0.710
   11PA    H217 7867   0.926  11.502  -0.730
   11PA    H218 7868   0.892  11.374  -0.637
   11PA   Ch219 7869   0.930  11.315  -0.828
   11PA    H220 7870   0.957  11.217  -0.788
   11PA    H221 7871   0.822  11.297  -0.830
   11PA   Ch222 7872   1.005  11.326  -0.960
   11PA    H223 7873   1.043  11.225  -0.976
   11PA    H224 7874   1.086  11.399  -0.953
   11PA    N225 7875   0.917  11.361  -1.070
   11PA   Hn226 7876   0.850  11.290  -1.094
   11PA   Ca227 7877   0.931  11.427  -1.185
   11PA    O228 7878   0.933  11.550  -1.190
   11PA   Ch229 7879   0.954  11.344  -1.310
   11PA    H230 7880   0.853  11.353  -1.349
   11PA    H231 7881   1.007  11.412  -1.376
   11PA   Ch232 7882   1.029  11.211  -1.312
   11PA    H233 7883   1.021  11.146  -1.400
   11PA    H234 7884   0.996  11.150  -1.228
   11PA   Ch235 7885   1.181  11.221  -1.321
   11PA    H236 7886   1.218  11.239  -1.422
   11PA    H237 7887   1.209  11.309  -1.264
   11PA   Ch238 7888   1.264  11.109  -1.259
   11PA    H239 7889   1.207  11.017  -1.254
   11PA    H240 7890   1.239  11.126  -1.154
   11PA   Ca241 7891   1.413  11.108  -1.293
   11PA    O242 7892   1.490  11.167  -1.218
   11PA    N243 7893   1.447  11.031  -1.397
   11PA   Hn244 7894   1.381  10.955  -1.395
   11PA   Ch245 7895   1.519  11.077  -1.514
   11PA    H246 7896   1.523  11.186  -1.519
   11PA    H247 7897   1.620  11.045  -1.485
   11PA   Ch248 7898   1.473  11.003  -1.639
   11PA    H249 7899   1.377  11.052  -1.660
   11PA    H250 7900   1.421  10.909  -1.619
   11PA   Ch251 7901   1.574  10.976  -1.750
   11PA    H252 7902   1.619  11.075  -1.759
   11PA    H253 7903   1.658  10.914  -1.718
   11PA   Ch254 7904   1.506  10.962  -1.886
   11PA    H255 7905   1.559  10.999  -1.973
   11PA    H256 7906   1.412  11.017  -1.882
   11PA   Ch257 7907   1.484  10.820  -1.935
   11PA    H258 7908   1.590  10.800  -1.947
   11PA    H259 7909   1.439  10.771  -1.849
   11PA   Ch260 7910   1.426  10.792  -2.074
   11PA    H261 7911   1.489  10.849  -2.142
   11PA    H262 7912   1.329  10.840  -2.078
   11PA    N263 7913   1.407  10.651  -2.102
   11PA   Hn264 7914   1.332  10.613  -2.047
   11PA   Ca265 7915   1.429  10.591  -2.220
   11PA    O266 7916   1.542  10.567  -2.261
   11PA   Ch267 7917   1.300  10.549  -2.289
   11PA    H268 7918   1.243  10.641  -2.302
   11PA    H269 7919   1.336  10.505  -2.382
   11PA   Ch270 7920   1.201  10.448  -2.233
   11PA    H271 7921   1.115  10.453  -2.300
   11PA    H272 7922   1.151  10.487  -2.145
   11PA   Ch273 7923   1.241  10.301  -2.231
   11PA    H274 7924   1.349  10.291  -2.221
   11PA    H275 7925   1.178  10.272  -2.146
   11PA   Ch276 7926   1.223  10.213  -2.354
   11PA    H277 7927   1.305  10.242  -2.420
   11PA    H278 7928   1.131  10.212  -2.413
   11PA   Ca279 7929   1.231  10.065  -2.320
   11PA    O280 7930   1.342  10.019  -2.292
   11PA    N281 7931   1.131  10.009  -2.250
   11PA   Hn282 7932   1.062   9.983  -2.319
   11PA   Ch283 7933   1.110   9.957  -2.117
   11PA    H284 7934   1.183   9.876  -2.106
   11PA    H285 7935   1.136  10.031  -2.042
   11PA   Ch286 7936   0.978   9.883  -2.096
   11PA    H287 7937   0.981   9.794  -2.160
   11PA    H288 7938   0.895   9.951  -2.113
   11PA   Ch289 7939   0.973   9.846  -1.948
   11PA    H290 7940   1.063   9.786  -1.932
   11PA    H291 7941   0.968   9.939  -1.891
   11PA   Ch292 7942   0.844   9.784  -1.897
   11PA    H293 7943   0.870   9.681  -1.921
   11PA    H294 7944   0.749   9.825  -1.933
   11PA   Ch295 7945   0.816   9.814  -1.750
   11PA    H296 7946   0.899   9.797  -1.682
   11PA    H297 7947   0.786   9.916  -1.727
   11PA   Ch298 7948   0.696   9.743  -1.687
   11PA    H299 7949   0.717   9.636  -1.682
   11PA    H300 7950   0.613   9.771  -1.752
   11PA    N301 7951   0.649   9.789  -1.558
   11PA   Hn302 7952   0.558   9.832  -1.560
   11PA   Ca303 7953   0.688   9.736  -1.442
   11PA    O304 7954   0.806   9.717  -1.417
   11PA   Ch305 7955   0.590   9.655  -1.358
   11PA    H306 7956   0.500   9.668  -1.418
   11PA    H307 7957   0.609   9.548  -1.344
   11PA   Ch308 7958   0.551   9.726  -1.229
   11PA    H309 7959   0.457   9.778  -1.248
   11PA    H310 7960   0.623   9.805  -1.208
   11PA   Ch311 7961   0.547   9.632  -1.109
   11PA    H312 7962   0.569   9.528  -1.134
   11PA    H313 7963   0.629   9.672  -1.050
   11PA   Ch314 7964   0.426   9.648  -1.018
   11PA    H315 7965   0.333   9.600  -1.049
   11PA    H316 7966   0.401   9.753  -1.032
   11PA   Ca317 7967   0.448   9.618  -0.870
   11PA    O318 7968   0.496   9.700  -0.791
   11PA    N319 7969   0.424   9.490  -0.839
   11PA   Hn320 7970   0.442   9.456  -0.932
   11PA   Ch321 7971   0.311   9.430  -0.771
   11PA    H322 7972   0.333   9.431  -0.663
   11PA    H323 7973   0.212   9.455  -0.809
   11PA   Ch324 7974   0.298   9.280  -0.796
   11PA    H325 7975   0.397   9.237  -0.802
   11PA    H326 7976   0.223   9.271  -0.875
   11PA   Ch327 7977   0.207   9.211  -0.696
   11PA    H328 7978   0.120   9.263  -0.655
   11PA    H329 7979   0.149   9.131  -0.742
   11PA   Ch330 7980   0.264   9.133  -0.578
   11PA    H331 7981   0.279   9.217  -0.509
   11PA    H332 7982   0.354   9.074  -0.592
   11PA   Ch333 7983   0.159   9.055  -0.500
   11PA    H334 7984   0.069   9.115  -0.488
   11PA    H335 7985   0.106   8.978  -0.555
   11PA   Ch336 7986   0.206   8.991  -0.370
   11PA    H337 7987   0.271   9.072  -0.335
   11PA    H338 7988   0.287   8.920  -0.388
   11PA    N339 7989   0.105   8.962  -0.270
   11PA   Hn340 7990   0.041   8.884  -0.280
   11PA   Ca341 7991   0.130   9.005  -0.147
   11PA    O342 7992   0.089   9.114  -0.106
   11PA   Ch343 7993   0.148   8.890  -0.049
   11PA    H344 7994   0.052   8.840  -0.037
   11PA    H345 7995   0.203   8.806  -0.092
   11PA   Ch346 7996   0.174   8.931   0.095
   11PA    H347 7997   0.095   8.997   0.132
   11PA    H348 7998   0.245   9.014   0.099
   11PA   Ch349 7999   0.204   8.820   0.195
   11PA    H350 8000   0.121   8.749   0.183
   11PA    H351 8001   0.282   8.762   0.146
   11PA   Ch352 8002   0.256   8.847   0.336
   11PA    H353 8003   0.202   8.923   0.392
   11PA    H354 8004   0.346   8.902   0.310
   11PA   Ca355 8005   0.301   8.733   0.425
   11PA    O356 8006   0.397   8.661   0.396
   11PA    N357 8007   0.242   8.735   0.545
   11PA   Hn358 8008   0.226   8.835   0.545
   11PA   Ch359 8009   0.140   8.645   0.596
   11PA    H360 8010   0.094   8.587   0.516
   11PA    H361 8011   0.199   8.586   0.667
   11PA   Ch362 8012   0.040   8.724   0.678
   11PA    H363 8013   0.044   8.832   0.660
   11PA    H364 8014   0.071   8.707   0.781
   11PA   Ch365 8015  -0.104   8.676   0.671
   11PA    H366 8016  -0.141   8.724   0.580
   11PA    H367 8017  -0.114   8.568   0.680
   11PA   Ch368 8018  -0.181   8.740   0.786
   11PA    H369 8019  -0.289   8.741   0.767
   11PA    H370 8020  -0.167   8.848   0.790
   11PA   Ch371 8021  -0.171   8.663   0.917
   11PA    H372 8022  -0.234   8.575   0.902
   11PA    H373 8023  -0.077   8.612   0.940
   11PA   Ch374 8024  -0.226   8.753   1.026
   11PA    H375 8025  -0.327   8.776   0.990
   11PA    H376 8026  -0.183   8.851   1.043
   11PA    N377 8027  -0.224   8.680   1.151
   11PA   Hn378 8028  -0.260   8.586   1.138
   11PA   Ca379 8029  -0.162   8.701   1.267
   11PA    O380 8030  -0.172   8.816   1.310
   11PA   Ch381 8031  -0.034   8.621   1.285
   11PA    H382 8032  -0.003   8.605   1.181
   11PA    H383 8033   0.041   8.689   1.325
   11PA   Ch384 8034  -0.046   8.497   1.372
   11PA    H385 8035  -0.146   8.453   1.374
   11PA    H386 8036  -0.031   8.519   1.477
   11PA   Ch387 8037   0.041   8.381   1.326
   11PA    H388 8038   0.008   8.312   1.404
   11PA    H389 8039   0.032   8.344   1.224
   11PA   Ch390 8040   0.185   8.389   1.376
   11PA    H391 8041   0.180   8.423   1.480
   11PA    H392 8042   0.236   8.457   1.308
   11PA   Ca393 8043   0.266   8.262   1.393
   11PA    O394 8044   0.302   8.211   1.500
   11PA    N395 8045   0.288   8.201   1.277
   11PA   Hn396 8046   0.305   8.272   1.207
   11PA   Ch397 8047   0.244   8.080   1.210
   11PA    H398 8048   0.327   8.011   1.195
   11PA    H399 8049   0.160   8.025   1.254
   11PA   Ch400 8050   0.168   8.102   1.079
   11PA    H401 8051   0.209   8.180   1.015
   11PA    H402 8052   0.078   8.162   1.095
   11PA   Ch403 8053   0.118   7.975   1.013
   11PA    H404 8054   0.208   7.919   0.986
   11PA    H405 8055   0.075   7.909   1.089
   11PA   Ch406 8056   0.035   7.985   0.885
   11PA    H407 8057   0.106   8.036   0.820
   11PA    H408 8058  -0.058   8.039   0.903
   11PA   Ch409 8059   0.002   7.858   0.809
   11PA    H410 8060  -0.016   7.881   0.704
   11PA    H411 8061   0.097   7.805   0.800
   11PA   Ch412 8062  -0.107   7.758   0.843
   11PA    H413 8063  -0.193   7.807   0.797
   11PA    H414 8064  -0.109   7.757   0.952
   11PA    N415 8065  -0.073   7.630   0.784
   11PA   Hn416 8066  -0.012   7.570   0.837
   11PA   Ca417 8067  -0.158   7.550   0.720
   11PA    O418 8068  -0.190   7.568   0.602
   11PA   Ch419 8069  -0.240   7.443   0.792
   11PA    H420 8070  -0.337   7.492   0.799
   11PA    H421 8071  -0.250   7.368   0.714
   11PA   Ch422 8072  -0.191   7.393   0.927
   11PA    H423 8073  -0.290   7.378   0.972
   11PA    H424 8074  -0.135   7.459   0.993
   11PA   Ch425 8075  -0.157   7.245   0.927
   11PA    H426 8076  -0.245   7.182   0.941
   11PA    H427 8077  -0.115   7.206   0.834
   11PA   Ch428 8078  -0.050   7.218   1.032
   11PA    H429 8079  -0.028   7.301   1.100
   11PA    H430 8080   0.041   7.186   0.982
   11PA   Ca431 8081  -0.073   7.086   1.105
   11PA    O432 8082  -0.065   6.975   1.054
   11PA    N433 8083  -0.114   7.107   1.230
   11PA   Hn434 8084  -0.132   7.206   1.232
   11PA   Ch435 8085  -0.041   7.045   1.339
   11PA    H436 8086  -0.018   6.943   1.308
   11PA    H437 8087   0.062   7.081   1.347
   11PA   Ch438 8088  -0.142   7.058   1.451
   11PA    H439 8089  -0.206   6.969   1.444
   11PA    H440 8090  -0.221   7.131   1.430
   11PA   Ch441 8091  -0.067   7.067   1.583
   11PA    H442 8092  -0.004   6.980   1.604
   11PA    H443 8093   0.002   7.148   1.607
   11PA   Ch444 8094  -0.170   7.061   1.696
   11PA    H445 8095  -0.151   6.984   1.772
   11PA    H446 8096  -0.274   7.049   1.664
   11PA   Ch447 8097  -0.154   7.178   1.791
   11PA    H448 8098  -0.061   7.136   1.831
   11PA    H449 8099  -0.149   7.273   1.738
   11PA   Ch450 8100  -0.265   7.206   1.891
   11PA    H451 8101  -0.315   7.120   1.937
   11PA    H452 8102  -0.348   7.243   1.831
   11PA    N453 8103  -0.218   7.286   2.002
   11PA   Hn454 8104  -0.122   7.315   1.989
   11PA   Ca455 8105  -0.270   7.294   2.125
   11PA    O456 8106  -0.388   7.327   2.141
   11PA   Ch457 8107  -0.216   7.179   2.209
   11PA    H458 8108  -0.260   7.087   2.171
   11PA    H459 8109  -0.110   7.159   2.213
   11PA   Ch460 8110  -0.238   7.200   2.359
   11PA    H461 8111  -0.334   7.164   2.396
   11PA    H462 8112  -0.261   7.306   2.374
   11PA   Ch463 8113  -0.124   7.162   2.452
   11PA    H464 8114  -0.083   7.069   2.410
   11PA    H465 8115  -0.041   7.230   2.429
   11PA   Ch466 8116  -0.123   7.169   2.604
   11PA    H467 8117  -0.196   7.247   2.625
   11PA    H468 8118  -0.023   7.201   2.633
   11PA   Ca469 8119  -0.165   7.045   2.680
   11PA    O470 8120  -0.098   6.944   2.659
   11PA    N471 8121  -0.237   7.056   2.792
   11PA   Hn472 8122  -0.334   7.062   2.763
   11PA   Ch473 8123  -0.196   7.037   2.930
   11PA    H474 8124  -0.170   6.935   2.959
   11PA    H475 8125  -0.117   7.104   2.963
   11PA   Ch476 8126  -0.318   7.063   3.017
   11PA    H477 8127  -0.276   7.012   3.104
   11PA    H478 8128  -0.409   7.015   2.981
   11PA   Ch479 8129  -0.318   7.208   3.064
   11PA    H480 8130  -0.222   7.247   3.096
   11PA    H481 8131  -0.373   7.254   2.981
   11PA   Ch482 8132  -0.401   7.225   3.191
   11PA    H483 8133  -0.341   7.223   3.282
   11PA    H484 8134  -0.437   7.126   3.221
   11PA   Ch485 8135  -0.512   7.329   3.194
   11PA    H486 8136  -0.466   7.425   3.170
   11PA    H487 8137  -0.561   7.311   3.098
   11PA   Ch488 8138  -0.608   7.337   3.312
   11PA    H489 8139  -0.568   7.345   3.413
   11PA    H490 8140  -0.667   7.249   3.285
   11PA    N491 8141  -0.710   7.433   3.274
   11PA   Hn492 8142  -0.676   7.528   3.269
   11PA   Ca493 8143  -0.808   7.484   3.349
   11PA    O494 8144  -0.911   7.419   3.361
   11PA   Ch495 8145  -0.782   7.604   3.439
   11PA    H496 8146  -0.743   7.677   3.367
   11PA    H497 8147  -0.875   7.659   3.450
   11PA   Ch498 8148  -0.680   7.601   3.552
   11PA    H499 8149  -0.581   7.641   3.528
   11PA    H500 8150  -0.673   7.499   3.588
   11PA   Ch501 8151  -0.720   7.710   3.651
   11PA    H502 8152  -0.723   7.799   3.588
   11PA    H503 8153  -0.813   7.669   3.691
   11PA   Ch504 8154  -0.617   7.719   3.763
   11PA    H505 8155  -0.556   7.806   3.737
   11PA    H506 8156  -0.546   7.637   3.777
   11PA   Ca507 8157  -0.688   7.748   3.894
   11PA    O508 8158  -0.738   7.857   3.921
   11PA    N509 8159  -0.711   7.643   3.974
   11PA   Hn510 8160  -0.767   7.564   3.944
   11PA   Ch511 8161  -0.648   7.609   4.100
   11PA    H512 8162  -0.558   7.552   4.077
   11PA    H513 8163  -0.649   7.701   4.158
   11PA   Ch514 8164  -0.761   7.538   4.173
   11PA    H515 8165  -0.799   7.450   4.120
   11PA    H516 8166  -0.847   7.600   4.195
   11PA   Ch517 8167  -0.715   7.474   4.303
   11PA    H518 8168  -0.607   7.459   4.311
   11PA    H519 8169  -0.741   7.557   4.370
   11PA   Ch520 8170  -0.777   7.341   4.342
   11PA    H521 8171  -0.805   7.283   4.254
   11PA    H522 8172  -0.877   7.373   4.373
   11PA   Ch523 8173  -0.710   7.250   4.444
   11PA    H524 8174  -0.645   7.318   4.500
   11PA    H525 8175  -0.791   7.216   4.507
   11PA   Ch526 8176  -0.613   7.140   4.401
   11PA    H527 8177  -0.530   7.198   4.360
   11PA    H528 8178  -0.648   7.072   4.323
   11PA    N529 8179  -0.569   7.053   4.508
   11PA   Hn530 8180  -0.540   7.090   4.598
   11PA   Ca531 8181  -0.496   6.946   4.478
   11PA    O532 8182  -0.555   6.838   4.471
   11PA   Ch533 8183  -0.347   6.944   4.511
   11PA    H534 8184  -0.323   6.906   4.611
   11PA    H535 8185  -0.314   6.877   4.432
   11PA   Ch536 8186  -0.284   7.083   4.509
   11PA    H537 8187  -0.336   7.150   4.441
   11PA    H538 8188  -0.181   7.071   4.477
   11PA   Ch539 8189  -0.256   7.142   4.647
   11PA    H540 8190  -0.347   7.131   4.705
   11PA    H541 8191  -0.174   7.081   4.685
   11PA   Ch542 8192  -0.244   7.293   4.636
   11PA    H543 8193  -0.295   7.361   4.568
   11PA    H544 8194  -0.150   7.308   4.581
   11PA   Ca545 8195  -0.236   7.388   4.755
   11PA    O546 8196  -0.170   7.492   4.752
   11PA    N547 8197  -0.315   7.363   4.859
   11PA   Hn548 8198  -0.390   7.305   4.824
   11PA   Ch549 8199  -0.272   7.309   4.986
   11PA    H550 8200  -0.233   7.207   4.978
   11PA    H551 8201  -0.182   7.367   5.006
   11PA   Ch552 8202  -0.380   7.314   5.093
   11PA    H553 8203  -0.435   7.224   5.066
   11PA    H554 8204  -0.461   7.387   5.082
   11PA   Ch555 8205  -0.334   7.283   5.235
   11PA    H556 8206  -0.427   7.263   5.289
   11PA    H557 8207  -0.269   7.197   5.252
   11PA   Ch558 8208  -0.260   7.390   5.313
   11PA    H559 8209  -0.176   7.414   5.247
   11PA    H560 8210  -0.223   7.339   5.402
   11PA   Ch561 8211  -0.341   7.515   5.347
   11PA    H562 8212  -0.390   7.554   5.258
   11PA    H563 8213  -0.402   7.461   5.421
   11PA   Ch564 8214  -0.251   7.614   5.418
   11PA    H565 8215  -0.153   7.618   5.371
   11PA    H566 8216  -0.224   7.562   5.510
   11PA    N567 8217  -0.317   7.743   5.424
   11PA   Hn568 8218  -0.415   7.746   5.446
   11PA   Ca569 8219  -0.245   7.855   5.437
   11PA    O570 8220  -0.196   7.916   5.342
   11PA   Ch571 8221  -0.249   7.912   5.578
   11PA    H572 8222  -0.348   7.959   5.578
   11PA    H573 8223  -0.239   7.835   5.655
   11PA   Ch574 8224  -0.124   7.991   5.614
   11PA    H575 8225  -0.044   7.991   5.539
   11PA    H576 8226  -0.084   7.966   5.712
   11PA   Ch577 8227  -0.171   8.135   5.634
   11PA    H578 8228  -0.262   8.125   5.694
   11PA    H579 8229  -0.106   8.190   5.702
   11PA   Ch580 8230  -0.169   8.218   5.506
   11PA    H581 8231  -0.083   8.212   5.439
   11PA    H582 8232  -0.131   8.311   5.548
   11PA   Ca583 8233  -0.294   8.247   5.424
   11PA    O584 8234  -0.397   8.297   5.468
   11PA    N585 8235  -0.298   8.191   5.303
   11PA   Hn586 8236  -0.244   8.108   5.320
   11PA   Ch587 8237  -0.275   8.262   5.179
   11PA    H588 8238  -0.370   8.313   5.161
   11PA    H589 8239  -0.188   8.328   5.181
   11PA   Ch590 8240  -0.249   8.154   5.074
   11PA    H591 8241  -0.338   8.094   5.057
   11PA    H592 8242  -0.182   8.074   5.108
   11PA   Ch593 8243  -0.219   8.198   4.932
   11PA    H594 8244  -0.252   8.290   4.883
   11PA    H595 8245  -0.116   8.230   4.914
   11PA   Ch596 8246  -0.225   8.108   4.809
   11PA    H597 8247  -0.187   8.181   4.737
   11PA    H598 8248  -0.323   8.063   4.793
   11PA   Ch599 8249  -0.133   7.992   4.773
   11PA    H600 8250  -0.031   8.019   4.798
   11PA    H601 8251  -0.140   7.923   4.857
   11PA   Ch602 8252  -0.154   7.937   4.633
   11PA    H603 8253  -0.080   7.986   4.569
   11PA    H604 8254  -0.257   7.936   4.597
   11PA    N605 8255  -0.103   7.801   4.634
   11PA   Hn606 8256  -0.115   7.748   4.719
   11PA   Ca607 8257   0.015   7.771   4.581
   11PA    O608 8258   0.026   7.766   4.458
   11PA   Ch609 8259   0.119   7.710   4.674
   11PA    H610 8260   0.111   7.603   4.694
   11PA    H611 8261   0.191   7.684   4.596
   11PA   Ch612 8262   0.208   7.780   4.777
   11PA    H613 8263   0.239   7.693   4.836
   11PA    H614 8264   0.143   7.830   4.848
   11PA   Ch615 8265   0.311   7.881   4.731
   11PA    H616 8266   0.380   7.884   4.816
   11PA    H617 8267   0.359   7.849   4.638
   11PA   Ch618 8268   0.260   8.020   4.694
   11PA    H619 8269   0.161   8.035   4.651
   11PA    H620 8270   0.326   8.051   4.612
   11PA   Ca621 8271   0.284   8.130   4.796
   11PA    O622 8272   0.183   8.182   4.843
   11PA    N623 8273   0.401   8.164   4.851
   11PA   Hn624 8274   0.440   8.081   4.894
   11PA   Ch625 8275   0.482   8.281   4.825
   11PA    H626 8276   0.507   8.296   4.720
   11PA    H627 8277   0.440   8.364   4.883
   11PA   Ch628 8278   0.618   8.249   4.885
   11PA    H629 8279   0.643   8.147   4.857
   11PA    H630 8280   0.625   8.262   4.993
   11PA   Ch631 8281   0.728   8.335   4.823
   11PA    H632 8282   0.728   8.290   4.723
   11PA    H633 8283   0.705   8.442   4.826
   11PA   Ch634 8284   0.861   8.322   4.895
   11PA    H635 8285   0.907   8.223   4.902
   11PA    H636 8286   0.837   8.321   5.001
   11PA   Ch637 8287   0.966   8.430   4.875
   11PA    H638 8288   1.042   8.402   4.948
   11PA    H639 8289   1.002   8.431   4.772
   11PA   Ch640 8290   0.933   8.569   4.929
   11PA    H641 8291   0.878   8.567   5.024
   11PA    H642 8292   0.862   8.619   4.864
   11PA    N643 8293   1.043   8.663   4.917
   11PA   Hn644 8294   1.068   8.709   4.831
   11PA   Ca645 8295   1.116   8.731   5.006
   11PA    O646 8296   1.060   8.795   5.095
   11PA   Ch647 8297   1.257   8.678   5.025
   11PA    H648 8298   1.265   8.672   5.133
   11PA    H649 8299   1.257   8.574   4.991
   11PA   Ch650 8300   1.367   8.776   4.988
   11PA    H651 8301   1.351   8.880   5.019
   11PA    H652 8302   1.381   8.794   4.881
   11PA   Ch653 8303   1.495   8.736   5.059
   11PA    H654 8304   1.510   8.763   5.164
   11PA    H655 8305   1.503   8.627   5.063
   11PA   Ch656 8306   1.623   8.798   5.005
   11PA    H657 8307   1.616   8.794   4.896
   11PA    H658 8308   1.694   8.716   4.999
   11PA   Ca659 8309   1.658   8.931   5.070
   11PA    O660 8310   1.739   8.931   5.163
   11PA    N661 8311   1.665   9.027   4.978
   11PA   Hn662 8312   1.697   8.992   4.888
   11PA   Ch663 8313   1.583   9.145   4.963
   11PA    H664 8314   1.507   9.121   4.889
   11PA    H665 8315   1.550   9.170   5.064
   11PA   Ch666 8316   1.675   9.265   4.942
   11PA    H667 8317   1.714   9.275   4.841
   11PA    H668 8318   1.758   9.263   5.014
   11PA   Ch669 8319   1.606   9.400   4.947
   11PA    H670 8320   1.542   9.382   4.861
   11PA    H671 8321   1.552   9.425   5.039
   11PA   Ch672 8322   1.704   9.514   4.923
   11PA    H673 8323   1.650   9.589   4.864
   11PA    H674 8324   1.797   9.488   4.871
   11PA   Ch675 8325   1.760   9.579   5.049
   11PA    H676 8326   1.688   9.659   5.063
   11PA    H677 8327   1.737   9.525   5.142
   11PA   Ch678 8328   1.880   9.669   5.030
   11PA    H679 8329   1.874   9.741   5.111
   11PA    H680 8330   1.875   9.721   4.934
   11PA    N681 8331   1.997   9.584   5.044
   11PA   Hn682 8332   1.990   9.515   5.117
   11PA   Ca683 8333   2.102   9.585   4.962
   11PA    O684 8334   2.191   9.662   4.995
   11PA   Ch685 8335   2.109   9.503   4.834
   11PA    H686 8336   2.014   9.510   4.782
   11PA    H687 8337   2.166   9.580   4.783
   11PA   Ch688 8338   2.118   9.351   4.845
   11PA    H689 8339   2.019   9.327   4.885
   11PA    H690 8340   2.206   9.346   4.909
   11PA   Ch691 8341   2.117   9.293   4.704
   11PA    H692 8342   2.026   9.311   4.647
   11PA    H693 8343   2.208   9.333   4.659
   11PA   Ch694 8344   2.146   9.144   4.709
   11PA    H695 8345   2.070   9.103   4.777
   11PA    H696 8346   2.248   9.126   4.742
   11PA   Ca697 8347   2.141   9.081   4.571
   11PA    O698 8348   2.031   9.057   4.521
   11PA    N699 8349   2.250   9.104   4.497
   11PA   Hn700 8350   2.316   9.079   4.570
   11PA   Ch701 8351   2.298   9.190   4.391
   11PA    H702 8352   2.291   9.135   4.298
   11PA    H703 8353   2.266   9.292   4.369
   11PA   Ch704 8354   2.441   9.226   4.427
   11PA    H705 8355   2.494   9.167   4.502
   11PA    H706 8356   2.445   9.326   4.470
   11PA   Ch707 8357   2.544   9.236   4.315
   11PA    H708 8358   2.561   9.143   4.261
   11PA    H709 8359   2.479   9.285   4.242
   11PA   Ch710 8360   2.672   9.313   4.346
   11PA    H711 8361   2.757   9.260   4.303
   11PA    H712 8362   2.686   9.339   4.451
   11PA   Ch713 8363   2.694   9.437   4.261
   11PA    H714 8364   2.691   9.411   4.156
   11PA    H715 8365   2.609   9.503   4.276
   11PA   Ch716 8366   2.823   9.510   4.299
   11PA    H717 8367   2.896   9.442   4.255
   11PA    H718 8368   2.859   9.513   4.402
   11PA    N719 8369   2.812   9.649   4.260
   11PA   Hn720 8370   2.717   9.674   4.236
   11PA   Ca721 8371   2.895   9.715   4.179
   11PA    O722 8372   2.992   9.778   4.223
   11PA   Ch723 8373   2.871   9.693   4.031
   11PA    H724 8374   2.941   9.617   3.997
   11PA    H725 8375   2.768   9.664   4.009
   11PA   Ch726 8376   2.885   9.819   3.946
   11PA    H727 8377   2.991   9.834   3.925
   11PA    H728 8378   2.834   9.897   4.002
   11PA   Ch729 8379   2.808   9.808   3.815
   11PA    H730 8380   2.892   9.757   3.769
   11PA    H731 8381   2.720   9.743   3.821
   11PA   Ch732 8382   2.815   9.934   3.730
   11PA    H733 8383   2.893  10.000   3.769
   11PA    H734 8384   2.729   9.986   3.771
   11PA   Ca735 8385   2.771   9.947   3.585
   11PA    O736 8386   2.684   9.880   3.529
   11PA    N737 8387   2.855  10.024   3.517
   11PA   Hn738 8388   2.890  10.091   3.585
   11PA   Ch739 8389   2.971   9.980   3.441
   11PA    H740 8390   2.968   9.871   3.434
   11PA    H741 8391   2.959  10.012   3.338
   11PA   Ch742 8392   3.092  10.046   3.506
   11PA    H743 8393   3.114  10.007   3.606
   11PA    H744 8394   3.088  10.155   3.506
   11PA   Ch745 8395   3.219  10.012   3.430
   11PA    H746 8396   3.236  10.069   3.338
   11PA    H747 8397   3.281  10.086   3.480
   11PA   Ch748 8398   3.276   9.873   3.451
   11PA    H749 8399   3.246   9.839   3.550
   11PA    H750 8400   3.383   9.855   3.439
   11PA   Ch751 8401   3.240   9.767   3.347
   11PA    H752 8402   3.159   9.801   3.283
   11PA    H753 8403   3.311   9.746   3.267
   11PA   Ch754 8404   3.205   9.634   3.411
   11PA    H755 8405   3.142   9.564   3.357
   11PA    H756 8406   3.145   9.636   3.502
   11PA    N757 8407   3.330   9.567   3.443
   11PA   Hn758 8408   3.329   9.512   3.528
   11PA   Ca759 8409   3.409   9.493   3.364
   11PA    O760 8410   3.483   9.540   3.278
   11PA   Ch761 8411   3.431   9.346   3.394
   11PA    H762 8412   3.526   9.306   3.357
   11PA    H763 8413   3.400   9.325   3.496
   11PA    H764 8414   0.743  12.202  -1.812
   11PA    H765 8415   3.358   9.303   3.324
   12PA     Ch1 8416 -10.235   3.907  -4.850
   12PA      H2 8417 -10.184   3.828  -4.794
   12PA      H3 8418 -10.331   3.875  -4.891
   12PA     Ch4 8419 -10.167   3.945  -4.981
   12PA      H5 8420 -10.059   3.943  -4.967
   12PA      H6 8421 -10.216   4.041  -4.997
   12PA     Ch7 8422 -10.207   3.857  -5.098
   12PA      H8 8423 -10.123   3.876  -5.166
   12PA      H9 8424 -10.198   3.755  -5.060
   12PA    Ch10 8425 -10.331   3.894  -5.178
   12PA     H11 8426 -10.385   3.978  -5.134
   12PA     H12 8427 -10.385   3.804  -5.147
   12PA    Ca13 8428 -10.334   3.904  -5.330
   12PA     O14 8429 -10.412   3.826  -5.384
   12PA     N15 8430 -10.286   4.015  -5.387
   12PA    Hn16 8431 -10.215   4.042  -5.321
   12PA    Ch17 8432 -10.350   4.111  -5.476
   12PA     H18 8433 -10.287   4.098  -5.564
   12PA     H19 8434 -10.453   4.077  -5.483
   12PA    Ch20 8435 -10.318   4.244  -5.409
   12PA     H21 8436 -10.210   4.234  -5.408
   12PA     H22 8437 -10.354   4.261  -5.307
   12PA    Ch23 8438 -10.361   4.363  -5.493
   12PA     H24 8439 -10.444   4.338  -5.560
   12PA     H25 8440 -10.394   4.438  -5.421
   12PA    Ch26 8441 -10.247   4.422  -5.574
   12PA     H27 8442 -10.198   4.341  -5.628
   12PA     H28 8443 -10.162   4.458  -5.515
   12PA    Ch29 8444 -10.302   4.529  -5.668
   12PA     H30 8445 -10.358   4.480  -5.748
   12PA     H31 8446 -10.376   4.592  -5.618
   12PA    Ch32 8447 -10.211   4.627  -5.741
   12PA     H33 8448 -10.157   4.688  -5.669
   12PA     H34 8449 -10.278   4.693  -5.797
   12PA     N35 8450 -10.128   4.558  -5.837
   12PA    Hn36 8451 -10.151   4.460  -5.833
   12PA    Ca37 8452 -10.001   4.577  -5.873
   12PA     O38 8453  -9.970   4.670  -5.947
   12PA    Ch39 8454  -9.912   4.461  -5.830
   12PA     H40 8455  -9.973   4.372  -5.844
   12PA     H41 8456  -9.817   4.454  -5.884
   12PA    Ch42 8457  -9.856   4.441  -5.690
   12PA     H43 8458  -9.810   4.342  -5.687
   12PA     H44 8459  -9.943   4.436  -5.624
   12PA    Ch45 8460  -9.758   4.546  -5.638
   12PA     H46 8461  -9.675   4.500  -5.585
   12PA     H47 8462  -9.717   4.577  -5.735
   12PA    Ch48 8463  -9.811   4.646  -5.536
   12PA     H49 8464  -9.916   4.622  -5.517
   12PA     H50 8465  -9.809   4.738  -5.594
   12PA    Ca51 8466  -9.729   4.644  -5.407
   12PA     O52 8467  -9.776   4.603  -5.302
   12PA     N53 8468  -9.651   4.750  -5.384
   12PA    Hn54 8469  -9.559   4.711  -5.390
   12PA    Ch55 8470  -9.669   4.877  -5.315
   12PA     H56 8471  -9.768   4.920  -5.331
   12PA     H57 8472  -9.650   4.847  -5.212
   12PA    Ch58 8473  -9.570   4.991  -5.331
   12PA     H59 8474  -9.492   4.953  -5.397
   12PA     H60 8475  -9.550   5.045  -5.238
   12PA    Ch61 8476  -9.616   5.113  -5.411
   12PA     H62 8477  -9.644   5.087  -5.513
   12PA     H63 8478  -9.703   5.168  -5.377
   12PA    Ch64 8479  -9.495   5.207  -5.412
   12PA     H65 8480  -9.419   5.167  -5.479
   12PA     H66 8481  -9.455   5.212  -5.310
   12PA    Ch67 8482  -9.504   5.352  -5.457
   12PA     H68 8483  -9.578   5.399  -5.393
   12PA     H69 8484  -9.416   5.406  -5.422
   12PA    Ch70 8485  -9.527   5.358  -5.608
   12PA     H71 8486  -9.624   5.336  -5.654
   12PA     H72 8487  -9.457   5.285  -5.650
   12PA     N73 8488  -9.497   5.496  -5.639
   12PA    Hn74 8489  -9.537   5.561  -5.573
   12PA    Ca75 8490  -9.491   5.564  -5.754
   12PA     O76 8491  -9.380   5.590  -5.799
   12PA    Ch77 8492  -9.616   5.637  -5.802
   12PA     H78 8493  -9.588   5.691  -5.893
   12PA     H79 8494  -9.690   5.560  -5.825
   12PA    Ch80 8495  -9.687   5.734  -5.710
   12PA     H81 8496  -9.617   5.793  -5.650
   12PA     H82 8497  -9.749   5.662  -5.656
   12PA    Ch83 8498  -9.786   5.838  -5.760
   12PA     H84 8499  -9.744   5.905  -5.835
   12PA     H85 8500  -9.868   5.785  -5.811
   12PA    Ch86 8501  -9.840   5.931  -5.652
   12PA     H87 8502  -9.865   6.036  -5.670
   12PA     H88 8503  -9.767   5.953  -5.575
   12PA    Ca89 8504  -9.952   5.867  -5.572
   12PA     O90 8505  -9.922   5.808  -5.469
   12PA     N91 8506 -10.078   5.878  -5.615
   12PA    Hn92 8507 -10.098   5.962  -5.669
   12PA    Ch93 8508 -10.159   5.772  -5.671
   12PA     H94 8509 -10.107   5.693  -5.724
   12PA     H95 8510 -10.184   5.722  -5.577
   12PA    Ch96 8511 -10.279   5.814  -5.756
   12PA     H97 8512 -10.252   5.886  -5.834
   12PA     H98 8513 -10.359   5.871  -5.710
   12PA    Ch99 8514 -10.363   5.699  -5.809
   12PA    H100 8515 -10.300   5.625  -5.858
   12PA    H101 8516 -10.395   5.645  -5.719
   12PA   Ch102 8517 -10.473   5.743  -5.905
   12PA    H103 8518 -10.438   5.830  -5.961
   12PA    H104 8519 -10.559   5.792  -5.860
   12PA   Ch105 8520 -10.548   5.633  -5.978
   12PA    H106 8521 -10.577   5.567  -5.896
   12PA    H107 8522 -10.629   5.672  -6.039
   12PA   Ch108 8523 -10.463   5.573  -6.090
   12PA    H109 8524 -10.359   5.601  -6.077
   12PA    H110 8525 -10.487   5.604  -6.192
   12PA    N111 8526 -10.485   5.430  -6.079
   12PA   Hn112 8527 -10.466   5.388  -5.989
   12PA   Ca113 8528 -10.461   5.327  -6.161
   12PA    O114 8529 -10.526   5.322  -6.265
   12PA   Ch115 8530 -10.329   5.253  -6.153
   12PA    H116 8531 -10.306   5.205  -6.249
   12PA    H117 8532 -10.251   5.328  -6.140
   12PA   Ch118 8533 -10.325   5.143  -6.048
   12PA    H119 8534 -10.405   5.073  -6.073
   12PA    H120 8535 -10.321   5.186  -5.948
   12PA   Ch121 8536 -10.205   5.050  -6.054
   12PA    H122 8537 -10.188   5.005  -6.152
   12PA    H123 8538 -10.122   5.108  -6.012
   12PA   Ch124 8539 -10.226   4.931  -5.961
   12PA    H125 8540 -10.183   4.845  -6.012
   12PA    H126 8541 -10.334   4.920  -5.949
   12PA   Ca127 8542 -10.162   4.952  -5.825
   12PA    O128 8543 -10.232   5.019  -5.750
   12PA    N129 8544 -10.033   4.923  -5.806
   12PA   Hn130 8545  -9.985   4.838  -5.834
   12PA   Ch131 8546  -9.920   5.012  -5.785
   12PA    H132 8547  -9.931   5.113  -5.824
   12PA    H133 8548  -9.876   5.013  -5.685
   12PA   Ch134 8549  -9.803   4.939  -5.848
   12PA    H135 8550  -9.842   4.937  -5.950
   12PA    H136 8551  -9.782   4.838  -5.810
   12PA   Ch137 8552  -9.671   5.012  -5.828
   12PA    H138 8553  -9.686   5.119  -5.819
   12PA    H139 8554  -9.627   5.006  -5.729
   12PA   Ch140 8555  -9.561   4.958  -5.919
   12PA    H141 8556  -9.583   4.924  -6.021
   12PA    H142 8557  -9.530   4.867  -5.868
   12PA   Ch143 8558  -9.445   5.056  -5.937
   12PA    H144 8559  -9.480   5.140  -5.997
   12PA    H145 8560  -9.433   5.100  -5.838
   12PA   Ch146 8561  -9.328   5.016  -6.025
   12PA    H147 8562  -9.263   5.102  -6.046
   12PA    H148 8563  -9.362   4.992  -6.126
   12PA    N149 8564  -9.253   4.914  -5.954
   12PA   Hn150 8565  -9.302   4.833  -5.920
   12PA   Ca151 8566  -9.130   4.922  -5.903
   12PA    O152 8567  -9.067   4.841  -5.970
   12PA   Ch153 8568  -9.123   4.920  -5.751
   12PA    H154 8569  -9.147   4.820  -5.715
   12PA    H155 8570  -9.019   4.917  -5.718
   12PA   Ch156 8571  -9.182   5.031  -5.664
   12PA    H157 8572  -9.189   5.002  -5.559
   12PA    H158 8573  -9.278   5.039  -5.715
   12PA   Ch159 8574  -9.127   5.172  -5.684
   12PA    H160 8575  -9.160   5.208  -5.782
   12PA    H161 8576  -9.182   5.242  -5.620
   12PA   Ch162 8577  -8.978   5.191  -5.659
   12PA    H163 8578  -8.950   5.100  -5.605
   12PA    H164 8579  -8.962   5.273  -5.590
   12PA   Ca165 8580  -8.900   5.205  -5.789
   12PA    O166 8581  -8.871   5.100  -5.846
   12PA    N167 8582  -8.828   5.315  -5.811
   12PA   Hn168 8583  -8.901   5.374  -5.775
   12PA   Ch169 8584  -8.684   5.330  -5.795
   12PA    H170 8585  -8.646   5.273  -5.710
   12PA    H171 8586  -8.629   5.289  -5.880
   12PA   Ch172 8587  -8.638   5.475  -5.787
   12PA    H173 8588  -8.686   5.530  -5.707
   12PA    H174 8589  -8.680   5.512  -5.881
   12PA   Ch175 8590  -8.486   5.491  -5.794
   12PA    H176 8591  -8.440   5.410  -5.738
   12PA    H177 8592  -8.456   5.490  -5.899
   12PA   Ch178 8593  -8.446   5.629  -5.744
   12PA    H179 8594  -8.509   5.671  -5.665
   12PA    H180 8595  -8.459   5.714  -5.811
   12PA   Ch181 8596  -8.303   5.630  -5.692
   12PA    H182 8597  -8.311   5.568  -5.602
   12PA    H183 8598  -8.238   5.587  -5.768
   12PA   Ch184 8599  -8.243   5.764  -5.652
   12PA    H185 8600  -8.230   5.778  -5.545
   12PA    H186 8601  -8.320   5.835  -5.680
   12PA    N187 8602  -8.110   5.792  -5.703
   12PA   Hn188 8603  -8.052   5.712  -5.725
   12PA   Ca189 8604  -8.020   5.871  -5.645
   12PA    O190 8605  -8.035   5.990  -5.671
   12PA   Ch191 8606  -7.951   5.812  -5.523
   12PA    H192 8607  -8.002   5.841  -5.431
   12PA    H193 8608  -7.945   5.704  -5.531
   12PA   Ch194 8609  -7.804   5.848  -5.508
   12PA    H195 8610  -7.766   5.916  -5.584
   12PA    H196 8611  -7.748   5.755  -5.517
   12PA   Ch197 8612  -7.747   5.893  -5.373
   12PA    H198 8613  -7.804   5.965  -5.315
   12PA    H199 8614  -7.740   5.807  -5.307
   12PA   Ch200 8615  -7.608   5.954  -5.387
   12PA    H201 8616  -7.615   6.037  -5.457
   12PA    H202 8617  -7.545   5.869  -5.414
   12PA   Ca203 8618  -7.530   6.020  -5.274
   12PA    O204 8619  -7.585   6.086  -5.187
   12PA    N205 8620  -7.399   5.994  -5.267
   12PA   Hn206 8621  -7.346   6.034  -5.344
   12PA   Ch207 8622  -7.345   5.891  -5.180
   12PA    H208 8623  -7.373   5.910  -5.076
   12PA    H209 8624  -7.387   5.795  -5.211
   12PA   Ch210 8625  -7.200   5.866  -5.216
   12PA    H211 8626  -7.128   5.946  -5.234
   12PA    H212 8627  -7.195   5.781  -5.284
   12PA   Ch213 8628  -7.134   5.794  -5.099
   12PA    H214 8629  -7.121   5.859  -5.013
   12PA    H215 8630  -7.184   5.702  -5.069
   12PA   Ch216 8631  -6.995   5.735  -5.117
   12PA    H217 8632  -6.917   5.806  -5.144
   12PA    H218 8633  -7.018   5.674  -5.204
   12PA   Ch219 8634  -6.951   5.623  -5.023
   12PA    H220 8635  -6.981   5.661  -4.925
   12PA    H221 8636  -7.015   5.544  -5.064
   12PA   Ch222 8637  -6.803   5.589  -5.021
   12PA    H223 8638  -6.747   5.676  -4.987
   12PA    H224 8639  -6.770   5.582  -5.124
   12PA    N225 8640  -6.769   5.485  -4.925
   12PA   Hn226 8641  -6.709   5.513  -4.849
   12PA   Ca227 8642  -6.745   5.360  -4.965
   12PA    O228 8643  -6.828   5.284  -5.014
   12PA   Ch229 8644  -6.597   5.330  -4.949
   12PA    H230 8645  -6.579   5.263  -4.865
   12PA    H231 8646  -6.585   5.245  -5.016
   12PA   Ch232 8647  -6.474   5.409  -4.993
   12PA    H233 8648  -6.479   5.518  -4.996
   12PA    H234 8649  -6.435   5.395  -5.094
   12PA   Ch235 8650  -6.356   5.368  -4.907
   12PA    H236 8651  -6.383   5.405  -4.807
   12PA    H237 8652  -6.356   5.259  -4.905
   12PA   Ch238 8653  -6.226   5.423  -4.963
   12PA    H239 8654  -6.244   5.525  -4.928
   12PA    H240 8655  -6.214   5.429  -5.071
   12PA   Ca241 8656  -6.112   5.368  -4.878
   12PA    O242 8657  -6.078   5.423  -4.774
   12PA    N243 8658  -6.036   5.268  -4.924
   12PA   Hn244 8659  -6.091   5.190  -4.957
   12PA   Ch245 8660  -5.908   5.286  -4.990
   12PA    H246 8661  -5.923   5.280  -5.098
   12PA    H247 8662  -5.860   5.380  -4.962
   12PA   Ch248 8663  -5.832   5.161  -4.949
   12PA    H249 8664  -5.881   5.083  -5.008
   12PA    H250 8665  -5.822   5.121  -4.847
   12PA   Ch251 8666  -5.692   5.165  -5.008
   12PA    H252 8667  -5.711   5.174  -5.115
   12PA    H253 8668  -5.627   5.251  -4.990
   12PA   Ch254 8669  -5.604   5.047  -4.970
   12PA    H255 8670  -5.661   4.955  -4.984
   12PA    H256 8671  -5.582   5.063  -4.865
   12PA   Ch257 8672  -5.474   5.030  -5.047
   12PA    H258 8673  -5.484   5.041  -5.155
   12PA    H259 8674  -5.403   5.109  -5.020
   12PA   Ch260 8675  -5.381   4.921  -4.997
   12PA    H261 8676  -5.445   4.833  -4.998
   12PA    H262 8677  -5.356   4.933  -4.891
   12PA    N263 8678  -5.259   4.914  -5.075
   12PA   Hn264 8679  -5.232   4.997  -5.127
   12PA   Ca265 8680  -5.217   4.802  -5.135
   12PA    O266 8681  -5.183   4.706  -5.066
   12PA   Ch267 8682  -5.228   4.801  -5.287
   12PA    H268 8683  -5.206   4.700  -5.321
   12PA    H269 8684  -5.332   4.810  -5.318
   12PA   Ch270 8685  -5.117   4.884  -5.352
   12PA    H271 8686  -5.027   4.824  -5.364
   12PA    H272 8687  -5.075   4.956  -5.282
   12PA   Ch273 8688  -5.159   4.958  -5.478
   12PA    H274 8689  -5.200   4.876  -5.536
   12PA    H275 8690  -5.220   5.049  -5.477
   12PA   Ch276 8691  -5.034   4.984  -5.561
   12PA    H277 8692  -4.944   4.941  -5.516
   12PA    H278 8693  -5.032   5.093  -5.562
   12PA   Ca279 8694  -5.011   4.936  -5.703
   12PA    O280 8695  -5.017   4.815  -5.723
   12PA    N281 8696  -5.025   5.011  -5.813
   12PA   Hn282 8697  -4.982   5.100  -5.793
   12PA   Ch283 8698  -5.140   5.022  -5.900
   12PA    H284 8699  -5.165   4.934  -5.959
   12PA    H285 8700  -5.228   5.006  -5.838
   12PA   Ch286 8701  -5.149   5.155  -5.973
   12PA    H287 8702  -5.160   5.120  -6.076
   12PA    H288 8703  -5.058   5.213  -5.955
   12PA   Ch289 8704  -5.268   5.243  -5.937
   12PA    H290 8705  -5.345   5.171  -5.968
   12PA    H291 8706  -5.270   5.264  -5.830
   12PA   Ch292 8707  -5.269   5.374  -6.015
   12PA    H293 8708  -5.206   5.370  -6.105
   12PA    H294 8709  -5.230   5.456  -5.955
   12PA   Ch295 8710  -5.411   5.406  -6.057
   12PA    H296 8711  -5.425   5.340  -6.144
   12PA    H297 8712  -5.486   5.383  -5.981
   12PA   Ch298 8713  -5.436   5.549  -6.102
   12PA    H299 8714  -5.363   5.576  -6.178
   12PA    H300 8715  -5.428   5.612  -6.013
   12PA    N301 8716  -5.578   5.573  -6.113
   12PA   Hn302 8717  -5.643   5.497  -6.128
   12PA   Ca303 8718  -5.642   5.687  -6.143
   12PA    O304 8719  -5.643   5.784  -6.067
   12PA   Ch305 8720  -5.685   5.698  -6.288
   12PA    H306 8721  -5.610   5.756  -6.342
   12PA    H307 8722  -5.683   5.603  -6.342
   12PA   Ch308 8723  -5.803   5.784  -6.330
   12PA    H309 8724  -5.828   5.846  -6.244
   12PA    H310 8725  -5.884   5.710  -6.335
   12PA   Ch311 8726  -5.796   5.877  -6.450
   12PA    H312 8727  -5.884   5.942  -6.458
   12PA    H313 8728  -5.710   5.943  -6.436
   12PA   Ch314 8729  -5.769   5.809  -6.583
   12PA    H315 8730  -5.863   5.771  -6.624
   12PA    H316 8731  -5.724   5.710  -6.569
   12PA   Ca317 8732  -5.711   5.886  -6.701
   12PA    O318 8733  -5.794   5.940  -6.774
   12PA    N319 8734  -5.597   5.841  -6.753
   12PA   Hn320 8735  -5.525   5.852  -6.683
   12PA   Ch321 8736  -5.585   5.745  -6.860
   12PA    H322 8737  -5.676   5.684  -6.859
   12PA    H323 8738  -5.570   5.793  -6.957
   12PA   Ch324 8739  -5.472   5.647  -6.831
   12PA    H325 8740  -5.466   5.652  -6.722
   12PA    H326 8741  -5.384   5.684  -6.884
   12PA   Ch327 8742  -5.494   5.509  -6.891
   12PA    H328 8743  -5.579   5.466  -6.838
   12PA    H329 8744  -5.510   5.521  -6.999
   12PA   Ch330 8745  -5.381   5.408  -6.880
   12PA    H331 8746  -5.359   5.365  -6.782
   12PA    H332 8747  -5.288   5.454  -6.915
   12PA   Ch333 8748  -5.384   5.276  -6.956
   12PA    H334 8749  -5.462   5.207  -6.922
   12PA    H335 8750  -5.414   5.293  -7.060
   12PA   Ch336 8751  -5.263   5.185  -6.959
   12PA    H337 8752  -5.188   5.236  -6.898
   12PA    H338 8753  -5.218   5.196  -7.058
   12PA    N339 8754  -5.274   5.045  -6.921
   12PA   Hn340 8755  -5.355   5.001  -6.962
   12PA   Ca341 8756  -5.231   4.973  -6.817
   12PA    O342 8757  -5.118   4.927  -6.814
   12PA   Ch343 8758  -5.326   4.952  -6.700
   12PA    H344 8759  -5.408   5.023  -6.701
   12PA    H345 8760  -5.378   4.865  -6.741
   12PA   Ch346 8761  -5.286   4.966  -6.554
   12PA    H347 8762  -5.259   5.071  -6.540
   12PA    H348 8763  -5.192   4.915  -6.531
   12PA   Ch349 8764  -5.392   4.927  -6.452
   12PA    H350 8765  -5.476   4.996  -6.443
   12PA    H351 8766  -5.465   4.857  -6.496
   12PA   Ch352 8767  -5.334   4.851  -6.334
   12PA    H353 8768  -5.249   4.907  -6.294
   12PA    H354 8769  -5.289   4.753  -6.350
   12PA   Ca355 8770  -5.437   4.840  -6.223
   12PA    O356 8771  -5.419   4.903  -6.119
   12PA    N357 8772  -5.535   4.750  -6.228
   12PA   Hn358 8773  -5.608   4.793  -6.284
   12PA   Ch359 8774  -5.563   4.623  -6.164
   12PA    H360 8775  -5.497   4.564  -6.227
   12PA    H361 8776  -5.532   4.635  -6.060
   12PA   Ch362 8777  -5.709   4.587  -6.187
   12PA    H363 8778  -5.718   4.478  -6.178
   12PA    H364 8779  -5.747   4.614  -6.286
   12PA   Ch365 8780  -5.793   4.615  -6.063
   12PA    H366 8781  -5.888   4.568  -6.088
   12PA    H367 8782  -5.743   4.563  -5.981
   12PA   Ch368 8783  -5.811   4.762  -6.030
   12PA    H369 8784  -5.818   4.809  -6.128
   12PA    H370 8785  -5.714   4.797  -5.995
   12PA   Ch371 8786  -5.929   4.808  -5.945
   12PA    H372 8787  -5.932   4.916  -5.962
   12PA    H373 8788  -6.015   4.748  -5.974
   12PA   Ch374 8789  -5.916   4.803  -5.793
   12PA    H375 8790  -5.839   4.877  -5.769
   12PA    H376 8791  -5.898   4.699  -5.768
   12PA    N377 8792  -6.045   4.851  -5.748
   12PA   Hn378 8793  -6.109   4.835  -5.825
   12PA   Ca379 8794  -6.082   4.819  -5.624
   12PA    O380 8795  -6.063   4.894  -5.528
   12PA   Ch381 8796  -6.191   4.716  -5.603
   12PA    H382 8797  -6.195   4.642  -5.684
   12PA    H383 8798  -6.162   4.641  -5.529
   12PA   Ch384 8799  -6.328   4.772  -5.569
   12PA    H385 8800  -6.398   4.719  -5.634
   12PA    H386 8801  -6.340   4.872  -5.609
   12PA   Ch387 8802  -6.354   4.777  -5.419
   12PA    H388 8803  -6.331   4.677  -5.380
   12PA    H389 8804  -6.274   4.841  -5.382
   12PA   Ch390 8805  -6.487   4.848  -5.394
   12PA    H391 8806  -6.503   4.930  -5.464
   12PA    H392 8807  -6.471   4.904  -5.302
   12PA   Ca393 8808  -6.619   4.776  -5.375
   12PA    O394 8809  -6.648   4.732  -5.263
   12PA    N395 8810  -6.641   4.694  -5.478
   12PA   Hn396 8811  -6.547   4.658  -5.488
   12PA   Ch397 8812  -6.743   4.717  -5.578
   12PA    H398 8813  -6.836   4.663  -5.563
   12PA    H399 8814  -6.758   4.826  -5.573
   12PA   Ch400 8815  -6.698   4.676  -5.717
   12PA    H401 8816  -6.591   4.657  -5.722
   12PA    H402 8817  -6.748   4.744  -5.786
   12PA   Ch403 8818  -6.740   4.543  -5.778
   12PA    H404 8819  -6.685   4.510  -5.867
   12PA    H405 8820  -6.725   4.464  -5.704
   12PA   Ch406 8821  -6.890   4.539  -5.806
   12PA    H407 8822  -6.924   4.633  -5.849
   12PA    H408 8823  -6.953   4.536  -5.717
   12PA   Ch409 8824  -6.935   4.425  -5.897
   12PA    H410 8825  -6.884   4.424  -5.993
   12PA    H411 8826  -6.911   4.333  -5.843
   12PA   Ch412 8827  -7.084   4.422  -5.932
   12PA    H413 8828  -7.111   4.393  -6.033
   12PA    H414 8829  -7.117   4.525  -5.942
   12PA    N415 8830  -7.160   4.334  -5.846
   12PA   Hn416 8831  -7.118   4.335  -5.754
   12PA   Ca417 8832  -7.292   4.320  -5.835
   12PA    O418 8833  -7.354   4.248  -5.912
   12PA   Ch419 8834  -7.379   4.414  -5.751
   12PA    H420 8835  -7.359   4.398  -5.645
   12PA    H421 8836  -7.346   4.518  -5.760
   12PA   Ch422 8837  -7.527   4.438  -5.776
   12PA    H423 8838  -7.569   4.339  -5.796
   12PA    H424 8839  -7.562   4.495  -5.862
   12PA   Ch425 8840  -7.587   4.522  -5.663
   12PA    H426 8841  -7.591   4.441  -5.590
   12PA    H427 8842  -7.526   4.603  -5.622
   12PA   Ch428 8843  -7.732   4.559  -5.692
   12PA    H429 8844  -7.780   4.474  -5.741
   12PA    H430 8845  -7.739   4.628  -5.776
   12PA   Ca431 8846  -7.811   4.618  -5.577
   12PA    O432 8847  -7.861   4.730  -5.584
   12PA    N433 8848  -7.866   4.536  -5.487
   12PA   Hn434 8849  -7.949   4.500  -5.533
   12PA   Ch435 8850  -7.819   4.514  -5.352
   12PA    H436 8851  -7.710   4.515  -5.350
   12PA    H437 8852  -7.865   4.601  -5.303
   12PA   Ch438 8853  -7.885   4.407  -5.267
   12PA    H439 8854  -7.897   4.319  -5.332
   12PA    H440 8855  -7.985   4.435  -5.234
   12PA   Ch441 8856  -7.805   4.372  -5.142
   12PA    H442 8857  -7.707   4.346  -5.181
   12PA    H443 8858  -7.782   4.454  -5.074
   12PA   Ch444 8859  -7.872   4.267  -5.053
   12PA    H445 8860  -7.977   4.264  -5.084
   12PA    H446 8861  -7.856   4.295  -4.949
   12PA   Ch447 8862  -7.806   4.131  -5.060
   12PA    H448 8863  -7.697   4.139  -5.070
   12PA    H449 8864  -7.850   4.089  -4.970
   12PA   Ch450 8865  -7.845   4.042  -5.178
   12PA    H451 8866  -7.839   4.083  -5.278
   12PA    H452 8867  -7.943   3.993  -5.186
   12PA    N453 8868  -7.756   3.929  -5.159
   12PA   Hn454 8869  -7.702   3.924  -5.074
   12PA   Ca455 8870  -7.741   3.814  -5.225
   12PA    O456 8871  -7.734   3.821  -5.347
   12PA   Ch457 8872  -7.818   3.693  -5.174
   12PA    H458 8873  -7.900   3.740  -5.120
   12PA    H459 8874  -7.868   3.641  -5.255
   12PA   Ch460 8875  -7.744   3.580  -5.103
   12PA    H461 8876  -7.771   3.570  -4.998
   12PA    H462 8877  -7.639   3.611  -5.103
   12PA   Ch463 8878  -7.738   3.443  -5.169
   12PA    H464 8879  -7.714   3.472  -5.272
   12PA    H465 8880  -7.647   3.388  -5.145
   12PA   Ch466 8881  -7.861   3.358  -5.139
   12PA    H467 8882  -7.859   3.272  -5.206
   12PA    H468 8883  -7.949   3.411  -5.174
   12PA   Ca469 8884  -7.879   3.289  -5.004
   12PA    O470 8885  -7.943   3.345  -4.916
   12PA    N471 8886  -7.808   3.179  -4.975
   12PA   Hn472 8887  -7.816   3.098  -5.035
   12PA   Ch473 8888  -7.692   3.184  -4.889
   12PA    H474 8889  -7.606   3.190  -4.954
   12PA    H475 8890  -7.683   3.257  -4.808
   12PA   Ch476 8891  -7.687   3.057  -4.805
   12PA    H477 8892  -7.681   2.966  -4.865
   12PA    H478 8893  -7.781   3.045  -4.752
   12PA   Ch479 8894  -7.582   3.036  -4.696
   12PA    H480 8895  -7.503   2.982  -4.748
   12PA    H481 8896  -7.528   3.125  -4.663
   12PA   Ch482 8897  -7.632   2.948  -4.582
   12PA    H483 8898  -7.683   2.866  -4.631
   12PA    H484 8899  -7.696   3.005  -4.514
   12PA   Ch485 8900  -7.515   2.876  -4.516
   12PA    H486 8901  -7.469   2.798  -4.577
   12PA    H487 8902  -7.431   2.944  -4.496
   12PA   Ch488 8903  -7.555   2.806  -4.387
   12PA    H489 8904  -7.602   2.709  -4.397
   12PA    H490 8905  -7.604   2.873  -4.316
   12PA    N491 8906  -7.428   2.777  -4.323
   12PA   Hn492 8907  -7.358   2.759  -4.393
   12PA   Ca493 8908  -7.426   2.686  -4.226
   12PA    O494 8909  -7.430   2.714  -4.107
   12PA   Ch495 8910  -7.375   2.552  -4.278
   12PA    H496 8911  -7.361   2.492  -4.188
   12PA    H497 8912  -7.299   2.570  -4.354
   12PA   Ch498 8913  -7.482   2.461  -4.338
   12PA    H499 8914  -7.424   2.420  -4.421
   12PA    H500 8915  -7.558   2.526  -4.382
   12PA   Ch501 8916  -7.520   2.330  -4.270
   12PA    H502 8917  -7.461   2.256  -4.324
   12PA    H503 8918  -7.511   2.332  -4.162
   12PA   Ch504 8919  -7.658   2.269  -4.291
   12PA    H505 8920  -7.670   2.267  -4.399
   12PA    H506 8921  -7.714   2.344  -4.236
   12PA   Ca507 8922  -7.693   2.129  -4.241
   12PA    O508 8923  -7.621   2.036  -4.277
   12PA    N509 8924  -7.800   2.094  -4.169
   12PA   Hn510 8925  -7.876   2.152  -4.203
   12PA   Ch511 8926  -7.795   2.093  -4.024
   12PA    H512 8927  -7.710   2.042  -3.978
   12PA    H513 8928  -7.778   2.197  -3.996
   12PA   Ch514 8929  -7.928   2.044  -3.969
   12PA    H515 8930  -7.958   1.955  -4.025
   12PA    H516 8931  -7.993   2.131  -3.984
   12PA   Ch517 8932  -7.910   2.012  -3.822
   12PA    H518 8933  -7.829   1.940  -3.809
   12PA    H519 8934  -7.883   2.104  -3.768
   12PA   Ch520 8935  -8.040   1.959  -3.764
   12PA    H521 8936  -8.071   1.866  -3.814
   12PA    H522 8937  -8.114   2.031  -3.797
   12PA   Ch523 8938  -8.063   1.930  -3.617
   12PA    H524 8939  -7.984   1.862  -3.585
   12PA    H525 8940  -8.071   2.015  -3.549
   12PA   Ch526 8941  -8.190   1.853  -3.581
   12PA    H527 8942  -8.247   1.798  -3.655
   12PA    H528 8943  -8.256   1.934  -3.548
   12PA    N529 8944  -8.170   1.745  -3.486
   12PA   Hn530 8945  -8.079   1.702  -3.482
   12PA   Ca531 8946  -8.249   1.703  -3.387
   12PA    O532 8947  -8.282   1.793  -3.309
   12PA   Ch533 8948  -8.344   1.589  -3.421
   12PA    H534 8949  -8.276   1.517  -3.467
   12PA    H535 8950  -8.365   1.522  -3.338
   12PA   Ch536 8951  -8.483   1.634  -3.463
   12PA    H537 8952  -8.463   1.726  -3.516
   12PA    H538 8953  -8.548   1.663  -3.379
   12PA   Ch539 8954  -8.562   1.546  -3.559
   12PA    H540 8955  -8.651   1.595  -3.599
   12PA    H541 8956  -8.483   1.508  -3.624
   12PA   Ch542 8957  -8.606   1.411  -3.506
   12PA    H543 8958  -8.648   1.413  -3.406
   12PA    H544 8959  -8.520   1.344  -3.512
   12PA   Ca545 8960  -8.718   1.347  -3.588
   12PA    O546 8961  -8.835   1.377  -3.567
   12PA    N547 8962  -8.698   1.235  -3.659
   12PA   Hn548 8963  -8.678   1.154  -3.601
   12PA   Ch549 8964  -8.644   1.228  -3.793
   12PA    H550 8965  -8.720   1.256  -3.865
   12PA    H551 8966  -8.553   1.285  -3.815
   12PA   Ch552 8967  -8.572   1.097  -3.822
   12PA    H553 8968  -8.641   1.046  -3.890
   12PA    H554 8969  -8.594   1.043  -3.729
   12PA   Ch555 8970  -8.430   1.094  -3.878
   12PA    H556 8971  -8.366   1.152  -3.812
   12PA    H557 8972  -8.386   0.996  -3.896
   12PA   Ch558 8973  -8.443   1.141  -4.022
   12PA    H559 8974  -8.478   1.244  -4.014
   12PA    H560 8975  -8.528   1.104  -4.081
   12PA   Ch561 8976  -8.307   1.149  -4.090
   12PA    H562 8977  -8.244   1.235  -4.069
   12PA    H563 8978  -8.265   1.052  -4.067
   12PA   Ch564 8979  -8.315   1.153  -4.242
   12PA    H565 8980  -8.373   1.233  -4.287
   12PA    H566 8981  -8.368   1.082  -4.306
   12PA    N567 8982  -8.176   1.140  -4.282
   12PA   Hn568 8983  -8.107   1.116  -4.212
   12PA   Ca569 8984  -8.114   1.168  -4.397
   12PA    O570 8985  -8.148   1.103  -4.495
   12PA   Ch571 8986  -7.998   1.267  -4.403
   12PA    H572 8987  -7.950   1.261  -4.305
   12PA    H573 8988  -7.940   1.237  -4.490
   12PA   Ch574 8989  -8.016   1.417  -4.423
   12PA    H575 8990  -8.065   1.452  -4.332
   12PA    H576 8991  -8.096   1.435  -4.495
   12PA   Ch577 8992  -7.896   1.506  -4.453
   12PA    H578 8993  -7.798   1.465  -4.428
   12PA    H579 8994  -7.898   1.503  -4.562
   12PA   Ch580 8995  -7.916   1.651  -4.411
   12PA    H581 8996  -7.862   1.701  -4.331
   12PA    H582 8997  -8.010   1.678  -4.363
   12PA   Ca583 8998  -7.859   1.748  -4.514
   12PA    O584 8999  -7.913   1.855  -4.540
   12PA    N585 9000  -7.744   1.729  -4.580
   12PA   Hn586 9001  -7.675   1.723  -4.507
   12PA   Ch587 9002  -7.722   1.674  -4.712
   12PA    H588 9003  -7.748   1.568  -4.713
   12PA    H589 9004  -7.785   1.709  -4.794
   12PA   Ch590 9005  -7.581   1.698  -4.764
   12PA    H591 9006  -7.514   1.706  -4.678
   12PA    H592 9007  -7.574   1.779  -4.837
   12PA   Ch593 9008  -7.496   1.595  -4.838
   12PA    H594 9009  -7.478   1.525  -4.756
   12PA    H595 9010  -7.556   1.521  -4.889
   12PA   Ch596 9011  -7.357   1.640  -4.883
   12PA    H597 9012  -7.357   1.727  -4.949
   12PA    H598 9013  -7.323   1.566  -4.954
   12PA   Ch599 9014  -7.260   1.669  -4.769
   12PA    H600 9015  -7.276   1.772  -4.736
   12PA    H601 9016  -7.275   1.608  -4.680
   12PA   Ch602 9017  -7.114   1.681  -4.811
   12PA    H603 9018  -7.073   1.767  -4.759
   12PA    H604 9019  -7.088   1.719  -4.910
   12PA    N605 9020  -7.035   1.569  -4.765
   12PA   Hn606 9021  -7.091   1.485  -4.769
   12PA   Ca607 9022  -6.969   1.558  -4.649
   12PA    O608 9023  -6.849   1.585  -4.650
   12PA   Ch609 9024  -7.021   1.472  -4.535
   12PA    H610 9025  -7.129   1.461  -4.543
   12PA    H611 9026  -6.972   1.376  -4.550
   12PA   Ch612 9027  -7.009   1.523  -4.392
   12PA    H613 9028  -7.043   1.626  -4.402
   12PA    H614 9029  -6.906   1.521  -4.354
   12PA   Ch615 9030  -7.082   1.445  -4.283
   12PA    H616 9031  -7.159   1.388  -4.335
   12PA    H617 9032  -7.023   1.375  -4.223
   12PA   Ch618 9033  -7.155   1.540  -4.189
   12PA    H619 9034  -7.243   1.481  -4.163
   12PA    H620 9035  -7.216   1.613  -4.242
   12PA   Ca621 9036  -7.076   1.612  -4.080
   12PA    O622 9037  -6.984   1.692  -4.093
   12PA    N623 9038  -7.123   1.591  -3.957
   12PA   Hn624 9039  -7.093   1.496  -3.942
   12PA   Ch625 9040  -7.211   1.660  -3.864
   12PA    H626 9041  -7.155   1.718  -3.789
   12PA    H627 9042  -7.260   1.739  -3.920
   12PA   Ch628 9043  -7.313   1.568  -3.798
   12PA    H629 9044  -7.254   1.505  -3.731
   12PA    H630 9045  -7.342   1.509  -3.885
   12PA   Ch631 9046  -7.425   1.650  -3.735
   12PA    H632 9047  -7.385   1.727  -3.669
   12PA    H633 9048  -7.477   1.707  -3.812
   12PA   Ch634 9049  -7.526   1.567  -3.657
   12PA    H635 9050  -7.473   1.556  -3.562
   12PA    H636 9051  -7.544   1.462  -3.682
   12PA   Ch637 9052  -7.662   1.624  -3.619
   12PA    H638 9053  -7.647   1.699  -3.542
   12PA    H639 9054  -7.703   1.683  -3.701
   12PA   Ch640 9055  -7.752   1.513  -3.565
   12PA    H641 9056  -7.738   1.410  -3.596
   12PA    H642 9057  -7.852   1.535  -3.603
   12PA    N643 9058  -7.755   1.510  -3.420
   12PA   Hn644 9059  -7.666   1.482  -3.382
   12PA   Ca645 9060  -7.836   1.459  -3.327
   12PA    O646 9061  -7.955   1.472  -3.356
   12PA   Ch647 9062  -7.784   1.363  -3.221
   12PA    H648 9063  -7.793   1.262  -3.260
   12PA    H649 9064  -7.676   1.371  -3.225
   12PA   Ch650 9065  -7.830   1.359  -3.076
   12PA    H651 9066  -7.864   1.257  -3.055
   12PA    H652 9067  -7.921   1.419  -3.067
   12PA   Ch653 9068  -7.730   1.407  -2.972
   12PA    H654 9069  -7.686   1.500  -3.009
   12PA    H655 9070  -7.793   1.411  -2.884
   12PA   Ch656 9071  -7.620   1.304  -2.946
   12PA    H657 9072  -7.544   1.321  -3.023
   12PA    H658 9073  -7.652   1.200  -2.952
   12PA   Ca659 9074  -7.521   1.336  -2.835
   12PA    O660 9075  -7.424   1.410  -2.850
   12PA    N661 9076  -7.532   1.268  -2.721
   12PA   Hn662 9077  -7.538   1.171  -2.751
   12PA   Ch663 9078  -7.587   1.308  -2.593
   12PA    H664 9079  -7.511   1.285  -2.518
   12PA    H665 9080  -7.602   1.414  -2.579
   12PA   Ch666 9081  -7.720   1.240  -2.560
   12PA    H667 9082  -7.751   1.170  -2.638
   12PA    H668 9083  -7.804   1.309  -2.563
   12PA   Ch669 9084  -7.729   1.173  -2.424
   12PA    H670 9085  -7.704   1.261  -2.365
   12PA    H671 9086  -7.836   1.154  -2.415
   12PA   Ch672 9087  -7.637   1.054  -2.398
   12PA    H673 9088  -7.557   1.061  -2.471
   12PA    H674 9089  -7.697   0.966  -2.418
   12PA   Ch675 9090  -7.575   1.051  -2.259
   12PA    H676 9091  -7.502   0.970  -2.260
   12PA    H677 9092  -7.501   1.130  -2.246
   12PA   Ch678 9093  -7.676   1.055  -2.144
   12PA    H679 9094  -7.644   0.977  -2.074
   12PA    H680 9095  -7.781   1.047  -2.171
   12PA    N681 9096  -7.661   1.185  -2.083
   12PA   Hn682 9097  -7.571   1.228  -2.103
   12PA   Ca683 9098  -7.712   1.234  -1.970
   12PA    O684 9099  -7.830   1.208  -1.948
   12PA   Ch685 9100  -7.612   1.220  -1.856
   12PA    H686 9101  -7.614   1.115  -1.827
   12PA    H687 9102  -7.518   1.255  -1.900
   12PA   Ch688 9103  -7.649   1.280  -1.721
   12PA    H689 9104  -7.712   1.196  -1.692
   12PA    H690 9105  -7.726   1.355  -1.741
   12PA   Ch691 9106  -7.535   1.327  -1.632
   12PA    H692 9107  -7.460   1.252  -1.608
   12PA    H693 9108  -7.498   1.408  -1.697
   12PA   Ch694 9109  -7.610   1.392  -1.516
   12PA    H695 9110  -7.707   1.347  -1.494
   12PA    H696 9111  -7.646   1.487  -1.554
   12PA   Ca697 9112  -7.551   1.389  -1.376
   12PA    O698 9113  -7.611   1.368  -1.271
   12PA    N699 9114  -7.439   1.463  -1.378
   12PA   Hn700 9115  -7.488   1.549  -1.398
   12PA   Ch701 9116  -7.300   1.435  -1.408
   12PA    H702 9117  -7.229   1.463  -1.330
   12PA    H703 9118  -7.287   1.327  -1.400
   12PA   Ch704 9119  -7.249   1.486  -1.541
   12PA    H705 9120  -7.320   1.561  -1.576
   12PA    H706 9121  -7.250   1.407  -1.616
   12PA   Ch707 9122  -7.110   1.550  -1.543
   12PA    H708 9123  -7.073   1.623  -1.471
   12PA    H709 9124  -7.035   1.472  -1.540
   12PA   Ch710 9125  -7.097   1.609  -1.683
   12PA    H711 9126  -7.151   1.704  -1.684
   12PA    H712 9127  -7.140   1.553  -1.766
   12PA   Ch713 9128  -6.957   1.635  -1.736
   12PA    H714 9129  -6.958   1.713  -1.812
   12PA    H715 9130  -6.893   1.673  -1.656
   12PA   Ch716 9131  -6.888   1.516  -1.801
   12PA    H717 9132  -6.908   1.520  -1.908
   12PA    H718 9133  -6.938   1.422  -1.778
   12PA    N719 9134  -6.748   1.501  -1.766
   12PA   Hn720 9135  -6.723   1.545  -1.679
   12PA   Ca721 9136  -6.663   1.400  -1.788
   12PA    O722 9137  -6.618   1.379  -1.900
   12PA   Ch723 9138  -6.672   1.289  -1.684
   12PA    H724 9139  -6.740   1.309  -1.600
   12PA    H725 9140  -6.720   1.211  -1.742
   12PA   Ch726 9141  -6.533   1.244  -1.642
   12PA    H727 9142  -6.451   1.262  -1.713
   12PA    H728 9143  -6.507   1.140  -1.667
   12PA   Ch729 9144  -6.490   1.321  -1.518
   12PA    H730 9145  -6.476   1.428  -1.535
   12PA    H731 9146  -6.571   1.321  -1.446
   12PA   Ch732 9147  -6.371   1.258  -1.447
   12PA    H733 9148  -6.387   1.152  -1.466
   12PA    H734 9149  -6.388   1.271  -1.340
   12PA   Ca735 9150  -6.221   1.279  -1.468
   12PA    O736 9151  -6.173   1.335  -1.566
   12PA    N737 9152  -6.149   1.179  -1.418
   12PA   Hn738 9153  -6.186   1.190  -1.325
   12PA   Ch739 9154  -6.041   1.086  -1.446
   12PA    H740 9155  -6.009   1.066  -1.548
   12PA    H741 9156  -5.951   1.139  -1.413
   12PA   Ch742 9157  -6.088   0.960  -1.374
   12PA    H743 9158  -6.140   0.982  -1.281
   12PA    H744 9159  -6.011   0.909  -1.317
   12PA   Ch745 9160  -6.161   0.845  -1.443
   12PA    H746 9161  -6.256   0.891  -1.470
   12PA    H747 9162  -6.130   0.794  -1.534
   12PA   Ch748 9163  -6.203   0.731  -1.350
   12PA    H749 9164  -6.288   0.765  -1.291
   12PA    H750 9165  -6.142   0.715  -1.262
   12PA   Ch751 9166  -6.235   0.588  -1.391
   12PA    H752 9167  -6.251   0.533  -1.298
   12PA    H753 9168  -6.338   0.596  -1.426
   12PA   Ch754 9169  -6.137   0.513  -1.480
   12PA    H755 9170  -6.136   0.552  -1.581
   12PA    H756 9171  -6.177   0.414  -1.504
   12PA    N757 9172  -6.001   0.494  -1.432
   12PA   Hn758 9173  -6.016   0.476  -1.334
   12PA   Ca759 9174  -5.895   0.462  -1.506
   12PA    O760 9175  -5.835   0.546  -1.571
   12PA   Ch761 9176  -5.854   0.315  -1.510
   12PA    H762 9177  -5.836   0.290  -1.614
   12PA    H763 9178  -5.761   0.318  -1.454
   12PA    H764 9179 -10.249   4.000  -4.794
   12PA    H765 9180  -5.920   0.247  -1.456
   13PA     Ch1 9181   8.178 -15.957   2.974
   13PA      H2 9182   8.187 -16.039   3.046
   13PA      H3 9183   8.152 -15.866   3.028
   13PA     Ch4 9184   8.057 -15.986   2.887
   13PA      H5 9185   7.990 -16.045   2.951
   13PA      H6 9186   8.092 -16.064   2.819
   13PA     Ch7 9187   7.975 -15.869   2.834
   13PA      H8 9188   7.920 -15.937   2.768
   13PA      H9 9189   7.944 -15.817   2.924
   13PA    Ch10 9190   8.036 -15.770   2.736
   13PA     H11 9191   8.005 -15.798   2.635
   13PA     H12 9192   8.140 -15.774   2.769
   13PA    Ca13 9193   7.992 -15.627   2.764
   13PA     O14 9194   7.899 -15.587   2.694
   13PA     N15 9195   8.067 -15.542   2.835
   13PA    Hn16 9196   8.095 -15.598   2.914
   13PA    Ch17 9197   8.174 -15.456   2.790
   13PA     H18 9198   8.266 -15.493   2.836
   13PA     H19 9199   8.210 -15.471   2.688
   13PA    Ch20 9200   8.159 -15.309   2.829
   13PA     H21 9201   8.068 -15.285   2.773
   13PA     H22 9202   8.230 -15.260   2.763
   13PA    Ch23 9203   8.136 -15.241   2.963
   13PA     H24 9204   8.035 -15.224   2.999
   13PA     H25 9205   8.179 -15.306   3.039
   13PA    Ch26 9206   8.205 -15.105   2.960
   13PA     H27 9207   8.155 -15.080   2.867
   13PA     H28 9208   8.309 -15.124   2.934
   13PA    Ch29 9209   8.156 -15.009   3.068
   13PA     H30 9210   8.157 -14.902   3.045
   13PA     H31 9211   8.051 -15.029   3.089
   13PA    Ch32 9212   8.241 -15.016   3.194
   13PA     H33 9213   8.334 -14.959   3.190
   13PA     H34 9214   8.268 -15.122   3.192
   13PA     N35 9215   8.156 -14.969   3.301
   13PA    Hn36 9216   8.058 -14.960   3.278
   13PA    Ca37 9217   8.190 -14.890   3.403
   13PA     O38 9218   8.190 -14.769   3.386
   13PA    Ch39 9219   8.212 -14.952   3.541
   13PA     H40 9220   8.156 -14.900   3.619
   13PA     H41 9221   8.177 -15.055   3.545
   13PA    Ch42 9222   8.357 -14.947   3.586
   13PA     H43 9223   8.387 -14.847   3.618
   13PA     H44 9224   8.426 -14.955   3.502
   13PA    Ch45 9225   8.397 -15.041   3.700
   13PA     H46 9226   8.338 -15.052   3.791
   13PA     H47 9227   8.391 -15.131   3.639
   13PA    Ch48 9228   8.547 -15.035   3.729
   13PA     H49 9229   8.584 -14.933   3.732
   13PA     H50 9230   8.610 -15.061   3.644
   13PA    Ca51 9231   8.593 -15.103   3.857
   13PA     O52 9232   8.653 -15.041   3.944
   13PA     N53 9233   8.630 -15.232   3.856
   13PA    Hn54 9234   8.696 -15.234   3.780
   13PA    Ch55 9235   8.544 -15.348   3.857
   13PA     H56 9236   8.467 -15.328   3.931
   13PA     H57 9237   8.491 -15.370   3.763
   13PA    Ch58 9238   8.603 -15.483   3.895
   13PA     H59 9239   8.593 -15.491   4.003
   13PA     H60 9240   8.711 -15.499   3.890
   13PA    Ch61 9241   8.521 -15.605   3.857
   13PA     H62 9242   8.432 -15.605   3.921
   13PA     H63 9243   8.503 -15.583   3.752
   13PA    Ch64 9244   8.600 -15.735   3.851
   13PA     H65 9245   8.643 -15.760   3.949
   13PA     H66 9246   8.676 -15.717   3.775
   13PA    Ch67 9247   8.523 -15.849   3.786
   13PA     H68 9248   8.487 -15.817   3.688
   13PA     H69 9249   8.591 -15.933   3.775
   13PA    Ch70 9250   8.406 -15.887   3.876
   13PA     H71 9251   8.348 -15.798   3.898
   13PA     H72 9252   8.447 -15.938   3.964
   13PA     N73 9253   8.329 -15.981   3.796
   13PA    Hn74 9254   8.382 -16.049   3.745
   13PA    Ca75 9255   8.239 -16.054   3.862
   13PA     O76 9256   8.122 -16.018   3.849
   13PA    Ch77 9257   8.283 -16.185   3.926
   13PA     H78 9258   8.199 -16.195   3.995
   13PA     H79 9259   8.267 -16.265   3.853
   13PA    Ch80 9260   8.392 -16.207   4.031
   13PA     H81 9261   8.361 -16.292   4.092
   13PA     H82 9262   8.417 -16.121   4.093
   13PA    Ch83 9263   8.539 -16.228   3.998
   13PA     H84 9264   8.566 -16.146   3.931
   13PA     H85 9265   8.586 -16.207   4.094
   13PA    Ch86 9266   8.577 -16.364   3.942
   13PA     H87 9267   8.527 -16.407   3.855
   13PA     H88 9268   8.554 -16.442   4.014
   13PA    Ca89 9269   8.727 -16.358   3.917
   13PA     O90 9270   8.818 -16.405   3.986
   13PA     N91 9271   8.759 -16.316   3.794
   13PA    Hn92 9272   8.702 -16.385   3.746
   13PA    Ch93 9273   8.778 -16.183   3.740
   13PA     H94 9274   8.682 -16.134   3.720
   13PA     H95 9275   8.828 -16.126   3.819
   13PA    Ch96 9276   8.835 -16.160   3.601
   13PA     H97 9277   8.765 -16.200   3.527
   13PA     H98 9278   8.932 -16.209   3.609
   13PA    Ch99 9279   8.834 -16.015   3.555
   13PA    H100 9280   8.730 -15.983   3.556
   13PA    H101 9281   8.886 -15.938   3.612
   13PA   Ch102 9282   8.898 -16.007   3.417
   13PA    H103 9283   8.853 -15.934   3.349
   13PA    H104 9284   8.890 -16.104   3.367
   13PA   Ch105 9285   9.042 -15.969   3.388
   13PA    H106 9286   9.047 -15.871   3.436
   13PA    H107 9287   9.100 -16.024   3.462
   13PA   Ch108 9288   9.105 -15.958   3.249
   13PA    H109 9289   9.122 -15.854   3.220
   13PA    H110 9290   9.022 -16.011   3.202
   13PA    N111 9291   9.226 -16.037   3.241
   13PA   Hn112 9292   9.287 -16.028   3.321
   13PA   Ca113 9293   9.299 -16.034   3.130
   13PA    O114 9294   9.263 -16.082   3.023
   13PA   Ch115 9295   9.427 -15.951   3.128
   13PA    H116 9296   9.462 -15.963   3.230
   13PA    H117 9297   9.505 -15.977   3.058
   13PA   Ch118 9298   9.412 -15.799   3.122
   13PA    H119 9299   9.442 -15.755   3.218
   13PA    H120 9300   9.306 -15.779   3.108
   13PA   Ch121 9301   9.491 -15.719   3.019
   13PA    H122 9302   9.598 -15.733   3.034
   13PA    H123 9303   9.456 -15.762   2.925
   13PA   Ch124 9304   9.421 -15.584   3.011
   13PA    H125 9305   9.318 -15.583   2.975
   13PA    H126 9306   9.451 -15.519   2.929
   13PA   Ca127 9307   9.446 -15.478   3.117
   13PA    O128 9308   9.359 -15.458   3.201
   13PA    N129 9309   9.560 -15.409   3.125
   13PA   Hn130 9310   9.574 -15.381   3.029
   13PA   Ch131 9311   9.671 -15.416   3.218
   13PA    H132 9312   9.646 -15.479   3.304
   13PA    H133 9313   9.751 -15.457   3.156
   13PA   Ch134 9314   9.720 -15.273   3.235
   13PA    H135 9315   9.637 -15.208   3.261
   13PA    H136 9316   9.750 -15.245   3.134
   13PA   Ch137 9317   9.840 -15.259   3.328
   13PA    H138 9318   9.821 -15.306   3.424
   13PA    H139 9319   9.906 -15.332   3.281
   13PA   Ch140 9320   9.925 -15.137   3.295
   13PA    H141 9321   9.891 -15.097   3.199
   13PA    H142 9322  10.032 -15.157   3.284
   13PA   Ch143 9323   9.929 -15.020   3.393
   13PA    H144 9324   9.918 -15.074   3.487
   13PA    H145 9325  10.022 -14.964   3.400
   13PA   Ch146 9326   9.818 -14.918   3.412
   13PA    H147 9327   9.865 -14.879   3.503
   13PA    H148 9328   9.731 -14.964   3.459
   13PA    N149 9329   9.799 -14.839   3.292
   13PA   Hn150 9330   9.878 -14.809   3.236
   13PA   Ca151 9331   9.746 -14.717   3.305
   13PA    O152 9332   9.628 -14.697   3.278
   13PA   Ch153 9333   9.835 -14.594   3.311
   13PA    H154 9334   9.780 -14.504   3.339
   13PA    H155 9335   9.894 -14.613   3.400
   13PA   Ch156 9336   9.923 -14.553   3.194
   13PA    H157 9337   9.860 -14.556   3.105
   13PA    H158 9338   9.980 -14.644   3.178
   13PA   Ch159 9339   9.996 -14.422   3.221
   13PA    H160 9340   9.934 -14.341   3.257
   13PA    H161 9341  10.065 -14.452   3.300
   13PA   Ch162 9342  10.087 -14.362   3.115
   13PA    H163 9343  10.035 -14.342   3.021
   13PA    H164 9344  10.151 -14.447   3.092
   13PA   Ca165 9345  10.165 -14.241   3.165
   13PA    O166 9346  10.227 -14.241   3.270
   13PA    N167 9347  10.150 -14.129   3.093
   13PA   Hn168 9348  10.156 -14.151   2.995
   13PA   Ch169 9349  10.063 -14.014   3.108
   13PA    H170 9350   9.971 -14.041   3.056
   13PA    H171 9351  10.023 -13.997   3.208
   13PA   Ch172 9352  10.123 -13.899   3.028
   13PA    H173 9353  10.135 -13.944   2.929
   13PA    H174 9354  10.217 -13.869   3.075
   13PA   Ch175 9355  10.053 -13.766   3.000
   13PA    H176 9356  10.076 -13.709   2.910
   13PA    H177 9357   9.946 -13.773   2.976
   13PA   Ch178 9358  10.078 -13.652   3.098
   13PA    H179 9359  10.063 -13.553   3.055
   13PA    H180 9360  10.174 -13.659   3.150
   13PA   Ch181 9361   9.973 -13.658   3.209
   13PA    H182 9362   9.877 -13.653   3.159
   13PA    H183 9363   9.968 -13.760   3.248
   13PA   Ch184 9364  10.003 -13.553   3.315
   13PA    H185 9365  10.001 -13.459   3.259
   13PA    H186 9366  10.105 -13.558   3.352
   13PA    N187 9367   9.900 -13.566   3.416
   13PA   Hn188 9368   9.826 -13.505   3.388
   13PA   Ca189 9369   9.925 -13.495   3.526
   13PA    O190 9370  10.004 -13.546   3.605
   13PA   Ch191 9371   9.891 -13.346   3.525
   13PA    H192 9372   9.993 -13.314   3.504
   13PA    H193 9373   9.820 -13.322   3.446
   13PA   Ch194 9374   9.845 -13.298   3.662
   13PA    H195 9375   9.939 -13.267   3.709
   13PA    H196 9376   9.802 -13.374   3.728
   13PA   Ch197 9377   9.726 -13.205   3.678
   13PA    H198 9378   9.717 -13.153   3.774
   13PA    H199 9379   9.726 -13.151   3.583
   13PA   Ch200 9380   9.590 -13.270   3.654
   13PA    H201 9381   9.553 -13.337   3.732
   13PA    H202 9382   9.585 -13.337   3.569
   13PA   Ca203 9383   9.471 -13.180   3.623
   13PA    O204 9384   9.469 -13.075   3.688
   13PA    N205 9385   9.366 -13.219   3.551
   13PA   Hn206 9386   9.363 -13.319   3.558
   13PA   Ch207 9387   9.333 -13.154   3.425
   13PA    H208 9388   9.405 -13.077   3.399
   13PA    H209 9389   9.351 -13.233   3.352
   13PA   Ch210 9390   9.182 -13.133   3.428
   13PA    H211 9391   9.148 -13.069   3.346
   13PA    H212 9392   9.164 -13.087   3.525
   13PA   Ch213 9393   9.089 -13.253   3.417
   13PA    H214 9394   9.130 -13.322   3.344
   13PA    H215 9395   9.090 -13.306   3.512
   13PA   Ch216 9396   8.946 -13.200   3.404
   13PA    H217 9397   8.926 -13.140   3.315
   13PA    H218 9398   8.917 -13.146   3.494
   13PA   Ch219 9399   8.843 -13.311   3.399
   13PA    H220 9400   8.869 -13.349   3.300
   13PA    H221 9401   8.888 -13.386   3.464
   13PA   Ch222 9402   8.696 -13.271   3.403
   13PA    H223 9403   8.659 -13.305   3.307
   13PA    H224 9404   8.688 -13.162   3.403
   13PA    N225 9405   8.622 -13.341   3.506
   13PA   Hn226 9406   8.608 -13.441   3.502
   13PA   Ca227 9407   8.619 -13.311   3.637
   13PA    O228 9408   8.618 -13.197   3.684
   13PA   Ch229 9409   8.706 -13.410   3.712
   13PA    H230 9410   8.638 -13.417   3.797
   13PA    H231 9411   8.699 -13.510   3.667
   13PA   Ch232 9412   8.842 -13.374   3.771
   13PA    H233 9413   8.832 -13.337   3.873
   13PA    H234 9414   8.882 -13.287   3.718
   13PA   Ch235 9415   8.927 -13.498   3.791
   13PA    H236 9416   8.903 -13.558   3.880
   13PA    H237 9417   8.917 -13.554   3.698
   13PA   Ch238 9418   9.070 -13.451   3.814
   13PA    H239 9419   9.073 -13.441   3.923
   13PA    H240 9420   9.079 -13.362   3.752
   13PA   Ca241 9421   9.180 -13.534   3.748
   13PA    O242 9422   9.255 -13.483   3.666
   13PA    N243 9423   9.214 -13.644   3.816
   13PA   Hn244 9424   9.116 -13.658   3.836
   13PA   Ch245 9425   9.327 -13.654   3.908
   13PA    H246 9426   9.397 -13.728   3.868
   13PA    H247 9427   9.381 -13.560   3.911
   13PA   Ch248 9428   9.301 -13.682   4.055
   13PA    H249 9429   9.375 -13.751   4.096
   13PA    H250 9430   9.215 -13.750   4.052
   13PA   Ch251 9431   9.255 -13.573   4.150
   13PA    H252 9432   9.190 -13.507   4.092
   13PA    H253 9433   9.180 -13.616   4.217
   13PA   Ch254 9434   9.354 -13.484   4.224
   13PA    H255 9435   9.379 -13.421   4.138
   13PA    H256 9436   9.433 -13.550   4.262
   13PA   Ch257 9437   9.284 -13.411   4.338
   13PA    H258 9438   9.187 -13.374   4.306
   13PA    H259 9439   9.250 -13.492   4.402
   13PA   Ch260 9440   9.368 -13.316   4.423
   13PA    H261 9441   9.446 -13.273   4.360
   13PA    H262 9442   9.413 -13.387   4.493
   13PA    N263 9443   9.291 -13.213   4.489
   13PA   Hn264 9444   9.208 -13.229   4.543
   13PA   Ca265 9445   9.267 -13.086   4.453
   13PA    O266 9446   9.353 -13.000   4.440
   13PA   Ch267 9447   9.128 -13.063   4.397
   13PA    H268 9448   9.136 -12.990   4.316
   13PA    H269 9449   9.104 -13.163   4.360
   13PA   Ch270 9450   9.010 -13.039   4.491
   13PA    H271 9451   9.050 -13.072   4.587
   13PA    H272 9452   8.931 -13.101   4.448
   13PA   Ch273 9453   8.964 -12.894   4.498
   13PA    H274 9454   9.042 -12.819   4.508
   13PA    H275 9455   8.928 -12.855   4.402
   13PA   Ch276 9456   8.859 -12.862   4.603
   13PA    H277 9457   8.908 -12.781   4.657
   13PA    H278 9458   8.849 -12.938   4.681
   13PA   Ca279 9459   8.722 -12.818   4.553
   13PA    O280 9460   8.678 -12.712   4.597
   13PA    N281 9461   8.633 -12.904   4.503
   13PA   Hn282 9462   8.699 -12.942   4.436
   13PA   Ch283 9463   8.516 -12.960   4.567
   13PA    H284 9464   8.548 -12.955   4.671
   13PA    H285 9465   8.430 -12.892   4.562
   13PA   Ch286 9466   8.483 -13.094   4.503
   13PA    H287 9467   8.555 -13.176   4.513
   13PA    H288 9468   8.450 -13.084   4.400
   13PA   Ch289 9469   8.353 -13.156   4.554
   13PA    H290 9470   8.335 -13.138   4.660
   13PA    H291 9471   8.261 -13.113   4.513
   13PA   Ch292 9472   8.341 -13.306   4.535
   13PA    H293 9473   8.400 -13.306   4.444
   13PA    H294 9474   8.238 -13.340   4.523
   13PA   Ch295 9475   8.384 -13.415   4.633
   13PA    H296 9476   8.414 -13.386   4.734
   13PA    H297 9477   8.304 -13.488   4.645
   13PA   Ch298 9478   8.488 -13.496   4.555
   13PA    H299 9479   8.577 -13.435   4.541
   13PA    H300 9480   8.444 -13.536   4.465
   13PA    N301 9481   8.525 -13.604   4.644
   13PA   Hn302 9482   8.465 -13.612   4.725
   13PA   Ca303 9483   8.594 -13.716   4.623
   13PA    O304 9484   8.716 -13.729   4.639
   13PA   Ch305 9485   8.506 -13.840   4.632
   13PA    H306 9486   8.580 -13.919   4.645
   13PA    H307 9487   8.470 -13.831   4.735
   13PA   Ch308 9488   8.426 -13.871   4.507
   13PA    H309 9489   8.478 -13.883   4.412
   13PA    H310 9490   8.363 -13.788   4.473
   13PA   Ch311 9491   8.345 -13.998   4.531
   13PA    H312 9492   8.381 -14.051   4.618
   13PA    H313 9493   8.248 -13.951   4.548
   13PA   Ch314 9494   8.323 -14.093   4.414
   13PA    H315 9495   8.375 -14.184   4.442
   13PA    H316 9496   8.370 -14.051   4.325
   13PA   Ca317 9497   8.181 -14.121   4.366
   13PA    O318 9498   8.132 -14.043   4.284
   13PA    N319 9499   8.116 -14.224   4.419
   13PA   Hn320 9500   8.136 -14.312   4.371
   13PA   Ch321 9501   8.021 -14.201   4.526
   13PA    H322 9502   8.061 -14.128   4.596
   13PA    H323 9503   7.935 -14.145   4.490
   13PA   Ch324 9504   7.993 -14.328   4.606
   13PA    H325 9505   8.043 -14.303   4.700
   13PA    H326 9506   8.036 -14.426   4.582
   13PA   Ch327 9507   7.849 -14.368   4.634
   13PA    H328 9508   7.773 -14.290   4.642
   13PA    H329 9509   7.811 -14.404   4.538
   13PA   Ch330 9510   7.835 -14.488   4.727
   13PA    H331 9511   7.903 -14.480   4.812
   13PA    H332 9512   7.894 -14.574   4.695
   13PA   Ch333 9513   7.689 -14.502   4.769
   13PA    H334 9514   7.682 -14.565   4.857
   13PA    H335 9515   7.664 -14.409   4.820
   13PA   Ch336 9516   7.580 -14.520   4.664
   13PA    H337 9517   7.613 -14.565   4.570
   13PA    H338 9518   7.543 -14.419   4.647
   13PA    N339 9519   7.473 -14.611   4.701
   13PA   Hn340 9520   7.451 -14.606   4.800
   13PA   Ca341 9521   7.388 -14.668   4.616
   13PA    O342 9522   7.424 -14.743   4.525
   13PA   Ch343 9523   7.252 -14.602   4.600
   13PA    H344 9524   7.256 -14.495   4.620
   13PA    H345 9525   7.235 -14.580   4.494
   13PA   Ch346 9526   7.118 -14.658   4.646
   13PA    H347 9527   7.134 -14.691   4.748
   13PA    H348 9528   7.088 -14.747   4.589
   13PA   Ch349 9529   6.998 -14.567   4.627
   13PA    H350 9530   7.030 -14.462   4.627
   13PA    H351 9531   6.995 -14.568   4.518
   13PA   Ch352 9532   6.868 -14.613   4.693
   13PA    H353 9533   6.892 -14.609   4.799
   13PA    H354 9534   6.848 -14.714   4.655
   13PA   Ca355 9535   6.742 -14.531   4.672
   13PA    O356 9536   6.695 -14.452   4.753
   13PA    N357 9537   6.682 -14.523   4.553
   13PA   Hn358 9538   6.693 -14.444   4.491
   13PA   Ch359 9539   6.573 -14.603   4.502
   13PA    H360 9540   6.586 -14.700   4.551
   13PA    H361 9541   6.476 -14.561   4.529
   13PA   Ch362 9542   6.588 -14.606   4.351
   13PA    H363 9543   6.516 -14.684   4.324
   13PA    H364 9544   6.680 -14.627   4.296
   13PA   Ch365 9545   6.522 -14.485   4.285
   13PA    H366 9546   6.416 -14.487   4.307
   13PA    H367 9547   6.554 -14.401   4.346
   13PA   Ch368 9548   6.559 -14.454   4.140
   13PA    H369 9549   6.515 -14.356   4.120
   13PA    H370 9550   6.482 -14.514   4.093
   13PA   Ch371 9551   6.702 -14.470   4.090
   13PA    H372 9552   6.787 -14.438   4.150
   13PA    H373 9553   6.720 -14.578   4.086
   13PA   Ch374 9554   6.728 -14.394   3.960
   13PA    H375 9555   6.699 -14.294   3.991
   13PA    H376 9556   6.656 -14.399   3.878
   13PA    N377 9557   6.857 -14.421   3.899
   13PA   Hn378 9558   6.861 -14.507   3.846
   13PA   Ca379 9559   6.955 -14.349   3.844
   13PA    O380 9560   7.027 -14.273   3.908
   13PA   Ch381 9561   6.934 -14.347   3.693
   13PA    H382 9562   7.031 -14.313   3.658
   13PA    H383 9563   6.913 -14.450   3.664
   13PA   Ch384 9564   6.822 -14.257   3.642
   13PA    H385 9565   6.833 -14.157   3.683
   13PA    H386 9566   6.744 -14.315   3.690
   13PA   Ch387 9567   6.825 -14.276   3.491
   13PA    H388 9568   6.912 -14.220   3.456
   13PA    H389 9569   6.863 -14.377   3.472
   13PA   Ch390 9570   6.704 -14.245   3.403
   13PA    H391 9571   6.612 -14.245   3.461
   13PA    H392 9572   6.690 -14.326   3.331
   13PA   Ca393 9573   6.703 -14.102   3.350
   13PA    O394 9574   6.701 -14.011   3.432
   13PA    N395 9575   6.638 -14.081   3.235
   13PA   Hn396 9576   6.689 -14.148   3.179
   13PA   Ch397 9577   6.504 -14.053   3.188
   13PA    H398 9578   6.450 -14.141   3.153
   13PA    H399 9579   6.450 -14.016   3.275
   13PA   Ch400 9580   6.485 -13.952   3.075
   13PA    H401 9581   6.467 -13.998   2.978
   13PA    H402 9582   6.576 -13.899   3.047
   13PA   Ch403 9583   6.374 -13.854   3.111
   13PA    H404 9584   6.276 -13.903   3.107
   13PA    H405 9585   6.383 -13.829   3.217
   13PA   Ch406 9586   6.374 -13.740   3.010
   13PA    H407 9587   6.298 -13.745   2.932
   13PA    H408 9588   6.462 -13.718   2.950
   13PA   Ch409 9589   6.358 -13.604   3.079
   13PA    H410 9590   6.281 -13.617   3.154
   13PA    H411 9591   6.460 -13.581   3.109
   13PA   Ch412 9592   6.307 -13.495   2.986
   13PA    H413 9593   6.226 -13.503   2.912
   13PA    H414 9594   6.381 -13.482   2.907
   13PA    N415 9595   6.288 -13.375   3.065
   13PA   Hn416 9596   6.376 -13.351   3.108
   13PA   Ca417 9597   6.245 -13.258   3.017
   13PA    O418 9598   6.132 -13.248   2.969
   13PA   Ch419 9599   6.327 -13.132   2.994
   13PA    H420 9600   6.285 -13.067   2.918
   13PA    H421 9601   6.327 -13.088   3.094
   13PA   Ch422 9602   6.472 -13.153   2.953
   13PA    H423 9603   6.485 -13.182   2.848
   13PA    H424 9604   6.504 -13.246   3.000
   13PA   Ch425 9605   6.575 -13.041   2.954
   13PA    H426 9606   6.564 -12.945   2.903
   13PA    H427 9607   6.602 -13.009   3.055
   13PA   Ch428 9608   6.713 -13.097   2.923
   13PA    H429 9609   6.731 -13.177   2.995
   13PA    H430 9610   6.792 -13.027   2.951
   13PA   Ca431 9611   6.762 -13.134   2.784
   13PA    O432 9612   6.682 -13.139   2.691
   13PA    N433 9613   6.892 -13.146   2.758
   13PA   Hn434 9614   6.942 -13.073   2.808
   13PA   Ch435 9615   6.938 -13.280   2.728
   13PA    H436 9616   6.912 -13.354   2.804
   13PA    H437 9617   6.879 -13.307   2.641
   13PA   Ch438 9618   7.090 -13.287   2.742
   13PA    H439 9619   7.111 -13.253   2.843
   13PA    H440 9620   7.118 -13.219   2.662
   13PA   Ch441 9621   7.145 -13.425   2.709
   13PA    H442 9622   7.101 -13.514   2.753
   13PA    H443 9623   7.108 -13.442   2.607
   13PA   Ch444 9624   7.296 -13.440   2.691
   13PA    H445 9625   7.348 -13.499   2.766
   13PA    H446 9626   7.344 -13.346   2.664
   13PA   Ch447 9627   7.332 -13.511   2.561
   13PA    H448 9628   7.280 -13.606   2.566
   13PA    H449 9629   7.316 -13.449   2.473
   13PA   Ch450 9630   7.478 -13.554   2.558
   13PA    H451 9631   7.511 -13.566   2.661
   13PA    H452 9632   7.522 -13.474   2.497
   13PA    N453 9633   7.514 -13.684   2.506
   13PA   Hn454 9634   7.449 -13.761   2.495
   13PA   Ca455 9635   7.620 -13.735   2.443
   13PA    O456 9636   7.698 -13.670   2.375
   13PA   Ch457 9637   7.680 -13.857   2.513
   13PA    H458 9638   7.787 -13.847   2.496
   13PA    H459 9639   7.675 -13.835   2.620
   13PA   Ch460 9640   7.608 -13.983   2.469
   13PA    H461 9641   7.502 -13.981   2.496
   13PA    H462 9642   7.630 -14.060   2.543
   13PA   Ch463 9643   7.638 -14.021   2.325
   13PA    H464 9644   7.601 -13.952   2.248
   13PA    H465 9645   7.740 -14.017   2.285
   13PA   Ch466 9646   7.562 -14.145   2.280
   13PA    H467 9647   7.589 -14.153   2.175
   13PA    H468 9648   7.453 -14.141   2.277
   13PA   Ca469 9649   7.607 -14.277   2.340
   13PA    O470 9650   7.581 -14.298   2.458
   13PA    N471 9651   7.684 -14.363   2.273
   13PA   Hn472 9652   7.766 -14.320   2.233
   13PA   Ch473 9653   7.639 -14.478   2.197
   13PA    H474 9654   7.589 -14.551   2.261
   13PA    H475 9655   7.558 -14.441   2.134
   13PA   Ch476 9656   7.758 -14.545   2.130
   13PA    H477 9657   7.814 -14.480   2.063
   13PA    H478 9658   7.705 -14.586   2.045
   13PA   Ch479 9659   7.837 -14.652   2.204
   13PA    H480 9660   7.938 -14.665   2.163
   13PA    H481 9661   7.864 -14.617   2.304
   13PA   Ch482 9662   7.784 -14.794   2.215
   13PA    H483 9663   7.822 -14.854   2.132
   13PA    H484 9664   7.680 -14.816   2.192
   13PA   Ch485 9665   7.827 -14.851   2.350
   13PA    H486 9666   7.929 -14.830   2.380
   13PA    H487 9667   7.775 -14.805   2.434
   13PA   Ch488 9668   7.789 -14.996   2.371
   13PA    H489 9669   7.812 -15.055   2.282
   13PA    H490 9670   7.686 -15.007   2.407
   13PA    N491 9671   7.867 -15.046   2.483
   13PA   Hn492 9672   7.956 -15.073   2.444
   13PA   Ca493 9673   7.833 -15.136   2.575
   13PA    O494 9674   7.756 -15.119   2.670
   13PA   Ch495 9675   7.896 -15.272   2.546
   13PA    H496 9676   8.004 -15.259   2.541
   13PA    H497 9677   7.898 -15.319   2.644
   13PA   Ch498 9678   7.839 -15.363   2.438
   13PA    H499 9679   7.765 -15.311   2.378
   13PA    H500 9680   7.768 -15.429   2.489
   13PA   Ch501 9681   7.924 -15.465   2.363
   13PA    H502 9682   8.009 -15.440   2.300
   13PA    H503 9683   7.950 -15.540   2.439
   13PA   Ch504 9684   7.840 -15.529   2.253
   13PA    H505 9685   7.815 -15.458   2.175
   13PA    H506 9686   7.747 -15.568   2.295
   13PA   Ca507 9687   7.892 -15.642   2.165
   13PA    O508 9688   7.974 -15.628   2.075
   13PA    N509 9689   7.896 -15.759   2.228
   13PA   Hn510 9690   7.802 -15.750   2.264
   13PA   Ch511 9691   8.007 -15.836   2.282
   13PA    H512 9692   8.103 -15.802   2.245
   13PA    H513 9693   8.012 -15.820   2.390
   13PA   Ch514 9694   7.983 -15.984   2.252
   13PA    H515 9695   8.070 -16.022   2.199
   13PA    H516 9696   7.911 -16.003   2.172
   13PA   Ch517 9697   7.926 -16.057   2.373
   13PA    H518 9698   8.001 -16.041   2.451
   13PA    H519 9699   7.835 -16.012   2.413
   13PA   Ch520 9700   7.929 -16.207   2.345
   13PA    H521 9701   8.025 -16.243   2.309
   13PA    H522 9702   7.852 -16.232   2.271
   13PA   Ch523 9703   7.905 -16.298   2.464
   13PA    H524 9704   7.916 -16.395   2.417
   13PA    H525 9705   7.990 -16.276   2.529
   13PA   Ch526 9706   7.769 -16.286   2.532
   13PA    H527 9707   7.685 -16.261   2.467
   13PA    H528 9708   7.773 -16.208   2.609
   13PA    N529 9709   7.737 -16.403   2.611
   13PA   Hn530 9710   7.804 -16.479   2.609
   13PA   Ca531 9711   7.663 -16.407   2.723
   13PA    O532 9712   7.550 -16.445   2.692
   13PA   Ch533 9713   7.726 -16.440   2.857
   13PA    H534 9714   7.647 -16.494   2.909
   13PA    H535 9715   7.803 -16.517   2.851
   13PA   Ch536 9716   7.770 -16.333   2.957
   13PA    H537 9717   7.700 -16.291   3.029
   13PA    H538 9718   7.813 -16.241   2.918
   13PA   Ch539 9719   7.879 -16.385   3.050
   13PA    H540 9720   7.875 -16.491   3.076
   13PA    H541 9721   7.971 -16.370   2.994
   13PA   Ch542 9722   7.908 -16.330   3.189
   13PA    H543 9723   7.828 -16.358   3.257
   13PA    H544 9724   7.893 -16.222   3.189
   13PA   Ca545 9725   8.041 -16.342   3.262
   13PA    O546 9726   8.124 -16.252   3.272
   13PA    N547 9727   8.062 -16.464   3.312
   13PA   Hn548 9728   8.020 -16.482   3.402
   13PA   Ch549 9729   8.118 -16.586   3.256
   13PA    H550 9730   8.041 -16.633   3.193
   13PA    H551 9731   8.206 -16.570   3.194
   13PA   Ch552 9732   8.164 -16.678   3.368
   13PA    H553 9733   8.084 -16.702   3.438
   13PA    H554 9734   8.268 -16.655   3.392
   13PA   Ch555 9735   8.186 -16.819   3.314
   13PA    H556 9736   8.094 -16.868   3.282
   13PA    H557 9737   8.254 -16.813   3.229
   13PA   Ch558 9738   8.255 -16.908   3.416
   13PA    H559 9739   8.225 -17.005   3.374
   13PA    H560 9740   8.192 -16.898   3.505
   13PA   Ch561 9741   8.404 -16.904   3.446
   13PA    H562 9742   8.439 -17.007   3.439
   13PA    H563 9743   8.450 -16.856   3.360
   13PA   Ch564 9744   8.442 -16.816   3.564
   13PA    H565 9745   8.430 -16.874   3.656
   13PA    H566 9746   8.393 -16.720   3.544
   13PA    N567 9747   8.582 -16.778   3.558
   13PA   Hn568 9748   8.638 -16.850   3.514
   13PA   Ca569 9749   8.662 -16.703   3.634
   13PA    O570 9750   8.640 -16.588   3.672
   13PA   Ch571 9751   8.761 -16.790   3.710
   13PA    H572 9752   8.710 -16.876   3.753
   13PA    H573 9753   8.826 -16.826   3.630
   13PA   Ch574 9754   8.870 -16.728   3.797
   13PA    H575 9755   8.794 -16.669   3.849
   13PA    H576 9756   8.941 -16.651   3.766
   13PA   Ch577 9757   8.921 -16.819   3.907
   13PA    H578 9758   8.832 -16.879   3.927
   13PA    H579 9759   8.978 -16.887   3.843
   13PA   Ch580 9760   9.021 -16.753   4.001
   13PA    H581 9761   9.069 -16.665   3.959
   13PA    H582 9762   9.108 -16.819   4.006
   13PA   Ca583 9763   8.988 -16.718   4.145
   13PA    O584 9764   9.082 -16.694   4.221
   13PA    N585 9765   8.874 -16.756   4.205
   13PA   Hn586 9766   8.798 -16.728   4.145
   13PA   Ch587 9767   8.845 -16.882   4.271
   13PA    H588 9768   8.842 -16.964   4.199
   13PA    H589 9769   8.925 -16.903   4.342
   13PA   Ch590 9770   8.711 -16.859   4.340
   13PA    H591 9771   8.643 -16.822   4.263
   13PA    H592 9772   8.738 -16.787   4.417
   13PA   Ch593 9773   8.640 -16.983   4.392
   13PA    H594 9774   8.636 -17.056   4.311
   13PA    H595 9775   8.683 -17.021   4.486
   13PA   Ch596 9776   8.491 -16.962   4.412
   13PA    H597 9777   8.439 -16.924   4.324
   13PA    H598 9778   8.478 -16.878   4.480
   13PA   Ch599 9779   8.427 -17.097   4.440
   13PA    H600 9780   8.418 -17.149   4.344
   13PA    H601 9781   8.500 -17.148   4.504
   13PA   Ch602 9782   8.295 -17.064   4.507
   13PA    H603 9783   8.250 -16.991   4.439
   13PA    H604 9784   8.323 -17.013   4.599
   13PA    N605 9785   8.211 -17.182   4.509
   13PA   Hn606 9786   8.196 -17.228   4.420
   13PA   Ca607 9787   8.092 -17.206   4.564
   13PA    O608 9788   8.062 -17.186   4.682
   13PA   Ch609 9789   7.977 -17.203   4.465
   13PA    H610 9790   8.001 -17.286   4.399
   13PA    H611 9791   7.896 -17.251   4.520
   13PA   Ch612 9792   7.915 -17.078   4.403
   13PA    H613 9793   7.978 -16.989   4.408
   13PA    H614 9794   7.826 -17.044   4.457
   13PA   Ch615 9795   7.895 -17.105   4.255
   13PA    H616 9796   7.850 -17.201   4.230
   13PA    H617 9797   7.819 -17.032   4.227
   13PA   Ch618 9798   8.011 -17.082   4.159
   13PA    H619 9799   8.095 -17.131   4.208
   13PA    H620 9800   8.040 -16.981   4.185
   13PA   Ca621 9801   7.999 -17.124   4.013
   13PA    O622 9802   8.070 -17.218   3.979
   13PA    N623 9803   7.949 -17.036   3.925
   13PA   Hn624 9804   7.856 -17.025   3.961
   13PA   Ch625 9805   8.004 -16.939   3.832
   13PA    H626 9806   8.058 -16.859   3.883
   13PA    H627 9807   8.067 -17.004   3.770
   13PA   Ch628 9808   7.884 -16.875   3.764
   13PA    H629 9809   7.856 -16.779   3.805
   13PA    H630 9810   7.788 -16.920   3.793
   13PA   Ch631 9811   7.920 -16.866   3.616
   13PA    H632 9812   8.017 -16.817   3.609
   13PA    H633 9813   7.919 -16.970   3.583
   13PA   Ch634 9814   7.832 -16.793   3.516
   13PA    H635 9815   7.847 -16.686   3.503
   13PA    H636 9816   7.732 -16.805   3.557
   13PA   Ch637 9817   7.798 -16.862   3.384
   13PA    H638 9818   7.880 -16.921   3.342
   13PA    H639 9819   7.716 -16.929   3.409
   13PA   Ch640 9820   7.750 -16.773   3.270
   13PA    H641 9821   7.817 -16.701   3.223
   13PA    H642 9822   7.675 -16.710   3.319
   13PA    N643 9823   7.685 -16.852   3.167
   13PA   Hn644 9824   7.689 -16.953   3.175
   13PA   Ca645 9825   7.675 -16.830   3.036
   13PA    O646 9826   7.638 -16.718   3.002
   13PA   Ch647 9827   7.775 -16.898   2.945
   13PA    H648 9828   7.716 -16.929   2.858
   13PA    H649 9829   7.855 -16.825   2.927
   13PA   Ch650 9830   7.832 -17.033   2.985
   13PA    H651 9831   7.758 -17.108   3.014
   13PA    H652 9832   7.919 -17.050   3.048
   13PA   Ch653 9833   7.881 -17.103   2.859
   13PA    H654 9834   7.908 -17.203   2.893
   13PA    H655 9835   7.799 -17.122   2.791
   13PA   Ch656 9836   8.007 -17.059   2.785
   13PA    H657 9837   8.100 -17.081   2.838
   13PA    H658 9838   8.010 -16.954   2.756
   13PA   Ca659 9839   8.021 -17.138   2.655
   13PA    O660 9840   8.035 -17.260   2.654
   13PA    N661 9841   7.966 -17.082   2.547
   13PA   Hn662 9842   7.883 -17.033   2.575
   13PA   Ch663 9843   8.038 -17.031   2.432
   13PA    H664 9844   8.016 -16.925   2.419
   13PA    H665 9845   8.146 -17.040   2.440
   13PA   Ch666 9846   8.001 -17.117   2.312
   13PA    H667 9847   7.892 -17.128   2.307
   13PA    H668 9848   8.033 -17.220   2.324
   13PA   Ch669 9849   8.034 -17.058   2.176
   13PA    H670 9850   7.965 -16.983   2.138
   13PA    H671 9851   8.133 -17.014   2.193
   13PA   Ch672 9852   8.041 -17.166   2.069
   13PA    H673 9853   7.951 -17.225   2.051
   13PA    H674 9854   8.120 -17.240   2.087
   13PA   Ch675 9855   8.089 -17.133   1.928
   13PA    H676 9856   8.041 -17.035   1.922
   13PA    H677 9857   8.192 -17.101   1.914
   13PA   Ch678 9858   8.035 -17.218   1.813
   13PA    H679 9859   7.928 -17.200   1.815
   13PA    H680 9860   8.050 -17.324   1.834
   13PA    N681 9861   8.097 -17.190   1.685
   13PA   Hn682 9862   8.198 -17.199   1.682
   13PA   Ca683 9863   8.056 -17.208   1.559
   13PA    O684 9864   7.935 -17.190   1.542
   13PA   Ch685 9865   8.113 -17.334   1.496
   13PA    H686 9866   8.059 -17.351   1.402
   13PA    H687 9867   8.193 -17.277   1.448
   13PA   Ch688 9868   8.116 -17.471   1.563
   13PA    H689 9869   8.015 -17.481   1.601
   13PA    H690 9870   8.182 -17.453   1.648
   13PA   Ch691 9871   8.168 -17.584   1.475
   13PA    H692 9872   8.110 -17.571   1.383
   13PA    H693 9873   8.275 -17.579   1.453
   13PA   Ch694 9874   8.144 -17.728   1.515
   13PA    H695 9875   8.157 -17.732   1.623
   13PA    H696 9876   8.237 -17.783   1.500
   13PA   Ca697 9877   8.034 -17.820   1.464
   13PA    O698 9878   8.050 -17.865   1.351
   13PA    N699 9879   7.986 -17.901   1.559
   13PA   Hn700 9880   7.946 -17.845   1.634
   13PA   Ch701 9881   8.048 -18.028   1.591
   13PA    H702 9882   8.136 -18.021   1.656
   13PA    H703 9883   8.076 -18.095   1.509
   13PA   Ch704 9884   7.945 -18.117   1.659
   13PA    H705 9885   7.889 -18.175   1.585
   13PA    H706 9886   7.879 -18.054   1.719
   13PA   Ch707 9887   8.010 -18.222   1.748
   13PA    H708 9888   8.095 -18.264   1.694
   13PA    H709 9889   8.037 -18.171   1.840
   13PA   Ch710 9890   7.915 -18.336   1.784
   13PA    H711 9891   7.893 -18.368   1.682
   13PA    H712 9892   7.818 -18.293   1.810
   13PA   Ch713 9893   7.953 -18.454   1.871
   13PA    H714 9894   8.049 -18.491   1.834
   13PA    H715 9895   7.968 -18.420   1.974
   13PA   Ch716 9896   7.854 -18.570   1.866
   13PA    H717 9897   7.816 -18.603   1.769
   13PA    H718 9898   7.774 -18.552   1.938
   13PA    N719 9899   7.922 -18.691   1.908
   13PA   Hn720 9900   8.017 -18.699   1.875
   13PA   Ca721 9901   7.899 -18.774   2.010
   13PA    O722 9902   7.788 -18.822   2.033
   13PA   Ch723 9903   7.984 -18.734   2.130
   13PA    H724 9904   8.065 -18.667   2.099
   13PA    H725 9905   7.915 -18.667   2.182
   13PA   Ch726 9906   8.019 -18.841   2.232
   13PA    H727 9907   8.058 -18.926   2.176
   13PA    H728 9908   7.931 -18.876   2.287
   13PA   Ch729 9909   8.130 -18.795   2.326
   13PA    H730 9910   8.210 -18.832   2.262
   13PA    H731 9911   8.141 -18.690   2.354
   13PA   Ch732 9912   8.123 -18.863   2.462
   13PA    H733 9913   8.143 -18.969   2.449
   13PA    H734 9914   8.017 -18.855   2.484
   13PA   Ca735 9915   8.213 -18.826   2.579
   13PA    O736 9916   8.157 -18.769   2.672
   13PA    N737 9917   8.345 -18.828   2.559
   13PA   Hn738 9918   8.372 -18.922   2.533
   13PA   Ch739 9919   8.451 -18.732   2.535
   13PA    H740 9920   8.429 -18.657   2.458
   13PA    H741 9921   8.437 -18.689   2.635
   13PA   Ch742 9922   8.587 -18.795   2.511
   13PA    H743 9923   8.567 -18.892   2.467
   13PA    H744 9924   8.631 -18.803   2.610
   13PA   Ch745 9925   8.679 -18.710   2.425
   13PA    H746 9926   8.621 -18.688   2.335
   13PA    H747 9927   8.718 -18.630   2.489
   13PA   Ch748 9928   8.813 -18.771   2.386
   13PA    H749 9929   8.893 -18.742   2.454
   13PA    H750 9930   8.834 -18.705   2.302
   13PA   Ch751 9931   8.805 -18.911   2.325
   13PA    H752 9932   8.773 -18.969   2.412
   13PA    H753 9933   8.732 -18.916   2.244
   13PA   Ch754 9934   8.931 -18.987   2.286
   13PA    H755 9935   9.012 -18.989   2.358
   13PA    H756 9936   8.951 -18.948   2.186
   13PA    N757 9937   8.894 -19.126   2.268
   13PA   Hn758 9938   8.846 -19.138   2.180
   13PA   Ca759 9939   8.973 -19.232   2.287
   13PA    O760 9940   9.029 -19.251   2.395
   13PA   Ch761 9941   9.032 -19.300   2.164
   13PA    H762 9942   9.023 -19.406   2.187
   13PA    H763 9943   8.977 -19.266   2.076
   13PA    H764 9944   8.266 -15.948   2.910
   13PA    H765 9945   9.133 -19.266   2.140
   14PA     Ch1 9946  -2.722  11.913   4.312
   14PA      H2 9947  -2.816  11.959   4.283
   14PA      H3 9948  -2.722  11.864   4.410
   14PA     Ch4 9949  -2.609  12.015   4.301
   14PA      H5 9950  -2.586  12.068   4.394
   14PA      H6 9951  -2.629  12.091   4.226
   14PA     Ch7 9952  -2.470  11.952   4.292
   14PA      H8 9953  -2.460  11.865   4.357
   14PA      H9 9954  -2.467  11.883   4.207
   14PA    Ch10 9955  -2.340  12.030   4.300
   14PA     H11 9956  -2.343  12.095   4.387
   14PA     H12 9957  -2.334  12.094   4.212
   14PA    Ca13 9958  -2.206  11.959   4.312
   14PA     O14 9959  -2.145  11.948   4.418
   14PA     N15 9960  -2.138  11.907   4.209
   14PA    Hn16 9961  -2.192  11.830   4.171
   14PA    Ch17 9962  -2.056  11.978   4.113
   14PA     H18 9963  -2.101  12.075   4.091
   14PA     H19 9964  -1.973  12.013   4.175
   14PA    Ch20 9965  -2.003  11.881   4.009
   14PA     H21 9966  -2.083  11.835   3.951
   14PA     H22 9967  -1.941  11.810   4.063
   14PA    Ch23 9968  -1.936  11.955   3.894
   14PA     H24 9969  -2.001  12.028   3.846
   14PA     H25 9970  -1.851  12.014   3.927
   14PA    Ch26 9971  -1.870  11.868   3.789
   14PA     H27 9972  -1.956  11.812   3.752
   14PA     H28 9973  -1.793  11.797   3.820
   14PA    Ch29 9974  -1.817  11.935   3.662
   14PA     H30 9975  -1.907  11.984   3.623
   14PA     H31 9976  -1.764  12.027   3.686
   14PA    Ch32 9977  -1.759  11.856   3.547
   14PA     H33 9978  -1.751  11.932   3.469
   14PA     H34 9979  -1.805  11.758   3.533
   14PA     N35 9980  -1.625  11.803   3.570
   14PA    Hn36 9981  -1.575  11.796   3.658
   14PA    Ca37 9982  -1.525  11.790   3.483
   14PA     O38 9983  -1.511  11.678   3.435
   14PA    Ch39 9984  -1.427  11.907   3.477
   14PA     H40 9985  -1.458  11.996   3.531
   14PA     H41 9986  -1.361  11.869   3.555
   14PA    Ch42 9987  -1.353  11.943   3.348
   14PA     H43 9988  -1.338  12.051   3.343
   14PA     H44 9989  -1.407  11.927   3.254
   14PA    Ch45 9990  -1.222  11.867   3.339
   14PA     H46 9991  -1.135  11.917   3.382
   14PA     H47 9992  -1.239  11.771   3.387
   14PA    Ch48 9993  -1.192  11.836   3.193
   14PA     H49 9994  -1.085  11.855   3.181
   14PA     H50 9995  -1.217  11.912   3.118
   14PA    Ca51 9996  -1.228  11.697   3.145
   14PA     O52 9997  -1.347  11.694   3.116
   14PA     N53 9998  -1.144  11.636   3.060
   14PA    Hn54 9999  -1.135  11.720   3.005
   14PA    Ch5510000  -1.031  11.549   3.084
   14PA     H5610001  -1.064  11.488   3.168
   14PA     H5710002  -1.035  11.489   2.993
   14PA    Ch5810003  -0.902  11.628   3.102
   14PA     H5910004  -0.829  11.576   3.164
   14PA     H6010005  -0.924  11.722   3.154
   14PA    Ch6110006  -0.843  11.677   2.970
   14PA     H6210007  -0.869  11.610   2.887
   14PA     H6310008  -0.893  11.770   2.946
   14PA    Ch6410009  -0.691  11.681   2.972
   14PA     H6510010  -0.675  11.577   2.947
   14PA     H6610011  -0.669  11.713   3.074
   14PA    Ch6710012  -0.613  11.750   2.862
   14PA     H6810013  -0.508  11.753   2.892
   14PA     H6910014  -0.618  11.696   2.767
   14PA    Ch7010015  -0.649  11.896   2.840
   14PA     H7110016  -0.551  11.926   2.803
   14PA     H7210017  -0.659  11.950   2.935
   14PA     N7310018  -0.744  11.911   2.732
   14PA    Hn7410019  -0.779  11.820   2.706
   14PA    Ca7510020  -0.746  12.001   2.633
   14PA     O7610021  -0.810  12.104   2.651
   14PA    Ch7710022  -0.696  11.962   2.494
   14PA     H7810023  -0.735  11.865   2.464
   14PA     H7910024  -0.722  12.025   2.409
   14PA    Ch8010025  -0.545  11.977   2.479
   14PA     H8110026  -0.490  11.904   2.538
   14PA     H8210027  -0.509  12.078   2.499
   14PA    Ch8310028  -0.491  11.935   2.343
   14PA     H8410029  -0.507  11.828   2.325
   14PA     H8510030  -0.522  12.005   2.266
   14PA    Ch8610031  -0.339  11.939   2.334
   14PA     H8710032  -0.268  11.888   2.400
   14PA     H8810033  -0.311  12.042   2.354
   14PA    Ca8910034  -0.287  11.891   2.199
   14PA     O9010035  -0.307  11.787   2.137
   14PA     N9110036  -0.193  11.971   2.147
   14PA    Hn9210037  -0.133  11.993   2.225
   14PA    Ch9310038  -0.209  12.081   2.054
   14PA     H9410039  -0.311  12.080   2.016
   14PA     H9510040  -0.220  12.169   2.118
   14PA    Ch9610041  -0.093  12.075   1.956
   14PA     H9710042  -0.147  12.075   1.862
   14PA     H9810043  -0.017  11.999   1.973
   14PA    Ch9910044  -0.022  12.209   1.939
   14PA    H10010045  -0.082  12.298   1.958
   14PA    H10110046   0.049  12.216   2.022
   14PA   Ch10210047   0.065  12.225   1.815
   14PA    H10310048   0.081  12.332   1.800
   14PA    H10410049   0.002  12.196   1.731
   14PA   Ch10510050   0.194  12.145   1.830
   14PA    H10610051   0.182  12.082   1.919
   14PA    H10710052   0.213  12.084   1.742
   14PA   Ch10810053   0.313  12.238   1.844
   14PA    H10910054   0.321  12.300   1.933
   14PA    H11010055   0.309  12.323   1.775
   14PA    N11110056   0.435  12.166   1.813
   14PA   Hn11210057   0.492  12.226   1.755
   14PA   Ca11310058   0.518  12.121   1.908
   14PA    O11410059   0.507  12.003   1.941
   14PA   Ch11510060   0.640  12.203   1.947
   14PA    H11610061   0.730  12.141   1.941
   14PA    H11710062   0.656  12.296   1.892
   14PA   Ch11810063   0.617  12.264   2.084
   14PA    H11910064   0.713  12.314   2.099
   14PA    H12010065   0.598  12.176   2.145
   14PA   Ch12110066   0.540  12.385   2.137
   14PA    H12210067   0.541  12.472   2.071
   14PA    H12310068   0.438  12.349   2.129
   14PA   Ch12410069   0.564  12.437   2.278
   14PA    H12510070   0.509  12.531   2.283
   14PA    H12610071   0.660  12.482   2.303
   14PA   Ca12710072   0.495  12.369   2.395
   14PA    O12810073   0.388  12.310   2.384
   14PA    N12910074   0.569  12.327   2.499
   14PA   Hn13010075   0.627  12.262   2.447
   14PA   Ch13110076   0.612  12.377   2.628
   14PA    H13210077   0.661  12.472   2.609
   14PA    H13310078   0.541  12.415   2.701
   14PA   Ch13410079   0.718  12.278   2.677
   14PA    H13510080   0.794  12.335   2.731
   14PA    H13610081   0.794  12.249   2.605
   14PA   Ch13710082   0.678  12.178   2.784
   14PA    H13810083   0.582  12.140   2.749
   14PA    H13910084   0.736  12.085   2.776
   14PA   Ch14010085   0.668  12.241   2.923
   14PA    H14110086   0.608  12.331   2.912
   14PA    H14210087   0.765  12.285   2.948
   14PA   Ch14310088   0.599  12.169   3.037
   14PA    H14410089   0.494  12.140   3.024
   14PA    H14510090   0.663  12.081   3.044
   14PA   Ch14610091   0.611  12.228   3.177
   14PA    H14710092   0.669  12.319   3.193
   14PA    H14810093   0.654  12.151   3.241
   14PA    N14910094   0.483  12.258   3.238
   14PA   Hn15010095   0.439  12.337   3.193
   14PA   Ca15110096   0.395  12.207   3.324
   14PA    O15210097   0.435  12.127   3.409
   14PA   Ch15310098   0.250  12.191   3.280
   14PA    H15410099   0.231  12.272   3.209
   14PA    H15510100   0.250  12.113   3.204
   14PA   Ch15610101   0.131  12.183   3.375
   14PA    H15710102   0.166  12.272   3.427
   14PA    H15810103   0.147  12.100   3.444
   14PA   Ch15910104  -0.007  12.195   3.313
   14PA    H16010105  -0.017  12.242   3.214
   14PA    H16110106  -0.025  12.089   3.296
   14PA   Ch16210107  -0.126  12.231   3.400
   14PA    H16310108  -0.104  12.315   3.467
   14PA    H16410109  -0.143  12.145   3.466
   14PA   Ca16510110  -0.256  12.266   3.329
   14PA    O16610111  -0.263  12.375   3.272
   14PA    N16710112  -0.370  12.198   3.344
   14PA   Hn16810113  -0.417  12.207   3.432
   14PA   Ch16910114  -0.424  12.110   3.242
   14PA    H17010115  -0.420  12.166   3.149
   14PA    H17110116  -0.360  12.022   3.236
   14PA   Ch17210117  -0.563  12.061   3.279
   14PA    H17310118  -0.597  12.056   3.176
   14PA    H17410119  -0.634  12.129   3.327
   14PA   Ch17510120  -0.574  11.911   3.306
   14PA    H17610121  -0.541  11.860   3.215
   14PA    H17710122  -0.478  11.889   3.352
   14PA   Ch17810123  -0.704  11.855   3.361
   14PA    H17910124  -0.785  11.869   3.289
   14PA    H18010125  -0.727  11.911   3.452
   14PA   Ch18110126  -0.682  11.714   3.416
   14PA    H18210127  -0.698  11.664   3.321
   14PA    H18310128  -0.585  11.697   3.463
   14PA   Ch18410129  -0.801  11.672   3.501
   14PA    H18510130  -0.824  11.576   3.455
   14PA    H18610131  -0.887  11.739   3.500
   14PA    N18710132  -0.754  11.657   3.638
   14PA   Hn18810133  -0.719  11.727   3.702
   14PA   Ca18910134  -0.713  11.540   3.689
   14PA    O19010135  -0.798  11.459   3.726
   14PA   Ch19110136  -0.564  11.514   3.680
   14PA    H19210137  -0.516  11.577   3.606
   14PA    H19310138  -0.527  11.544   3.778
   14PA   Ch19410139  -0.532  11.365   3.670
   14PA    H19510140  -0.584  11.328   3.582
   14PA    H19610141  -0.555  11.306   3.759
   14PA   Ch19710142  -0.382  11.340   3.659
   14PA    H19810143  -0.329  11.431   3.631
   14PA    H19910144  -0.362  11.295   3.756
   14PA   Ch20010145  -0.356  11.247   3.541
   14PA    H20110146  -0.362  11.311   3.453
   14PA    H20210147  -0.424  11.161   3.542
   14PA   Ca20310148  -0.225  11.171   3.524
   14PA    O20410149  -0.223  11.073   3.598
   14PA    N20510150  -0.125  11.212   3.446
   14PA   Hn20610151  -0.053  11.250   3.506
   14PA   Ch20710152  -0.098  11.173   3.309
   14PA    H20810153  -0.089  11.064   3.312
   14PA    H20910154  -0.179  11.218   3.252
   14PA   Ch21010155   0.029  11.245   3.265
   14PA    H21110156   0.114  11.215   3.326
   14PA    H21210157   0.022  11.349   3.299
   14PA   Ch21310158   0.051  11.244   3.114
   14PA    H21410159  -0.003  11.160   3.070
   14PA    H21510160   0.004  11.329   3.065
   14PA   Ch21610161   0.200  11.249   3.085
   14PA    H21710162   0.244  11.151   3.106
   14PA    H21810163   0.240  11.339   3.131
   14PA   Ch21910164   0.217  11.273   2.936
   14PA    H22010165   0.221  11.180   2.881
   14PA    H22110166   0.127  11.319   2.894
   14PA   Ch22210167   0.348  11.335   2.886
   14PA    H22310168   0.431  11.271   2.916
   14PA    H22410169   0.366  11.427   2.941
   14PA    N22510170   0.321  11.358   2.746
   14PA   Hn22610171   0.328  11.451   2.707
   14PA   Ca22710172   0.364  11.281   2.645
   14PA    O22810173   0.350  11.161   2.627
   14PA   Ch22910174   0.491  11.331   2.577
   14PA    H23010175   0.494  11.433   2.615
   14PA    H23110176   0.571  11.267   2.615
   14PA   Ch23210177   0.495  11.339   2.425
   14PA    H23310178   0.536  11.437   2.401
   14PA    H23410179   0.393  11.325   2.387
   14PA   Ch23510180   0.605  11.256   2.361
   14PA    H23610181   0.695  11.233   2.419
   14PA    H23710182   0.553  11.161   2.355
   14PA   Ch23810183   0.636  11.284   2.215
   14PA    H23910184   0.685  11.380   2.229
   14PA    H24010185   0.559  11.292   2.139
   14PA   Ca24110186   0.739  11.195   2.147
   14PA    O24210187   0.761  11.077   2.173
   14PA    N24310188   0.808  11.248   2.045
   14PA   Hn24410189   0.862  11.333   2.047
   14PA   Ch24510190   0.793  11.235   1.902
   14PA    H24610191   0.823  11.133   1.873
   14PA    H24710192   0.686  11.227   1.883
   14PA   Ch24810193   0.852  11.339   1.808
   14PA    H24910194   0.950  11.336   1.857
   14PA    H25010195   0.832  11.442   1.840
   14PA   Ch25110196   0.854  11.314   1.658
   14PA    H25210197   0.911  11.387   1.600
   14PA    H25310198   0.912  11.222   1.663
   14PA   Ch25410199   0.716  11.311   1.593
   14PA    H25510200   0.689  11.415   1.578
   14PA    H25610201   0.628  11.287   1.652
   14PA   Ch25710202   0.710  11.218   1.473
   14PA    H25810203   0.782  11.136   1.481
   14PA    H25910204   0.603  11.195   1.467
   14PA   Ch26010205   0.730  11.289   1.340
   14PA    H26110206   0.831  11.327   1.325
   14PA    H26210207   0.643  11.351   1.319
   14PA    N26310208   0.751  11.205   1.223
   14PA   Hn26410209   0.746  11.110   1.257
   14PA   Ca26510210   0.711  11.227   1.097
   14PA    O26610211   0.773  11.298   1.018
   14PA   Ch26710212   0.573  11.180   1.054
   14PA    H26810213   0.611  11.099   0.992
   14PA    H26910214   0.523  11.152   1.147
   14PA   Ch27010215   0.475  11.278   0.991
   14PA    H27110216   0.506  11.304   0.890
   14PA    H27210217   0.473  11.358   1.066
   14PA   Ch27310218   0.338  11.216   0.967
   14PA    H27410219   0.326  11.112   0.939
   14PA    H27510220   0.285  11.213   1.062
   14PA   Ch27610221   0.274  11.323   0.879
   14PA    H27710222   0.323  11.319   0.782
   14PA    H27810223   0.289  11.428   0.906
   14PA   Ca27910224   0.123  11.325   0.865
   14PA    O28010225   0.055  11.341   0.967
   14PA    N28110226   0.063  11.340   0.747
   14PA   Hn28210227   0.137  11.383   0.693
   14PA   Ch28310228  -0.006  11.228   0.685
   14PA    H28410229   0.068  11.162   0.639
   14PA    H28510230  -0.066  11.179   0.761
   14PA   Ch28610231  -0.069  11.288   0.560
   14PA    H28710232   0.016  11.326   0.502
   14PA    H28810233  -0.131  11.374   0.584
   14PA   Ch28910234  -0.144  11.177   0.488
   14PA    H29010235  -0.062  11.106   0.486
   14PA    H29110236  -0.225  11.135   0.549
   14PA   Ch29210237  -0.180  11.190   0.341
   14PA    H29310238  -0.091  11.190   0.278
   14PA    H29410239  -0.220  11.288   0.314
   14PA   Ch29510240  -0.293  11.096   0.301
   14PA    H29610241  -0.279  10.988   0.315
   14PA    H29710242  -0.369  11.135   0.369
   14PA   Ch29810243  -0.334  11.125   0.158
   14PA    H29910244  -0.237  11.146   0.112
   14PA    H30010245  -0.394  11.215   0.142
   14PA    N30110246  -0.400  11.008   0.103
   14PA   Hn30210247  -0.431  10.939   0.169
   14PA   Ca30310248  -0.466  11.007  -0.013
   14PA    O30410249  -0.401  11.034  -0.114
   14PA   Ch30510250  -0.614  10.972  -0.021
   14PA    H30610251  -0.664  11.029   0.057
   14PA    H30710252  -0.660  10.999  -0.116
   14PA   Ch30810253  -0.648  10.830   0.022
   14PA    H30910254  -0.609  10.747  -0.037
   14PA    H31010255  -0.752  10.815  -0.009
   14PA   Ch31110256  -0.659  10.806   0.172
   14PA    H31210257  -0.570  10.851   0.216
   14PA    H31310258  -0.724  10.879   0.220
   14PA   Ch31410259  -0.696  10.665   0.217
   14PA    H31510260  -0.678  10.584   0.146
   14PA    H31610261  -0.805  10.666   0.222
   14PA   Ca31710262  -0.637  10.611   0.346
   14PA    O31810263  -0.691  10.633   0.454
   14PA    N31910264  -0.539  10.521   0.346
   14PA   Hn32010265  -0.499  10.546   0.257
   14PA   Ch32110266  -0.544  10.381   0.385
   14PA    H32210267  -0.647  10.348   0.403
   14PA    H32310268  -0.508  10.335   0.293
   14PA   Ch32410269  -0.442  10.356   0.494
   14PA    H32510270  -0.474  10.418   0.578
   14PA    H32610271  -0.340  10.378   0.462
   14PA   Ch32710272  -0.447  10.208   0.530
   14PA    H32810273  -0.541  10.158   0.555
   14PA    H32910274  -0.439  10.151   0.437
   14PA   Ch33010275  -0.362  10.162   0.648
   14PA    H33110276  -0.425  10.200   0.729
   14PA    H33210277  -0.264  10.205   0.670
   14PA   Ch33310278  -0.351  10.011   0.667
   14PA    H33410279  -0.364   9.940   0.585
   14PA    H33510280  -0.257  10.000   0.721
   14PA   Ch33610281  -0.454   9.966   0.769
   14PA    H33710282  -0.560   9.991   0.760
   14PA    H33810283  -0.417   9.995   0.868
   14PA    N33910284  -0.450   9.822   0.772
   14PA   Hn34010285  -0.389   9.763   0.716
   14PA   Ca34110286  -0.484   9.737   0.869
   14PA    O34210287  -0.601   9.709   0.894
   14PA   Ch34310288  -0.390   9.655   0.957
   14PA    H34410289  -0.306   9.725   0.958
   14PA    H34510290  -0.432   9.659   1.057
   14PA   Ch34610291  -0.346   9.519   0.906
   14PA    H34710292  -0.248   9.484   0.940
   14PA    H34810293  -0.330   9.526   0.798
   14PA   Ch34910294  -0.445   9.407   0.934
   14PA    H35010295  -0.541   9.424   0.886
   14PA    H35110296  -0.413   9.320   0.877
   14PA   Ch35210297  -0.480   9.370   1.078
   14PA    H35310298  -0.536   9.449   1.129
   14PA    H35410299  -0.381   9.352   1.119
   14PA   Ca35510300  -0.557   9.240   1.095
   14PA    O35610301  -0.496   9.140   1.131
   14PA    N35710302  -0.690   9.251   1.095
   14PA   Hn35810303  -0.735   9.284   1.011
   14PA   Ch35910304  -0.780   9.260   1.208
   14PA    H36010305  -0.728   9.264   1.304
   14PA    H36110306  -0.847   9.345   1.191
   14PA   Ch36210307  -0.886   9.151   1.209
   14PA    H36310308  -0.831   9.060   1.235
   14PA    H36410309  -0.921   9.123   1.109
   14PA   Ch36510310  -1.005   9.183   1.298
   14PA    H36610311  -1.054   9.087   1.316
   14PA    H36710312  -0.978   9.220   1.397
   14PA   Ch36810313  -1.100   9.289   1.245
   14PA    H36910314  -1.051   9.376   1.200
   14PA    H37010315  -1.143   9.324   1.339
   14PA   Ch37110316  -1.197   9.244   1.136
   14PA    H37210317  -1.153   9.199   1.046
   14PA    H37310318  -1.263   9.165   1.172
   14PA   Ch37410319  -1.272   9.366   1.084
   14PA    H37510320  -1.255   9.387   0.978
   14PA    H37610321  -1.231   9.462   1.113
   14PA    N37710322  -1.410   9.353   1.126
   14PA   Hn37810323  -1.454   9.420   1.188
   14PA   Ca37910324  -1.518   9.337   1.048
   14PA    O38010325  -1.535   9.220   1.013
   14PA   Ch38110326  -1.597   9.452   0.988
   14PA    H38210327  -1.705   9.436   0.985
   14PA    H38310328  -1.578   9.534   1.057
   14PA   Ch38410329  -1.550   9.495   0.850
   14PA    H38510330  -1.443   9.476   0.846
   14PA    H38610331  -1.559   9.604   0.844
   14PA   Ch38710332  -1.647   9.453   0.740
   14PA    H38810333  -1.694   9.361   0.774
   14PA    H38910334  -1.576   9.426   0.661
   14PA   Ch39010335  -1.757   9.544   0.687
   14PA    H39110336  -1.757   9.630   0.755
   14PA    H39210337  -1.849   9.488   0.704
   14PA   Ca39310338  -1.756   9.573   0.538
   14PA    O39410339  -1.706   9.674   0.490
   14PA    N39510340  -1.801   9.470   0.466
   14PA   Hn39610341  -1.881   9.413   0.493
   14PA   Ch39710342  -1.718   9.388   0.380
   14PA    H39810343  -1.652   9.464   0.340
   14PA    H39910344  -1.648   9.324   0.434
   14PA   Ch40010345  -1.806   9.338   0.266
   14PA    H40110346  -1.771   9.389   0.176
   14PA    H40210347  -1.914   9.336   0.278
   14PA   Ch40310348  -1.774   9.192   0.234
   14PA    H40410349  -1.670   9.169   0.214
   14PA    H40510350  -1.781   9.131   0.324
   14PA   Ch40610351  -1.868   9.140   0.126
   14PA    H40710352  -1.830   9.189   0.036
   14PA    H40810353  -1.970   9.177   0.139
   14PA   Ch40910354  -1.859   8.990   0.102
   14PA    H41010355  -1.814   8.935   0.185
   14PA    H41110356  -1.959   8.955   0.075
   14PA   Ch41210357  -1.769   8.949  -0.014
   14PA    H41310358  -1.663   8.945   0.007
   14PA    H41410359  -1.776   9.018  -0.098
   14PA    N41510360  -1.798   8.821  -0.077
   14PA   Hn41610361  -1.880   8.765  -0.058
   14PA   Ca41710362  -1.768   8.788  -0.203
   14PA    O41810363  -1.667   8.719  -0.216
   14PA   Ch41910364  -1.859   8.832  -0.317
   14PA    H42010365  -1.949   8.871  -0.269
   14PA    H42110366  -1.820   8.929  -0.347
   14PA   Ch42210367  -1.890   8.758  -0.447
   14PA    H42310368  -1.806   8.699  -0.485
   14PA    H42410369  -1.944   8.819  -0.520
   14PA   Ch42510370  -2.001   8.655  -0.433
   14PA    H42610371  -1.983   8.579  -0.357
   14PA    H42710372  -2.100   8.695  -0.409
   14PA   Ch42810373  -2.013   8.576  -0.562
   14PA    H42910374  -1.931   8.506  -0.578
   14PA    H43010375  -2.000   8.644  -0.647
   14PA   Ca43110376  -2.146   8.506  -0.586
   14PA    O43210377  -2.258   8.556  -0.585
   14PA    N43310378  -2.140   8.386  -0.643
   14PA   Hn43410379  -2.191   8.406  -0.729
   14PA   Ch43510380  -2.133   8.266  -0.562
   14PA    H43610381  -2.037   8.247  -0.515
   14PA    H43710382  -2.205   8.275  -0.480
   14PA   Ch43810383  -2.180   8.156  -0.656
   14PA    H43910384  -2.106   8.158  -0.736
   14PA    H44010385  -2.279   8.172  -0.700
   14PA   Ch44110386  -2.180   8.024  -0.580
   14PA    H44210387  -2.081   8.004  -0.540
   14PA    H44310388  -2.253   8.016  -0.499
   14PA   Ch44410389  -2.184   7.903  -0.672
   14PA    H44510390  -2.126   7.923  -0.763
   14PA    H44610391  -2.288   7.897  -0.704
   14PA   Ch44710392  -2.140   7.770  -0.611
   14PA    H44810393  -2.159   7.693  -0.685
   14PA    H44910394  -2.032   7.761  -0.601
   14PA   Ch45010395  -2.212   7.722  -0.485
   14PA    H45110396  -2.300   7.676  -0.530
   14PA    H45210397  -2.221   7.805  -0.415
   14PA    N45310398  -2.121   7.631  -0.419
   14PA   Hn45410399  -2.042   7.600  -0.475
   14PA   Ca45510400  -2.164   7.510  -0.381
   14PA    O45610401  -2.240   7.500  -0.284
   14PA   Ch45710402  -2.111   7.387  -0.453
   14PA    H45810403  -2.005   7.388  -0.479
   14PA    H45910404  -2.125   7.313  -0.374
   14PA   Ch46010405  -2.200   7.333  -0.564
   14PA    H46110406  -2.147   7.384  -0.645
   14PA    H46210407  -2.288   7.395  -0.577
   14PA   Ch46310408  -2.218   7.186  -0.601
   14PA    H46410409  -2.310   7.164  -0.656
   14PA    H46510410  -2.136   7.159  -0.667
   14PA   Ch46610411  -2.215   7.086  -0.486
   14PA    H46710412  -2.262   7.131  -0.399
   14PA    H46810413  -2.117   7.079  -0.439
   14PA   Ca46910414  -2.268   6.947  -0.516
   14PA    O47010415  -2.375   6.914  -0.464
   14PA    N47110416  -2.234   6.889  -0.631
   14PA   Hn47210417  -2.136   6.916  -0.640
   14PA   Ch47310418  -2.312   6.884  -0.753
   14PA    H47410419  -2.390   6.808  -0.752
   14PA    H47510420  -2.384   6.963  -0.775
   14PA   Ch47610421  -2.220   6.853  -0.871
   14PA    H47710422  -2.155   6.768  -0.851
   14PA    H47810423  -2.144   6.931  -0.878
   14PA   Ch47910424  -2.292   6.805  -0.996
   14PA    H48010425  -2.212   6.776  -1.064
   14PA    H48110426  -2.333   6.703  -0.990
   14PA   Ch48210427  -2.403   6.888  -1.060
   14PA    H48310428  -2.387   6.983  -1.009
   14PA    H48410429  -2.498   6.843  -1.030
   14PA   Ch48510430  -2.392   6.903  -1.211
   14PA    H48610431  -2.342   7.000  -1.211
   14PA    H48710432  -2.332   6.829  -1.264
   14PA   Ch48810433  -2.527   6.906  -1.281
   14PA    H48910434  -2.602   6.866  -1.214
   14PA    H49010435  -2.501   6.857  -1.375
   14PA    N49110436  -2.558   7.036  -1.339
   14PA   Hn49210437  -2.501   7.083  -1.408
   14PA   Ca49310438  -2.584   7.160  -1.298
   14PA    O49410439  -2.703   7.183  -1.283
   14PA   Ch49510440  -2.478   7.270  -1.307
   14PA    H49610441  -2.437   7.293  -1.209
   14PA    H49710442  -2.395   7.238  -1.370
   14PA   Ch49810443  -2.500   7.401  -1.381
   14PA    H49910444  -2.566   7.400  -1.469
   14PA    H50010445  -2.408   7.438  -1.426
   14PA   Ch50110446  -2.566   7.509  -1.297
   14PA    H50210447  -2.506   7.543  -1.212
   14PA    H50310448  -2.573   7.600  -1.357
   14PA   Ch50410449  -2.704   7.492  -1.235
   14PA    H50510450  -2.713   7.410  -1.164
   14PA    H50610451  -2.770   7.472  -1.319
   14PA   Ca50710452  -2.755   7.627  -1.186
   14PA    O50810453  -2.775   7.726  -1.256
   14PA    N50910454  -2.747   7.641  -1.054
   14PA   Hn51010455  -2.774   7.550  -1.018
   14PA   Ch51110456  -2.658   7.728  -0.980
   14PA    H51210457  -2.563   7.683  -0.952
   14PA    H51310458  -2.625   7.823  -1.021
   14PA   Ch51410459  -2.729   7.750  -0.847
   14PA    H51510460  -2.746   7.666  -0.779
   14PA    H51610461  -2.820   7.809  -0.843
   14PA   Ch51710462  -2.646   7.851  -0.770
   14PA    H51810463  -2.538   7.855  -0.786
   14PA    H51910464  -2.670   7.950  -0.809
   14PA   Ch52010465  -2.686   7.886  -0.627
   14PA    H52110466  -2.717   7.788  -0.590
   14PA    H52210467  -2.777   7.946  -0.630
   14PA   Ch52310468  -2.569   7.927  -0.539
   14PA    H52410469  -2.509   7.840  -0.568
   14PA    H52510470  -2.527   8.021  -0.574
   14PA   Ch52610471  -2.591   7.950  -0.390
   14PA    H52710472  -2.689   7.996  -0.405
   14PA    H52810473  -2.522   8.018  -0.339
   14PA    N52910474  -2.576   7.821  -0.327
   14PA   Hn53010475  -2.544   7.748  -0.389
   14PA   Ca53110476  -2.566   7.806  -0.195
   14PA    O53210477  -2.649   7.851  -0.116
   14PA   Ch53310478  -2.423   7.781  -0.150
   14PA    H53410479  -2.433   7.692  -0.088
   14PA    H53510480  -2.378   7.722  -0.230
   14PA   Ch53610481  -2.326   7.895  -0.121
   14PA    H53710482  -2.370   7.948  -0.036
   14PA    H53810483  -2.299   7.969  -0.197
   14PA   Ch53910484  -2.186   7.850  -0.080
   14PA    H54010485  -2.162   7.761  -0.139
   14PA    H54110486  -2.113   7.919  -0.124
   14PA   Ch54210487  -2.172   7.802   0.064
   14PA    H54310488  -2.264   7.836   0.113
   14PA    H54410489  -2.091   7.849   0.120
   14PA   Ca54510490  -2.149   7.654   0.089
   14PA    O54610491  -2.244   7.577   0.099
   14PA    N54710492  -2.023   7.611   0.090
   14PA   Hn54810493  -1.966   7.694   0.084
   14PA   Ch54910494  -1.976   7.526  -0.017
   14PA    H55010495  -1.930   7.435   0.021
   14PA    H55110496  -2.048   7.489  -0.090
   14PA   Ch55210497  -1.848   7.588  -0.072
   14PA    H55310498  -1.817   7.509  -0.142
   14PA    H55410499  -1.777   7.585   0.011
   14PA   Ch55510500  -1.854   7.720  -0.147
   14PA    H55610501  -1.941   7.723  -0.212
   14PA    H55710502  -1.895   7.791  -0.075
   14PA   Ch55810503  -1.735   7.789  -0.214
   14PA    H55910504  -1.722   7.717  -0.295
   14PA    H56010505  -1.643   7.794  -0.156
   14PA   Ch56110506  -1.753   7.919  -0.292
   14PA    H56210507  -1.815   7.984  -0.231
   14PA    H56310508  -1.672   7.991  -0.280
   14PA   Ch56410509  -1.830   7.923  -0.423
   14PA    H56510510  -1.935   7.937  -0.398
   14PA    H56610511  -1.834   7.831  -0.483
   14PA    N56710512  -1.772   8.031  -0.500
   14PA   Hn56810513  -1.704   8.093  -0.458
   14PA   Ca56910514  -1.735   8.027  -0.629
   14PA    O57010515  -1.815   8.044  -0.720
   14PA   Ch57110516  -1.585   8.009  -0.651
   14PA    H57210517  -1.584   8.087  -0.727
   14PA    H57310518  -1.543   8.059  -0.564
   14PA   Ch57410519  -1.527   7.877  -0.698
   14PA    H57510520  -1.439   7.920  -0.746
   14PA    H57610521  -1.598   7.867  -0.781
   14PA   Ch57710522  -1.501   7.777  -0.586
   14PA    H57810523  -1.587   7.805  -0.525
   14PA    H57910524  -1.512   7.671  -0.607
   14PA   Ch58010525  -1.377   7.814  -0.506
   14PA    H58110526  -1.375   7.910  -0.453
   14PA    H58210527  -1.284   7.812  -0.562
   14PA   Ca58310528  -1.362   7.703  -0.403
   14PA    O58410529  -1.397   7.736  -0.290
   14PA    N58510530  -1.301   7.588  -0.435
   14PA   Hn58610531  -1.299   7.570  -0.534
   14PA   Ch58710532  -1.203   7.514  -0.359
   14PA    H58810533  -1.179   7.545  -0.258
   14PA    H58910534  -1.229   7.408  -0.361
   14PA   Ch59010535  -1.073   7.530  -0.437
   14PA    H59110536  -1.075   7.622  -0.496
   14PA    H59210537  -1.065   7.439  -0.497
   14PA   Ch59310538  -0.947   7.531  -0.352
   14PA    H59410539  -0.973   7.602  -0.274
   14PA    H59510540  -0.958   7.448  -0.283
   14PA   Ch59610541  -0.802   7.537  -0.399
   14PA    H59710542  -0.803   7.456  -0.472
   14PA    H59810543  -0.731   7.508  -0.322
   14PA   Ch59910544  -0.749   7.663  -0.466
   14PA    H60010545  -0.821   7.681  -0.546
   14PA    H60110546  -0.758   7.750  -0.401
   14PA   Ch60210547  -0.612   7.645  -0.530
   14PA    H60310548  -0.640   7.668  -0.633
   14PA    H60410549  -0.592   7.539  -0.544
   14PA    N60510550  -0.508   7.722  -0.464
   14PA   Hn60610551  -0.492   7.686  -0.371
   14PA   Ca60710552  -0.417   7.788  -0.536
   14PA    O60810553  -0.457   7.885  -0.601
   14PA   Ch60910554  -0.286   7.716  -0.564
   14PA    H61010555  -0.295   7.609  -0.548
   14PA    H61110556  -0.245   7.717  -0.665
   14PA   Ch61210557  -0.175   7.744  -0.464
   14PA    H61310558  -0.201   7.715  -0.362
   14PA    H61410559  -0.148   7.850  -0.454
   14PA   Ch61510560  -0.049   7.667  -0.504
   14PA    H61610561  -0.062   7.561  -0.525
   14PA    H61710562  -0.011   7.696  -0.602
   14PA   Ch61810563   0.045   7.647  -0.387
   14PA    H61910564   0.025   7.557  -0.329
   14PA    H62010565   0.036   7.733  -0.320
   14PA   Ca62110566   0.190   7.640  -0.433
   14PA    O62210567   0.241   7.532  -0.460
   14PA    N62310568   0.275   7.712  -0.359
   14PA   Hn62410569   0.274   7.684  -0.262
   14PA   Ch62510570   0.339   7.833  -0.404
   14PA    H62610571   0.433   7.822  -0.457
   14PA    H62710572   0.255   7.885  -0.451
   14PA   Ch62810573   0.367   7.917  -0.279
   14PA    H62910574   0.435   7.990  -0.323
   14PA    H63010575   0.426   7.870  -0.202
   14PA   Ch63110576   0.247   7.972  -0.203
   14PA    H63210577   0.169   7.902  -0.232
   14PA    H63310578   0.283   7.980  -0.101
   14PA   Ch63410579   0.202   8.116  -0.225
   14PA    H63510580   0.262   8.197  -0.183
   14PA    H63610581   0.107   8.112  -0.171
   14PA   Ch63710582   0.187   8.162  -0.369
   14PA    H63810583   0.281   8.169  -0.425
   14PA    H63910584   0.143   8.081  -0.427
   14PA   Ch64010585   0.097   8.285  -0.378
   14PA    H64110586   0.051   8.298  -0.280
   14PA    H64210587   0.011   8.272  -0.444
   14PA    N64310588   0.183   8.401  -0.381
   14PA   Hn64410589   0.281   8.381  -0.367
   14PA   Ca64510590   0.175   8.524  -0.432
   14PA    O64610591   0.089   8.592  -0.376
   14PA   Ch64710592   0.190   8.526  -0.583
   14PA    H64810593   0.195   8.424  -0.623
   14PA    H64910594   0.101   8.576  -0.623
   14PA   Ch65010595   0.311   8.613  -0.615
   14PA    H65110596   0.409   8.571  -0.592
   14PA    H65210597   0.292   8.717  -0.588
   14PA   Ch65310598   0.313   8.647  -0.764
   14PA    H65410599   0.321   8.560  -0.830
   14PA    H65510600   0.215   8.692  -0.783
   14PA   Ch65610601   0.428   8.726  -0.823
   14PA    H65710602   0.510   8.655  -0.832
   14PA    H65810603   0.452   8.798  -0.745
   14PA   Ca65910604   0.390   8.817  -0.939
   14PA    O66010605   0.404   8.781  -1.056
   14PA    N66110606   0.312   8.924  -0.919
   14PA   Hn66210607   0.349   8.991  -0.854
   14PA   Ch66310608   0.177   8.951  -0.962
   14PA    H66410609   0.110   8.871  -0.994
   14PA    H66510610   0.121   8.998  -0.882
   14PA   Ch66610611   0.181   9.060  -1.069
   14PA    H66710612   0.207   9.013  -1.164
   14PA    H66810613   0.244   9.145  -1.046
   14PA   Ch66910614   0.052   9.139  -1.085
   14PA    H67010615  -0.019   9.061  -1.113
   14PA    H67110616   0.021   9.190  -0.994
   14PA   Ch67210617   0.013   9.238  -1.194
   14PA    H67310618  -0.077   9.298  -1.184
   14PA    H67410619  -0.016   9.190  -1.288
   14PA   Ch67510620   0.128   9.336  -1.211
   14PA    H67610621   0.203   9.321  -1.133
   14PA    H67710622   0.164   9.278  -1.296
   14PA   Ch67810623   0.082   9.471  -1.263
   14PA    H67910624   0.017   9.519  -1.190
   14PA    H68010625   0.017   9.469  -1.350
   14PA    N68110626   0.204   9.550  -1.276
   14PA   Hn68210627   0.276   9.519  -1.340
   14PA   Ca68310628   0.203   9.683  -1.283
   14PA    O68410629   0.161   9.755  -1.193
   14PA   Ch68510630   0.216   9.742  -1.422
   14PA    H68610631   0.249   9.846  -1.414
   14PA    H68710632   0.293   9.676  -1.463
   14PA   Ch68810633   0.085   9.750  -1.499
   14PA    H68910634   0.011   9.770  -1.421
   14PA    H69010635   0.050   9.653  -1.537
   14PA   Ch69110636   0.106   9.843  -1.617
   14PA    H69210637   0.137   9.941  -1.578
   14PA    H69310638   0.187   9.792  -1.670
   14PA   Ch69410639  -0.027   9.846  -1.690
   14PA    H69510640  -0.018   9.943  -1.738
   14PA    H69610641  -0.120   9.845  -1.632
   14PA   Ca69710642  -0.059   9.751  -1.804
   14PA    O69810643   0.030   9.700  -1.872
   14PA    N69910644  -0.183   9.701  -1.799
   14PA   Hn70010645  -0.228   9.776  -1.747
   14PA   Ch70110646  -0.239   9.569  -1.778
   14PA    H70210647  -0.214   9.509  -1.866
   14PA    H70310648  -0.177   9.517  -1.705
   14PA   Ch70410649  -0.388   9.546  -1.758
   14PA    H70510650  -0.440   9.604  -1.834
   14PA    H70610651  -0.415   9.573  -1.656
   14PA   Ch70710652  -0.431   9.403  -1.788
   14PA    H70810653  -0.345   9.342  -1.815
   14PA    H70910654  -0.463   9.361  -1.692
   14PA   Ch71010655  -0.512   9.368  -1.913
   14PA    H71110656  -0.615   9.402  -1.904
   14PA    H71210657  -0.516   9.260  -1.919
   14PA   Ch71310658  -0.447   9.404  -2.046
   14PA    H71410659  -0.452   9.513  -2.040
   14PA    H71510660  -0.344   9.375  -2.068
   14PA   Ch71610661  -0.514   9.338  -2.166
   14PA    H71710662  -0.623   9.350  -2.158
   14PA    H71810663  -0.475   9.236  -2.164
   14PA    N71910664  -0.493   9.390  -2.299
   14PA   Hn72010665  -0.557   9.371  -2.375
   14PA   Ca72110666  -0.396   9.472  -2.342
   14PA    O72210667  -0.281   9.444  -2.310
   14PA   Ch72310668  -0.442   9.612  -2.380
   14PA    H72410669  -0.357   9.651  -2.437
   14PA    H72510670  -0.521   9.612  -2.455
   14PA   Ch72610671  -0.481   9.720  -2.280
   14PA    H72710672  -0.580   9.696  -2.241
   14PA    H72810673  -0.483   9.802  -2.352
   14PA   Ch72910674  -0.388   9.758  -2.166
   14PA    H73010675  -0.345   9.679  -2.104
   14PA    H73110676  -0.313   9.832  -2.195
   14PA   Ch73210677  -0.453   9.841  -2.056
   14PA    H73310678  -0.520   9.773  -2.001
   14PA    H73410679  -0.521   9.910  -2.106
   14PA   Ca73510680  -0.363   9.922  -1.964
   14PA    O73610681  -0.392   9.934  -1.845
   14PA    N73710682  -0.329  10.041  -2.013
   14PA   Hn73810683  -0.384  10.045  -2.098
   14PA   Ch73910684  -0.196  10.078  -2.057
   14PA    H74010685  -0.117  10.066  -1.982
   14PA    H74110686  -0.170  10.048  -2.158
   14PA   Ch74210687  -0.175  10.224  -2.096
   14PA    H74310688  -0.203  10.292  -2.016
   14PA    H74410689  -0.254  10.239  -2.170
   14PA   Ch74510690  -0.036  10.271  -2.137
   14PA    H74610691   0.056  10.246  -2.084
   14PA    H74710692  -0.029  10.214  -2.230
   14PA   Ch74810693  -0.036  10.421  -2.163
   14PA    H74910694  -0.069  10.458  -2.066
   14PA    H75010695  -0.116  10.445  -2.234
   14PA   Ch75110696   0.098  10.475  -2.211
   14PA    H75210697   0.163  10.467  -2.124
   14PA    H75310698   0.145  10.430  -2.299
   14PA   Ch75410699   0.088  10.627  -2.220
   14PA    H75510700   0.071  10.668  -2.120
   14PA    H75610701  -0.004  10.663  -2.267
   14PA    N75710702   0.185  10.690  -2.307
   14PA   Hn75810703   0.223  10.632  -2.379
   14PA   Ca75910704   0.216  10.820  -2.310
   14PA    O76010705   0.134  10.911  -2.311
   14PA   Ch76110706   0.356  10.850  -2.256
   14PA    H76210707   0.371  10.926  -2.179
   14PA    H76310708   0.396  10.764  -2.204
   14PA    H76410709  -2.713  11.854   4.220
   14PA    H76510710   0.432  10.879  -2.328
   15PA     Ch110711  -9.382   5.461  -2.383
   15PA      H210712  -9.485   5.457  -2.350
   15PA      H310713  -9.389   5.464  -2.492
   15PA     Ch410714  -9.312   5.343  -2.316
   15PA      H510715  -9.210   5.329  -2.353
   15PA      H610716  -9.393   5.271  -2.330
   15PA     Ch710717  -9.288   5.366  -2.167
   15PA      H810718  -9.212   5.437  -2.134
   15PA      H910719  -9.391   5.387  -2.138
   15PA    Ch1010720  -9.246   5.233  -2.106
   15PA     H1110721  -9.169   5.184  -2.165
   15PA     H1210722  -9.337   5.174  -2.099
   15PA    Ca1310723  -9.203   5.232  -1.960
   15PA     O1410724  -9.149   5.130  -1.916
   15PA     N1510725  -9.226   5.339  -1.884
   15PA    Hn1610726  -9.301   5.388  -1.932
   15PA    Ch1710727  -9.120   5.431  -1.849
   15PA     H1810728  -9.027   5.378  -1.826
   15PA     H1910729  -9.118   5.482  -1.945
   15PA    Ch2010730  -9.146   5.534  -1.739
   15PA     H2110731  -9.224   5.496  -1.673
   15PA     H2210732  -9.192   5.628  -1.770
   15PA    Ch2310733  -9.025   5.568  -1.654
   15PA     H2410734  -8.935   5.596  -1.709
   15PA     H2510735  -9.071   5.658  -1.614
   15PA    Ch2610736  -8.975   5.463  -1.554
   15PA     H2710737  -8.964   5.365  -1.601
   15PA     H2810738  -9.059   5.461  -1.484
   15PA    Ch2910739  -8.859   5.510  -1.468
   15PA     H3010740  -8.784   5.556  -1.533
   15PA     H3110741  -8.894   5.590  -1.403
   15PA    Ch3210742  -8.792   5.415  -1.370
   15PA     H3310743  -8.752   5.324  -1.414
   15PA     H3410744  -8.852   5.373  -1.289
   15PA     N3510745  -8.684   5.482  -1.301
   15PA    Hn3610746  -8.705   5.553  -1.232
   15PA    Ca3710747  -8.559   5.511  -1.339
   15PA     O3810748  -8.496   5.421  -1.394
   15PA    Ch3910749  -8.532   5.660  -1.348
   15PA     H4010750  -8.427   5.660  -1.377
   15PA     H4110751  -8.557   5.713  -1.440
   15PA    Ch4210752  -8.523   5.746  -1.222
   15PA     H4310753  -8.439   5.702  -1.168
   15PA     H4410754  -8.606   5.739  -1.152
   15PA    Ch4510755  -8.523   5.894  -1.256
   15PA     H4610756  -8.470   5.889  -1.351
   15PA     H4710757  -8.620   5.920  -1.298
   15PA    Ch4810758  -8.494   6.007  -1.157
   15PA     H4910759  -8.464   6.097  -1.210
   15PA     H5010760  -8.413   5.961  -1.100
   15PA    Ca5110761  -8.603   6.048  -1.059
   15PA     O5210762  -8.675   6.144  -1.087
   15PA     N5310763  -8.621   5.969  -0.953
   15PA    Hn5410764  -8.639   5.876  -0.987
   15PA    Ch5510765  -8.607   5.988  -0.810
   15PA     H5610766  -8.504   6.022  -0.801
   15PA     H5710767  -8.668   6.072  -0.777
   15PA    Ch5810768  -8.623   5.858  -0.731
   15PA     H5910769  -8.539   5.789  -0.736
   15PA     H6010770  -8.713   5.807  -0.766
   15PA    Ch6110771  -8.615   5.890  -0.583
   15PA     H6210772  -8.513   5.919  -0.558
   15PA     H6310773  -8.694   5.966  -0.582
   15PA    Ch6410774  -8.650   5.776  -0.487
   15PA     H6510775  -8.619   5.812  -0.389
   15PA     H6610776  -8.585   5.689  -0.491
   15PA    Ch6710777  -8.798   5.741  -0.497
   15PA     H6810778  -8.813   5.682  -0.406
   15PA     H6910779  -8.858   5.831  -0.504
   15PA    Ch7010780  -8.851   5.631  -0.588
   15PA     H7110781  -8.766   5.564  -0.592
   15PA     H7210782  -8.847   5.646  -0.696
   15PA     N7310783  -8.977   5.572  -0.546
   15PA    Hn7410784  -8.991   5.542  -0.451
   15PA    Ca7510785  -9.065   5.495  -0.610
   15PA     O7610786  -9.090   5.519  -0.728
   15PA    Ch7710787  -9.068   5.348  -0.570
   15PA     H7810788  -9.072   5.336  -0.462
   15PA     H7910789  -9.163   5.316  -0.613
   15PA    Ch8010790  -8.942   5.266  -0.593
   15PA     H8110791  -8.870   5.268  -0.511
   15PA     H8210792  -8.896   5.326  -0.672
   15PA    Ch8310793  -8.972   5.128  -0.648
   15PA     H8410794  -9.043   5.062  -0.596
   15PA     H8510795  -8.993   5.136  -0.754
   15PA    Ch8610796  -8.840   5.054  -0.631
   15PA     H8710797  -8.797   5.076  -0.534
   15PA     H8810798  -8.760   5.115  -0.672
   15PA    Ca8910799  -8.823   4.910  -0.678
   15PA     O9010800  -8.749   4.836  -0.613
   15PA     N9110801  -8.857   4.881  -0.804
   15PA    Hn9210802  -8.810   4.953  -0.857
   15PA    Ch9310803  -8.979   4.810  -0.834
   15PA     H9410804  -8.950   4.717  -0.883
   15PA     H9510805  -9.050   4.792  -0.753
   15PA    Ch9610806  -9.046   4.894  -0.942
   15PA     H9710807  -9.046   4.862  -1.047
   15PA     H9810808  -9.006   4.995  -0.948
   15PA    Ch9910809  -9.195   4.909  -0.912
   15PA    H10010810  -9.248   4.817  -0.938
   15PA    H10110811  -9.209   4.927  -0.805
   15PA   Ch10210812  -9.258   5.035  -0.969
   15PA    H10310813  -9.236   5.059  -1.073
   15PA    H10410814  -9.205   5.121  -0.928
   15PA   Ch10510815  -9.409   5.039  -0.950
   15PA    H10610816  -9.455   5.072  -1.043
   15PA    H10710817  -9.463   4.945  -0.958
   15PA   Ch10810818  -9.466   5.112  -0.829
   15PA    H10910819  -9.379   5.162  -0.786
   15PA    H11010820  -9.525   5.054  -0.758
   15PA    N11110821  -9.549   5.221  -0.875
   15PA   Hn11210822  -9.625   5.224  -0.942
   15PA   Ca11310823  -9.536   5.351  -0.851
   15PA    O11410824  -9.587   5.421  -0.763
   15PA   Ch11510825  -9.497   5.434  -0.972
   15PA    H11610826  -9.512   5.375  -1.062
   15PA    H11710827  -9.563   5.517  -0.996
   15PA   Ch11810828  -9.345   5.443  -0.972
   15PA    H11910829  -9.286   5.356  -0.942
   15PA    H12010830  -9.336   5.509  -0.886
   15PA   Ch12110831  -9.270   5.485  -1.098
   15PA    H12210832  -9.287   5.408  -1.173
   15PA    H12310833  -9.294   5.581  -1.141
   15PA   Ch12410834  -9.119   5.492  -1.075
   15PA    H12510835  -9.102   5.566  -0.997
   15PA    H12610836  -9.058   5.522  -1.161
   15PA   Ca12710837  -9.035   5.372  -1.033
   15PA    O12810838  -9.044   5.273  -1.104
   15PA    N12910839  -8.941   5.407  -0.945
   15PA   Hn13010840  -8.996   5.448  -0.870
   15PA   Ch13110841  -8.802   5.427  -0.980
   15PA    H13210842  -8.787   5.371  -1.073
   15PA    H13310843  -8.800   5.536  -0.992
   15PA   Ch13410844  -8.698   5.433  -0.869
   15PA    H13510845  -8.691   5.331  -0.832
   15PA    H13610846  -8.714   5.509  -0.792
   15PA   Ch13710847  -8.556   5.460  -0.916
   15PA    H13810848  -8.548   5.377  -0.986
   15PA    H13910849  -8.556   5.540  -0.990
   15PA   Ch14010850  -8.451   5.498  -0.812
   15PA    H14110851  -8.418   5.398  -0.783
   15PA    H14210852  -8.511   5.540  -0.730
   15PA   Ch14310853  -8.329   5.580  -0.852
   15PA    H14410854  -8.359   5.685  -0.851
   15PA    H14510855  -8.265   5.566  -0.765
   15PA   Ch14610856  -8.253   5.541  -0.978
   15PA    H14710857  -8.333   5.502  -1.041
   15PA    H14810858  -8.182   5.460  -0.960
   15PA    N14910859  -8.199   5.659  -1.042
   15PA   Hn15010860  -8.121   5.700  -0.992
   15PA   Ca15110861  -8.148   5.661  -1.166
   15PA    O15210862  -8.208   5.625  -1.266
   15PA   Ch15310863  -7.997   5.673  -1.182
   15PA    H15410864  -7.957   5.633  -1.088
   15PA    H15510865  -7.959   5.597  -1.251
   15PA   Ch15610866  -7.936   5.808  -1.219
   15PA    H15710867  -8.001   5.893  -1.197
   15PA    H15810868  -7.928   5.816  -1.327
   15PA   Ch15910869  -7.793   5.826  -1.172
   15PA    H16010870  -7.781   5.777  -1.076
   15PA    H16110871  -7.732   5.759  -1.233
   15PA   Ch16210872  -7.722   5.959  -1.197
   15PA    H16310873  -7.614   5.949  -1.179
   15PA    H16410874  -7.743   6.044  -1.133
   15PA   Ca16510875  -7.739   6.025  -1.333
   15PA    O16610876  -7.833   6.103  -1.348
   15PA    N16710877  -7.663   5.979  -1.433
   15PA   Hn16810878  -7.692   5.893  -1.478
   15PA   Ch16910879  -7.519   5.989  -1.447
   15PA    H17010880  -7.474   6.080  -1.409
   15PA    H17110881  -7.468   5.913  -1.386
   15PA   Ch17210882  -7.491   5.958  -1.593
   15PA    H17310883  -7.562   6.012  -1.657
   15PA    H17410884  -7.506   5.852  -1.610
   15PA   Ch17510885  -7.349   5.982  -1.642
   15PA    H17610886  -7.320   6.085  -1.627
   15PA    H17710887  -7.272   5.956  -1.569
   15PA   Ch17810888  -7.314   5.953  -1.788
   15PA    H17910889  -7.232   6.022  -1.810
   15PA    H18010890  -7.381   5.999  -1.860
   15PA   Ch18110891  -7.285   5.808  -1.826
   15PA    H18210892  -7.223   5.774  -1.743
   15PA    H18310893  -7.364   5.734  -1.841
   15PA   Ch18410894  -7.190   5.790  -1.943
   15PA    H18510895  -7.105   5.853  -1.918
   15PA    H18610896  -7.236   5.850  -2.021
   15PA    N18710897  -7.181   5.649  -1.976
   15PA   Hn18810898  -7.133   5.602  -1.900
   15PA   Ca18910899  -7.169   5.574  -2.087
   15PA    O19010900  -7.243   5.598  -2.181
   15PA   Ch19110901  -7.060   5.471  -2.110
   15PA    H19210902  -7.003   5.494  -2.020
   15PA    H19310903  -7.093   5.382  -2.056
   15PA   Ch19410904  -6.980   5.455  -2.238
   15PA    H19510905  -6.876   5.431  -2.214
   15PA    H19610906  -6.985   5.540  -2.307
   15PA   Ch19710907  -7.023   5.333  -2.318
   15PA    H19810908  -7.009   5.248  -2.251
   15PA    H19910909  -7.128   5.351  -2.342
   15PA   Ch20010910  -6.958   5.342  -2.455
   15PA    H20110911  -6.850   5.336  -2.441
   15PA    H20210912  -6.969   5.425  -2.525
   15PA   Ca20310913  -7.003   5.217  -2.529
   15PA    O20410914  -6.967   5.103  -2.499
   15PA    N20510915  -7.076   5.243  -2.638
   15PA   Hn20610916  -7.153   5.304  -2.618
   15PA   Ch20710917  -7.038   5.199  -2.770
   15PA    H20810918  -7.080   5.289  -2.814
   15PA    H20910919  -6.933   5.196  -2.800
   15PA   Ch21010920  -7.105   5.066  -2.803
   15PA    H21110921  -7.112   5.005  -2.713
   15PA    H21210922  -7.040   5.011  -2.871
   15PA   Ch21310923  -7.248   5.083  -2.852
   15PA    H21410924  -7.309   5.157  -2.799
   15PA    H21510925  -7.226   5.134  -2.946
   15PA   Ch21610926  -7.337   4.962  -2.872
   15PA    H21710927  -7.426   5.021  -2.895
   15PA    H21810928  -7.336   4.890  -2.790
   15PA   Ch21910929  -7.297   4.859  -2.977
   15PA    H22010930  -7.269   4.914  -3.068
   15PA    H22110931  -7.196   4.822  -2.957
   15PA   Ch22210932  -7.401   4.754  -3.009
   15PA    H22310933  -7.485   4.744  -2.939
   15PA    H22410934  -7.339   4.667  -2.988
   15PA    N22510935  -7.436   4.763  -3.149
   15PA   Hn22610936  -7.423   4.842  -3.211
   15PA   Ca22710937  -7.538   4.708  -3.215
   15PA    O22810938  -7.528   4.599  -3.270
   15PA   Ch22910939  -7.666   4.788  -3.240
   15PA    H23010940  -7.737   4.731  -3.181
   15PA    H23110941  -7.651   4.875  -3.176
   15PA   Ch23210942  -7.698   4.849  -3.376
   15PA    H23310943  -7.614   4.823  -3.441
   15PA    H23410944  -7.668   4.953  -3.365
   15PA   Ch23510945  -7.823   4.825  -3.460
   15PA    H23610946  -7.808   4.733  -3.516
   15PA    H23710947  -7.898   4.786  -3.392
   15PA   Ch23810948  -7.883   4.944  -3.533
   15PA    H23910949  -7.939   4.910  -3.620
   15PA    H24010950  -7.788   4.991  -3.558
   15PA   Ca24110951  -7.986   5.029  -3.458
   15PA    O24210952  -8.004   5.146  -3.492
   15PA    N24310953  -8.058   4.981  -3.357
   15PA   Hn24410954  -8.005   4.951  -3.277
   15PA   Ch24510955  -8.187   4.925  -3.390
   15PA    H24610956  -8.262   5.001  -3.367
   15PA    H24710957  -8.211   4.934  -3.496
   15PA   Ch24810958  -8.212   4.793  -3.318
   15PA    H24910959  -8.319   4.780  -3.301
   15PA    H25010960  -8.171   4.772  -3.219
   15PA   Ch25110961  -8.184   4.669  -3.402
   15PA    H25210962  -8.077   4.650  -3.388
   15PA    H25310963  -8.219   4.582  -3.345
   15PA   Ch25410964  -8.251   4.651  -3.537
   15PA    H25510965  -8.201   4.563  -3.580
   15PA    H25610966  -8.245   4.738  -3.603
   15PA   Ch25710967  -8.400   4.636  -3.509
   15PA    H25810968  -8.411   4.560  -3.432
   15PA    H25910969  -8.466   4.714  -3.471
   15PA   Ch26010970  -8.476   4.565  -3.620
   15PA    H26110971  -8.451   4.462  -3.647
   15PA    H26210972  -8.455   4.623  -3.710
   15PA    N26310973  -8.616   4.550  -3.588
   15PA   Hn26410974  -8.649   4.578  -3.497
   15PA   Ca26510975  -8.718   4.543  -3.674
   15PA    O26610976  -8.724   4.450  -3.755
   15PA   Ch26710977  -8.801   4.667  -3.705
   15PA    H26810978  -8.803   4.743  -3.628
   15PA    H26910979  -8.757   4.713  -3.794
   15PA   Ch27010980  -8.944   4.659  -3.756
   15PA    H27110981  -8.989   4.588  -3.685
   15PA    H27210982  -8.974   4.616  -3.852
   15PA   Ch27310983  -9.017   4.792  -3.751
   15PA    H27410984  -9.050   4.788  -3.647
   15PA    H27510985  -8.952   4.876  -3.777
   15PA   Ch27610986  -9.132   4.818  -3.848
   15PA    H27710987  -9.208   4.863  -3.785
   15PA    H27810988  -9.162   4.723  -3.893
   15PA   Ca27910989  -9.105   4.923  -3.955
   15PA    O28010990  -9.150   5.037  -3.959
   15PA    N28110991  -9.028   4.880  -4.055
   15PA   Hn28210992  -8.935   4.911  -4.032
   15PA   Ch28310993  -9.033   4.843  -4.195
   15PA    H28410994  -9.104   4.762  -4.209
   15PA    H28510995  -9.062   4.932  -4.252
   15PA   Ch28610996  -8.912   4.796  -4.275
   15PA    H28710997  -8.866   4.718  -4.214
   15PA    H28810998  -8.837   4.871  -4.253
   15PA   Ch28910999  -8.940   4.774  -4.424
   15PA    H29011000  -9.012   4.692  -4.434
   15PA    H29111001  -8.982   4.863  -4.471
   15PA   Ch29211002  -8.812   4.725  -4.490
   15PA    H29311003  -8.821   4.648  -4.567
   15PA    H29411004  -8.741   4.686  -4.416
   15PA   Ch29511005  -8.740   4.843  -4.554
   15PA    H29611006  -8.705   4.918  -4.484
   15PA    H29711007  -8.646   4.792  -4.578
   15PA   Ch29811008  -8.801   4.902  -4.680
   15PA    H29911009  -8.750   4.997  -4.690
   15PA    H30011010  -8.906   4.930  -4.677
   15PA    N30111011  -8.758   4.830  -4.799
   15PA   Hn30211012  -8.658   4.834  -4.816
   15PA   Ca30311013  -8.832   4.752  -4.878
   15PA    O30411014  -8.924   4.805  -4.940
   15PA   Ch30511015  -8.823   4.600  -4.879
   15PA    H30611016  -8.826   4.583  -4.771
   15PA    H30711017  -8.925   4.566  -4.897
   15PA   Ch30811018  -8.714   4.518  -4.946
   15PA    H30911019  -8.631   4.519  -4.876
   15PA    H31011020  -8.685   4.580  -5.031
   15PA   Ch31111021  -8.755   4.375  -4.980
   15PA    H31211022  -8.667   4.310  -4.989
   15PA    H31311023  -8.822   4.363  -4.894
   15PA   Ch31411024  -8.820   4.372  -5.117
   15PA    H31511025  -8.797   4.445  -5.196
   15PA    H31611026  -8.926   4.395  -5.104
   15PA   Ca31711027  -8.794   4.241  -5.189
   15PA    O31811028  -8.876   4.151  -5.175
   15PA    N31911029  -8.692   4.221  -5.273
   15PA   Hn32011030  -8.700   4.293  -5.343
   15PA   Ch32111031  -8.571   4.144  -5.253
   15PA    H32211032  -8.523   4.178  -5.161
   15PA    H32311033  -8.598   4.038  -5.251
   15PA   Ch32411034  -8.480   4.149  -5.375
   15PA    H32511035  -8.463   4.249  -5.415
   15PA    H32611036  -8.511   4.064  -5.436
   15PA   Ch32711037  -8.332   4.124  -5.351
   15PA    H32811038  -8.302   4.189  -5.268
   15PA    H32911039  -8.324   4.025  -5.306
   15PA   Ch33011040  -8.231   4.153  -5.461
   15PA    H33111041  -8.247   4.254  -5.498
   15PA    H33211042  -8.268   4.112  -5.556
   15PA   Ch33311043  -8.085   4.115  -5.434
   15PA    H33411044  -8.074   4.192  -5.357
   15PA    H33511045  -8.078   4.024  -5.375
   15PA   Ch33611046  -7.995   4.123  -5.556
   15PA    H33711047  -7.976   4.228  -5.576
   15PA    H33811048  -8.056   4.075  -5.634
   15PA    N33911049  -7.875   4.043  -5.541
   15PA   Hn34011050  -7.853   3.992  -5.456
   15PA   Ca34111051  -7.764   4.064  -5.611
   15PA    O34211052  -7.760   4.070  -5.734
   15PA   Ch34311053  -7.659   4.136  -5.528
   15PA    H34411054  -7.635   4.228  -5.581
   15PA    H34511055  -7.698   4.180  -5.436
   15PA   Ch34611056  -7.545   4.046  -5.480
   15PA    H34711057  -7.535   3.973  -5.560
   15PA    H34811058  -7.587   4.012  -5.385
   15PA   Ch34911059  -7.407   4.111  -5.482
   15PA    H35011060  -7.332   4.036  -5.506
   15PA    H35111061  -7.385   4.170  -5.570
   15PA   Ch35211062  -7.374   4.190  -5.356
   15PA    H35311063  -7.286   4.146  -5.308
   15PA    H35411064  -7.458   4.167  -5.289
   15PA   Ca35511065  -7.380   4.342  -5.361
   15PA    O35611066  -7.479   4.414  -5.372
   15PA    N35711067  -7.256   4.385  -5.384
   15PA   Hn35811068  -7.204   4.322  -5.444
   15PA   Ch35911069  -7.169   4.445  -5.285
   15PA    H36011070  -7.219   4.487  -5.199
   15PA    H36111071  -7.122   4.366  -5.225
   15PA   Ch36211072  -7.080   4.548  -5.353
   15PA    H36311073  -7.152   4.620  -5.393
   15PA    H36411074  -7.033   4.511  -5.444
   15PA   Ch36511075  -6.988   4.640  -5.273
   15PA    H36611076  -6.923   4.557  -5.248
   15PA    H36711077  -6.936   4.700  -5.348
   15PA   Ch36811078  -7.041   4.725  -5.158
   15PA    H36911079  -7.093   4.662  -5.085
   15PA    H37011080  -7.105   4.803  -5.199
   15PA   Ch37111081  -6.926   4.787  -5.081
   15PA    H37211082  -6.869   4.705  -5.037
   15PA    H37311083  -6.855   4.860  -5.121
   15PA   Ch37411084  -6.972   4.838  -4.946
   15PA    H37511085  -7.017   4.756  -4.888
   15PA    H37611086  -7.052   4.912  -4.938
   15PA    N37711087  -6.861   4.887  -4.866
   15PA   Hn37811088  -6.820   4.979  -4.878
   15PA   Ca37911089  -6.839   4.862  -4.737
   15PA    O38011090  -6.779   4.762  -4.699
   15PA   Ch38111091  -6.870   4.966  -4.630
   15PA    H38211092  -6.861   4.919  -4.531
   15PA    H38311093  -6.799   5.042  -4.661
   15PA   Ch38411094  -7.003   5.035  -4.655
   15PA    H38511095  -7.066   4.999  -4.574
   15PA    H38611096  -7.046   4.981  -4.739
   15PA   Ch38711097  -7.020   5.187  -4.651
   15PA    H38811098  -7.079   5.214  -4.564
   15PA    H38911099  -6.924   5.235  -4.635
   15PA   Ch39011100  -7.047   5.268  -4.777
   15PA    H39111101  -7.030   5.206  -4.865
   15PA    H39211102  -6.986   5.358  -4.784
   15PA   Ca39311103  -7.190   5.306  -4.816
   15PA    O39411104  -7.270   5.213  -4.830
   15PA    N39511105  -7.227   5.426  -4.772
   15PA   Hn39611106  -7.144   5.449  -4.718
   15PA   Ch39711107  -7.278   5.530  -4.858
   15PA    H39811108  -7.197   5.555  -4.926
   15PA    H39911109  -7.371   5.489  -4.899
   15PA   Ch40011110  -7.310   5.650  -4.770
   15PA    H40111111  -7.247   5.735  -4.740
   15PA    H40211112  -7.365   5.608  -4.686
   15PA   Ch40311113  -7.426   5.717  -4.842
   15PA    H40411114  -7.387   5.756  -4.936
   15PA    H40511115  -7.496   5.641  -4.877
   15PA   Ch40611116  -7.499   5.823  -4.763
   15PA    H40711117  -7.424   5.901  -4.777
   15PA    H40811118  -7.513   5.790  -4.660
   15PA   Ch40911119  -7.643   5.866  -4.788
   15PA    H41011120  -7.649   5.971  -4.759
   15PA    H41111121  -7.665   5.892  -4.892
   15PA   Ch41211122  -7.755   5.778  -4.733
   15PA    H41311123  -7.738   5.671  -4.726
   15PA    H41411124  -7.839   5.781  -4.803
   15PA    N41511125  -7.788   5.843  -4.608
   15PA   Hn41611126  -7.772   5.942  -4.611
   15PA   Ca41711127  -7.833   5.803  -4.488
   15PA    O41811128  -7.941   5.751  -4.460
   15PA   Ch41911129  -7.727   5.831  -4.382
   15PA    H42011130  -7.659   5.746  -4.377
   15PA    H42111131  -7.660   5.916  -4.393
   15PA   Ch42211132  -7.771   5.866  -4.241
   15PA    H42311133  -7.868   5.913  -4.258
   15PA    H42411134  -7.705   5.932  -4.185
   15PA   Ch42511135  -7.794   5.740  -4.158
   15PA    H42611136  -7.880   5.697  -4.211
   15PA    H42711137  -7.698   5.693  -4.176
   15PA   Ch42811138  -7.810   5.739  -4.007
   15PA    H42911139  -7.731   5.808  -3.978
   15PA    H43011140  -7.811   5.633  -3.982
   15PA   Ca43111141  -7.937   5.801  -3.951
   15PA    O43211142  -7.928   5.886  -3.863
   15PA    N43311143  -8.053   5.759  -4.002
   15PA   Hn43411144  -8.101   5.715  -3.925
   15PA   Ch43511145  -8.136   5.800  -4.114
   15PA    H43611146  -8.213   5.868  -4.078
   15PA    H43711147  -8.086   5.879  -4.170
   15PA   Ch43811148  -8.204   5.685  -4.188
   15PA    H43911149  -8.132   5.649  -4.262
   15PA    H44011150  -8.281   5.725  -4.255
   15PA   Ch44111151  -8.263   5.565  -4.117
   15PA    H44211152  -8.182   5.493  -4.097
   15PA    H44311153  -8.292   5.621  -4.028
   15PA   Ch44411154  -8.379   5.490  -4.180
   15PA    H44511155  -8.428   5.571  -4.233
   15PA    H44611156  -8.448   5.456  -4.102
   15PA   Ch44711157  -8.348   5.393  -4.293
   15PA    H44811158  -8.426   5.409  -4.367
   15PA    H44911159  -8.255   5.410  -4.349
   15PA   Ch45011160  -8.345   5.251  -4.241
   15PA    H45111161  -8.437   5.217  -4.193
   15PA    H45211162  -8.265   5.258  -4.168
   15PA    N45311163  -8.325   5.172  -4.362
   15PA   Hn45411164  -8.285   5.213  -4.445
   15PA   Ca45511165  -8.392   5.069  -4.414
   15PA    O45611166  -8.433   4.971  -4.353
   15PA   Ch45711167  -8.455   5.099  -4.549
   15PA    H45811168  -8.561   5.079  -4.535
   15PA    H45911169  -8.474   5.206  -4.557
   15PA   Ch46011170  -8.393   5.066  -4.684
   15PA    H46111171  -8.475   5.033  -4.747
   15PA    H46211172  -8.326   4.979  -4.688
   15PA   Ch46311173  -8.318   5.187  -4.737
   15PA    H46411174  -8.368   5.283  -4.752
   15PA    H46511175  -8.235   5.202  -4.668
   15PA   Ch46611176  -8.238   5.149  -4.861
   15PA    H46711177  -8.269   5.057  -4.911
   15PA    H46811178  -8.132   5.154  -4.840
   15PA   Ca46911179  -8.238   5.252  -4.973
   15PA    O47011180  -8.350   5.278  -5.017
   15PA    N47111181  -8.166   5.364  -4.966
   15PA   Hn47211182  -8.187   5.400  -4.874
   15PA   Ch47311183  -8.027   5.376  -5.007
   15PA    H47411184  -7.963   5.309  -4.950
   15PA    H47511185  -8.024   5.334  -5.107
   15PA   Ch47611186  -7.974   5.519  -5.008
   15PA    H47711187  -8.001   5.576  -4.919
   15PA    H47811188  -8.012   5.576  -5.093
   15PA   Ch47911189  -7.822   5.520  -5.011
   15PA    H48011190  -7.777   5.557  -4.919
   15PA    H48111191  -7.793   5.415  -5.018
   15PA   Ch48211192  -7.755   5.602  -5.120
   15PA    H48311193  -7.729   5.702  -5.087
   15PA    H48411194  -7.841   5.640  -5.176
   15PA   Ch48511195  -7.657   5.534  -5.215
   15PA    H48611196  -7.712   5.442  -5.238
   15PA    H48711197  -7.664   5.583  -5.312
   15PA   Ch48811198  -7.519   5.492  -5.166
   15PA    H48911199  -7.529   5.424  -5.081
   15PA    H49011200  -7.467   5.587  -5.149
   15PA    N49111201  -7.455   5.412  -5.268
   15PA   Hn49211202  -7.506   5.339  -5.316
   15PA   Ca49311203  -7.327   5.407  -5.307
   15PA    O49411204  -7.274   5.505  -5.358
   15PA   Ch49511205  -7.257   5.279  -5.264
   15PA    H49611206  -7.331   5.228  -5.201
   15PA    H49711207  -7.241   5.216  -5.351
   15PA   Ch49811208  -7.123   5.282  -5.191
   15PA    H49911209  -7.121   5.203  -5.116
   15PA    H50011210  -7.123   5.369  -5.125
   15PA   Ch50111211  -7.008   5.269  -5.289
   15PA    H50211212  -7.001   5.325  -5.382
   15PA    H50311213  -6.929   5.330  -5.245
   15PA   Ch50411214  -6.945   5.130  -5.290
   15PA    H50511215  -7.002   5.070  -5.361
   15PA    H50611216  -6.946   5.093  -5.188
   15PA   Ca50711217  -6.800   5.112  -5.332
   15PA    O50811218  -6.767   5.064  -5.440
   15PA    N50911219  -6.705   5.190  -5.280
   15PA   Hn51011220  -6.719   5.203  -5.181
   15PA   Ch51111221  -6.621   5.288  -5.346
   15PA    H51211222  -6.534   5.242  -5.300
   15PA    H51311223  -6.621   5.271  -5.454
   15PA   Ch51411224  -6.661   5.431  -5.313
   15PA    H51511225  -6.601   5.442  -5.223
   15PA    H51611226  -6.758   5.472  -5.287
   15PA   Ch51711227  -6.592   5.539  -5.395
   15PA    H51811228  -6.483   5.548  -5.396
   15PA    H51911229  -6.622   5.510  -5.495
   15PA   Ch52011230  -6.634   5.684  -5.373
   15PA    H52111231  -6.736   5.681  -5.334
   15PA    H52211232  -6.604   5.743  -5.460
   15PA   Ch52311233  -6.564   5.745  -5.252
   15PA    H52411234  -6.583   5.676  -5.170
   15PA    H52511235  -6.457   5.737  -5.269
   15PA   Ch52611236  -6.623   5.884  -5.234
   15PA    H52711237  -6.732   5.877  -5.232
   15PA    H52811238  -6.601   5.947  -5.320
   15PA    N52911239  -6.563   5.951  -5.121
   15PA   Hn53011240  -6.621   5.950  -5.038
   15PA   Ca53111241  -6.494   6.065  -5.120
   15PA    O53211242  -6.384   6.078  -5.175
   15PA   Ch53311243  -6.583   6.181  -5.080
   15PA    H53411244  -6.659   6.154  -5.006
   15PA    H53511245  -6.527   6.234  -5.003
   15PA   Ch53611246  -6.636   6.289  -5.173
   15PA    H53711247  -6.685   6.370  -5.118
   15PA    H53811248  -6.720   6.251  -5.230
   15PA   Ch53911249  -6.551   6.348  -5.284
   15PA    H54011250  -6.457   6.366  -5.232
   15PA    H54111251  -6.557   6.293  -5.378
   15PA   Ch54211252  -6.560   6.497  -5.313
   15PA    H54311253  -6.535   6.563  -5.230
   15PA    H54411254  -6.661   6.528  -5.341
   15PA   Ca54511255  -6.459   6.553  -5.412
   15PA    O54611256  -6.461   6.512  -5.528
   15PA    N54711257  -6.350   6.613  -5.363
   15PA   Hn54811258  -6.373   6.696  -5.310
   15PA   Ch54911259  -6.211   6.572  -5.359
   15PA    H55011260  -6.204   6.487  -5.289
   15PA    H55111261  -6.167   6.542  -5.454
   15PA   Ch55211262  -6.142   6.665  -5.260
   15PA    H55311263  -6.178   6.663  -5.157
   15PA    H55411264  -6.169   6.758  -5.310
   15PA   Ch55511265  -5.992   6.645  -5.251
   15PA    H55611266  -5.961   6.548  -5.209
   15PA    H55711267  -5.957   6.653  -5.354
   15PA   Ch55811268  -5.921   6.742  -5.157
   15PA    H55911269  -5.930   6.695  -5.059
   15PA    H56011270  -5.979   6.834  -5.151
   15PA   Ch56111271  -5.775   6.767  -5.189
   15PA    H56211272  -5.734   6.666  -5.187
   15PA    H56311273  -5.755   6.799  -5.292
   15PA   Ch56411274  -5.711   6.887  -5.121
   15PA    H56511275  -5.745   6.873  -5.018
   15PA    H56611276  -5.737   6.989  -5.149
   15PA    N56711277  -5.567   6.878  -5.114
   15PA   Hn56811278  -5.517   6.921  -5.191
   15PA   Ca56911279  -5.469   6.830  -5.036
   15PA    O57011280  -5.453   6.710  -5.018
   15PA   Ch57111281  -5.393   6.937  -4.959
   15PA    H57211282  -5.288   6.927  -4.989
   15PA    H57311283  -5.429   7.038  -4.979
   15PA   Ch57411284  -5.398   6.911  -4.809
   15PA    H57511285  -5.401   6.807  -4.775
   15PA    H57611286  -5.488   6.960  -4.772
   15PA   Ch57711287  -5.269   6.951  -4.740
   15PA    H57811288  -5.204   6.868  -4.766
   15PA    H57911289  -5.221   7.042  -4.778
   15PA   Ch58011290  -5.263   6.957  -4.588
   15PA    H58111291  -5.248   6.863  -4.536
   15PA    H58211292  -5.364   6.986  -4.558
   15PA   Ca58311293  -5.170   7.067  -4.538
   15PA    O58411294  -5.205   7.171  -4.482
   15PA    N58511295  -5.040   7.037  -4.531
   15PA   Hn58611296  -5.020   6.985  -4.615
   15PA   Ch58711297  -4.960   7.008  -4.414
   15PA    H58811298  -4.953   7.097  -4.351
   15PA    H58911299  -5.025   6.938  -4.361
   15PA   Ch59011300  -4.819   6.965  -4.454
   15PA    H59111301  -4.749   7.042  -4.422
   15PA    H59211302  -4.795   6.933  -4.556
   15PA   Ch59311303  -4.787   6.836  -4.380
   15PA    H59411304  -4.831   6.843  -4.281
   15PA    H59511305  -4.832   6.750  -4.428
   15PA   Ch59611306  -4.637   6.808  -4.380
   15PA    H59711307  -4.611   6.902  -4.332
   15PA    H59811308  -4.593   6.820  -4.480
   15PA   Ch59911309  -4.584   6.695  -4.293
   15PA    H60011310  -4.479   6.721  -4.278
   15PA    H60111311  -4.636   6.724  -4.202
   15PA   Ch60211312  -4.616   6.554  -4.342
   15PA    H60311313  -4.710   6.522  -4.387
   15PA    H60411314  -4.623   6.490  -4.253
   15PA    N60511315  -4.498   6.510  -4.412
   15PA   Hn60611316  -4.446   6.588  -4.451
   15PA   Ca60711317  -4.415   6.407  -4.397
   15PA    O60811318  -4.413   6.326  -4.490
   15PA   Ch60911319  -4.284   6.416  -4.320
   15PA    H61011320  -4.201   6.434  -4.388
   15PA    H61111321  -4.277   6.511  -4.267
   15PA   Ch61211322  -4.267   6.312  -4.209
   15PA    H61311323  -4.254   6.217  -4.261
   15PA    H61411324  -4.367   6.305  -4.167
   15PA   Ch61511325  -4.148   6.327  -4.116
   15PA    H61611326  -4.073   6.265  -4.167
   15PA    H61711327  -4.122   6.432  -4.106
   15PA   Ch61811328  -4.149   6.272  -3.974
   15PA    H61911329  -4.176   6.356  -3.910
   15PA    H62011330  -4.047   6.266  -3.936
   15PA   Ca62111331  -4.237   6.165  -3.913
   15PA    O62211332  -4.353   6.188  -3.878
   15PA    N62311333  -4.187   6.041  -3.922
   15PA   Hn62411334  -4.137   6.031  -3.835
   15PA   Ch62511335  -4.203   5.928  -4.012
   15PA    H62611336  -4.254   5.848  -3.958
   15PA    H62711337  -4.266   5.949  -4.098
   15PA   Ch62811338  -4.065   5.883  -4.058
   15PA    H62911339  -3.989   5.955  -4.029
   15PA    H63011340  -4.073   5.879  -4.167
   15PA   Ch63111341  -4.030   5.735  -4.057
   15PA    H63211342  -4.107   5.670  -4.099
   15PA    H63311343  -3.958   5.701  -4.132
   15PA   Ch63411344  -3.976   5.686  -3.924
   15PA    H63511345  -4.054   5.716  -3.854
   15PA    H63611346  -3.875   5.718  -3.896
   15PA   Ch63711347  -3.967   5.538  -3.890
   15PA    H63811348  -4.061   5.484  -3.902
   15PA    H63911349  -3.895   5.503  -3.964
   15PA   Ch64011350  -3.914   5.509  -3.750
   15PA    H64111351  -3.990   5.515  -3.671
   15PA    H64211352  -3.830   5.575  -3.728
   15PA    N64311353  -3.868   5.372  -3.739
   15PA   Hn64411354  -3.883   5.316  -3.822
   15PA   Ca64511355  -3.757   5.317  -3.690
   15PA    O64611356  -3.762   5.294  -3.569
   15PA   Ch64711357  -3.636   5.295  -3.779
   15PA    H64811358  -3.592   5.198  -3.755
   15PA    H64911359  -3.683   5.303  -3.877
   15PA   Ch65011360  -3.522   5.393  -3.758
   15PA    H65111361  -3.478   5.390  -3.658
   15PA    H65211362  -3.568   5.492  -3.767
   15PA   Ch65311363  -3.414   5.387  -3.865
   15PA    H65411364  -3.427   5.309  -3.940
   15PA    H65511365  -3.407   5.475  -3.928
   15PA   Ch65611366  -3.278   5.334  -3.821
   15PA    H65711367  -3.280   5.234  -3.777
   15PA    H65811368  -3.248   5.388  -3.731
   15PA   Ca65911369  -3.159   5.332  -3.915
   15PA    O66011370  -3.050   5.380  -3.884
   15PA    N66111371  -3.173   5.278  -4.036
   15PA   Hn66211372  -3.167   5.177  -4.029
   15PA   Ch66311373  -3.216   5.335  -4.162
   15PA    H66411374  -3.306   5.395  -4.174
   15PA    H66511375  -3.126   5.388  -4.197
   15PA   Ch66611376  -3.219   5.225  -4.268
   15PA    H66711377  -3.175   5.130  -4.238
   15PA    H66811378  -3.152   5.266  -4.344
   15PA   Ch66911379  -3.354   5.194  -4.331
   15PA    H67011380  -3.348   5.109  -4.398
   15PA    H67111381  -3.423   5.156  -4.255
   15PA   Ch67211382  -3.414   5.312  -4.407
   15PA    H67311383  -3.342   5.393  -4.417
   15PA    H67411384  -3.495   5.353  -4.348
   15PA   Ch67511385  -3.490   5.282  -4.536
   15PA    H67611386  -3.415   5.268  -4.615
   15PA    H67711387  -3.524   5.179  -4.534
   15PA   Ch67811388  -3.570   5.397  -4.596
   15PA    H67911389  -3.519   5.494  -4.591
   15PA    H68011390  -3.650   5.427  -4.528
   15PA    N68111391  -3.604   5.372  -4.734
   15PA   Hn68211392  -3.532   5.339  -4.797
   15PA   Ca68311393  -3.723   5.370  -4.794
   15PA    O68411394  -3.796   5.467  -4.814
   15PA   Ch68511395  -3.744   5.232  -4.855
   15PA    H68611396  -3.664   5.166  -4.823
   15PA    H68711397  -3.817   5.167  -4.808
   15PA   Ch68811398  -3.757   5.213  -5.006
   15PA    H68911399  -3.703   5.288  -5.063
   15PA    H69011400  -3.850   5.251  -5.047
   15PA   Ch69111401  -3.772   5.076  -5.071
   15PA    H69211402  -3.874   5.038  -5.059
   15PA    H69311403  -3.766   5.097  -5.178
   15PA   Ch69411404  -3.643   4.996  -5.068
   15PA    H69511405  -3.684   4.901  -5.100
   15PA    H69611406  -3.622   4.980  -4.962
   15PA   Ca69711407  -3.524   5.034  -5.156
   15PA    O69811408  -3.526   5.040  -5.279
   15PA    N69911409  -3.421   5.075  -5.082
   15PA   Hn70011410  -3.418   4.992  -5.025
   15PA   Ch70111411  -3.381   5.209  -5.045
   15PA    H70211412  -3.322   5.262  -5.120
   15PA    H70311413  -3.460   5.263  -4.992
   15PA   Ch70411414  -3.292   5.186  -4.924
   15PA    H70511415  -3.224   5.104  -4.946
   15PA    H70611416  -3.350   5.166  -4.833
   15PA   Ch70711417  -3.231   5.318  -4.880
   15PA    H70811418  -3.209   5.368  -4.975
   15PA    H70911419  -3.306   5.382  -4.833
   15PA   Ch71011420  -3.123   5.311  -4.773
   15PA    H71111421  -3.043   5.255  -4.822
   15PA    H71211422  -3.156   5.239  -4.698
   15PA   Ch71311423  -3.068   5.441  -4.717
   15PA    H71411424  -2.961   5.436  -4.694
   15PA    H71511425  -3.067   5.519  -4.795
   15PA   Ch71611426  -3.137   5.494  -4.593
   15PA    H71711427  -3.068   5.476  -4.510
   15PA    H71811428  -3.226   5.438  -4.564
   15PA    N71911429  -3.159   5.636  -4.577
   15PA   Hn72011430  -3.144   5.704  -4.651
   15PA   Ca72111431  -3.233   5.684  -4.476
   15PA    O72211432  -3.211   5.645  -4.361
   15PA   Ch72311433  -3.371   5.734  -4.513
   15PA    H72411434  -3.377   5.721  -4.621
   15PA    H72511435  -3.440   5.655  -4.485
   15PA   Ch72611436  -3.432   5.865  -4.464
   15PA    H72711437  -3.358   5.908  -4.397
   15PA    H72811438  -3.529   5.844  -4.418
   15PA   Ch72911439  -3.475   5.951  -4.583
   15PA    H73011440  -3.404   5.943  -4.665
   15PA    H73111441  -3.579   5.926  -4.602
   15PA   Ch73211442  -3.488   6.098  -4.547
   15PA    H73311443  -3.401   6.128  -4.489
   15PA    H73411444  -3.579   6.127  -4.493
   15PA   Ca73511445  -3.508   6.180  -4.673
   15PA    O73611446  -3.601   6.172  -4.753
   15PA    N73711447  -3.397   6.235  -4.722
   15PA   Hn73811448  -3.348   6.271  -4.641
   15PA   Ch73911449  -3.299   6.174  -4.810
   15PA    H74011450  -3.259   6.090  -4.752
   15PA    H74111451  -3.345   6.143  -4.904
   15PA   Ch74211452  -3.210   6.284  -4.865
   15PA    H74311453  -3.168   6.341  -4.782
   15PA    H74411454  -3.283   6.338  -4.925
   15PA   Ch74511455  -3.108   6.211  -4.951
   15PA    H74611456  -3.086   6.110  -4.916
   15PA    H74711457  -3.163   6.203  -5.044
   15PA   Ch74811458  -2.971   6.274  -4.974
   15PA    H74911459  -2.975   6.376  -4.937
   15PA    H75011460  -2.903   6.220  -4.908
   15PA   Ch75111461  -2.928   6.290  -5.120
   15PA    H75211462  -3.000   6.260  -5.196
   15PA    H75311463  -2.915   6.396  -5.142
   15PA   Ch75411464  -2.794   6.225  -5.153
   15PA    H75511465  -2.723   6.191  -5.078
   15PA    H75611466  -2.738   6.291  -5.220
   15PA    N75711467  -2.802   6.095  -5.216
   15PA   Hn75811468  -2.764   6.016  -5.165
   15PA   Ca75911469  -2.835   6.051  -5.337
   15PA    O76011470  -2.941   6.084  -5.391
   15PA   Ch76111471  -2.714   6.013  -5.421
   15PA    H76211472  -2.666   6.106  -5.450
   15PA    H76311473  -2.638   5.949  -5.377
   15PA    H76411474  -9.339   5.551  -2.340
   15PA    H76511475  -2.762   5.957  -5.502
   16PA     Ch111476   5.474 -15.591  -0.832
   16PA      H211477   5.390 -15.596  -0.764
   16PA      H311478   5.561 -15.581  -0.767
   16PA     Ch411479   5.473 -15.468  -0.922
   16PA      H511480   5.395 -15.411  -0.869
   16PA      H611481   5.424 -15.480  -1.018
   16PA     Ch711482   5.598 -15.383  -0.938
   16PA      H811483   5.615 -15.328  -0.845
   16PA      H911484   5.685 -15.443  -0.966
   16PA    Ch1011485   5.593 -15.255  -1.021
   16PA     H1111486   5.576 -15.166  -0.961
   16PA     H1211487   5.511 -15.243  -1.092
   16PA    Ca1311488   5.719 -15.226  -1.101
   16PA     O1411489   5.708 -15.234  -1.223
   16PA     N1511490   5.827 -15.179  -1.038
   16PA    Hn1611491   5.806 -15.111  -0.966
   16PA    Ch1711492   5.948 -15.251  -1.005
   16PA     H1811493   5.944 -15.335  -0.936
   16PA     H1911494   6.008 -15.277  -1.092
   16PA    Ch2011495   6.043 -15.172  -0.916
   16PA     H2111496   5.997 -15.161  -0.817
   16PA     H2211497   6.051 -15.073  -0.961
   16PA    Ch2311498   6.190 -15.210  -0.902
   16PA     H2411499   6.230 -15.206  -1.004
   16PA     H2511500   6.247 -15.131  -0.855
   16PA    Ch2611501   6.235 -15.339  -0.835
   16PA     H2711502   6.149 -15.406  -0.834
   16PA     H2811503   6.226 -15.318  -0.728
   16PA    Ch2911504   6.354 -15.412  -0.895
   16PA     H3011505   6.438 -15.341  -0.892
   16PA     H3111506   6.384 -15.492  -0.827
   16PA    Ch3211507   6.362 -15.481  -1.030
   16PA     H3311508   6.330 -15.410  -1.107
   16PA     H3411509   6.292 -15.564  -1.018
   16PA     N3511510   6.495 -15.527  -1.063
   16PA    Hn3611511   6.521 -15.622  -1.039
   16PA    Ca3711512   6.599 -15.444  -1.074
   16PA     O3811513   6.594 -15.354  -1.158
   16PA    Ch3911514   6.719 -15.444  -0.981
   16PA     H4011515   6.731 -15.535  -0.922
   16PA     H4111516   6.799 -15.427  -1.054
   16PA    Ch4211517   6.717 -15.330  -0.880
   16PA     H4311518   6.692 -15.377  -0.785
   16PA     H4411519   6.652 -15.247  -0.907
   16PA    Ch4511520   6.851 -15.271  -0.837
   16PA     H4611521   6.914 -15.356  -0.809
   16PA     H4711522   6.913 -15.220  -0.911
   16PA    Ch4811523   6.826 -15.178  -0.719
   16PA     H4911524   6.836 -15.251  -0.639
   16PA     H5011525   6.729 -15.127  -0.720
   16PA    Ca5111526   6.935 -15.074  -0.695
   16PA     O5211527   6.919 -14.953  -0.706
   16PA     N5311528   7.047 -15.123  -0.640
   16PA    Hn5411529   7.098 -15.184  -0.702
   16PA    Ch5511530   7.064 -15.155  -0.500
   16PA     H5611531   7.016 -15.085  -0.432
   16PA     H5711532   7.012 -15.250  -0.486
   16PA    Ch5811533   7.210 -15.189  -0.469
   16PA     H5911534   7.270 -15.105  -0.503
   16PA     H6011535   7.238 -15.285  -0.512
   16PA    Ch6111536   7.225 -15.203  -0.318
   16PA     H6211537   7.128 -15.226  -0.275
   16PA     H6311538   7.297 -15.283  -0.304
   16PA    Ch6411539   7.270 -15.081  -0.239
   16PA     H6511540   7.193 -15.003  -0.233
   16PA     H6611541   7.350 -15.029  -0.292
   16PA    Ch6711542   7.279 -15.107  -0.089
   16PA     H6811543   7.172 -15.114  -0.066
   16PA     H6911544   7.326 -15.199  -0.057
   16PA    Ch7011545   7.351 -14.996  -0.014
   16PA     H7111546   7.349 -14.896  -0.058
   16PA     H7211547   7.460 -14.998  -0.015
   16PA     N7311548   7.317 -15.004   0.127
   16PA    Hn7411549   7.386 -15.019   0.200
   16PA    Ca7511550   7.202 -14.969   0.185
   16PA     O7611551   7.088 -15.010   0.165
   16PA    Ch7711552   7.218 -14.848   0.276
   16PA     H7811553   7.285 -14.894   0.349
   16PA     H7911554   7.261 -14.772   0.211
   16PA    Ch8011555   7.106 -14.784   0.358
   16PA     H8111556   7.040 -14.868   0.379
   16PA     H8211557   7.050 -14.721   0.289
   16PA    Ch8311558   7.170 -14.714   0.477
   16PA     H8411559   7.202 -14.811   0.515
   16PA     H8511560   7.254 -14.651   0.449
   16PA    Ch8611561   7.055 -14.633   0.537
   16PA     H8711562   6.952 -14.661   0.517
   16PA     H8811563   7.074 -14.531   0.503
   16PA    Ca8911564   7.063 -14.634   0.689
   16PA     O9011565   6.986 -14.697   0.761
   16PA     N9111566   7.158 -14.556   0.740
   16PA    Hn9211567   7.239 -14.566   0.680
   16PA    Ch9311568   7.133 -14.419   0.780
   16PA     H9411569   7.072 -14.361   0.710
   16PA     H9511570   7.076 -14.425   0.872
   16PA    Ch9611571   7.263 -14.352   0.822
   16PA     H9711572   7.299 -14.339   0.720
   16PA     H9811573   7.329 -14.426   0.868
   16PA    Ch9911574   7.250 -14.221   0.898
   16PA    H10011575   7.192 -14.142   0.851
   16PA    H10111576   7.182 -14.243   0.981
   16PA   Ch10211577   7.377 -14.169   0.964
   16PA    H10311578   7.439 -14.138   0.880
   16PA    H10411579   7.441 -14.247   1.006
   16PA   Ch10511580   7.368 -14.082   1.088
   16PA    H10611581   7.469 -14.048   1.112
   16PA    H10711582   7.305 -13.998   1.060
   16PA   Ch10811583   7.341 -14.137   1.228
   16PA    H10911584   7.379 -14.239   1.231
   16PA    H11011585   7.233 -14.149   1.241
   16PA    N11111586   7.395 -14.047   1.328
   16PA   Hn11211587   7.383 -13.949   1.304
   16PA   Ca11311588   7.376 -14.054   1.460
   16PA    O11411589   7.459 -14.123   1.519
   16PA   Ch11511590   7.292 -13.954   1.537
   16PA    H11611591   7.368 -13.877   1.554
   16PA    H11711592   7.214 -13.928   1.466
   16PA   Ch11811593   7.220 -13.995   1.665
   16PA    H11911594   7.250 -14.098   1.683
   16PA    H12011595   7.113 -14.003   1.651
   16PA   Ch12111596   7.256 -13.904   1.782
   16PA    H12211597   7.358 -13.898   1.820
   16PA    H12311598   7.226 -13.802   1.757
   16PA   Ch12411599   7.192 -13.963   1.907
   16PA    H12511600   7.091 -14.004   1.897
   16PA    H12611601   7.150 -13.868   1.941
   16PA   Ca12711602   7.268 -14.048   2.008
   16PA    O12811603   7.390 -14.061   2.012
   16PA    N12911604   7.198 -14.116   2.099
   16PA   Hn13011605   7.141 -14.042   2.139
   16PA   Ch13111606   7.163 -14.254   2.124
   16PA    H13211607   7.056 -14.273   2.111
   16PA    H13311608   7.209 -14.335   2.068
   16PA   Ch13411609   7.197 -14.288   2.268
   16PA    H13511610   7.203 -14.194   2.323
   16PA    H13611611   7.305 -14.292   2.281
   16PA   Ch13711612   7.140 -14.416   2.330
   16PA    H13811613   7.032 -14.410   2.343
   16PA    H13911614   7.147 -14.494   2.254
   16PA   Ch14011615   7.206 -14.456   2.461
   16PA    H14111616   7.315 -14.444   2.453
   16PA    H14211617   7.219 -14.563   2.481
   16PA   Ch14311618   7.163 -14.369   2.578
   16PA    H14411619   7.257 -14.338   2.625
   16PA    H14511620   7.098 -14.287   2.547
   16PA   Ch14611621   7.082 -14.448   2.679
   16PA    H14711622   7.150 -14.529   2.705
   16PA    H14811623   6.983 -14.483   2.648
   16PA    N14911624   7.062 -14.374   2.802
   16PA   Hn15011625   7.126 -14.295   2.804
   16PA   Ca15111626   6.954 -14.369   2.880
   16PA    O15211627   6.909 -14.475   2.923
   16PA   Ch15311628   6.921 -14.233   2.939
   16PA    H15411629   6.905 -14.168   2.853
   16PA    H15511630   6.820 -14.252   2.975
   16PA   Ch15611631   7.023 -14.164   3.030
   16PA    H15711632   7.128 -14.190   3.013
   16PA    H15811633   6.999 -14.181   3.135
   16PA   Ch15911634   7.014 -14.014   3.054
   16PA    H16011635   7.009 -13.974   2.953
   16PA    H16111636   6.927 -13.973   3.104
   16PA   Ch16211637   7.127 -13.957   3.139
   16PA    H16311638   7.220 -13.969   3.084
   16PA    H16411639   7.123 -14.020   3.228
   16PA   Ca16511640   7.105 -13.814   3.184
   16PA    O16611641   7.036 -13.790   3.283
   16PA    N16711642   7.176 -13.719   3.121
   16PA   Hn16811643   7.164 -13.734   3.022
   16PA   Ch16911644   7.291 -13.649   3.173
   16PA    H17011645   7.255 -13.616   3.271
   16PA    H17111646   7.378 -13.712   3.192
   16PA   Ch17211647   7.327 -13.544   3.069
   16PA    H17311648   7.260 -13.495   2.998
   16PA    H17411649   7.384 -13.615   3.009
   16PA   Ch17511650   7.413 -13.430   3.122
   16PA    H17611651   7.355 -13.347   3.163
   16PA    H17711652   7.474 -13.464   3.205
   16PA   Ch17811653   7.520 -13.389   3.022
   16PA    H17911654   7.571 -13.313   3.081
   16PA    H18011655   7.491 -13.342   2.927
   16PA   Ch18111656   7.639 -13.477   2.987
   16PA    H18211657   7.690 -13.472   3.084
   16PA    H18311658   7.608 -13.581   2.973
   16PA   Ch18411659   7.723 -13.435   2.867
   16PA    H18511660   7.788 -13.347   2.871
   16PA    H18611661   7.650 -13.420   2.787
   16PA    N18711662   7.804 -13.547   2.825
   16PA   Hn18811663   7.835 -13.599   2.906
   16PA   Ca18911664   7.901 -13.544   2.734
   16PA    O19011665   7.889 -13.505   2.618
   16PA   Ch19111666   8.041 -13.560   2.792
   16PA    H19211667   8.034 -13.532   2.898
   16PA    H19311668   8.104 -13.477   2.760
   16PA   Ch19411669   8.099 -13.700   2.778
   16PA    H19511670   8.108 -13.697   2.669
   16PA    H19611671   8.017 -13.757   2.822
   16PA   Ch19711672   8.229 -13.739   2.847
   16PA    H19811673   8.316 -13.690   2.806
   16PA    H19911674   8.225 -13.715   2.954
   16PA   Ch20011675   8.268 -13.886   2.841
   16PA    H20111676   8.267 -13.922   2.739
   16PA    H20211677   8.177 -13.934   2.878
   16PA   Ca20311678   8.394 -13.949   2.898
   16PA    O20411679   8.498 -13.935   2.834
   16PA    N20511680   8.420 -13.980   3.026
   16PA   Hn20611681   8.362 -13.911   3.072
   16PA   Ch20711682   8.449 -14.111   3.080
   16PA    H20811683   8.370 -14.185   3.068
   16PA    H20911684   8.522 -14.162   3.017
   16PA   Ch21011685   8.541 -14.106   3.202
   16PA    H21111686   8.526 -14.014   3.258
   16PA    H21211687   8.645 -14.134   3.184
   16PA   Ch21311688   8.514 -14.228   3.289
   16PA    H21411689   8.515 -14.318   3.227
   16PA    H21511690   8.596 -14.244   3.359
   16PA   Ch21611691   8.380 -14.238   3.361
   16PA    H21711692   8.305 -14.271   3.289
   16PA    H21811693   8.343 -14.138   3.382
   16PA   Ch21911694   8.386 -14.318   3.490
   16PA    H22011695   8.434 -14.411   3.460
   16PA    H22111696   8.454 -14.271   3.562
   16PA   Ch22211697   8.260 -14.364   3.563
   16PA    H22311698   8.193 -14.283   3.590
   16PA    H22411699   8.281 -14.403   3.663
   16PA    N22511700   8.185 -14.458   3.482
   16PA   Hn22611701   8.224 -14.551   3.477
   16PA   Ca22711702   8.055 -14.480   3.460
   16PA    O22811703   7.981 -14.397   3.409
   16PA   Ch22911704   8.005 -14.580   3.563
   16PA    H23011705   8.090 -14.637   3.600
   16PA    H23111706   7.963 -14.521   3.645
   16PA   Ch23211707   7.885 -14.668   3.532
   16PA    H23311708   7.918 -14.766   3.496
   16PA    H23411709   7.809 -14.619   3.472
   16PA   Ch23511710   7.786 -14.708   3.641
   16PA    H23611711   7.743 -14.616   3.680
   16PA    H23711712   7.713 -14.778   3.599
   16PA   Ch23811713   7.857 -14.790   3.748
   16PA    H23911714   7.921 -14.720   3.801
   16PA    H24011715   7.934 -14.858   3.712
   16PA   Ca24111716   7.770 -14.850   3.858
   16PA    O24211717   7.832 -14.913   3.944
   16PA    N24311718   7.652 -14.801   3.895
   16PA   Hn24411719   7.595 -14.791   3.812
   16PA   Ch24511720   7.622 -14.699   3.995
   16PA    H24611721   7.687 -14.707   4.082
   16PA    H24711722   7.637 -14.597   3.959
   16PA   Ch24811723   7.483 -14.695   4.055
   16PA    H24911724   7.464 -14.798   4.087
   16PA    H25011725   7.415 -14.671   3.973
   16PA   Ch25111726   7.454 -14.579   4.149
   16PA    H25211727   7.517 -14.566   4.236
   16PA    H25311728   7.466 -14.501   4.074
   16PA   Ch25411729   7.317 -14.592   4.216
   16PA    H25511730   7.339 -14.588   4.322
   16PA    H25611731   7.254 -14.667   4.167
   16PA   Ch25711732   7.228 -14.472   4.185
   16PA    H25811733   7.294 -14.392   4.219
   16PA    H25911734   7.206 -14.461   4.079
   16PA   Ch26011735   7.089 -14.458   4.247
   16PA    H26111736   7.078 -14.544   4.312
   16PA    H26211737   7.025 -14.470   4.160
   16PA    N26311738   7.082 -14.335   4.324
   16PA   Hn26411739   7.146 -14.265   4.290
   16PA   Ca26511740   6.988 -14.250   4.366
   16PA    O26611741   6.916 -14.291   4.457
   16PA   Ch26711742   6.943 -14.120   4.301
   16PA    H26811743   6.896 -14.054   4.374
   16PA    H26911744   7.024 -14.073   4.245
   16PA   Ch27011745   6.842 -14.149   4.191
   16PA    H27111746   6.773 -14.223   4.231
   16PA    H27211747   6.890 -14.195   4.106
   16PA   Ch27311748   6.764 -14.026   4.145
   16PA    H27411749   6.810 -13.936   4.105
   16PA    H27511750   6.712 -14.040   4.050
   16PA   Ch27611751   6.658 -13.967   4.236
   16PA    H27711752   6.654 -13.858   4.222
   16PA    H27811753   6.711 -13.961   4.331
   16PA   Ca27911754   6.516 -14.011   4.270
   16PA    O28011755   6.461 -14.032   4.162
   16PA    N28111756   6.459 -13.936   4.364
   16PA   Hn28211757   6.517 -13.951   4.446
   16PA   Ch28311758   6.367 -13.824   4.361
   16PA    H28411759   6.367 -13.778   4.262
   16PA    H28511760   6.275 -13.870   4.396
   16PA   Ch28611761   6.410 -13.727   4.470
   16PA    H28711762   6.515 -13.705   4.450
   16PA    H28811763   6.414 -13.758   4.574
   16PA   Ch28911764   6.331 -13.596   4.471
   16PA    H29011765   6.261 -13.577   4.389
   16PA    H29111766   6.276 -13.584   4.564
   16PA   Ch29211767   6.425 -13.477   4.486
   16PA    H29311768   6.473 -13.464   4.390
   16PA    H29411769   6.486 -13.486   4.576
   16PA   Ch29511770   6.350 -13.345   4.500
   16PA    H29611771   6.411 -13.266   4.454
   16PA    H29711772   6.255 -13.358   4.448
   16PA   Ch29811773   6.338 -13.279   4.637
   16PA    H29911774   6.423 -13.244   4.695
   16PA    H30011775   6.262 -13.328   4.698
   16PA    N30111776   6.258 -13.160   4.617
   16PA   Hn30211777   6.261 -13.112   4.528
   16PA   Ca30311778   6.212 -13.075   4.709
   16PA    O30411779   6.122 -13.102   4.789
   16PA   Ch30511780   6.279 -12.940   4.736
   16PA    H30611781   6.201 -12.870   4.766
   16PA    H30711782   6.349 -12.964   4.816
   16PA   Ch30811783   6.364 -12.891   4.620
   16PA    H30911784   6.302 -12.907   4.531
   16PA    H31011785   6.445 -12.960   4.596
   16PA   Ch31111786   6.409 -12.747   4.643
   16PA    H31211787   6.438 -12.706   4.546
   16PA    H31311788   6.335 -12.682   4.689
   16PA   Ch31411789   6.512 -12.722   4.753
   16PA    H31511790   6.572 -12.811   4.751
   16PA    H31611791   6.452 -12.724   4.844
   16PA   Ca31711792   6.601 -12.600   4.736
   16PA    O31811793   6.591 -12.523   4.641
   16PA    N31911794   6.719 -12.587   4.797
   16PA   Hn32011795   6.731 -12.683   4.824
   16PA   Ch32111796   6.756 -12.503   4.909
   16PA    H32211797   6.744 -12.398   4.881
   16PA    H32311798   6.685 -12.538   4.984
   16PA   Ch32411799   6.882 -12.544   4.983
   16PA    H32511800   6.948 -12.539   4.896
   16PA    H32611801   6.885 -12.649   5.012
   16PA   Ch32711802   6.939 -12.448   5.086
   16PA    H32811803   7.022 -12.393   5.041
   16PA    H32911804   6.865 -12.376   5.120
   16PA   Ch33011805   6.987 -12.513   5.216
   16PA    H33111806   7.030 -12.613   5.206
   16PA    H33211807   6.901 -12.535   5.280
   16PA   Ch33311808   7.083 -12.428   5.297
   16PA    H33411809   7.168 -12.384   5.244
   16PA    H33511810   7.034 -12.334   5.323
   16PA   Ch33611811   7.127 -12.492   5.428
   16PA    H33711812   7.214 -12.548   5.394
   16PA    H33811813   7.069 -12.565   5.484
   16PA    N33911814   7.183 -12.390   5.515
   16PA   Hn34011815   7.278 -12.374   5.484
   16PA   Ca34111816   7.190 -12.383   5.648
   16PA    O34211817   7.089 -12.370   5.716
   16PA   Ch34311818   7.324 -12.432   5.701
   16PA    H34411819   7.332 -12.537   5.673
   16PA    H34511820   7.402 -12.385   5.642
   16PA   Ch34611821   7.377 -12.431   5.844
   16PA    H34711822   7.357 -12.334   5.890
   16PA    H34811823   7.485 -12.433   5.861
   16PA   Ch34911824   7.310 -12.535   5.933
   16PA    H35011825   7.292 -12.489   6.030
   16PA    H35111826   7.210 -12.570   5.905
   16PA   Ch35211827   7.386 -12.666   5.945
   16PA    H35311828   7.469 -12.625   6.003
   16PA    H35411829   7.423 -12.698   5.847
   16PA   Ca35511830   7.318 -12.783   6.015
   16PA    O35611831   7.323 -12.782   6.137
   16PA    N35711832   7.296 -12.893   5.942
   16PA   Hn35811833   7.280 -12.857   5.849
   16PA   Ch35911834   7.397 -12.997   5.942
   16PA    H36011835   7.500 -12.963   5.954
   16PA    H36111836   7.375 -13.064   6.026
   16PA   Ch36211837   7.383 -13.064   5.806
   16PA    H36311838   7.483 -13.075   5.765
   16PA    H36411839   7.327 -13.000   5.738
   16PA   Ch36511840   7.317 -13.202   5.799
   16PA    H36611841   7.350 -13.264   5.715
   16PA    H36711842   7.347 -13.252   5.891
   16PA   Ch36811843   7.165 -13.203   5.802
   16PA    H36911844   7.126 -13.126   5.735
   16PA    H37011845   7.135 -13.158   5.897
   16PA   Ch37111846   7.107 -13.343   5.789
   16PA    H37211847   7.190 -13.412   5.796
   16PA    H37311848   7.043 -13.382   5.869
   16PA   Ch37411849   7.054 -13.389   5.655
   16PA    H37511850   7.039 -13.497   5.650
   16PA    H37611851   7.125 -13.366   5.574
   16PA    N37711852   6.927 -13.320   5.648
   16PA   Hn37811853   6.859 -13.376   5.698
   16PA   Ca37911854   6.861 -13.304   5.533
   16PA    O38011855   6.897 -13.205   5.470
   16PA   Ch38111856   6.740 -13.387   5.492
   16PA    H38211857   6.657 -13.359   5.557
   16PA    H38311858   6.701 -13.340   5.402
   16PA   Ch38411859   6.760 -13.526   5.432
   16PA    H38511860   6.851 -13.569   5.473
   16PA    H38611861   6.788 -13.506   5.328
   16PA   Ch38711862   6.626 -13.595   5.411
   16PA    H38811863   6.554 -13.513   5.402
   16PA    H38911864   6.633 -13.645   5.315
   16PA   Ch39011865   6.572 -13.678   5.527
   16PA    H39111866   6.628 -13.652   5.617
   16PA    H39211867   6.597 -13.782   5.506
   16PA   Ca39311868   6.426 -13.669   5.570
   16PA    O39411869   6.346 -13.754   5.531
   16PA    N39511870   6.389 -13.552   5.623
   16PA   Hn39611871   6.448 -13.485   5.578
   16PA   Ch39711872   6.348 -13.503   5.753
   16PA    H39811873   6.357 -13.575   5.834
   16PA    H39911874   6.409 -13.413   5.765
   16PA   Ch40011875   6.206 -13.449   5.739
   16PA    H40111876   6.168 -13.490   5.832
   16PA    H40211877   6.150 -13.498   5.659
   16PA   Ch40311878   6.178 -13.299   5.743
   16PA    H40411879   6.149 -13.274   5.845
   16PA    H40511880   6.277 -13.253   5.735
   16PA   Ch40611881   6.075 -13.235   5.651
   16PA    H40711882   6.007 -13.190   5.723
   16PA    H40811883   6.009 -13.302   5.595
   16PA   Ch40911884   6.123 -13.119   5.566
   16PA    H41011885   6.210 -13.064   5.603
   16PA    H41111886   6.183 -13.180   5.498
   16PA   Ch41211887   6.011 -13.044   5.496
   16PA    H41311888   5.907 -13.034   5.526
   16PA    H41411889   5.996 -13.104   5.405
   16PA    N41511890   6.055 -12.911   5.460
   16PA   Hn41611891   6.063 -12.846   5.538
   16PA   Ca41711892   6.033 -12.856   5.341
   16PA    O41811893   6.091 -12.909   5.247
   16PA   Ch41911894   5.927 -12.750   5.311
   16PA    H42011895   5.860 -12.770   5.227
   16PA    H42111896   5.868 -12.758   5.401
   16PA   Ch42211897   5.968 -12.604   5.296
   16PA    H42311898   6.016 -12.557   5.382
   16PA    H42411899   5.867 -12.567   5.273
   16PA   Ch42511900   6.064 -12.579   5.180
   16PA    H42611901   6.047 -12.650   5.099
   16PA    H42711902   6.019 -12.498   5.122
   16PA   Ch42811903   6.212 -12.580   5.215
   16PA    H42911904   6.273 -12.669   5.199
   16PA    H43011905   6.232 -12.585   5.322
   16PA   Ca43111906   6.301 -12.461   5.182
   16PA    O43211907   6.393 -12.419   5.252
   16PA    N43311908   6.265 -12.388   5.077
   16PA   Hn43411909   6.172 -12.354   5.098
   16PA   Ch43511910   6.334 -12.399   4.950
   16PA    H43611911   6.439 -12.397   4.980
   16PA    H43711912   6.342 -12.498   4.905
   16PA   Ch43811913   6.315 -12.283   4.853
   16PA    H43911914   6.370 -12.206   4.908
   16PA    H44011915   6.207 -12.266   4.855
   16PA   Ch44111916   6.359 -12.292   4.708
   16PA    H44211917   6.468 -12.285   4.716
   16PA    H44311918   6.328 -12.384   4.657
   16PA   Ch44411919   6.316 -12.172   4.625
   16PA    H44511920   6.304 -12.079   4.681
   16PA    H44611921   6.215 -12.200   4.595
   16PA   Ch44711922   6.395 -12.147   4.498
   16PA    H44811923   6.486 -12.127   4.554
   16PA    H44911924   6.420 -12.251   4.477
   16PA   Ch45011925   6.355 -12.047   4.389
   16PA    H45111926   6.426 -11.968   4.413
   16PA    H45211927   6.249 -12.024   4.398
   16PA    N45311928   6.401 -12.120   4.272
   16PA   Hn45411929   6.367 -12.214   4.260
   16PA   Ca45511930   6.463 -12.074   4.163
   16PA    O45611931   6.413 -11.985   4.095
   16PA   Ch45711932   6.614 -12.093   4.152
   16PA    H45811933   6.668 -11.999   4.163
   16PA    H45911934   6.651 -12.149   4.237
   16PA   Ch46011935   6.660 -12.138   4.014
   16PA    H46111936   6.615 -12.069   3.944
   16PA    H46211937   6.611 -12.233   3.993
   16PA   Ch46311938   6.810 -12.157   4.000
   16PA    H46411939   6.835 -12.057   4.036
   16PA    H46511940   6.830 -12.242   4.066
   16PA   Ch46611941   6.860 -12.177   3.857
   16PA    H46711942   6.871 -12.080   3.807
   16PA    H46811943   6.784 -12.233   3.803
   16PA   Ca46911944   7.002 -12.228   3.838
   16PA    O47011945   7.094 -12.184   3.907
   16PA    N47111946   7.025 -12.314   3.739
   16PA   Hn47211947   6.959 -12.385   3.769
   16PA   Ch47311948   7.039 -12.264   3.604
   16PA    H47411949   6.942 -12.247   3.556
   16PA    H47511950   7.102 -12.175   3.601
   16PA   Ch47611951   7.130 -12.356   3.524
   16PA    H47711952   7.059 -12.434   3.496
   16PA    H47811953   7.194 -12.402   3.599
   16PA   Ch47911954   7.224 -12.296   3.419
   16PA    H48011955   7.246 -12.380   3.353
   16PA    H48111956   7.157 -12.246   3.348
   16PA   Ch48211957   7.343 -12.205   3.442
   16PA    H48311958   7.394 -12.234   3.534
   16PA    H48411959   7.314 -12.102   3.463
   16PA   Ch48511960   7.453 -12.211   3.336
   16PA    H48611961   7.450 -12.300   3.273
   16PA    H48711962   7.423 -12.124   3.278
   16PA   Ch48811963   7.588 -12.166   3.391
   16PA    H48911964   7.562 -12.129   3.490
   16PA    H49011965   7.612 -12.071   3.342
   16PA    N49111966   7.703 -12.254   3.386
   16PA   Hn49211967   7.779 -12.218   3.330
   16PA   Ca49311968   7.765 -12.312   3.488
   16PA    O49411969   7.722 -12.415   3.541
   16PA   Ch49511970   7.902 -12.261   3.530
   16PA    H49611971   7.959 -12.350   3.557
   16PA    H49711972   7.963 -12.234   3.444
   16PA   Ch49811973   7.928 -12.151   3.633
   16PA    H49911974   7.873 -12.063   3.600
   16PA    H50011975   8.036 -12.135   3.623
   16PA   Ch50111976   7.948 -12.185   3.780
   16PA    H50211977   7.896 -12.275   3.814
   16PA    H50311978   8.048 -12.224   3.797
   16PA   Ch50411979   7.927 -12.066   3.873
   16PA    H50511980   7.823 -12.043   3.894
   16PA    H50611981   7.974 -11.978   3.830
   16PA   Ca50711982   7.973 -12.071   4.018
   16PA    O50811983   7.935 -12.162   4.090
   16PA    N50911984   8.066 -11.984   4.057
   16PA   Hn51011985   8.030 -11.889   4.056
   16PA   Ch51111986   8.204 -12.026   4.072
   16PA    H51211987   8.207 -12.128   4.110
   16PA    H51311988   8.239 -12.066   3.976
   16PA   Ch51411989   8.297 -11.918   4.126
   16PA    H51511990   8.299 -11.898   4.233
   16PA    H51611991   8.277 -11.830   4.066
   16PA   Ch51711992   8.447 -11.942   4.120
   16PA    H51811993   8.451 -12.051   4.119
   16PA    H51911994   8.482 -11.925   4.018
   16PA   Ch52011995   8.538 -11.886   4.229
   16PA    H52111996   8.517 -11.941   4.321
   16PA    H52211997   8.554 -11.779   4.220
   16PA   Ch52311998   8.687 -11.909   4.205
   16PA    H52411999   8.710 -11.862   4.109
   16PA    H52512000   8.717 -11.857   4.297
   16PA   Ch52612001   8.737 -12.052   4.201
   16PA    H52712002   8.844 -12.030   4.201
   16PA    H52812003   8.711 -12.124   4.123
   16PA    N52912004   8.696 -12.116   4.324
   16PA   Hn53012005   8.601 -12.150   4.324
   16PA   Ca53112006   8.779 -12.156   4.421
   16PA    O53212007   8.820 -12.074   4.502
   16PA   Ch53312008   8.817 -12.303   4.420
   16PA    H53412009   8.842 -12.327   4.523
   16PA    H53512010   8.737 -12.369   4.384
   16PA   Ch53612011   8.946 -12.329   4.343
   16PA    H53712012   9.008 -12.392   4.407
   16PA    H53812013   9.002 -12.241   4.313
   16PA   Ch53912014   8.929 -12.406   4.213
   16PA    H54012015   8.851 -12.361   4.151
   16PA    H54112016   9.027 -12.400   4.165
   16PA   Ch54212017   8.896 -12.554   4.231
   16PA    H54312018   8.789 -12.566   4.247
   16PA    H54412019   8.933 -12.614   4.314
   16PA   Ca54512020   8.931 -12.647   4.116
   16PA    O54612021   8.843 -12.650   4.031
   16PA    N54712022   9.058 -12.651   4.073
   16PA   Hn54812023   9.104 -12.661   4.162
   16PA   Ch54912024   9.148 -12.593   3.976
   16PA    H55012025   9.095 -12.511   3.925
   16PA    H55112026   9.214 -12.518   4.020
   16PA   Ch55212027   9.247 -12.694   3.920
   16PA    H55312028   9.214 -12.796   3.938
   16PA    H55412029   9.339 -12.654   3.965
   16PA   Ch55512030   9.265 -12.656   3.774
   16PA    H55612031   9.177 -12.625   3.718
   16PA    H55712032   9.336 -12.573   3.773
   16PA   Ch55812033   9.328 -12.757   3.679
   16PA    H55912034   9.244 -12.816   3.640
   16PA    H56012035   9.413 -12.820   3.705
   16PA   Ch56112036   9.382 -12.685   3.557
   16PA    H56212037   9.307 -12.627   3.502
   16PA    H56312038   9.473 -12.632   3.586
   16PA   Ch56412039   9.416 -12.783   3.445
   16PA    H56512040   9.325 -12.836   3.417
   16PA    H56612041   9.491 -12.850   3.487
   16PA    N56712042   9.481 -12.711   3.337
   16PA   Hn56812043   9.487 -12.611   3.340
   16PA   Ca56912044   9.511 -12.766   3.219
   16PA    O57012045   9.617 -12.826   3.201
   16PA   Ch57112046   9.415 -12.760   3.102
   16PA    H57212047   9.341 -12.694   3.148
   16PA    H57312048   9.473 -12.694   3.038
   16PA   Ch57412049   9.342 -12.885   3.053
   16PA    H57512050   9.274 -12.905   3.137
   16PA    H57612051   9.419 -12.962   3.042
   16PA   Ch57712052   9.246 -12.857   2.938
   16PA    H57812053   9.157 -12.812   2.983
   16PA    H57912054   9.286 -12.787   2.864
   16PA   Ch58012055   9.201 -12.992   2.885
   16PA    H58112056   9.099 -12.973   2.852
   16PA    H58212057   9.179 -13.068   2.959
   16PA   Ca58312058   9.284 -13.054   2.773
   16PA    O58412059   9.344 -12.989   2.688
   16PA    N58512060   9.266 -13.186   2.771
   16PA   Hn58612061   9.285 -13.217   2.865
   16PA   Ch58712062   9.174 -13.247   2.676
   16PA    H58812063   9.095 -13.173   2.685
   16PA    H58912064   9.212 -13.256   2.574
   16PA   Ch59012065   9.112 -13.375   2.729
   16PA    H59112066   9.089 -13.378   2.836
   16PA    H59212067   9.194 -13.443   2.706
   16PA   Ch59312068   8.979 -13.414   2.666
   16PA    H59412069   8.917 -13.339   2.715
   16PA    H59512070   8.964 -13.407   2.558
   16PA   Ch59612071   8.941 -13.554   2.713
   16PA    H59712072   8.974 -13.576   2.815
   16PA    H59812073   8.978 -13.633   2.648
   16PA   Ch59912074   8.791 -13.580   2.725
   16PA    H60012075   8.782 -13.663   2.794
   16PA    H60112076   8.739 -13.508   2.789
   16PA   Ch60212077   8.705 -13.588   2.600
   16PA    H60312078   8.762 -13.624   2.515
   16PA    H60412079   8.660 -13.489   2.588
   16PA    N60512080   8.604 -13.692   2.610
   16PA   Hn60612081   8.639 -13.785   2.627
   16PA   Ca60712082   8.475 -13.670   2.581
   16PA    O60812083   8.405 -13.585   2.635
   16PA   Ch60912084   8.460 -13.704   2.434
   16PA    H61012085   8.520 -13.793   2.414
   16PA    H61112086   8.353 -13.716   2.416
   16PA   Ch61212087   8.499 -13.601   2.329
   16PA    H61312088   8.592 -13.638   2.285
   16PA    H61412089   8.505 -13.505   2.379
   16PA   Ch61512090   8.409 -13.564   2.212
   16PA    H61612091   8.385 -13.647   2.145
   16PA    H61712092   8.310 -13.546   2.254
   16PA   Ch61812093   8.445 -13.469   2.098
   16PA    H61912094   8.500 -13.529   2.025
   16PA    H62012095   8.524 -13.398   2.125
   16PA   Ca62112096   8.345 -13.381   2.024
   16PA    O62212097   8.378 -13.266   1.996
   16PA    N62312098   8.257 -13.444   1.947
   16PA   Hn62412099   8.231 -13.525   2.002
   16PA   Ch62512100   8.251 -13.472   1.805
   16PA    H62612101   8.172 -13.412   1.760
   16PA    H62712102   8.335 -13.428   1.750
   16PA   Ch62812103   8.194 -13.610   1.778
   16PA    H62912104   8.161 -13.610   1.673
   16PA    H63012105   8.100 -13.617   1.834
   16PA   Ch63112106   8.287 -13.730   1.794
   16PA    H63212107   8.305 -13.783   1.701
   16PA    H63312108   8.390 -13.703   1.816
   16PA   Ch63412109   8.260 -13.836   1.899
   16PA    H63512110   8.260 -13.794   2.000
   16PA    H63612111   8.356 -13.888   1.891
   16PA   Ch63712112   8.153 -13.941   1.871
   16PA    H63812113   8.058 -13.888   1.866
   16PA    H63912114   8.170 -13.974   1.768
   16PA   Ch64012115   8.153 -14.057   1.969
   16PA    H64112116   8.138 -14.030   2.074
   16PA    H64212117   8.248 -14.108   1.952
   16PA    N64312118   8.050 -14.156   1.942
   16PA   Hn64412119   8.069 -14.235   1.881
   16PA   Ca64512120   7.926 -14.165   1.990
   16PA    O64612121   7.915 -14.166   2.112
   16PA   Ch64712122   7.804 -14.148   1.902
   16PA    H64812123   7.749 -14.079   1.965
   16PA    H64912124   7.828 -14.147   1.796
   16PA   Ch65012125   7.693 -14.253   1.908
   16PA    H65112126   7.645 -14.261   2.006
   16PA    H65212127   7.729 -14.355   1.899
   16PA   Ch65312128   7.579 -14.232   1.809
   16PA    H65412129   7.546 -14.129   1.818
   16PA    H65512130   7.608 -14.238   1.704
   16PA   Ch65612131   7.460 -14.323   1.836
   16PA    H65712132   7.365 -14.270   1.826
   16PA    H65812133   7.455 -14.354   1.941
   16PA   Ca65912134   7.473 -14.439   1.739
   16PA    O66012135   7.523 -14.543   1.781
   16PA    N66112136   7.411 -14.426   1.621
   16PA   Hn66212137   7.418 -14.327   1.602
   16PA   Ch66312138   7.288 -14.489   1.579
   16PA    H66412139   7.297 -14.592   1.613
   16PA    H66512140   7.202 -14.445   1.631
   16PA   Ch66612141   7.263 -14.457   1.432
   16PA    H66712142   7.363 -14.424   1.402
   16PA    H66812143   7.195 -14.376   1.402
   16PA   Ch66912144   7.208 -14.569   1.346
   16PA    H67012145   7.287 -14.643   1.336
   16PA    H67112146   7.108 -14.586   1.383
   16PA   Ch67212147   7.178 -14.530   1.202
   16PA    H67312148   7.267 -14.486   1.156
   16PA    H67412149   7.097 -14.457   1.207
   16PA   Ch67512150   7.159 -14.640   1.098
   16PA    H67612151   7.145 -14.565   1.019
   16PA    H67712152   7.255 -14.692   1.098
   16PA   Ch67812153   7.045 -14.737   1.119
   16PA    H67912154   7.033 -14.754   1.226
   16PA    H68012155   7.081 -14.826   1.067
   16PA    N68112156   6.920 -14.710   1.051
   16PA   Hn68212157   6.924 -14.704   0.950
   16PA   Ca68312158   6.790 -14.722   1.082
   16PA    O68412159   6.729 -14.625   1.126
   16PA   Ch68512160   6.725 -14.845   1.020
   16PA    H68612161   6.619 -14.827   1.003
   16PA    H68712162   6.762 -14.844   0.917
   16PA   Ch68812163   6.735 -14.978   1.094
   16PA    H68912164   6.645 -15.030   1.128
   16PA    H69012165   6.777 -14.954   1.191
   16PA   Ch69112166   6.825 -15.090   1.044
   16PA    H69212167   6.765 -15.126   0.960
   16PA    H69312168   6.922 -15.044   1.026
   16PA   Ch69412169   6.831 -15.210   1.138
   16PA    H69512170   6.752 -15.225   1.212
   16PA    H69612171   6.911 -15.198   1.211
   16PA   Ca69712172   6.855 -15.340   1.063
   16PA    O69812173   6.762 -15.408   1.020
   16PA    N69912174   6.982 -15.375   1.046
   16PA   Hn70012175   7.050 -15.302   1.029
   16PA   Ch70112176   7.042 -15.488   1.115
   16PA    H70212177   6.982 -15.569   1.156
   16PA    H70312178   7.094 -15.544   1.037
   16PA   Ch70412179   7.146 -15.461   1.222
   16PA    H70512180   7.234 -15.411   1.181
   16PA    H70612181   7.177 -15.557   1.264
   16PA   Ch70712182   7.109 -15.366   1.336
   16PA    H70812183   7.204 -15.366   1.390
   16PA    H70912184   7.083 -15.264   1.309
   16PA   Ch71012185   7.005 -15.413   1.437
   16PA    H71112186   7.033 -15.509   1.479
   16PA    H71212187   6.916 -15.439   1.381
   16PA   Ch71312188   6.963 -15.327   1.556
   16PA    H71412189   6.956 -15.225   1.518
   16PA    H71512190   6.859 -15.340   1.585
   16PA   Ch71612191   7.032 -15.321   1.691
   16PA    H71712192   7.135 -15.358   1.687
   16PA    H71812193   6.975 -15.382   1.761
   16PA    N71912194   7.032 -15.186   1.744
   16PA   Hn72012195   6.962 -15.128   1.699
   16PA   Ca72112196   7.109 -15.115   1.827
   16PA    O72212197   7.207 -15.053   1.785
   16PA   Ch72312198   7.077 -15.088   1.973
   16PA    H72412199   7.173 -15.110   2.019
   16PA    H72512200   7.068 -14.979   1.977
   16PA   Ch72612201   6.959 -15.147   2.049
   16PA    H72712202   6.997 -15.247   2.029
   16PA    H72812203   6.863 -15.129   2.001
   16PA   Ch72912204   6.951 -15.119   2.199
   16PA    H73012205   6.927 -15.013   2.207
   16PA    H73112206   6.853 -15.147   2.237
   16PA   Ch73212207   7.057 -15.185   2.287
   16PA    H73312208   7.156 -15.179   2.241
   16PA    H73412209   7.063 -15.292   2.306
   16PA   Ca73512210   7.052 -15.124   2.426
   16PA    O73612211   6.947 -15.113   2.489
   16PA    N73712212   7.166 -15.067   2.467
   16PA   Hn73812213   7.223 -15.032   2.391
   16PA   Ch73912214   7.239 -15.103   2.587
   16PA    H74012215   7.176 -15.076   2.672
   16PA    H74112216   7.239 -15.211   2.605
   16PA   Ch74212217   7.369 -15.025   2.595
   16PA    H74312218   7.441 -15.063   2.522
   16PA    H74412219   7.423 -15.047   2.687
   16PA   Ch74512220   7.369 -14.873   2.606
   16PA    H74612221   7.308 -14.845   2.521
   16PA    H74712222   7.321 -14.835   2.696
   16PA   Ch74812223   7.510 -14.817   2.589
   16PA    H74912224   7.556 -14.865   2.502
   16PA    H75012225   7.583 -14.858   2.659
   16PA   Ch75112226   7.528 -14.666   2.582
   16PA    H75212227   7.634 -14.642   2.596
   16PA    H75312228   7.486 -14.613   2.496
   16PA   Ch75412229   7.503 -14.601   2.718
   16PA    H75512230   7.577 -14.610   2.797
   16PA    H75612231   7.407 -14.637   2.757
   16PA    N75712232   7.498 -14.457   2.704
   16PA   Hn75812233   7.541 -14.410   2.626
   16PA   Ca75912234   7.500 -14.370   2.805
   16PA    O76012235   7.398 -14.313   2.845
   16PA   Ch76112236   7.624 -14.291   2.845
   16PA    H76212237   7.617 -14.257   2.948
   16PA    H76312238   7.709 -14.349   2.807
   16PA    H76412239   5.485 -15.683  -0.891
   16PA    H76512240   7.612 -14.203   2.781
   17PA     Ch112241   0.622  10.197   2.692
   17PA      H212242   0.534  10.176   2.632
   17PA      H312243   0.601  10.152   2.789
   17PA     Ch412244   0.660  10.341   2.722
   17PA      H512245   0.736  10.338   2.799
   17PA      H612246   0.585  10.381   2.790
   17PA     Ch712247   0.701  10.426   2.602
   17PA      H812248   0.613  10.426   2.538
   17PA      H912249   0.717  10.523   2.648
   17PA    Ch1012250   0.813  10.375   2.512
   17PA     H1112251   0.855  10.279   2.545
   17PA     H1212252   0.884  10.458   2.518
   17PA    Ca1312253   0.793  10.341   2.365
   17PA     O1412254   0.730  10.242   2.331
   17PA     N1512255   0.786  10.441   2.277
   17PA    Hn1612256   0.703  10.485   2.315
   17PA    Ch1712257   0.892  10.520   2.218
   17PA     H1812258   0.940  10.576   2.298
   17PA     H1912259   0.967  10.459   2.168
   17PA    Ch2012260   0.817  10.612   2.122
   17PA     H2112261   0.855  10.709   2.151
   17PA     H2212262   0.709  10.623   2.136
   17PA    Ch2312263   0.833  10.559   1.980
   17PA     H2412264   0.940  10.564   1.959
   17PA     H2512265   0.804  10.454   1.973
   17PA    Ch2612266   0.777  10.637   1.862
   17PA     H2712267   0.671  10.616   1.860
   17PA     H2812268   0.819  10.602   1.767
   17PA    Ch2912269   0.776  10.789   1.867
   17PA     H3012270   0.844  10.847   1.930
   17PA     H3112271   0.834  10.822   1.781
   17PA    Ch3212272   0.640  10.857   1.881
   17PA     H3312273   0.563  10.805   1.822
   17PA     H3412274   0.645  10.956   1.835
   17PA     N3512275   0.588  10.848   2.016
   17PA    Hn3612276   0.636  10.868   2.103
   17PA    Ca3712277   0.460  10.853   2.050
   17PA     O3812278   0.432  10.748   2.108
   17PA    Ch3912279   0.424  10.990   2.105
   17PA     H4012280   0.495  11.011   2.185
   17PA     H4112281   0.447  11.059   2.023
   17PA    Ch4212282   0.281  11.013   2.153
   17PA     H4312283   0.249  10.931   2.217
   17PA     H4412284   0.210  11.013   2.071
   17PA    Ch4512285   0.272  11.139   2.239
   17PA     H4612286   0.312  11.115   2.337
   17PA     H4712287   0.298  11.231   2.187
   17PA    Ch4812288   0.134  11.186   2.281
   17PA     H4912289   0.125  11.176   2.389
   17PA     H5012290   0.053  11.127   2.237
   17PA    Ca5112291   0.102  11.335   2.282
   17PA     O5212292   0.134  11.410   2.374
   17PA     N5312293   0.035  11.380   2.176
   17PA    Hn5412294  -0.062  11.395   2.202
   17PA    Ch5512295   0.085  11.426   2.048
   17PA     H5612296   0.128  11.525   2.063
   17PA     H5712297   0.167  11.358   2.026
   17PA    Ch5812298  -0.016  11.420   1.934
   17PA     H5912299  -0.117  11.429   1.975
   17PA     H6012300  -0.012  11.329   1.875
   17PA    Ch6112301   0.000  11.539   1.842
   17PA     H6212302   0.027  11.634   1.890
   17PA     H6312303   0.082  11.519   1.773
   17PA    Ch6412304  -0.124  11.573   1.761
   17PA     H6512305  -0.169  11.482   1.722
   17PA     H6612306  -0.113  11.616   1.662
   17PA    Ch6712307  -0.234  11.641   1.842
   17PA     H6812308  -0.261  11.583   1.931
   17PA     H6912309  -0.193  11.733   1.884
   17PA    Ch7012310  -0.360  11.666   1.762
   17PA     H7112311  -0.384  11.579   1.701
   17PA     H7212312  -0.346  11.746   1.689
   17PA     N7312313  -0.475  11.685   1.848
   17PA    Hn7412314  -0.450  11.713   1.942
   17PA    Ca7512315  -0.561  11.786   1.830
   17PA     O7612316  -0.620  11.799   1.723
   17PA    Ch7712317  -0.569  11.888   1.943
   17PA     H7812318  -0.486  11.911   2.010
   17PA     H7912319  -0.583  11.981   1.888
   17PA    Ch8012320  -0.685  11.888   2.042
   17PA     H8112321  -0.675  11.981   2.099
   17PA     H8212322  -0.668  11.819   2.126
   17PA    Ch8312323  -0.828  11.883   1.992
   17PA     H8412324  -0.848  11.785   1.947
   17PA     H8512325  -0.883  11.876   2.086
   17PA    Ch8612326  -0.884  11.996   1.907
   17PA     H8712327  -0.791  12.053   1.899
   17PA     H8812328  -0.943  12.065   1.966
   17PA    Ca8912329  -0.954  11.993   1.772
   17PA     O9012330  -1.070  12.028   1.753
   17PA     N9112331  -0.882  11.979   1.660
   17PA    Hn9212332  -0.811  11.912   1.688
   17PA    Ch9312333  -0.846  12.076   1.559
   17PA     H9412334  -0.945  12.121   1.547
   17PA     H9512335  -0.779  12.157   1.588
   17PA    Ch9612336  -0.806  12.002   1.432
   17PA     H9712337  -0.875  11.917   1.425
   17PA     H9812338  -0.700  11.982   1.445
   17PA    Ch9912339  -0.821  12.101   1.318
   17PA    H10012340  -0.926  12.118   1.343
   17PA    H10112341  -0.754  12.188   1.328
   17PA   Ch10212342  -0.806  12.045   1.177
   17PA    H10312343  -0.855  12.126   1.124
   17PA    H10412344  -0.871  11.957   1.166
   17PA   Ch10512345  -0.662  12.010   1.146
   17PA    H10612346  -0.603  12.096   1.177
   17PA    H10712347  -0.639  11.929   1.215
   17PA   Ch10812348  -0.653  11.972   0.999
   17PA    H10912349  -0.605  12.062   0.961
   17PA    H11012350  -0.743  11.995   0.941
   17PA    N11112351  -0.577  11.855   0.958
   17PA   Hn11212352  -0.490  11.836   1.006
   17PA   Ca11312353  -0.631  11.733   0.946
   17PA    O11412354  -0.690  11.703   0.842
   17PA   Ch11512355  -0.602  11.625   1.050
   17PA    H11612356  -0.617  11.526   1.008
   17PA    H11712357  -0.496  11.610   1.032
   17PA   Ch11812358  -0.631  11.646   1.198
   17PA    H11912359  -0.733  11.683   1.185
   17PA    H12012360  -0.569  11.734   1.217
   17PA   Ch12112361  -0.596  11.532   1.293
   17PA    H12212362  -0.668  11.456   1.262
   17PA    H12312363  -0.498  11.489   1.271
   17PA   Ch12412364  -0.590  11.589   1.434
   17PA    H12512365  -0.610  11.695   1.443
   17PA    H12612366  -0.487  11.591   1.471
   17PA   Ca12712367  -0.686  11.542   1.543
   17PA    O12812368  -0.657  11.446   1.613
   17PA    N12912369  -0.807  11.599   1.547
   17PA   Hn13012370  -0.809  11.700   1.545
   17PA   Ch13112371  -0.937  11.541   1.520
   17PA    H13212372  -0.937  11.523   1.413
   17PA    H13312373  -0.946  11.444   1.570
   17PA   Ch13412374  -1.047  11.629   1.578
   17PA    H13512375  -1.018  11.708   1.646
   17PA    H13612376  -1.121  11.576   1.639
   17PA   Ch13712377  -1.136  11.695   1.474
   17PA    H13812378  -1.094  11.700   1.373
   17PA    H13912379  -1.225  11.634   1.456
   17PA   Ch14012380  -1.176  11.840   1.494
   17PA    H14112381  -1.091  11.904   1.520
   17PA    H14212382  -1.235  11.862   1.583
   17PA   Ch14312383  -1.257  11.902   1.381
   17PA    H14412384  -1.228  11.853   1.288
   17PA    H14512385  -1.358  11.864   1.398
   17PA   Ch14612386  -1.251  12.054   1.388
   17PA    H14712387  -1.164  12.089   1.333
   17PA    H14812388  -1.240  12.099   1.487
   17PA    N14912389  -1.364  12.109   1.316
   17PA   Hn15012390  -1.452  12.064   1.341
   17PA   Ca15112391  -1.380  12.182   1.205
   17PA    O15212392  -1.328  12.291   1.182
   17PA   Ch15312393  -1.436  12.109   1.085
   17PA    H15412394  -1.366  12.137   1.006
   17PA    H15512395  -1.412  12.002   1.092
   17PA   Ch15612396  -1.582  12.144   1.060
   17PA    H15712397  -1.602  12.246   1.096
   17PA    H15812398  -1.634  12.083   1.134
   17PA   Ch15912399  -1.623  12.107   0.918
   17PA    H16012400  -1.587  12.009   0.888
   17PA    H16112401  -1.729  12.102   0.893
   17PA   Ch16212402  -1.565  12.190   0.805
   17PA    H16312403  -1.473  12.134   0.787
   17PA    H16412404  -1.525  12.278   0.856
   17PA   Ca16512405  -1.650  12.267   0.705
   17PA    O16612406  -1.678  12.385   0.725
   17PA    N16712407  -1.642  12.219   0.580
   17PA   Hn16812408  -1.562  12.162   0.601
   17PA   Ch16912409  -1.737  12.170   0.482
   17PA    H17012410  -1.830  12.219   0.512
   17PA    H17112411  -1.718  12.208   0.382
   17PA   Ch17212412  -1.744  12.018   0.496
   17PA    H17312413  -1.640  11.985   0.502
   17PA    H17412414  -1.772  11.988   0.395
   17PA   Ch17512415  -1.824  11.961   0.613
   17PA    H17612416  -1.793  11.861   0.645
   17PA    H17712417  -1.801  12.024   0.698
   17PA   Ch17812418  -1.975  11.980   0.611
   17PA    H17912419  -2.013  11.929   0.522
   17PA    H18012420  -1.993  12.080   0.572
   17PA   Ch18112421  -2.052  11.974   0.742
   17PA    H18212422  -2.037  12.058   0.809
   17PA    H18312423  -2.156  11.976   0.709
   17PA   Ch18412424  -2.023  11.857   0.834
   17PA    H18512425  -1.926  11.888   0.875
   17PA    H18612426  -2.009  11.766   0.775
   17PA    N18712427  -2.131  11.849   0.930
   17PA   Hn18812428  -2.198  11.918   0.898
   17PA   Ca18912429  -2.130  11.787   1.048
   17PA    O19012430  -2.116  11.666   1.032
   17PA   Ch19112431  -2.152  11.867   1.176
   17PA    H19212432  -2.233  11.937   1.152
   17PA    H19312433  -2.187  11.810   1.261
   17PA   Ch19412434  -2.047  11.961   1.234
   17PA    H19512435  -2.080  11.972   1.338
   17PA    H19612436  -2.048  12.052   1.174
   17PA   Ch19712437  -1.910  11.896   1.244
   17PA    H19812438  -1.901  11.790   1.269
   17PA    H19912439  -1.861  11.927   1.151
   17PA   Ch20012440  -1.826  11.967   1.349
   17PA    H20112441  -1.880  11.943   1.441
   17PA    H20212442  -1.852  12.071   1.331
   17PA   Ca20312443  -1.681  11.938   1.385
   17PA    O20412444  -1.620  12.031   1.438
   17PA    N20512445  -1.665  11.814   1.430
   17PA   Hn20612446  -1.707  11.760   1.355
   17PA   Ch20712447  -1.635  11.770   1.565
   17PA    H20812448  -1.597  11.858   1.617
   17PA    H20912449  -1.731  11.742   1.609
   17PA   Ch21012450  -1.525  11.665   1.572
   17PA    H21112451  -1.434  11.718   1.600
   17PA    H21212452  -1.521  11.598   1.486
   17PA   Ch21312453  -1.548  11.557   1.676
   17PA    H21412454  -1.530  11.592   1.778
   17PA    H21512455  -1.653  11.527   1.673
   17PA   Ch21612456  -1.461  11.432   1.675
   17PA    H21712457  -1.358  11.458   1.649
   17PA    H21812458  -1.497  11.378   1.588
   17PA   Ch21912459  -1.458  11.357   1.807
   17PA    H22012460  -1.374  11.364   1.877
   17PA    H22112461  -1.543  11.394   1.864
   17PA   Ch22212462  -1.485  11.209   1.782
   17PA    H22312463  -1.388  11.160   1.774
   17PA    H22412464  -1.557  11.179   1.706
   17PA    N22512465  -1.535  11.148   1.903
   17PA   Hn22612466  -1.635  11.158   1.914
   17PA   Ca22712467  -1.490  11.036   1.961
   17PA    O22812468  -1.380  11.033   2.014
   17PA   Ch22912469  -1.560  10.902   1.940
   17PA    H23012470  -1.542  10.836   2.024
   17PA    H23112471  -1.669  10.898   1.945
   17PA   Ch23212472  -1.523  10.816   1.820
   17PA    H23312473  -1.547  10.891   1.745
   17PA    H23412474  -1.599  10.737   1.818
   17PA   Ch23512475  -1.393  10.738   1.800
   17PA    H23612476  -1.351  10.728   1.700
   17PA    H23712477  -1.321  10.808   1.841
   17PA   Ch23812478  -1.367  10.603   1.864
   17PA    H23912479  -1.424  10.590   1.956
   17PA    H24012480  -1.261  10.596   1.890
   17PA   Ca24112481  -1.400  10.486   1.772
   17PA    O24212482  -1.518  10.464   1.746
   17PA    N24312483  -1.294  10.413   1.736
   17PA   Hn24412484  -1.213  10.469   1.717
   17PA   Ch24512485  -1.260  10.281   1.786
   17PA    H24612486  -1.172  10.280   1.850
   17PA    H24712487  -1.348  10.237   1.834
   17PA   Ch24812488  -1.224  10.201   1.662
   17PA    H24912489  -1.308  10.228   1.598
   17PA    H25012490  -1.244  10.101   1.699
   17PA   Ch25112491  -1.086  10.230   1.603
   17PA    H25212492  -1.071  10.324   1.551
   17PA    H25312493  -1.003  10.238   1.674
   17PA   Ch25412494  -1.028  10.112   1.525
   17PA    H25512495  -1.109  10.076   1.462
   17PA    H25612496  -1.031  10.024   1.591
   17PA   Ch25712497  -0.892  10.132   1.459
   17PA    H25812498  -0.928  10.164   1.361
   17PA    H25912499  -0.830  10.178   1.536
   17PA   Ch26012500  -0.829  10.002   1.412
   17PA    H26112501  -0.868   9.937   1.333
   17PA    H26212502  -0.812   9.931   1.493
   17PA    N26312503  -0.701  10.041   1.357
   17PA   Hn26412504  -0.709  10.105   1.279
   17PA   Ca26512505  -0.591   9.967   1.343
   17PA    O26612506  -0.539   9.919   1.443
   17PA   Ch26712507  -0.543   9.926   1.204
   17PA    H26812508  -0.495   9.829   1.206
   17PA    H26912509  -0.628   9.925   1.136
   17PA   Ch27012510  -0.441  10.033   1.167
   17PA    H27112511  -0.452  10.126   1.224
   17PA    H27212512  -0.483  10.051   1.068
   17PA   Ch27312513  -0.296   9.988   1.152
   17PA    H27412514  -0.268  10.006   1.256
   17PA    H27512515  -0.297   9.887   1.111
   17PA   Ch27612516  -0.208  10.089   1.080
   17PA    H27712517  -0.220  10.187   1.127
   17PA    H27812518  -0.239  10.110   0.977
   17PA   Ca27912519  -0.057  10.074   1.068
   17PA    O28012520   0.004  10.172   1.025
   17PA    N28112521  -0.004   9.957   1.034
   17PA   Hn28212522  -0.015   9.936   0.936
   17PA   Ch28312523   0.050   9.839   1.099
   17PA    H28412524  -0.030   9.814   1.169
   17PA    H28512525   0.072   9.763   1.024
   17PA   Ch28612526   0.183   9.881   1.159
   17PA    H28712527   0.210   9.982   1.191
   17PA    H28812528   0.252   9.866   1.075
   17PA   Ch28912529   0.243   9.799   1.272
   17PA    H29012530   0.166   9.751   1.331
   17PA    H29112531   0.298   9.713   1.234
   17PA   Ch29212532   0.344   9.854   1.372
   17PA    H29312533   0.303   9.951   1.402
   17PA    H29412534   0.436   9.891   1.326
   17PA   Ch29512535   0.417   9.778   1.482
   17PA    H29612536   0.354   9.690   1.488
   17PA    H29712537   0.497   9.732   1.426
   17PA   Ch29812538   0.483   9.847   1.601
   17PA    H29912539   0.540   9.932   1.563
   17PA    H30012540   0.553   9.781   1.653
   17PA    N30112541   0.373   9.894   1.684
   17PA   Hn30212542   0.350   9.992   1.687
   17PA   Ca30312543   0.316   9.838   1.791
   17PA    O30412544   0.282   9.721   1.778
   17PA   Ch30512545   0.325   9.890   1.934
   17PA    H30612546   0.403   9.840   1.991
   17PA    H30712547   0.363   9.991   1.919
   17PA   Ch30812548   0.206   9.898   2.028
   17PA    H30912549   0.204   9.879   2.136
   17PA    H31012550   0.151   9.805   2.014
   17PA   Ch31112551   0.113  10.015   1.997
   17PA    H31212552   0.172  10.107   2.004
   17PA    H31312553   0.064  10.020   1.900
   17PA   Ch31412554   0.003  10.033   2.101
   17PA    H31512555   0.032  10.021   2.205
   17PA    H31612556  -0.065   9.948   2.092
   17PA   Ca31712557  -0.076  10.164   2.100
   17PA    O31812558  -0.034  10.265   2.156
   17PA    N31912559  -0.189  10.155   2.029
   17PA   Hn32012560  -0.162  10.074   1.975
   17PA   Ch32112561  -0.326  10.176   2.070
   17PA    H32212562  -0.401  10.114   2.020
   17PA    H32312563  -0.340  10.141   2.172
   17PA   Ch32412564  -0.376  10.316   2.038
   17PA    H32512565  -0.342  10.336   1.936
   17PA    H32612566  -0.323  10.389   2.100
   17PA   Ch32712567  -0.524  10.345   2.057
   17PA    H32812568  -0.559  10.316   2.156
   17PA    H32912569  -0.527  10.454   2.050
   17PA   Ch33012570  -0.629  10.305   1.954
   17PA    H33112571  -0.604  10.210   1.907
   17PA    H33212572  -0.603  10.376   1.876
   17PA   Ch33312573  -0.770  10.347   1.994
   17PA    H33412574  -0.774  10.346   2.103
   17PA    H33512575  -0.798  10.452   1.996
   17PA   Ch33612576  -0.882  10.271   1.924
   17PA    H33712577  -0.850  10.248   1.822
   17PA    H33812578  -0.965  10.342   1.926
   17PA    N33912579  -0.917  10.153   2.000
   17PA   Hn34012580  -0.869  10.109   2.078
   17PA   Ca34112581  -1.024  10.074   1.987
   17PA    O34212582  -1.128  10.101   2.046
   17PA   Ch34312583  -1.022   9.946   1.905
   17PA    H34412584  -0.990   9.960   1.802
   17PA    H34512585  -0.921   9.911   1.925
   17PA   Ch34612586  -1.122   9.832   1.921
   17PA    H34712587  -1.167   9.825   2.020
   17PA    H34812588  -1.064   9.740   1.907
   17PA   Ch34912589  -1.220   9.827   1.805
   17PA    H35012590  -1.181   9.880   1.718
   17PA    H35112591  -1.216   9.723   1.771
   17PA   Ch35212592  -1.351   9.895   1.843
   17PA    H35312593  -1.340  10.003   1.854
   17PA    H35412594  -1.393   9.863   1.938
   17PA   Ca35512595  -1.459   9.895   1.736
   17PA    O35612596  -1.436   9.958   1.633
   17PA    N35712597  -1.576   9.833   1.750
   17PA   Hn35812598  -1.633   9.867   1.827
   17PA   Ch35912599  -1.592   9.699   1.698
   17PA    H36012600  -1.560   9.709   1.594
   17PA    H36112601  -1.510   9.648   1.749
   17PA   Ch36212602  -1.732   9.637   1.703
   17PA    H36312603  -1.805   9.717   1.717
   17PA    H36412604  -1.741   9.558   1.777
   17PA   Ch36512605  -1.785   9.551   1.590
   17PA    H36612606  -1.894   9.550   1.597
   17PA    H36712607  -1.752   9.616   1.509
   17PA   Ch36812608  -1.754   9.402   1.576
   17PA    H36912609  -1.845   9.346   1.597
   17PA    H37012610  -1.684   9.393   1.659
   17PA   Ch37112611  -1.673   9.346   1.459
   17PA    H37212612  -1.749   9.353   1.382
   17PA    H37312613  -1.619   9.437   1.432
   17PA   Ch37412614  -1.593   9.217   1.457
   17PA    H37512615  -1.584   9.170   1.556
   17PA    H37612616  -1.498   9.254   1.417
   17PA    N37712617  -1.620   9.128   1.346
   17PA   Hn37812618  -1.555   9.144   1.271
   17PA   Ca37912619  -1.594   8.998   1.355
   17PA    O38012620  -1.675   8.922   1.406
   17PA   Ch38112621  -1.463   8.951   1.293
   17PA    H38212622  -1.494   8.864   1.235
   17PA    H38312623  -1.435   9.034   1.228
   17PA   Ch38412624  -1.348   8.934   1.392
   17PA    H38512625  -1.390   8.883   1.479
   17PA    H38612626  -1.311   9.034   1.418
   17PA   Ch38712627  -1.226   8.871   1.326
   17PA    H38812628  -1.266   8.781   1.280
   17PA    H38912629  -1.180   8.925   1.243
   17PA   Ch39012630  -1.116   8.805   1.408
   17PA    H39112631  -1.170   8.764   1.493
   17PA    H39212632  -1.049   8.881   1.448
   17PA   Ca39312633  -1.029   8.703   1.336
   17PA    O39412634  -0.948   8.759   1.263
   17PA    N39512635  -1.048   8.572   1.354
   17PA   Hn39612636  -1.062   8.550   1.452
   17PA   Ch39712637  -1.111   8.475   1.266
   17PA    H39812638  -1.201   8.429   1.306
   17PA    H39912639  -1.154   8.515   1.175
   17PA   Ch40012640  -1.003   8.377   1.221
   17PA    H40112641  -0.943   8.340   1.304
   17PA    H40212642  -0.931   8.428   1.158
   17PA   Ch40312643  -1.064   8.252   1.157
   17PA    H40412644  -1.121   8.211   1.241
   17PA    H40512645  -1.143   8.260   1.083
   17PA   Ch40612646  -0.970   8.144   1.108
   17PA    H40712647  -1.027   8.061   1.150
   17PA    H40812648  -0.878   8.115   1.160
   17PA   Ch40912649  -0.933   8.150   0.960
   17PA    H41012650  -0.840   8.099   0.937
   17PA    H41112651  -1.025   8.107   0.918
   17PA   Ch41212652  -0.930   8.287   0.893
   17PA    H41312653  -0.847   8.352   0.921
   17PA    H41412654  -1.023   8.336   0.921
   17PA    N41512655  -0.910   8.244   0.756
   17PA   Hn41612656  -0.814   8.224   0.734
   17PA   Ca41712657  -0.967   8.297   0.647
   17PA    O41812658  -1.077   8.261   0.607
   17PA   Ch41912659  -0.882   8.398   0.570
   17PA    H42012660  -0.880   8.477   0.646
   17PA    H42112661  -0.786   8.356   0.540
   17PA   Ch42212662  -0.944   8.477   0.456
   17PA    H42312663  -1.050   8.451   0.458
   17PA    H42412664  -0.901   8.440   0.363
   17PA   Ch42512665  -0.918   8.626   0.443
   17PA    H42612666  -0.900   8.675   0.539
   17PA    H42712667  -0.819   8.642   0.400
   17PA   Ch42812668  -1.029   8.705   0.375
   17PA    H42912669  -1.046   8.643   0.287
   17PA    H43012670  -0.976   8.795   0.342
   17PA   Ca43112671  -1.161   8.743   0.439
   17PA    O43212672  -1.240   8.655   0.470
   17PA    N43312673  -1.193   8.872   0.421
   17PA   Hn43412674  -1.119   8.931   0.458
   17PA   Ch43512675  -1.283   8.925   0.320
   17PA    H43612676  -1.257   8.884   0.222
   17PA    H43712677  -1.390   8.904   0.324
   17PA   Ch43812678  -1.257   9.066   0.271
   17PA    H43912679  -1.152   9.071   0.242
   17PA    H44012680  -1.270   9.121   0.364
   17PA   Ch44112681  -1.376   9.125   0.195
   17PA    H44212682  -1.377   9.084   0.094
   17PA    H44312683  -1.466   9.120   0.257
   17PA   Ch44412684  -1.358   9.273   0.165
   17PA    H44512685  -1.254   9.306   0.160
   17PA    H44612686  -1.373   9.331   0.256
   17PA   Ch44712687  -1.437   9.328   0.047
   17PA    H44812688  -1.377   9.321  -0.044
   17PA    H44912689  -1.514   9.250   0.047
   17PA   Ch45012690  -1.501   9.465   0.061
   17PA    H45112691  -1.519   9.498   0.164
   17PA    H45212692  -1.592   9.436   0.008
   17PA    N45312693  -1.424   9.566  -0.008
   17PA   Hn45412694  -1.331   9.546  -0.040
   17PA   Ca45512695  -1.427   9.698   0.012
   17PA    O45612696  -1.541   9.740  -0.003
   17PA   Ch45712697  -1.344   9.747   0.130
   17PA    H45812698  -1.357   9.854   0.145
   17PA    H45912699  -1.374   9.701   0.225
   17PA   Ch46012700  -1.195   9.723   0.112
   17PA    H46112701  -1.182   9.714   0.004
   17PA    H46212702  -1.148   9.647   0.173
   17PA   Ch46312703  -1.111   9.844   0.150
   17PA    H46412704  -1.130   9.919   0.073
   17PA    H46512705  -1.151   9.896   0.238
   17PA   Ch46612706  -0.961   9.822   0.152
   17PA    H46712707  -0.915   9.744   0.091
   17PA    H46812708  -0.945   9.787   0.254
   17PA   Ca46912709  -0.864   9.933   0.115
   17PA    O47012710  -0.875   9.995   0.009
   17PA    N47112711  -0.735   9.906   0.131
   17PA   Hn47212712  -0.719   9.815   0.090
   17PA   Ch47312713  -0.632   9.955   0.221
   17PA    H47412714  -0.649  10.060   0.246
   17PA    H47512715  -0.650   9.922   0.323
   17PA   Ch47612716  -0.492   9.915   0.176
   17PA    H47712717  -0.427   9.978   0.236
   17PA    H47812718  -0.466   9.932   0.072
   17PA   Ch47912719  -0.473   9.768   0.211
   17PA    H48012720  -0.523   9.742   0.305
   17PA    H48112721  -0.500   9.698   0.132
   17PA   Ch48212722  -0.335   9.703   0.207
   17PA    H48312723  -0.283   9.707   0.111
   17PA    H48412724  -0.351   9.600   0.239
   17PA   Ch48512725  -0.247   9.771   0.312
   17PA    H48612726  -0.212   9.873   0.296
   17PA    H48712727  -0.310   9.787   0.399
   17PA   Ch48812728  -0.120   9.698   0.351
   17PA    H48912729  -0.061   9.722   0.262
   17PA    H49012730  -0.114   9.590   0.335
   17PA    N49112731  -0.070   9.755   0.475
   17PA   Hn49212732   0.013   9.811   0.473
   17PA   Ca49312733  -0.073   9.677   0.583
   17PA    O49412734  -0.176   9.680   0.651
   17PA   Ch49512735   0.052   9.603   0.625
   17PA    H49612736   0.013   9.508   0.588
   17PA    H49712737   0.140   9.634   0.569
   17PA   Ch49812738   0.069   9.568   0.773
   17PA    H49912739  -0.018   9.543   0.832
   17PA    H50012740   0.089   9.667   0.814
   17PA   Ch50112741   0.191   9.485   0.811
   17PA    H50212742   0.222   9.407   0.741
   17PA    H50312743   0.283   9.541   0.799
   17PA   Ch50412744   0.168   9.440   0.955
   17PA    H50512745   0.112   9.347   0.966
   17PA    H50612746   0.107   9.505   1.018
   17PA   Ca50712747   0.295   9.415   1.035
   17PA    O50812748   0.340   9.491   1.120
   17PA    N50912749   0.374   9.308   1.023
   17PA   Hn51012750   0.336   9.260   1.104
   17PA   Ch51112751   0.500   9.276   0.960
   17PA    H51212752   0.507   9.345   0.875
   17PA    H51312753   0.574   9.327   1.022
   17PA   Ch51412754   0.526   9.127   0.941
   17PA    H51512755   0.472   9.089   1.028
   17PA    H51612756   0.617   9.106   0.996
   17PA   Ch51712757   0.521   9.049   0.811
   17PA    H51812758   0.424   9.000   0.814
   17PA    H51912759   0.532   9.119   0.728
   17PA   Ch52012760   0.624   8.939   0.787
   17PA    H52112761   0.624   8.880   0.879
   17PA    H52212762   0.721   8.990   0.798
   17PA   Ch52312763   0.606   8.869   0.653
   17PA    H52412764   0.511   8.843   0.606
   17PA    H52512765   0.632   8.935   0.570
   17PA   Ch52612766   0.677   8.739   0.622
   17PA    H52712767   0.768   8.734   0.682
   17PA    H52812768   0.686   8.747   0.514
   17PA    N52912769   0.598   8.620   0.646
   17PA   Hn53012770   0.517   8.622   0.586
   17PA   Ca53112771   0.629   8.492   0.626
   17PA    O53212772   0.682   8.436   0.722
   17PA   Ch53312773   0.545   8.401   0.538
   17PA    H53412774   0.450   8.373   0.585
   17PA    H53512775   0.503   8.474   0.470
   17PA   Ch53612776   0.608   8.302   0.441
   17PA    H53712777   0.630   8.220   0.510
   17PA    H53812778   0.689   8.352   0.388
   17PA   Ch53912779   0.524   8.247   0.327
   17PA    H54012780   0.506   8.141   0.341
   17PA    H54112781   0.431   8.301   0.347
   17PA   Ch54212782   0.564   8.260   0.181
   17PA    H54312783   0.673   8.262   0.179
   17PA    H54412784   0.543   8.360   0.142
   17PA   Ca54512785   0.512   8.151   0.088
   17PA    O54612786   0.399   8.102   0.091
   17PA    N54712787   0.583   8.144  -0.024
   17PA   Hn54812788   0.584   8.245  -0.027
   17PA   Ch54912789   0.689   8.061  -0.077
   17PA    H55012790   0.763   8.032  -0.002
   17PA    H55112791   0.637   7.966  -0.082
   17PA   Ch55212792   0.735   8.112  -0.213
   17PA    H55312793   0.736   8.216  -0.247
   17PA    H55412794   0.670   8.047  -0.271
   17PA   Ch55512795   0.875   8.064  -0.247
   17PA    H55612796   0.880   8.105  -0.348
   17PA    H55712797   0.961   8.110  -0.199
   17PA   Ch55812798   0.892   7.913  -0.263
   17PA    H55912799   0.943   7.880  -0.172
   17PA    H56012800   0.967   7.899  -0.341
   17PA   Ch56112801   0.777   7.821  -0.303
   17PA    H56212802   0.800   7.717  -0.280
   17PA    H56312803   0.690   7.836  -0.240
   17PA   Ch56412804   0.716   7.841  -0.442
   17PA    H56512805   0.780   7.882  -0.520
   17PA    H56612806   0.622   7.895  -0.443
   17PA    N56712807   0.676   7.714  -0.500
   17PA   Hn56812808   0.693   7.635  -0.440
   17PA   Ca56912809   0.674   7.675  -0.627
   17PA    O57012810   0.589   7.726  -0.699
   17PA   Ch57112811   0.798   7.604  -0.679
   17PA    H57212812   0.822   7.650  -0.775
   17PA    H57312813   0.880   7.643  -0.618
   17PA   Ch57412814   0.800   7.452  -0.679
   17PA    H57512815   0.716   7.412  -0.736
   17PA    H57612816   0.771   7.432  -0.575
   17PA   Ch57712817   0.922   7.377  -0.731
   17PA    H57812818   0.955   7.416  -0.827
   17PA    H57912819   0.996   7.418  -0.663
   17PA   Ch58012820   0.920   7.225  -0.723
   17PA    H58112821   1.005   7.202  -0.787
   17PA    H58212822   0.844   7.196  -0.795
   17PA   Ca58312823   0.893   7.140  -0.599
   17PA    O58412824   0.775   7.110  -0.582
   17PA    N58512825   0.993   7.108  -0.517
   17PA   Hn58612826   1.026   7.022  -0.560
   17PA   Ch58712827   1.040   7.160  -0.390
   17PA    H58812828   1.063   7.264  -0.409
   17PA    H58912829   0.968   7.166  -0.308
   17PA   Ch59012830   1.173   7.093  -0.355
   17PA    H59112831   1.254   7.165  -0.342
   17PA    H59212832   1.215   7.036  -0.437
   17PA   Ch59312833   1.168   7.022  -0.221
   17PA    H59412834   1.137   7.099  -0.150
   17PA    H59512835   1.092   6.944  -0.229
   17PA   Ch59612836   1.299   6.951  -0.188
   17PA    H59712837   1.388   7.013  -0.189
   17PA    H59812838   1.323   6.865  -0.251
   17PA   Ch59912839   1.293   6.908  -0.042
   17PA    H60012840   1.275   6.999   0.016
   17PA    H60112841   1.195   6.864  -0.021
   17PA   Ch60212842   1.401   6.809  -0.001
   17PA    H60312843   1.496   6.824  -0.051
   17PA    H60412844   1.363   6.711  -0.030
   17PA    N60512845   1.408   6.819   0.144
   17PA   Hn60612846   1.462   6.902   0.164
   17PA   Ca60712847   1.425   6.734   0.245
   17PA    O60812848   1.330   6.665   0.282
   17PA   Ch60912849   1.566   6.723   0.300
   17PA    H61012850   1.580   6.622   0.339
   17PA    H61112851   1.628   6.715   0.211
   17PA   Ch61212852   1.629   6.813   0.406
   17PA    H61312853   1.568   6.832   0.494
   17PA    H61412854   1.631   6.913   0.361
   17PA   Ch61512855   1.761   6.766   0.465
   17PA    H61612856   1.749   6.664   0.502
   17PA    H61712857   1.838   6.757   0.388
   17PA   Ch61812858   1.805   6.861   0.575
   17PA    H61912859   1.740   6.876   0.662
   17PA    H62012860   1.790   6.964   0.544
   17PA   Ca62112861   1.946   6.846   0.633
   17PA    O62212862   1.961   6.747   0.703
   17PA    N62312863   2.047   6.932   0.617
   17PA   Hn62412864   2.078   6.940   0.521
   17PA   Ch62512865   2.097   7.024   0.717
   17PA    H62612866   2.034   7.112   0.728
   17PA    H62712867   2.096   6.960   0.806
   17PA   Ch62812868   2.246   7.055   0.721
   17PA    H62912869   2.296   7.059   0.624
   17PA    H63012870   2.296   6.964   0.754
   17PA   Ch63112871   2.280   7.173   0.811
   17PA    H63212872   2.387   7.169   0.789
   17PA    H63312873   2.230   7.260   0.769
   17PA   Ch63412874   2.272   7.161   0.962
   17PA    H63512875   2.365   7.104   0.970
   17PA    H63612876   2.186   7.106   1.000
   17PA   Ch63712877   2.273   7.300   1.026
   17PA    H63812878   2.367   7.354   1.012
   17PA    H63912879   2.189   7.347   0.975
   17PA   Ch64012880   2.233   7.308   1.172
   17PA    H64112881   2.140   7.255   1.195
   17PA    H64212882   2.277   7.254   1.256
   17PA    N64312883   2.201   7.447   1.193
   17PA   Hn64412884   2.272   7.501   1.240
   17PA   Ca64512885   2.085   7.514   1.203
   17PA    O64612886   1.998   7.495   1.118
   17PA   Ch64712887   2.044   7.569   1.339
   17PA    H64812888   1.954   7.630   1.325
   17PA    H64912889   2.035   7.492   1.415
   17PA   Ch65012890   2.150   7.652   1.410
   17PA    H65112891   2.255   7.623   1.403
   17PA    H65212892   2.106   7.645   1.510
   17PA   Ch65312893   2.140   7.798   1.367
   17PA    H65412894   2.159   7.775   1.262
   17PA    H65512895   2.046   7.853   1.376
   17PA   Ch65612896   2.251   7.884   1.427
   17PA    H65712897   2.345   7.830   1.438
   17PA    H65812898   2.213   7.897   1.528
   17PA   Ca65912899   2.274   8.030   1.392
   17PA    O66012900   2.335   8.053   1.288
   17PA    N66112901   2.225   8.126   1.472
   17PA   Hn66212902   2.125   8.116   1.483
   17PA   Ch66312903   2.289   8.209   1.571
   17PA    H66412904   2.356   8.145   1.629
   17PA    H66512905   2.352   8.282   1.520
   17PA   Ch66612906   2.169   8.259   1.652
   17PA    H66712907   2.097   8.191   1.697
   17PA    H66812908   2.133   8.320   1.569
   17PA   Ch66912909   2.213   8.367   1.750
   17PA    H67012910   2.316   8.349   1.781
   17PA    H67112911   2.242   8.462   1.706
   17PA   Ch67212912   2.123   8.374   1.873
   17PA    H67312913   2.072   8.282   1.901
   17PA    H67412914   2.032   8.431   1.850
   17PA   Ch67512915   2.188   8.401   2.008
   17PA    H67612916   2.090   8.398   2.057
   17PA    H67712917   2.256   8.325   2.047
   17PA   Ch67812918   2.274   8.525   2.026
   17PA    H67912919   2.196   8.601   2.017
   17PA    H68012920   2.350   8.538   1.949
   17PA    N68112921   2.345   8.523   2.153
   17PA   Hn68212922   2.283   8.484   2.222
   17PA   Ca68312923   2.470   8.488   2.184
   17PA    O68412924   2.569   8.530   2.125
   17PA   Ch68512925   2.487   8.346   2.237
   17PA    H68612926   2.390   8.297   2.226
   17PA    H68712927   2.579   8.308   2.192
   17PA   Ch68812928   2.493   8.328   2.388
   17PA    H68912929   2.442   8.400   2.451
   17PA    H69012930   2.601   8.343   2.395
   17PA   Ch69112931   2.463   8.186   2.436
   17PA    H69212932   2.371   8.147   2.394
   17PA    H69312933   2.530   8.118   2.383
   17PA   Ch69412934   2.448   8.170   2.586
   17PA    H69512935   2.387   8.238   2.646
   17PA    H69612936   2.544   8.193   2.631
   17PA   Ca69712937   2.412   8.028   2.627
   17PA    O69812938   2.335   8.032   2.723
   17PA    N69912939   2.492   7.927   2.590
   17PA   Hn70012940   2.586   7.963   2.593
   17PA   Ch70112941   2.439   7.839   2.488
   17PA    H70212942   2.355   7.782   2.528
   17PA    H70312943   2.383   7.887   2.408
   17PA   Ch70412944   2.552   7.765   2.416
   17PA    H70512945   2.538   7.658   2.427
   17PA    H70612946   2.645   7.779   2.471
   17PA   Ch70712947   2.578   7.796   2.270
   17PA    H70812948   2.483   7.782   2.218
   17PA    H70912949   2.602   7.901   2.286
   17PA   Ch71012950   2.684   7.708   2.204
   17PA    H71112951   2.674   7.601   2.225
   17PA    H71212952   2.777   7.755   2.238
   17PA   Ch71312953   2.685   7.735   2.054
   17PA    H71412954   2.680   7.842   2.034
   17PA    H71512955   2.784   7.694   2.035
   17PA   Ch71612956   2.579   7.674   1.962
   17PA    H71712957   2.482   7.687   2.010
   17PA    H71812958   2.595   7.566   1.973
   17PA    N71912959   2.595   7.698   1.820
   17PA   Hn72012960   2.689   7.687   1.784
   17PA   Ca72112961   2.507   7.724   1.723
   17PA    O72212962   2.441   7.827   1.712
   17PA   Ch72312963   2.472   7.615   1.623
   17PA    H72412964   2.421   7.656   1.537
   17PA    H72512965   2.568   7.589   1.578
   17PA   Ch72612966   2.388   7.503   1.683
   17PA    H72712967   2.312   7.468   1.613
   17PA    H72812968   2.321   7.550   1.757
   17PA   Ch72912969   2.461   7.383   1.741
   17PA    H73012970   2.494   7.425   1.836
   17PA    H73112971   2.380   7.331   1.791
   17PA   Ch73212972   2.567   7.320   1.651
   17PA    H73312973   2.663   7.361   1.683
   17PA    H73412974   2.549   7.360   1.551
   17PA   Ca73512975   2.582   7.170   1.631
   17PA    O73612976   2.475   7.109   1.626
   17PA    N73712977   2.694   7.127   1.573
   17PA   Hn73812978   2.711   7.165   1.480
   17PA   Ch73912979   2.804   7.054   1.633
   17PA    H74012980   2.774   6.991   1.717
   17PA    H74112981   2.847   6.974   1.573
   17PA   Ch74212982   2.904   7.150   1.696
   17PA    H74312983   2.918   7.154   1.804
   17PA    H74412984   2.882   7.252   1.664
   17PA   Ch74512985   3.042   7.107   1.648
   17PA    H74612986   3.104   7.156   1.723
   17PA    H74712987   3.067   7.006   1.678
   17PA   Ch74812988   3.068   7.144   1.503
   17PA    H74912989   3.059   7.253   1.502
   17PA    H75012990   2.985   7.125   1.434
   17PA   Ch75112991   3.212   7.114   1.464
   17PA    H75212992   3.245   7.013   1.490
   17PA    H75312993   3.193   7.100   1.358
   17PA   Ch75412994   3.312   7.220   1.508
   17PA    H75512995   3.378   7.155   1.566
   17PA    H75612996   3.266   7.289   1.578
   17PA    N75712997   3.390   7.297   1.412
   17PA   Hn75812998   3.403   7.397   1.415
   17PA   Ca75912999   3.511   7.282   1.358
   17PA    O76013000   3.544   7.202   1.271
   17PA   Ch76113001   3.615   7.345   1.449
   17PA    H76213002   3.662   7.254   1.486
   17PA    H76313003   3.672   7.411   1.384
   17PA    H76413004   0.706  10.128   2.676
   17PA    H76513005   3.583   7.399   1.538
   18PA     Ch113006  -4.623   5.915  -3.119
   18PA      H213007  -4.699   5.854  -3.070
   18PA      H313008  -4.576   5.827  -3.163
   18PA     Ch413009  -4.511   5.990  -3.050
   18PA      H513010  -4.551   6.088  -3.025
   18PA      H613011  -4.430   6.016  -3.119
   18PA     Ch713012  -4.458   5.895  -2.944
   18PA      H813013  -4.545   5.871  -2.882
   18PA      H913014  -4.418   5.799  -2.979
   18PA    Ch1013015  -4.350   5.954  -2.854
   18PA     H1113016  -4.401   6.031  -2.796
   18PA     H1213017  -4.267   6.008  -2.900
   18PA    Ca1313018  -4.283   5.858  -2.757
   18PA     O1413019  -4.307   5.859  -2.636
   18PA     N1513020  -4.188   5.778  -2.805
   18PA    Hn1613021  -4.146   5.829  -2.881
   18PA    Ch1713022  -4.172   5.635  -2.797
   18PA     H1813023  -4.163   5.621  -2.689
   18PA     H1913024  -4.261   5.580  -2.827
   18PA    Ch2013025  -4.055   5.612  -2.892
   18PA     H2113026  -4.012   5.695  -2.948
   18PA     H2213027  -4.085   5.529  -2.956
   18PA    Ch2313028  -3.940   5.569  -2.802
   18PA     H2413029  -3.876   5.657  -2.800
   18PA     H2513030  -3.961   5.521  -2.706
   18PA    Ch2613031  -3.849   5.461  -2.858
   18PA     H2713032  -3.815   5.500  -2.954
   18PA     H2813033  -3.913   5.379  -2.894
   18PA    Ch2913034  -3.731   5.424  -2.770
   18PA     H3013035  -3.679   5.520  -2.758
   18PA     H3113036  -3.753   5.380  -2.672
   18PA    Ch3213037  -3.642   5.327  -2.847
   18PA     H3313038  -3.686   5.283  -2.936
   18PA     H3413039  -3.627   5.246  -2.775
   18PA     N3513040  -3.513   5.384  -2.880
   18PA    Hn3613041  -3.509   5.486  -2.878
   18PA    Ca3713042  -3.420   5.361  -2.973
   18PA     O3813043  -3.344   5.266  -2.956
   18PA    Ch3913044  -3.430   5.449  -3.097
   18PA     H4013045  -3.530   5.472  -3.135
   18PA     H4113046  -3.405   5.550  -3.066
   18PA    Ch4213047  -3.350   5.404  -3.218
   18PA     H4313048  -3.256   5.354  -3.198
   18PA     H4413049  -3.299   5.485  -3.270
   18PA    Ch4513050  -3.430   5.321  -3.319
   18PA     H4613051  -3.526   5.368  -3.338
   18PA     H4713052  -3.359   5.318  -3.401
   18PA    Ch4813053  -3.470   5.177  -3.289
   18PA     H4913054  -3.391   5.144  -3.221
   18PA     H5013055  -3.473   5.135  -3.389
   18PA    Ca5113056  -3.609   5.140  -3.241
   18PA     O5213057  -3.606   5.067  -3.143
   18PA     N5313058  -3.712   5.218  -3.277
   18PA    Hn5413059  -3.721   5.245  -3.374
   18PA    Ch5513060  -3.804   5.287  -3.189
   18PA     H5613061  -3.821   5.231  -3.097
   18PA     H5713062  -3.789   5.395  -3.186
   18PA    Ch5813063  -3.938   5.274  -3.261
   18PA     H5913064  -3.933   5.165  -3.270
   18PA     H6013065  -3.947   5.308  -3.364
   18PA    Ch6113066  -4.060   5.317  -3.180
   18PA     H6213067  -4.035   5.337  -3.076
   18PA     H6313068  -4.095   5.412  -3.222
   18PA    Ch6413069  -4.187   5.233  -3.186
   18PA     H6513070  -4.179   5.125  -3.173
   18PA     H6613071  -4.213   5.246  -3.291
   18PA    Ch6713072  -4.292   5.281  -3.087
   18PA     H6813073  -4.262   5.230  -2.995
   18PA     H6913074  -4.287   5.387  -3.062
   18PA    Ch7013075  -4.436   5.243  -3.118
   18PA     H7113076  -4.433   5.134  -3.127
   18PA     H7213077  -4.476   5.283  -3.211
   18PA     N7313078  -4.510   5.322  -3.022
   18PA    Hn7413079  -4.540   5.413  -3.054
   18PA    Ca7513080  -4.607   5.285  -2.937
   18PA     O7613081  -4.585   5.204  -2.848
   18PA    Ch7713082  -4.753   5.294  -2.978
   18PA     H7813083  -4.815   5.286  -2.889
   18PA     H7913084  -4.758   5.400  -3.003
   18PA    Ch8013085  -4.808   5.219  -3.099
   18PA     H8113086  -4.824   5.125  -3.047
   18PA     H8213087  -4.725   5.208  -3.168
   18PA    Ch8313088  -4.928   5.274  -3.174
   18PA     H8413089  -4.891   5.356  -3.236
   18PA     H8513090  -4.940   5.198  -3.252
   18PA    Ch8613091  -5.063   5.285  -3.103
   18PA     H8713092  -5.126   5.337  -3.175
   18PA     H8813093  -5.032   5.351  -3.022
   18PA    Ca8913094  -5.147   5.164  -3.065
   18PA     O9013095  -5.154   5.125  -2.948
   18PA     N9113096  -5.231   5.116  -3.156
   18PA    Hn9213097  -5.184   5.085  -3.240
   18PA    Ch9313098  -5.375   5.131  -3.165
   18PA     H9413099  -5.417   5.061  -3.091
   18PA     H9513100  -5.416   5.220  -3.117
   18PA    Ch9613101  -5.438   5.095  -3.299
   18PA     H9713102  -5.423   4.993  -3.333
   18PA     H9813103  -5.383   5.141  -3.381
   18PA    Ch9913104  -5.581   5.145  -3.313
   18PA    H10013105  -5.593   5.234  -3.250
   18PA    H10113106  -5.616   5.170  -3.413
   18PA   Ch10213107  -5.696   5.048  -3.290
   18PA    H10313108  -5.669   4.973  -3.215
   18PA    H10413109  -5.710   4.990  -3.381
   18PA   Ch10513110  -5.839   5.095  -3.265
   18PA    H10613111  -5.907   5.011  -3.254
   18PA    H10713112  -5.851   5.144  -3.169
   18PA   Ch10813113  -5.904   5.196  -3.358
   18PA    H10913114  -5.906   5.161  -3.462
   18PA    H11013115  -5.845   5.287  -3.347
   18PA    N11113116  -6.035   5.214  -3.300
   18PA   Hn11213117  -6.097   5.139  -3.328
   18PA   Ca11313118  -6.073   5.277  -3.189
   18PA    O11413119  -6.112   5.391  -3.210
   18PA   Ch11513120  -6.114   5.198  -3.065
   18PA    H11613121  -6.200   5.260  -3.039
   18PA    H11713122  -6.130   5.094  -3.092
   18PA   Ch11813123  -6.031   5.193  -2.937
   18PA    H11913124  -5.924   5.206  -2.954
   18PA    H12013125  -6.049   5.094  -2.895
   18PA   Ch12113126  -6.062   5.312  -2.846
   18PA    H12213127  -5.965   5.312  -2.794
   18PA    H12313128  -6.068   5.407  -2.899
   18PA   Ch12413129  -6.160   5.296  -2.731
   18PA    H12513130  -6.123   5.212  -2.673
   18PA    H12613131  -6.256   5.247  -2.750
   18PA   Ca12713132  -6.157   5.403  -2.623
   18PA    O12813133  -6.071   5.414  -2.536
   18PA    N12913134  -6.269   5.476  -2.622
   18PA   Hn13013135  -6.286   5.511  -2.715
   18PA   Ch13113136  -6.384   5.479  -2.534
   18PA    H13213137  -6.408   5.383  -2.490
   18PA    H13313138  -6.361   5.534  -2.443
   18PA   Ch13413139  -6.483   5.551  -2.624
   18PA    H13513140  -6.506   5.472  -2.696
   18PA    H13613141  -6.445   5.650  -2.648
   18PA   Ch13713142  -6.625   5.580  -2.578
   18PA    H13813143  -6.689   5.493  -2.592
   18PA    H13913144  -6.612   5.618  -2.477
   18PA   Ch14013145  -6.686   5.683  -2.672
   18PA    H14113146  -6.638   5.781  -2.671
   18PA    H14213147  -6.778   5.719  -2.627
   18PA   Ch14313148  -6.699   5.651  -2.820
   18PA    H14413149  -6.701   5.741  -2.882
   18PA    H14513150  -6.607   5.602  -2.852
   18PA   Ch14613151  -6.815   5.561  -2.860
   18PA    H14713152  -6.865   5.519  -2.772
   18PA    H14813153  -6.767   5.485  -2.922
   18PA    N14913154  -6.927   5.632  -2.919
   18PA   Hn15013155  -6.955   5.710  -2.861
   18PA   Ca15113156  -6.983   5.610  -3.038
   18PA    O15213157  -7.016   5.493  -3.054
   18PA   Ch15313158  -6.990   5.708  -3.154
   18PA    H15413159  -6.966   5.800  -3.101
   18PA    H15513160  -6.913   5.678  -3.225
   18PA   Ch15613161  -7.122   5.746  -3.221
   18PA    H15713162  -7.210   5.739  -3.158
   18PA    H15813163  -7.145   5.679  -3.304
   18PA   Ch15913164  -7.130   5.879  -3.294
   18PA    H16013165  -7.099   5.947  -3.215
   18PA    H16113166  -7.039   5.880  -3.354
   18PA   Ch16213167  -7.268   5.903  -3.356
   18PA    H16313168  -7.343   5.903  -3.278
   18PA    H16413169  -7.287   5.814  -3.416
   18PA   Ca16513170  -7.292   6.024  -3.445
   18PA    O16613171  -7.257   6.004  -3.561
   18PA    N16713172  -7.310   6.142  -3.385
   18PA   Hn16813173  -7.374   6.142  -3.306
   18PA   Ch16913174  -7.216   6.251  -3.379
   18PA    H17013175  -7.123   6.234  -3.434
   18PA    H17113176  -7.267   6.325  -3.441
   18PA   Ch17213177  -7.164   6.283  -3.239
   18PA    H17313178  -7.127   6.193  -3.190
   18PA    H17413179  -7.258   6.316  -3.195
   18PA   Ch17513180  -7.059   6.392  -3.224
   18PA    H17613181  -6.969   6.361  -3.170
   18PA    H17713182  -7.028   6.432  -3.321
   18PA   Ch17813183  -7.102   6.515  -3.146
   18PA    H17913184  -7.183   6.545  -3.212
   18PA    H18013185  -7.037   6.599  -3.171
   18PA   Ch18113186  -7.156   6.514  -3.004
   18PA    H18213187  -7.127   6.422  -2.953
   18PA    H18313188  -7.076   6.576  -2.966
   18PA   Ch18413189  -7.290   6.584  -2.986
   18PA    H18513190  -7.352   6.559  -3.073
   18PA    H18613191  -7.258   6.687  -3.000
   18PA    N18713192  -7.346   6.545  -2.858
   18PA   Hn18813193  -7.281   6.523  -2.784
   18PA   Ca18913194  -7.453   6.472  -2.828
   18PA    O19013195  -7.567   6.516  -2.841
   18PA   Ch19113196  -7.434   6.323  -2.804
   18PA    H19213197  -7.442   6.283  -2.905
   18PA    H19313198  -7.329   6.313  -2.774
   18PA   Ch19413199  -7.542   6.244  -2.731
   18PA    H19513200  -7.499   6.158  -2.681
   18PA    H19613201  -7.593   6.191  -2.811
   18PA   Ch19713202  -7.632   6.284  -2.614
   18PA    H19813203  -7.655   6.197  -2.552
   18PA    H19913204  -7.571   6.341  -2.544
   18PA   Ch20013205  -7.777   6.328  -2.633
   18PA    H20113206  -7.765   6.434  -2.656
   18PA    H20213207  -7.826   6.350  -2.538
   18PA   Ca20313208  -7.856   6.248  -2.735
   18PA    O20413209  -7.885   6.295  -2.844
   18PA    N20513210  -7.912   6.134  -2.692
   18PA   Hn20613211  -7.847   6.107  -2.620
   18PA   Ch20713212  -8.051   6.111  -2.658
   18PA    H20813213  -8.074   6.188  -2.585
   18PA    H20913214  -8.126   6.128  -2.737
   18PA   Ch21013215  -8.068   5.977  -2.589
   18PA    H21113216  -8.034   5.979  -2.486
   18PA    H21213217  -8.002   5.902  -2.634
   18PA   Ch21313218  -8.212   5.929  -2.598
   18PA    H21413219  -8.258   5.922  -2.499
   18PA    H21513220  -8.276   5.997  -2.653
   18PA   Ch21613221  -8.232   5.793  -2.663
   18PA    H21713222  -8.167   5.729  -2.603
   18PA    H21813223  -8.186   5.795  -2.762
   18PA   Ch21913224  -8.379   5.759  -2.682
   18PA    H22013225  -8.402   5.733  -2.578
   18PA    H22113226  -8.446   5.845  -2.686
   18PA   Ch22213227  -8.410   5.629  -2.755
   18PA    H22313228  -8.487   5.575  -2.700
   18PA    H22413229  -8.323   5.564  -2.765
   18PA    N22513230  -8.465   5.680  -2.880
   18PA   Hn22613231  -8.412   5.748  -2.933
   18PA   Ca22713232  -8.522   5.617  -2.983
   18PA    O22813233  -8.632   5.563  -2.967
   18PA   Ch22913234  -8.419   5.596  -3.093
   18PA    H23013235  -8.318   5.585  -3.054
   18PA    H23113236  -8.454   5.497  -3.123
   18PA   Ch23213237  -8.406   5.689  -3.212
   18PA    H23313238  -8.316   5.655  -3.263
   18PA    H23413239  -8.389   5.777  -3.149
   18PA   Ch23513240  -8.511   5.685  -3.323
   18PA    H23613241  -8.602   5.687  -3.263
   18PA    H23713242  -8.496   5.776  -3.381
   18PA   Ch23813243  -8.516   5.563  -3.413
   18PA    H23913244  -8.570   5.480  -3.368
   18PA    H24013245  -8.416   5.526  -3.437
   18PA   Ca24113246  -8.612   5.570  -3.531
   18PA    O24213247  -8.733   5.582  -3.509
   18PA    N24313248  -8.560   5.612  -3.646
   18PA   Hn24413249  -8.552   5.522  -3.691
   18PA   Ch24513250  -8.574   5.744  -3.705
   18PA    H24613251  -8.651   5.808  -3.662
   18PA    H24713252  -8.500   5.812  -3.663
   18PA   Ch24813253  -8.559   5.744  -3.857
   18PA    H24913254  -8.540   5.647  -3.903
   18PA    H25013255  -8.480   5.816  -3.883
   18PA   Ch25113256  -8.673   5.801  -3.939
   18PA    H25213257  -8.756   5.730  -3.941
   18PA    H25313258  -8.715   5.897  -3.909
   18PA   Ch25413259  -8.656   5.802  -4.090
   18PA    H25513260  -8.752   5.811  -4.142
   18PA    H25613261  -8.642   5.704  -4.137
   18PA   Ch25713262  -8.567   5.911  -4.148
   18PA    H25813263  -8.604   6.014  -4.157
   18PA    H25913264  -8.476   5.931  -4.092
   18PA   Ch26013265  -8.508   5.876  -4.284
   18PA    H26113266  -8.502   5.767  -4.280
   18PA    H26213267  -8.407   5.917  -4.286
   18PA    N26313268  -8.596   5.923  -4.389
   18PA   Hn26413269  -8.695   5.921  -4.370
   18PA   Ca26513270  -8.591   6.030  -4.468
   18PA    O26613271  -8.685   6.110  -4.470
   18PA   Ch26713272  -8.526   6.006  -4.603
   18PA    H26813273  -8.595   5.933  -4.646
   18PA    H26913274  -8.539   6.087  -4.675
   18PA   Ch27013275  -8.388   5.943  -4.619
   18PA    H27113276  -8.329   5.985  -4.537
   18PA    H27213277  -8.336   5.943  -4.715
   18PA   Ch27313278  -8.385   5.792  -4.606
   18PA    H27413279  -8.399   5.753  -4.505
   18PA    H27513280  -8.443   5.751  -4.689
   18PA   Ch27613281  -8.241   5.747  -4.628
   18PA    H27713282  -8.196   5.794  -4.715
   18PA    H27813283  -8.177   5.773  -4.544
   18PA   Ca27913284  -8.232   5.599  -4.660
   18PA    O28013285  -8.247   5.565  -4.777
   18PA    N28113286  -8.170   5.507  -4.586
   18PA   Hn28213287  -8.187   5.522  -4.488
   18PA   Ch28313288  -8.041   5.447  -4.613
   18PA    H28413289  -8.040   5.399  -4.711
   18PA    H28513290  -7.968   5.527  -4.628
   18PA   Ch28613291  -8.005   5.357  -4.496
   18PA    H28713292  -7.927   5.315  -4.560
   18PA    H28813293  -8.088   5.291  -4.472
   18PA   Ch28913294  -7.934   5.426  -4.380
   18PA    H29013295  -7.867   5.506  -4.412
   18PA    H29113296  -8.012   5.460  -4.312
   18PA   Ch29213297  -7.858   5.322  -4.298
   18PA    H29313298  -7.773   5.293  -4.360
   18PA    H29413299  -7.914   5.229  -4.294
   18PA   Ch29513300  -7.804   5.371  -4.164
   18PA    H29613301  -7.733   5.454  -4.168
   18PA    H29713302  -7.899   5.398  -4.117
   18PA   Ch29813303  -7.723   5.270  -4.083
   18PA    H29913304  -7.616   5.280  -4.070
   18PA    H30013305  -7.733   5.167  -4.119
   18PA    N30113306  -7.769   5.263  -3.946
   18PA   Hn30213307  -7.821   5.181  -3.919
   18PA   Ca30313308  -7.721   5.325  -3.838
   18PA    O30413309  -7.741   5.446  -3.836
   18PA   Ch30513310  -7.657   5.264  -3.714
   18PA    H30613311  -7.650   5.335  -3.631
   18PA    H30713312  -7.740   5.201  -3.679
   18PA   Ch30813313  -7.525   5.190  -3.730
   18PA    H30913314  -7.456   5.273  -3.712
   18PA    H31013315  -7.512   5.175  -3.837
   18PA   Ch31113316  -7.506   5.063  -3.648
   18PA    H31213317  -7.557   5.078  -3.553
   18PA    H31313318  -7.557   4.983  -3.701
   18PA   Ch31413319  -7.363   5.018  -3.624
   18PA    H31513320  -7.307   5.098  -3.576
   18PA    H31613321  -7.331   5.005  -3.727
   18PA   Ca31713322  -7.336   4.889  -3.548
   18PA    O31813323  -7.361   4.885  -3.427
   18PA    N31913324  -7.326   4.781  -3.626
   18PA   Hn32013325  -7.252   4.792  -3.694
   18PA   Ch32113326  -7.433   4.686  -3.650
   18PA    H32213327  -7.456   4.652  -3.548
   18PA    H32313328  -7.519   4.734  -3.696
   18PA   Ch32413329  -7.389   4.583  -3.753
   18PA    H32513330  -7.292   4.554  -3.711
   18PA    H32613331  -7.372   4.620  -3.854
   18PA   Ch32713332  -7.483   4.465  -3.773
   18PA    H32813333  -7.549   4.510  -3.847
   18PA    H32913334  -7.422   4.413  -3.848
   18PA   Ch33013335  -7.557   4.389  -3.663
   18PA    H33113336  -7.622   4.437  -3.589
   18PA    H33213337  -7.501   4.311  -3.611
   18PA   Ch33313338  -7.675   4.317  -3.726
   18PA    H33413339  -7.740   4.289  -3.643
   18PA    H33513340  -7.749   4.378  -3.778
   18PA   Ch33613341  -7.656   4.192  -3.811
   18PA    H33713342  -7.619   4.109  -3.751
   18PA    H33813343  -7.574   4.210  -3.881
   18PA    N33913344  -7.772   4.154  -3.889
   18PA   Hn34013345  -7.787   4.198  -3.979
   18PA   Ca34113346  -7.834   4.036  -3.876
   18PA    O34213347  -7.907   4.009  -3.781
   18PA   Ch34313348  -7.821   3.943  -3.996
   18PA    H34413349  -7.719   3.930  -4.031
   18PA    H34513350  -7.860   3.851  -3.952
   18PA   Ch34613351  -7.905   3.976  -4.119
   18PA    H34713352  -7.864   4.053  -4.184
   18PA    H34813353  -7.996   4.005  -4.067
   18PA   Ch34913354  -7.961   3.858  -4.197
   18PA    H35013355  -7.873   3.831  -4.255
   18PA    H35113356  -7.983   3.776  -4.129
   18PA   Ch35213357  -8.085   3.879  -4.283
   18PA    H35313358  -8.164   3.944  -4.247
   18PA    H35413359  -8.152   3.798  -4.252
   18PA   Ca35513360  -8.085   3.905  -4.433
   18PA    O35613361  -8.175   3.856  -4.500
   18PA    N35713362  -8.016   4.010  -4.478
   18PA   Hn35813363  -7.923   3.977  -4.456
   18PA   Ch35913364  -8.059   4.143  -4.516
   18PA    H36013365  -8.138   4.128  -4.591
   18PA    H36113366  -8.110   4.189  -4.431
   18PA   Ch36213367  -7.946   4.224  -4.578
   18PA    H36313368  -7.863   4.163  -4.613
   18PA    H36413369  -7.893   4.263  -4.491
   18PA   Ch36513370  -7.999   4.335  -4.668
   18PA    H36613371  -8.017   4.303  -4.771
   18PA    H36713372  -8.096   4.368  -4.632
   18PA   Ch36813373  -7.880   4.425  -4.699
   18PA    H36913374  -7.783   4.388  -4.729
   18PA    H37013375  -7.836   4.469  -4.610
   18PA   Ch37113376  -7.928   4.544  -4.782
   18PA    H37213377  -7.938   4.490  -4.876
   18PA    H37313378  -8.021   4.585  -4.743
   18PA   Ch37413379  -7.836   4.665  -4.793
   18PA    H37513380  -7.736   4.622  -4.798
   18PA    H37613381  -7.861   4.718  -4.702
   18PA    N37713382  -7.884   4.729  -4.915
   18PA   Hn37813383  -7.827   4.718  -4.998
   18PA   Ca37913384  -7.941   4.849  -4.917
   18PA    O38013385  -8.062   4.861  -4.899
   18PA   Ch38113386  -7.855   4.966  -4.962
   18PA    H38213387  -7.774   4.952  -5.033
   18PA    H38313388  -7.910   5.049  -5.006
   18PA   Ch38413389  -7.782   5.031  -4.845
   18PA    H38513390  -7.726   4.959  -4.785
   18PA    H38613391  -7.858   5.074  -4.779
   18PA   Ch38713392  -7.687   5.145  -4.878
   18PA    H38813393  -7.590   5.095  -4.876
   18PA    H38913394  -7.720   5.175  -4.978
   18PA   Ch39013395  -7.670   5.272  -4.796
   18PA    H39113396  -7.765   5.326  -4.800
   18PA    H39213397  -7.589   5.323  -4.848
   18PA   Ca39313398  -7.621   5.253  -4.653
   18PA    O39413399  -7.702   5.209  -4.572
   18PA    N39513400  -7.518   5.328  -4.613
   18PA   Hn39613401  -7.441   5.340  -4.677
   18PA   Ch39713402  -7.548   5.450  -4.540
   18PA    H39813403  -7.561   5.536  -4.606
   18PA    H39913404  -7.637   5.441  -4.478
   18PA   Ch40013405  -7.427   5.472  -4.451
   18PA    H40113406  -7.418   5.575  -4.415
   18PA    H40213407  -7.337   5.453  -4.511
   18PA   Ch40313408  -7.436   5.391  -4.323
   18PA    H40413409  -7.521   5.423  -4.263
   18PA    H40513410  -7.462   5.285  -4.329
   18PA   Ch40613411  -7.311   5.400  -4.237
   18PA    H40713412  -7.298   5.508  -4.235
   18PA    H40813413  -7.228   5.346  -4.285
   18PA   Ch40913414  -7.319   5.345  -4.095
   18PA    H41013415  -7.258   5.407  -4.029
   18PA    H41113416  -7.413   5.350  -4.040
   18PA   Ch41213417  -7.267   5.202  -4.092
   18PA    H41313418  -7.278   5.154  -4.190
   18PA    H41413419  -7.333   5.151  -4.022
   18PA    N41513420  -7.128   5.187  -4.054
   18PA   Hn41613421  -7.095   5.102  -4.010
   18PA   Ca41713422  -7.018   5.227  -4.118
   18PA    O41813423  -6.998   5.347  -4.138
   18PA   Ch41913424  -6.959   5.109  -4.194
   18PA    H42013425  -6.984   5.011  -4.155
   18PA    H42113426  -6.993   5.115  -4.297
   18PA   Ch42213427  -6.807   5.100  -4.188
   18PA    H42313428  -6.757   5.194  -4.216
   18PA    H42413429  -6.773   5.050  -4.279
   18PA   Ch42513430  -6.722   5.029  -4.084
   18PA    H42613431  -6.785   5.049  -3.998
   18PA    H42713432  -6.708   4.921  -4.089
   18PA   Ch42813433  -6.592   5.102  -4.053
   18PA    H42913434  -6.609   5.209  -4.045
   18PA    H43013435  -6.519   5.084  -4.132
   18PA   Ca43113436  -6.546   5.095  -3.908
   18PA    O43213437  -6.624   5.069  -3.816
   18PA    N43313438  -6.414   5.100  -3.893
   18PA   Hn43413439  -6.390   5.178  -3.952
   18PA   Ch43513440  -6.309   5.009  -3.851
   18PA    H43613441  -6.235   5.027  -3.773
   18PA    H43713442  -6.366   4.923  -3.814
   18PA   Ch43813443  -6.244   4.943  -3.972
   18PA    H43913444  -6.231   5.028  -4.039
   18PA    H44013445  -6.315   4.859  -3.982
   18PA   Ch44113446  -6.106   4.885  -3.946
   18PA    H44213447  -6.046   4.976  -3.957
   18PA    H44313448  -6.090   4.868  -3.840
   18PA   Ch44413449  -6.058   4.767  -4.030
   18PA    H44513450  -6.039   4.800  -4.132
   18PA    H44613451  -6.140   4.695  -4.027
   18PA   Ch44713452  -5.929   4.691  -4.003
   18PA    H44813453  -5.886   4.648  -4.093
   18PA    H44913454  -5.873   4.785  -4.001
   18PA   Ch45013455  -5.920   4.607  -3.876
   18PA    H45113456  -6.000   4.631  -3.806
   18PA    H45213457  -5.827   4.645  -3.834
   18PA    N45313458  -5.894   4.465  -3.891
   18PA   Hn45413459  -5.957   4.421  -3.957
   18PA   Ca45513460  -5.876   4.387  -3.784
   18PA    O45613461  -5.779   4.378  -3.708
   18PA   Ch45713462  -5.996   4.296  -3.768
   18PA    H45813463  -6.059   4.275  -3.855
   18PA    H45913464  -5.955   4.196  -3.758
   18PA   Ch46013465  -6.097   4.316  -3.656
   18PA    H46113466  -6.181   4.248  -3.672
   18PA    H46213467  -6.124   4.420  -3.635
   18PA   Ch46313468  -6.074   4.251  -3.520
   18PA    H46413469  -6.046   4.146  -3.520
   18PA    H46513470  -5.982   4.306  -3.501
   18PA   Ch46613471  -6.146   4.274  -3.388
   18PA    H46713472  -6.155   4.170  -3.358
   18PA    H46813473  -6.246   4.318  -3.393
   18PA   Ca46913474  -6.079   4.354  -3.278
   18PA    O47013475  -6.091   4.475  -3.294
   18PA    N47113476  -6.085   4.287  -3.162
   18PA   Hn47213477  -6.048   4.199  -3.195
   18PA   Ch47313478  -6.182   4.315  -3.058
   18PA    H47413479  -6.212   4.420  -3.045
   18PA    H47513480  -6.259   4.239  -3.047
   18PA   Ch47613481  -6.115   4.275  -2.928
   18PA    H47713482  -6.014   4.316  -2.926
   18PA    H47813483  -6.092   4.170  -2.912
   18PA   Ch47913484  -6.158   4.320  -2.789
   18PA    H48013485  -6.080   4.292  -2.719
   18PA    H48113486  -6.168   4.428  -2.794
   18PA   Ch48213487  -6.285   4.253  -2.738
   18PA    H48313488  -6.236   4.156  -2.748
   18PA    H48413489  -6.384   4.256  -2.784
   18PA   Ch48513490  -6.290   4.272  -2.587
   18PA    H48613491  -6.364   4.198  -2.555
   18PA    H48713492  -6.195   4.227  -2.559
   18PA   Ch48813493  -6.317   4.411  -2.531
   18PA    H48913494  -6.260   4.496  -2.569
   18PA    H49013495  -6.279   4.409  -2.429
   18PA    N49113496  -6.457   4.445  -2.544
   18PA   Hn49213497  -6.516   4.363  -2.548
   18PA   Ca49313498  -6.530   4.549  -2.587
   18PA    O49413499  -6.511   4.666  -2.554
   18PA   Ch49513500  -6.621   4.506  -2.701
   18PA    H49613501  -6.674   4.415  -2.671
   18PA    H49713502  -6.714   4.563  -2.710
   18PA   Ch49813503  -6.557   4.517  -2.838
   18PA    H49913504  -6.456   4.476  -2.826
   18PA    H50013505  -6.546   4.614  -2.887
   18PA   Ch50113506  -6.617   4.437  -2.953
   18PA    H50213507  -6.646   4.341  -2.912
   18PA    H50313508  -6.721   4.467  -2.959
   18PA   Ch50413509  -6.542   4.450  -3.086
   18PA    H50513510  -6.435   4.439  -3.073
   18PA    H50613511  -6.572   4.551  -3.114
   18PA   Ca50713512  -6.597   4.372  -3.205
   18PA    O50813513  -6.522   4.364  -3.302
   18PA    N50913514  -6.729   4.356  -3.213
   18PA   Hn51013515  -6.767   4.448  -3.195
   18PA   Ch51113516  -6.803   4.234  -3.184
   18PA    H51213517  -6.751   4.140  -3.166
   18PA    H51313518  -6.874   4.254  -3.104
   18PA   Ch51413519  -6.890   4.202  -3.304
   18PA    H51513520  -6.823   4.177  -3.387
   18PA    H51613521  -6.962   4.279  -3.334
   18PA   Ch51713522  -6.977   4.081  -3.272
   18PA    H51813523  -6.933   4.008  -3.204
   18PA    H51913524  -7.074   4.115  -3.235
   18PA   Ch52013525  -7.011   3.996  -3.394
   18PA    H52113526  -6.929   3.924  -3.392
   18PA    H52213527  -7.010   4.032  -3.497
   18PA   Ch52313528  -7.139   3.916  -3.373
   18PA    H52413529  -7.096   3.830  -3.321
   18PA    H52513530  -7.225   3.951  -3.316
   18PA   Ch52613531  -7.209   3.881  -3.504
   18PA    H52713532  -7.160   3.820  -3.580
   18PA    H52813533  -7.224   3.965  -3.572
   18PA    N52913534  -7.344   3.831  -3.487
   18PA   Hn53013535  -7.355   3.734  -3.457
   18PA   Ca53113536  -7.462   3.870  -3.535
   18PA    O53213537  -7.516   3.803  -3.622
   18PA   Ch53313538  -7.548   3.951  -3.438
   18PA    H53413539  -7.507   3.924  -3.340
   18PA    H53513540  -7.511   4.047  -3.473
   18PA   Ch53613541  -7.699   3.969  -3.442
   18PA    H53713542  -7.718   3.863  -3.428
   18PA    H53813543  -7.726   3.991  -3.546
   18PA   Ch53913544  -7.776   4.044  -3.334
   18PA    H54013545  -7.882   4.030  -3.354
   18PA    H54113546  -7.740   4.024  -3.233
   18PA   Ch54213547  -7.739   4.192  -3.326
   18PA    H54313548  -7.666   4.210  -3.405
   18PA    H54413549  -7.671   4.208  -3.243
   18PA   Ca54513550  -7.856   4.285  -3.297
   18PA    O54613551  -7.920   4.342  -3.385
   18PA    N54713552  -7.891   4.306  -3.170
   18PA   Hn54813553  -7.890   4.211  -3.134
   18PA   Ch54913554  -7.844   4.420  -3.094
   18PA    H55013555  -7.796   4.490  -3.163
   18PA    H55113556  -7.915   4.485  -3.042
   18PA   Ch55213557  -7.778   4.366  -2.968
   18PA    H55313558  -7.731   4.269  -2.984
   18PA    H55413559  -7.846   4.355  -2.885
   18PA   Ch55513560  -7.663   4.455  -2.922
   18PA    H55613561  -7.604   4.476  -3.011
   18PA    H55713562  -7.708   4.554  -2.911
   18PA   Ch55813563  -7.560   4.397  -2.825
   18PA    H55913564  -7.464   4.386  -2.874
   18PA    H56013565  -7.592   4.311  -2.766
   18PA   Ch56113566  -7.522   4.507  -2.726
   18PA    H56213567  -7.470   4.597  -2.758
   18PA    H56313568  -7.609   4.559  -2.685
   18PA   Ch56413569  -7.423   4.449  -2.625
   18PA    H56513570  -7.379   4.539  -2.581
   18PA    H56613571  -7.349   4.389  -2.678
   18PA    N56713572  -7.482   4.384  -2.510
   18PA   Hn56813573  -7.544   4.308  -2.535
   18PA   Ca56913574  -7.478   4.416  -2.380
   18PA    O57013575  -7.549   4.511  -2.350
   18PA   Ch57113576  -7.366   4.354  -2.297
   18PA    H57213577  -7.363   4.249  -2.323
   18PA    H57313578  -7.273   4.388  -2.341
   18PA   Ch57413579  -7.352   4.378  -2.147
   18PA    H57513580  -7.430   4.314  -2.105
   18PA    H57613581  -7.384   4.471  -2.100
   18PA   Ch57713582  -7.221   4.337  -2.080
   18PA    H57813583  -7.206   4.382  -1.982
   18PA    H57913584  -7.229   4.230  -2.061
   18PA   Ch58013585  -7.088   4.367  -2.148
   18PA    H58113586  -7.020   4.384  -2.064
   18PA    H58213587  -7.098   4.450  -2.217
   18PA   Ca58313588  -7.015   4.259  -2.227
   18PA    O58413589  -7.073   4.222  -2.329
   18PA    N58513590  -6.888   4.227  -2.205
   18PA   Hn58613591  -6.885   4.210  -2.105
   18PA   Ch58713592  -6.781   4.282  -2.287
   18PA    H58813593  -6.725   4.194  -2.317
   18PA    H58913594  -6.796   4.349  -2.372
   18PA   Ch59013595  -6.712   4.358  -2.175
   18PA    H59113596  -6.678   4.302  -2.088
   18PA    H59213597  -6.784   4.432  -2.141
   18PA   Ch59313598  -6.588   4.429  -2.229
   18PA    H59413599  -6.530   4.348  -2.273
   18PA    H59513600  -6.609   4.496  -2.313
   18PA   Ch59613601  -6.509   4.499  -2.119
   18PA    H59713602  -6.484   4.441  -2.030
   18PA    H59813603  -6.573   4.575  -2.074
   18PA   Ch59913604  -6.385   4.575  -2.165
   18PA    H60013605  -6.322   4.513  -2.229
   18PA    H60113606  -6.419   4.649  -2.238
   18PA   Ch60213607  -6.314   4.633  -2.044
   18PA    H60313608  -6.232   4.569  -2.015
   18PA    H60413609  -6.373   4.648  -1.953
   18PA    N60513610  -6.237   4.747  -2.090
   18PA   Hn60613611  -6.157   4.736  -2.150
   18PA   Ca60713612  -6.199   4.848  -2.011
   18PA    O60813613  -6.286   4.913  -1.955
   18PA   Ch60913614  -6.052   4.837  -1.973
   18PA    H61013615  -6.064   4.823  -1.866
   18PA    H61113616  -5.990   4.757  -2.014
   18PA   Ch61213617  -5.956   4.951  -2.006
   18PA    H61313618  -6.026   5.028  -2.038
   18PA    H61413619  -5.904   4.920  -2.097
   18PA   Ch61513620  -5.872   5.017  -1.898
   18PA    H61613621  -5.912   5.013  -1.796
   18PA    H61713622  -5.790   4.945  -1.900
   18PA   Ch61813623  -5.787   5.135  -1.942
   18PA    H61913624  -5.873   5.188  -1.984
   18PA    H62013625  -5.737   5.103  -2.033
   18PA   Ca62113626  -5.702   5.219  -1.847
   18PA    O62213627  -5.583   5.203  -1.822
   18PA    N62313628  -5.767   5.311  -1.775
   18PA   Hn62413629  -5.779   5.386  -1.841
   18PA   Ch62513630  -5.845   5.296  -1.655
   18PA    H62613631  -5.921   5.373  -1.670
   18PA    H62713632  -5.887   5.198  -1.630
   18PA   Ch62813633  -5.766   5.354  -1.538
   18PA    H62913634  -5.727   5.456  -1.540
   18PA    H63013635  -5.676   5.295  -1.525
   18PA   Ch63113636  -5.860   5.349  -1.418
   18PA    H63213637  -5.884   5.454  -1.403
   18PA    H63313638  -5.958   5.309  -1.443
   18PA   Ch63413639  -5.812   5.298  -1.282
   18PA    H63513640  -5.875   5.336  -1.201
   18PA    H63613641  -5.710   5.321  -1.253
   18PA   Ch63713642  -5.848   5.154  -1.249
   18PA    H63813643  -5.950   5.150  -1.213
   18PA    H63913644  -5.855   5.095  -1.341
   18PA   Ch64013645  -5.746   5.072  -1.171
   18PA    H64113646  -5.667   5.138  -1.133
   18PA    H64213647  -5.684   5.013  -1.240
   18PA    N64313648  -5.807   4.996  -1.064
   18PA   Hn64413649  -5.897   4.954  -1.082
   18PA   Ca64513650  -5.749   4.913  -0.978
   18PA    O64613651  -5.733   4.953  -0.862
   18PA   Ch64713652  -5.759   4.764  -1.007
   18PA    H64813653  -5.712   4.720  -0.919
   18PA    H64913654  -5.865   4.746  -0.995
   18PA   Ch65013655  -5.676   4.731  -1.131
   18PA    H65113656  -5.573   4.759  -1.153
   18PA    H65213657  -5.751   4.765  -1.202
   18PA   Ch65313658  -5.674   4.580  -1.143
   18PA    H65413659  -5.629   4.537  -1.053
   18PA    H65513660  -5.777   4.546  -1.130
   18PA   Ch65613661  -5.629   4.514  -1.272
   18PA    H65713662  -5.604   4.409  -1.256
   18PA    H65813663  -5.535   4.556  -1.309
   18PA   Ca65913664  -5.739   4.523  -1.377
   18PA    O66013665  -5.686   4.540  -1.486
   18PA    N66113666  -5.862   4.479  -1.348
   18PA   Hn66213667  -5.887   4.515  -1.257
   18PA   Ch66313668  -5.934   4.365  -1.402
   18PA    H66413669  -6.026   4.396  -1.351
   18PA    H66513670  -5.945   4.370  -1.511
   18PA   Ch66613671  -5.872   4.237  -1.346
   18PA    H66713672  -5.879   4.238  -1.238
   18PA    H66813673  -5.769   4.234  -1.383
   18PA   Ch66913674  -5.944   4.106  -1.370
   18PA    H67013675  -6.047   4.128  -1.339
   18PA    H67113676  -5.944   4.092  -1.477
   18PA   Ch67213677  -5.900   3.980  -1.296
   18PA    H67313678  -5.901   4.026  -1.197
   18PA    H67413679  -5.799   3.952  -1.326
   18PA   Ch67513680  -5.994   3.861  -1.311
   18PA    H67613681  -6.099   3.878  -1.289
   18PA    H67713682  -6.008   3.826  -1.414
   18PA   Ch67813683  -5.936   3.755  -1.218
   18PA    H67913684  -5.871   3.782  -1.134
   18PA    H68013685  -5.886   3.682  -1.282
   18PA    N68113686  -6.046   3.677  -1.166
   18PA   Hn68213687  -6.132   3.675  -1.220
   18PA   Ca68313688  -6.062   3.588  -1.068
   18PA    O68413689  -6.047   3.634  -0.954
   18PA   Ch68513690  -6.077   3.442  -1.108
   18PA    H68613691  -6.129   3.396  -1.024
   18PA    H68713692  -6.141   3.414  -1.191
   18PA   Ch68813693  -5.950   3.359  -1.100
   18PA    H68913694  -5.906   3.348  -1.000
   18PA    H69013695  -5.857   3.409  -1.130
   18PA   Ch69113696  -5.953   3.216  -1.152
   18PA    H69213697  -5.850   3.185  -1.171
   18PA    H69313698  -5.997   3.132  -1.099
   18PA   Ch69413699  -6.019   3.190  -1.286
   18PA    H69513700  -6.022   3.283  -1.343
   18PA    H69613701  -6.125   3.177  -1.263
   18PA   Ca69713702  -5.983   3.066  -1.366
   18PA    O69813703  -6.019   2.951  -1.341
   18PA    N69913704  -5.922   3.078  -1.484
   18PA   Hn70013705  -5.946   3.176  -1.488
   18PA   Ch70113706  -5.782   3.058  -1.516
   18PA    H70213707  -5.718   3.078  -1.430
   18PA    H70313708  -5.761   2.951  -1.526
   18PA   Ch70413709  -5.728   3.138  -1.633
   18PA    H70513710  -5.794   3.225  -1.629
   18PA    H70613711  -5.776   3.083  -1.714
   18PA   Ch70713712  -5.577   3.158  -1.628
   18PA    H70813713  -5.561   3.260  -1.595
   18PA    H70913714  -5.516   3.107  -1.554
   18PA   Ch71013715  -5.505   3.118  -1.756
   18PA    H71113716  -5.499   3.207  -1.820
   18PA    H71213717  -5.561   3.057  -1.827
   18PA   Ch71313718  -5.359   3.074  -1.748
   18PA    H71413719  -5.310   3.169  -1.724
   18PA    H71513720  -5.342   2.998  -1.672
   18PA   Ch71613721  -5.303   3.027  -1.882
   18PA    H71713722  -5.205   3.074  -1.893
   18PA    H71813723  -5.365   3.053  -1.968
   18PA    N71913724  -5.274   2.885  -1.877
   18PA   Hn72013725  -5.252   2.856  -1.783
   18PA   Ca72113726  -5.344   2.786  -1.933
   18PA    O72213727  -5.336   2.771  -2.055
   18PA   Ch72313728  -5.421   2.697  -1.837
   18PA    H72413729  -5.474   2.751  -1.759
   18PA    H72513730  -5.502   2.662  -1.902
   18PA   Ch72613731  -5.343   2.571  -1.801
   18PA    H72713732  -5.392   2.510  -1.725
   18PA    H72813733  -5.247   2.581  -1.751
   18PA   Ch72913734  -5.322   2.473  -1.915
   18PA    H73013735  -5.395   2.474  -1.997
   18PA    H73113736  -5.226   2.515  -1.944
   18PA   Ch73213737  -5.316   2.326  -1.874
   18PA    H73313738  -5.399   2.302  -1.809
   18PA    H73413739  -5.238   2.331  -1.797
   18PA   Ca73513740  -5.276   2.234  -1.988
   18PA    O73613741  -5.156   2.219  -2.010
   18PA    N73713742  -5.367   2.137  -2.008
   18PA   Hn73813743  -5.449   2.190  -2.033
   18PA   Ch73913744  -5.373   1.996  -1.977
   18PA    H74013745  -5.432   1.939  -2.049
   18PA    H74113746  -5.269   1.966  -1.965
   18PA   Ch74213747  -5.442   1.995  -1.841
   18PA    H74313748  -5.382   2.041  -1.763
   18PA    H74413749  -5.426   1.889  -1.817
   18PA   Ch74513750  -5.594   2.010  -1.843
   18PA    H74613751  -5.641   2.027  -1.746
   18PA    H74713752  -5.606   2.095  -1.909
   18PA   Ch74813753  -5.672   1.896  -1.907
   18PA    H74913754  -5.622   1.800  -1.888
   18PA    H75013755  -5.670   1.886  -2.015
   18PA   Ch75113756  -5.815   1.864  -1.865
   18PA    H75213757  -5.877   1.952  -1.852
   18PA    H75313758  -5.865   1.804  -1.942
   18PA   Ch75413759  -5.833   1.771  -1.746
   18PA    H75513760  -5.752   1.784  -1.673
   18PA    H75613761  -5.844   1.671  -1.786
   18PA    N75713762  -5.956   1.795  -1.674
   18PA   Hn75813763  -6.052   1.786  -1.704
   18PA   Ca75913764  -5.990   1.782  -1.545
   18PA    O76013765  -5.927   1.835  -1.455
   18PA   Ch76113766  -6.059   1.653  -1.503
   18PA    H76213767  -6.167   1.671  -1.497
   18PA    H76313768  -6.027   1.576  -1.573
   18PA    H76413769  -4.677   5.973  -3.194
   18PA    H76513770  -6.029   1.613  -1.407
   19PA     Ch113771   6.928 -14.812   5.417
   19PA      H213772   6.844 -14.766   5.365
   19PA      H313773   6.951 -14.804   5.524
   19PA     Ch413774   7.035 -14.727   5.350
   19PA      H513775   7.112 -14.736   5.427
   19PA      H613776   7.011 -14.621   5.357
   19PA     Ch713777   7.068 -14.756   5.204
   19PA      H813778   7.052 -14.857   5.169
   19PA      H913779   6.995 -14.709   5.138
   19PA    Ch1013780   7.201 -14.694   5.162
   19PA     H1113781   7.295 -14.719   5.212
   19PA     H1213782   7.213 -14.591   5.196
   19PA    Ca1313783   7.261 -14.719   5.024
   19PA     O1413784   7.301 -14.620   4.962
   19PA     N1513785   7.292 -14.839   4.977
   19PA    Hn1613786   7.208 -14.895   4.971
   19PA    Ch1713787   7.408 -14.918   4.937
   19PA     H1813788   7.492 -14.857   4.902
   19PA     H1913789   7.438 -14.987   5.015
   19PA    Ch2013790   7.361 -15.000   4.818
   19PA     H2113791   7.345 -14.935   4.731
   19PA     H2213792   7.267 -15.055   4.826
   19PA    Ch2313793   7.469 -15.084   4.751
   19PA     H2413794   7.443 -15.130   4.656
   19PA     H2513795   7.546 -15.011   4.727
   19PA    Ch2613796   7.545 -15.193   4.827
   19PA     H2713797   7.482 -15.274   4.862
   19PA     H2813798   7.577 -15.151   4.922
   19PA    Ch2913799   7.680 -15.232   4.767
   19PA     H3013800   7.681 -15.237   4.659
   19PA     H3113801   7.732 -15.137   4.774
   19PA    Ch3213802   7.762 -15.356   4.802
   19PA     H3313803   7.840 -15.380   4.729
   19PA     H3413804   7.706 -15.446   4.777
   19PA     N3513805   7.825 -15.350   4.933
   19PA    Hn3613806   7.818 -15.443   4.971
   19PA    Ca3713807   7.957 -15.346   4.947
   19PA     O3813808   8.024 -15.249   4.985
   19PA    Ch3913809   8.025 -15.480   4.972
   19PA     H4013810   8.123 -15.484   5.018
   19PA     H4113811   7.973 -15.529   5.055
   19PA    Ch4213812   8.035 -15.593   4.870
   19PA     H4313813   8.094 -15.566   4.782
   19PA     H4413814   7.939 -15.589   4.817
   19PA    Ch4513815   8.062 -15.734   4.919
   19PA     H4613816   8.140 -15.728   4.994
   19PA     H4713817   7.969 -15.759   4.970
   19PA    Ch4813818   8.084 -15.848   4.820
   19PA     H4913819   7.991 -15.880   4.774
   19PA     H5013820   8.115 -15.928   4.888
   19PA    Ca5113821   8.192 -15.819   4.716
   19PA     O5213822   8.171 -15.778   4.602
   19PA     N5313823   8.319 -15.844   4.746
   19PA    Hn5413824   8.329 -15.828   4.846
   19PA    Ch5513825   8.429 -15.924   4.694
   19PA     H5613826   8.391 -16.025   4.708
   19PA     H5713827   8.438 -15.919   4.586
   19PA    Ch5813828   8.558 -15.913   4.775
   19PA     H5913829   8.598 -16.013   4.792
   19PA     H6013830   8.537 -15.868   4.872
   19PA    Ch6113831   8.670 -15.827   4.720
   19PA     H6213832   8.698 -15.879   4.628
   19PA     H6313833   8.658 -15.725   4.682
   19PA    Ch6413834   8.805 -15.810   4.789
   19PA     H6513835   8.865 -15.763   4.711
   19PA     H6613836   8.829 -15.916   4.798
   19PA    Ch6713837   8.817 -15.767   4.934
   19PA     H6813838   8.726 -15.714   4.964
   19PA     H6913839   8.782 -15.856   4.986
   19PA    Ch7013840   8.952 -15.709   4.975
   19PA     H7113841   9.028 -15.691   4.899
   19PA     H7213842   9.006 -15.792   5.020
   19PA     N7313843   8.940 -15.591   5.058
   19PA    Hn7413844   8.906 -15.513   5.003
   19PA    Ca7513845   8.949 -15.563   5.188
   19PA     O7613846   9.058 -15.570   5.244
   19PA    Ch7713847   8.812 -15.543   5.252
   19PA     H7813848   8.760 -15.486   5.175
   19PA     H7913849   8.786 -15.643   5.286
   19PA    Ch8013850   8.820 -15.444   5.369
   19PA     H8113851   8.865 -15.509   5.444
   19PA     H8213852   8.894 -15.365   5.361
   19PA    Ch8313853   8.683 -15.382   5.394
   19PA     H8413854   8.651 -15.348   5.296
   19PA     H8513855   8.622 -15.472   5.389
   19PA    Ch8613856   8.663 -15.270   5.495
   19PA     H8713857   8.638 -15.179   5.440
   19PA     H8813858   8.757 -15.263   5.549
   19PA    Ca8913859   8.555 -15.306   5.596
   19PA     O9013860   8.588 -15.383   5.686
   19PA     N9113861   8.449 -15.225   5.581
   19PA    Hn9213862   8.398 -15.229   5.494
   19PA    Ch9313863   8.395 -15.113   5.654
   19PA     H9413864   8.468 -15.089   5.731
   19PA     H9513865   8.364 -15.029   5.594
   19PA    Ch9613866   8.264 -15.165   5.714
   19PA     H9713867   8.305 -15.240   5.782
   19PA     H9813868   8.204 -15.236   5.657
   19PA    Ch9913869   8.184 -15.064   5.795
   19PA    H10013870   8.240 -15.077   5.888
   19PA    H10113871   8.214 -14.961   5.780
   19PA   Ch10213872   8.037 -15.106   5.807
   19PA    H10313873   8.020 -15.213   5.794
   19PA    H10413874   7.991 -15.048   5.727
   19PA   Ch10513875   7.949 -15.055   5.920
   19PA    H10613876   7.993 -15.083   6.015
   19PA    H10713877   7.968 -14.947   5.919
   19PA   Ch10813878   7.801 -15.080   5.893
   19PA    H10913879   7.759 -15.150   5.966
   19PA    H11013880   7.768 -15.113   5.794
   19PA    N11113881   7.730 -14.955   5.913
   19PA   Hn11213882   7.774 -14.879   5.962
   19PA   Ca11313883   7.605 -14.919   5.885
   19PA    O11413884   7.518 -15.006   5.887
   19PA   Ch11513885   7.596 -14.818   5.772
   19PA    H11613886   7.695 -14.787   5.736
   19PA    H11713887   7.570 -14.873   5.681
   19PA   Ch11813888   7.527 -14.683   5.789
   19PA    H11913889   7.593 -14.620   5.848
   19PA    H12013890   7.444 -14.684   5.859
   19PA   Ch12113891   7.474 -14.628   5.657
   19PA    H12213892   7.468 -14.704   5.579
   19PA    H12313893   7.377 -14.581   5.675
   19PA   Ch12413894   7.570 -14.536   5.582
   19PA    H12513895   7.671 -14.574   5.599
   19PA    H12613896   7.557 -14.436   5.623
   19PA   Ca12713897   7.554 -14.520   5.432
   19PA    O12813898   7.439 -14.526   5.390
   19PA    N12913899   7.653 -14.558   5.351
   19PA   Hn13013900   7.740 -14.529   5.394
   19PA   Ch13113901   7.669 -14.684   5.280
   19PA    H13213902   7.733 -14.744   5.345
   19PA    H13313903   7.573 -14.731   5.260
   19PA   Ch13413904   7.732 -14.651   5.146
   19PA    H13513905   7.815 -14.581   5.143
   19PA    H13613906   7.650 -14.606   5.089
   19PA   Ch13713907   7.776 -14.780   5.079
   19PA    H13813908   7.854 -14.834   5.132
   19PA    H13913909   7.703 -14.860   5.093
   19PA   Ch14013910   7.837 -14.776   4.939
   19PA    H14113911   7.891 -14.696   4.889
   19PA    H14213912   7.747 -14.803   4.884
   19PA   Ch14313913   7.921 -14.900   4.913
   19PA    H14413914   7.980 -14.953   4.989
   19PA    H14513915   7.838 -14.971   4.919
   19PA   Ch14613916   7.974 -14.908   4.771
   19PA    H14713917   7.924 -14.841   4.701
   19PA    H14813918   7.956 -15.005   4.723
   19PA    N14913919   8.112 -14.864   4.783
   19PA   Hn15013920   8.162 -14.883   4.868
   19PA   Ca15113921   8.198 -14.845   4.682
   19PA    O15213922   8.219 -14.735   4.632
   19PA   Ch15313923   8.297 -14.952   4.638
   19PA    H15413924   8.266 -15.053   4.665
   19PA    H15513925   8.302 -14.961   4.529
   19PA   Ch15613926   8.437 -14.942   4.698
   19PA    H15713927   8.491 -15.026   4.740
   19PA    H15813928   8.428 -14.878   4.786
   19PA   Ch15913929   8.521 -14.858   4.602
   19PA    H16013930   8.554 -14.934   4.531
   19PA    H16113931   8.462 -14.778   4.558
   19PA   Ch16213932   8.632 -14.777   4.668
   19PA    H16313933   8.684 -14.820   4.753
   19PA    H16413934   8.596 -14.702   4.738
   19PA   Ca16513935   8.736 -14.696   4.593
   19PA    O16613936   8.765 -14.578   4.613
   19PA    N16713937   8.824 -14.773   4.529
   19PA   Hn16813938   8.781 -14.822   4.452
   19PA   Ch16913939   8.958 -14.816   4.567
   19PA    H17013940   8.995 -14.779   4.471
   19PA    H17113941   9.008 -14.744   4.631
   19PA   Ch17213942   8.992 -14.964   4.580
   19PA    H17313943   8.987 -15.007   4.480
   19PA    H17413944   8.920 -15.014   4.646
   19PA   Ch17513945   9.137 -14.988   4.619
   19PA    H17613946   9.190 -14.941   4.536
   19PA    H17713947   9.181 -14.912   4.684
   19PA   Ch17813948   9.210 -15.121   4.611
   19PA    H17913949   9.214 -15.137   4.503
   19PA    H18013950   9.151 -15.195   4.666
   19PA   Ch18113951   9.357 -15.120   4.651
   19PA    H18213952   9.364 -15.040   4.726
   19PA    H18313953   9.393 -15.211   4.698
   19PA   Ch18413954   9.453 -15.080   4.540
   19PA    H18513955   9.441 -14.975   4.512
   19PA    H18613956   9.420 -15.141   4.455
   19PA    N18713957   9.579 -15.142   4.572
   19PA   Hn18813958   9.592 -15.229   4.521
   19PA   Ca18913959   9.707 -15.112   4.595
   19PA    O19013960   9.730 -15.018   4.670
   19PA   Ch19113961   9.811 -15.138   4.487
   19PA    H19213962   9.908 -15.101   4.521
   19PA    H19313963   9.849 -15.238   4.467
   19PA   Ch19413964   9.772 -15.063   4.360
   19PA    H19513965   9.756 -14.955   4.357
   19PA    H19613966   9.676 -15.102   4.326
   19PA   Ch19713967   9.863 -15.093   4.242
   19PA    H19813968   9.876 -15.201   4.243
   19PA    H19913969   9.808 -15.080   4.149
   19PA   Ch20013970   9.995 -15.018   4.230
   19PA    H20113971  10.083 -15.081   4.220
   19PA    H20213972  10.026 -14.958   4.315
   19PA   Ca20313973   9.997 -14.926   4.109
   19PA    O20413974  10.014 -14.963   3.993
   19PA    N20513975   9.921 -14.817   4.122
   19PA   Hn20613976   9.846 -14.852   4.181
   19PA   Ch20713977   9.981 -14.687   4.144
   19PA    H20813978  10.064 -14.691   4.215
   19PA    H20913979  10.010 -14.659   4.043
   19PA   Ch21013980   9.890 -14.592   4.221
   19PA    H21113981   9.803 -14.637   4.268
   19PA    H21213982   9.847 -14.505   4.171
   19PA   Ch21313983   9.951 -14.528   4.345
   19PA    H21413984  10.034 -14.570   4.403
   19PA    H21513985   9.996 -14.433   4.314
   19PA   Ch21613986   9.856 -14.464   4.445
   19PA    H21713987   9.912 -14.436   4.535
   19PA    H21813988   9.771 -14.526   4.470
   19PA   Ch21913989   9.790 -14.338   4.392
   19PA    H22013990   9.888 -14.292   4.376
   19PA    H22113991   9.733 -14.346   4.299
   19PA   Ch22213992   9.719 -14.265   4.505
   19PA    H22313993   9.787 -14.262   4.590
   19PA    H22413994   9.636 -14.322   4.547
   19PA    N22513995   9.677 -14.138   4.448
   19PA   Hn22613996   9.755 -14.083   4.413
   19PA   Ca22713997   9.590 -14.051   4.499
   19PA    O22813998   9.469 -14.067   4.498
   19PA   Ch22913999   9.636 -13.907   4.520
   19PA    H23014000   9.577 -13.883   4.609
   19PA    H23114001   9.727 -13.894   4.579
   19PA   Ch23214002   9.587 -13.806   4.416
   19PA    H23314003   9.481 -13.791   4.438
   19PA    H23414004   9.606 -13.846   4.316
   19PA   Ch23514005   9.652 -13.670   4.436
   19PA    H23614006   9.758 -13.680   4.410
   19PA    H23714007   9.607 -13.615   4.354
   19PA   Ch23814008   9.639 -13.593   4.567
   19PA    H23914009   9.635 -13.664   4.650
   19PA    H24014010   9.564 -13.514   4.561
   19PA   Ca24114011   9.759 -13.504   4.595
   19PA    O24214012   9.861 -13.559   4.637
   19PA    N24314013   9.736 -13.373   4.599
   19PA   Hn24414014   9.683 -13.370   4.685
   19PA   Ch24514015   9.754 -13.267   4.501
   19PA    H24614016   9.855 -13.227   4.502
   19PA    H24714017   9.744 -13.308   4.400
   19PA   Ch24814018   9.667 -13.145   4.528
   19PA    H24914019   9.575 -13.171   4.579
   19PA    H25014020   9.621 -13.124   4.432
   19PA   Ch25114021   9.723 -13.027   4.606
   19PA    H25214022   9.748 -13.068   4.704
   19PA    H25314023   9.829 -13.007   4.586
   19PA   Ch25414024   9.628 -12.909   4.621
   19PA    H25514025   9.533 -12.939   4.667
   19PA    H25614026   9.593 -12.892   4.519
   19PA   Ch25714027   9.681 -12.796   4.708
   19PA    H25814028   9.785 -12.768   4.687
   19PA    H25914029   9.630 -12.704   4.679
   19PA   Ch26014030   9.667 -12.827   4.856
   19PA    H26114031   9.570 -12.867   4.887
   19PA    H26214032   9.748 -12.897   4.875
   19PA    N26314033   9.698 -12.713   4.940
   19PA   Hn26414034   9.739 -12.737   5.029
   19PA   Ca26514035   9.613 -12.614   4.971
   19PA    O26614036   9.591 -12.527   4.888
   19PA   Ch26714037   9.559 -12.598   5.112
   19PA    H26814038   9.641 -12.583   5.182
   19PA    H26914039   9.529 -12.493   5.116
   19PA   Ch27014040   9.443 -12.689   5.153
   19PA    H27114041   9.456 -12.783   5.099
   19PA    H27214042   9.356 -12.634   5.116
   19PA   Ch27314043   9.416 -12.713   5.301
   19PA    H27414044   9.488 -12.789   5.331
   19PA    H27514045   9.418 -12.616   5.352
   19PA   Ch27614046   9.286 -12.788   5.328
   19PA    H27714047   9.209 -12.713   5.344
   19PA    H27814048   9.284 -12.826   5.430
   19PA   Ca27914049   9.237 -12.909   5.249
   19PA    O28014050   9.318 -13.001   5.244
   19PA    N28114051   9.106 -12.935   5.251
   19PA   Hn28214052   9.053 -12.904   5.172
   19PA   Ch28314053   9.012 -13.013   5.329
   19PA    H28414054   8.946 -13.069   5.263
   19PA    H28514055   9.067 -13.083   5.393
   19PA   Ch28614056   8.909 -12.939   5.413
   19PA    H28714057   8.890 -12.850   5.353
   19PA    H28814058   8.950 -12.902   5.507
   19PA   Ch28914059   8.781 -13.016   5.443
   19PA    H29014060   8.735 -13.091   5.379
   19PA    H29114061   8.805 -13.064   5.538
   19PA   Ch29214062   8.665 -12.919   5.464
   19PA    H29314063   8.681 -12.836   5.395
   19PA    H29414064   8.667 -12.871   5.562
   19PA   Ch29514065   8.522 -12.968   5.454
   19PA    H29614066   8.505 -12.984   5.348
   19PA    H29714067   8.517 -13.071   5.491
   19PA   Ch29814068   8.413 -12.873   5.503
   19PA    H29914069   8.386 -12.796   5.430
   19PA    H30014070   8.442 -12.823   5.596
   19PA    N30114071   8.289 -12.943   5.530
   19PA   Hn30214072   8.261 -13.008   5.458
   19PA   Ca30314073   8.205 -12.918   5.630
   19PA    O30414074   8.131 -12.822   5.605
   19PA   Ch30514075   8.183 -13.011   5.748
   19PA    H30614076   8.078 -12.995   5.773
   19PA    H30714077   8.202 -13.113   5.713
   19PA   Ch30814078   8.258 -12.980   5.877
   19PA    H30914079   8.191 -13.014   5.956
   19PA    H31014080   8.273 -12.873   5.893
   19PA   Ch31114081   8.390 -13.051   5.907
   19PA    H31214082   8.429 -13.073   5.807
   19PA    H31314083   8.446 -12.960   5.927
   19PA   Ch31414084   8.393 -13.164   6.009
   19PA    H31514085   8.320 -13.132   6.083
   19PA    H31614086   8.465 -13.178   6.089
   19PA   Ca31714087   8.377 -13.301   5.944
   19PA    O31814088   8.457 -13.350   5.864
   19PA    N31914089   8.272 -13.370   5.988
   19PA   Hn32014090   8.177 -13.333   5.983
   19PA   Ch32114091   8.273 -13.479   6.083
   19PA    H32214092   8.316 -13.564   6.031
   19PA    H32314093   8.349 -13.451   6.156
   19PA   Ch32414094   8.138 -13.531   6.131
   19PA    H32514095   8.088 -13.601   6.064
   19PA    H32614096   8.070 -13.446   6.134
   19PA   Ch32714097   8.136 -13.597   6.268
   19PA    H32814098   8.160 -13.703   6.254
   19PA    H32914099   8.218 -13.565   6.331
   19PA   Ch33014100   7.997 -13.591   6.332
   19PA    H33114101   8.013 -13.674   6.401
   19PA    H33214102   7.929 -13.644   6.265
   19PA   Ch33314103   7.943 -13.476   6.416
   19PA    H33414104   7.937 -13.498   6.522
   19PA    H33514105   8.006 -13.390   6.394
   19PA   Ch33614106   7.794 -13.451   6.397
   19PA    H33714107   7.743 -13.537   6.442
   19PA    H33814108   7.777 -13.456   6.290
   19PA    N33914109   7.751 -13.318   6.435
   19PA   Hn34014110   7.819 -13.248   6.459
   19PA   Ca34114111   7.629 -13.269   6.411
   19PA    O34214112   7.526 -13.305   6.467
   19PA   Ch34314113   7.617 -13.132   6.346
   19PA    H34414114   7.531 -13.092   6.400
   19PA    H34514115   7.695 -13.059   6.369
   19PA   Ch34614116   7.577 -13.132   6.199
   19PA    H34714117   7.582 -13.028   6.164
   19PA    H34814118   7.472 -13.159   6.182
   19PA   Ch34914119   7.650 -13.223   6.102
   19PA    H35014120   7.625 -13.321   6.144
   19PA    H35114121   7.615 -13.222   5.999
   19PA   Ch35214122   7.802 -13.218   6.092
   19PA    H35314123   7.810 -13.327   6.101
   19PA    H35414124   7.839 -13.167   6.180
   19PA   Ca35514125   7.889 -13.161   5.980
   19PA    O35614126   7.984 -13.225   5.937
   19PA    N35714127   7.820 -13.080   5.899
   19PA   Hn35814128   7.724 -13.111   5.902
   19PA   Ch35914129   7.835 -12.936   5.887
   19PA    H36014130   7.795 -12.883   5.973
   19PA    H36114131   7.928 -12.889   5.856
   19PA   Ch36214132   7.748 -12.896   5.769
   19PA    H36314133   7.671 -12.968   5.743
   19PA    H36414134   7.806 -12.899   5.676
   19PA   Ch36514135   7.712 -12.750   5.747
   19PA    H36614136   7.679 -12.711   5.843
   19PA    H36714137   7.803 -12.695   5.720
   19PA   Ch36814138   7.598 -12.732   5.647
   19PA    H36914139   7.526 -12.654   5.673
   19PA    H37014140   7.538 -12.816   5.614
   19PA   Ch37114141   7.661 -12.690   5.515
   19PA    H37214142   7.750 -12.746   5.485
   19PA    H37314143   7.598 -12.722   5.431
   19PA   Ch37414144   7.706 -12.545   5.502
   19PA    H37514145   7.811 -12.550   5.473
   19PA    H37614146   7.692 -12.486   5.593
   19PA    N37714147   7.663 -12.472   5.384
   19PA   Hn37814148   7.725 -12.482   5.305
   19PA   Ca37914149   7.605 -12.353   5.368
   19PA    O38014150   7.490 -12.344   5.413
   19PA   Ch38114151   7.695 -12.231   5.355
   19PA    H38214152   7.698 -12.175   5.449
   19PA    H38314153   7.791 -12.270   5.322
   19PA   Ch38414154   7.639 -12.144   5.244
   19PA    H38514155   7.667 -12.044   5.277
   19PA    H38614156   7.531 -12.139   5.251
   19PA   Ch38714157   7.717 -12.161   5.114
   19PA    H38814158   7.820 -12.144   5.144
   19PA    H38914159   7.715 -12.265   5.082
   19PA   Ch39014160   7.684 -12.071   4.995
   19PA    H39114161   7.768 -12.064   4.927
   19PA    H39214162   7.687 -11.963   5.008
   19PA   Ca39314163   7.554 -12.090   4.919
   19PA    O39414164   7.464 -12.005   4.915
   19PA    N39514165   7.550 -12.179   4.819
   19PA   Hn39614166   7.573 -12.267   4.862
   19PA   Ch39714167   7.561 -12.165   4.676
   19PA    H39814168   7.520 -12.068   4.648
   19PA    H39914169   7.667 -12.178   4.653
   19PA   Ch40014170   7.519 -12.307   4.637
   19PA    H40114171   7.421 -12.327   4.680
   19PA    H40214172   7.595 -12.371   4.683
   19PA   Ch40314173   7.489 -12.334   4.491
   19PA    H40414174   7.404 -12.291   4.437
   19PA    H40514175   7.596 -12.335   4.470
   19PA   Ch40614176   7.440 -12.478   4.487
   19PA    H40714177   7.347 -12.485   4.543
   19PA    H40814178   7.519 -12.536   4.535
   19PA   Ch40914179   7.419 -12.547   4.353
   19PA    H41014180   7.312 -12.553   4.333
   19PA    H41114181   7.468 -12.488   4.275
   19PA   Ch41214182   7.473 -12.690   4.346
   19PA    H41314183   7.387 -12.752   4.372
   19PA    H41414184   7.550 -12.729   4.412
   19PA    N41514185   7.506 -12.711   4.207
   19PA   Hn41614186   7.437 -12.705   4.134
   19PA   Ca41714187   7.598 -12.792   4.154
   19PA    O41814188   7.718 -12.773   4.167
   19PA   Ch41914189   7.546 -12.910   4.072
   19PA    H42014190   7.499 -12.882   3.978
   19PA    H42114191   7.637 -12.965   4.047
   19PA   Ch42214192   7.477 -13.022   4.148
   19PA    H42314193   7.494 -13.012   4.255
   19PA    H42414194   7.528 -13.116   4.124
   19PA   Ch42514195   7.331 -13.046   4.111
   19PA    H42614196   7.294 -12.949   4.147
   19PA    H42714197   7.297 -13.050   4.007
   19PA   Ch42814198   7.260 -13.162   4.180
   19PA    H42914199   7.264 -13.137   4.286
   19PA    H43014200   7.314 -13.256   4.176
   19PA   Ca43114201   7.119 -13.201   4.140
   19PA    O43214202   7.044 -13.226   4.234
   19PA    N43314203   7.087 -13.230   4.013
   19PA   Hn43414204   7.177 -13.240   3.969
   19PA   Ch43514205   7.010 -13.147   3.923
   19PA    H43614206   6.936 -13.101   3.989
   19PA    H43714207   7.078 -13.066   3.894
   19PA   Ch43814208   6.938 -13.234   3.822
   19PA    H43914209   6.990 -13.331   3.819
   19PA    H44014210   6.962 -13.191   3.724
   19PA   Ch44114211   6.794 -13.274   3.851
   19PA    H44214212   6.775 -13.381   3.837
   19PA    H44314213   6.758 -13.241   3.948
   19PA   Ch44414214   6.703 -13.182   3.772
   19PA    H44514215   6.742 -13.163   3.672
   19PA    H44614216   6.672 -13.081   3.803
   19PA   Ch44714217   6.563 -13.232   3.737
   19PA    H44814218   6.552 -13.333   3.699
   19PA    H44914219   6.502 -13.235   3.827
   19PA   Ch45014220   6.494 -13.146   3.632
   19PA    H45114221   6.492 -13.044   3.672
   19PA    H45214222   6.388 -13.172   3.630
   19PA    N45314223   6.544 -13.188   3.503
   19PA   Hn45414224   6.634 -13.233   3.493
   19PA   Ca45514225   6.466 -13.254   3.416
   19PA    O45614226   6.383 -13.199   3.345
   19PA   Ch45714227   6.460 -13.406   3.422
   19PA    H45814228   6.418 -13.436   3.326
   19PA    H45914229   6.542 -13.475   3.442
   19PA   Ch46014230   6.352 -13.469   3.509
   19PA    H46114231   6.265 -13.409   3.484
   19PA    H46214232   6.382 -13.427   3.605
   19PA   Ch46314233   6.342 -13.620   3.489
   19PA    H46414234   6.295 -13.594   3.394
   19PA    H46514235   6.436 -13.677   3.485
   19PA   Ch46614236   6.236 -13.704   3.558
   19PA    H46714237   6.201 -13.671   3.656
   19PA    H46814238   6.293 -13.794   3.584
   19PA   Ca46914239   6.128 -13.760   3.467
   19PA    O47014240   6.041 -13.683   3.426
   19PA    N47114241   6.108 -13.892   3.462
   19PA   Hn47214242   6.100 -13.939   3.551
   19PA   Ch47314243   6.158 -13.984   3.362
   19PA    H47414244   6.130 -13.953   3.262
   19PA    H47514245   6.266 -13.973   3.354
   19PA   Ch47614246   6.119 -14.125   3.406
   19PA    H47714247   6.067 -14.109   3.501
   19PA    H47814248   6.204 -14.179   3.449
   19PA   Ch47914249   6.041 -14.197   3.298
   19PA    H48014250   6.006 -14.298   3.321
   19PA    H48114251   5.964 -14.129   3.262
   19PA   Ch48214252   6.139 -14.221   3.185
   19PA    H48314253   6.206 -14.294   3.232
   19PA    H48414254   6.205 -14.151   3.134
   19PA   Ch48514255   6.073 -14.283   3.062
   19PA    H48614256   6.140 -14.359   3.023
   19PA    H48714257   5.989 -14.344   3.098
   19PA   Ch48814258   6.047 -14.184   2.949
   19PA    H48914259   6.131 -14.120   2.924
   19PA    H49014260   5.972 -14.112   2.983
   19PA    N49114261   5.981 -14.246   2.836
   19PA   Hn49214262   5.930 -14.328   2.869
   19PA   Ca49314263   5.911 -14.181   2.743
   19PA    O49414264   5.963 -14.158   2.634
   19PA   Ch49514265   5.760 -14.170   2.739
   19PA    H49614266   5.735 -14.179   2.845
   19PA    H49714267   5.755 -14.068   2.703
   19PA   Ch49814268   5.685 -14.272   2.653
   19PA    H49914269   5.711 -14.367   2.701
   19PA    H50014270   5.717 -14.242   2.554
   19PA   Ch50114271   5.535 -14.251   2.670
   19PA    H50214272   5.502 -14.151   2.643
   19PA    H50314273   5.487 -14.302   2.587
   19PA   Ch50414274   5.481 -14.273   2.811
   19PA    H50514275   5.463 -14.171   2.844
   19PA    H50614276   5.546 -14.333   2.875
   19PA   Ca50714277   5.339 -14.318   2.840
   19PA    O50814278   5.324 -14.345   2.959
   19PA    N50914279   5.246 -14.270   2.757
   19PA   Hn51014280   5.314 -14.243   2.687
   19PA   Ch51114281   5.131 -14.184   2.773
   19PA    H51214282   5.125 -14.145   2.875
   19PA    H51314283   5.159 -14.098   2.713
   19PA   Ch51414284   5.008 -14.260   2.722
   19PA    H51514285   5.013 -14.359   2.677
   19PA    H51614286   4.989 -14.212   2.626
   19PA   Ch51714287   4.880 -14.237   2.800
   19PA    H51814288   4.901 -14.245   2.906
   19PA    H51914289   4.832 -14.139   2.785
   19PA   Ch52014290   4.770 -14.343   2.793
   19PA    H52114291   4.740 -14.369   2.895
   19PA    H52214292   4.795 -14.443   2.759
   19PA   Ch52314293   4.635 -14.318   2.728
   19PA    H52414294   4.608 -14.219   2.765
   19PA    H52514295   4.656 -14.302   2.622
   19PA   Ch52614296   4.510 -14.404   2.736
   19PA    H52714297   4.509 -14.451   2.834
   19PA    H52814298   4.523 -14.472   2.652
   19PA    N52914299   4.381 -14.338   2.721
   19PA   Hn53014300   4.323 -14.394   2.662
   19PA   Ca53114301   4.324 -14.272   2.822
   19PA    O53214302   4.378 -14.164   2.848
   19PA   Ch53314303   4.199 -14.337   2.879
   19PA    H53414304   4.116 -14.312   2.813
   19PA    H53514305   4.211 -14.445   2.869
   19PA   Ch53614306   4.133 -14.309   3.013
   19PA    H53714307   4.084 -14.212   3.011
   19PA    H53814308   4.210 -14.305   3.090
   19PA   Ch53914309   4.029 -14.417   3.043
   19PA    H54014310   3.966 -14.424   2.954
   19PA    H54114311   4.082 -14.512   3.054
   19PA   Ch54214312   3.941 -14.395   3.166
   19PA    H54314313   3.912 -14.290   3.166
   19PA    H54414314   4.001 -14.415   3.255
   19PA   Ca54514315   3.821 -14.483   3.197
   19PA    O54614316   3.758 -14.462   3.301
   19PA    N54714317   3.819 -14.602   3.138
   19PA   Hn54814318   3.907 -14.646   3.163
   19PA   Ch54914319   3.767 -14.640   3.008
   19PA    H55014320   3.699 -14.563   2.971
   19PA    H55114321   3.843 -14.642   2.930
   19PA   Ch55214322   3.695 -14.772   3.033
   19PA    H55314323   3.594 -14.748   3.066
   19PA    H55414324   3.762 -14.812   3.110
   19PA   Ch55514325   3.682 -14.846   2.901
   19PA    H55614326   3.652 -14.773   2.825
   19PA    H55714327   3.776 -14.895   2.875
   19PA   Ch55814328   3.584 -14.962   2.889
   19PA    H55914329   3.590 -15.035   2.970
   19PA    H56014330   3.622 -15.010   2.798
   19PA   Ch56114331   3.442 -14.911   2.870
   19PA    H56214332   3.439 -14.822   2.933
   19PA    H56314333   3.439 -14.880   2.766
   19PA   Ch56414334   3.334 -15.011   2.913
   19PA    H56514335   3.354 -15.058   3.009
   19PA    H56614336   3.340 -15.103   2.855
   19PA    N56714337   3.206 -14.944   2.926
   19PA   Hn56814338   3.145 -14.986   2.995
   19PA   Ca56914339   3.117 -14.941   2.827
   19PA    O57014340   3.085 -14.839   2.767
   19PA   Ch57114341   3.014 -15.052   2.845
   19PA    H57214342   3.037 -15.136   2.910
   19PA    H57314343   2.927 -15.017   2.900
   19PA   Ch57414344   2.987 -15.119   2.712
   19PA    H57514345   2.978 -15.228   2.715
   19PA    H57614346   3.073 -15.115   2.645
   19PA   Ch57714347   2.862 -15.065   2.643
   19PA    H57814348   2.772 -15.104   2.690
   19PA    H57914349   2.864 -14.956   2.637
   19PA   Ch58014350   2.852 -15.105   2.496
   19PA    H58114351   2.953 -15.123   2.458
   19PA    H58214352   2.830 -15.006   2.456
   19PA   Ca58314353   2.740 -15.201   2.460
   19PA    O58414354   2.633 -15.152   2.422
   19PA    N58514355   2.763 -15.330   2.437
   19PA   Hn58614356   2.843 -15.364   2.489
   19PA   Ch58714357   2.775 -15.369   2.298
   19PA    H58814358   2.696 -15.327   2.234
   19PA    H58914359   2.874 -15.332   2.271
   19PA   Ch59014360   2.787 -15.516   2.263
   19PA    H59114361   2.716 -15.566   2.329
   19PA    H59214362   2.884 -15.555   2.293
   19PA   Ch59314363   2.759 -15.543   2.115
   19PA    H59414364   2.746 -15.647   2.084
   19PA    H59514365   2.681 -15.475   2.082
   19PA   Ch59614366   2.879 -15.490   2.037
   19PA    H59714367   2.968 -15.510   2.097
   19PA    H59814368   2.878 -15.381   2.034
   19PA   Ch59914369   2.919 -15.558   1.907
   19PA    H60014370   2.952 -15.655   1.943
   19PA    H60114371   2.825 -15.593   1.864
   19PA   Ch60214372   3.012 -15.489   1.808
   19PA    H60314373   3.099 -15.440   1.853
   19PA    H60414374   2.979 -15.393   1.766
   19PA    N60514375   3.052 -15.574   1.698
   19PA   Hn60614376   3.048 -15.666   1.739
   19PA   Ca60714377   3.140 -15.545   1.602
   19PA    O60814378   3.114 -15.538   1.482
   19PA   Ch60914379   3.285 -15.574   1.638
   19PA    H61014380   3.294 -15.620   1.737
   19PA    H61114381   3.304 -15.663   1.579
   19PA   Ch61214382   3.360 -15.443   1.623
   19PA    H61314383   3.424 -15.430   1.710
   19PA    H61414384   3.299 -15.356   1.594
   19PA   Ch61514385   3.444 -15.440   1.496
   19PA    H61614386   3.514 -15.516   1.531
   19PA    H61714387   3.368 -15.463   1.420
   19PA   Ch61814388   3.530 -15.317   1.473
   19PA    H61914389   3.590 -15.279   1.556
   19PA    H62014390   3.463 -15.232   1.464
   19PA   Ca62114391   3.627 -15.326   1.356
   19PA    O62214392   3.744 -15.359   1.377
   19PA    N62314393   3.588 -15.312   1.229
   19PA   Hn62414394   3.521 -15.237   1.226
   19PA   Ch62514395   3.590 -15.408   1.120
   19PA    H62614396   3.651 -15.496   1.138
   19PA    H62714397   3.486 -15.441   1.124
   19PA   Ch62814398   3.629 -15.327   0.997
   19PA    H62914399   3.737 -15.320   1.000
   19PA    H63014400   3.620 -15.218   0.987
   19PA   Ch63114401   3.567 -15.385   0.870
   19PA    H63214402   3.609 -15.329   0.787
   19PA    H63314403   3.606 -15.486   0.865
   19PA   Ch63414404   3.415 -15.380   0.858
   19PA    H63514405   3.392 -15.282   0.900
   19PA    H63614406   3.374 -15.466   0.911
   19PA   Ch63714407   3.337 -15.394   0.728
   19PA    H63814408   3.357 -15.498   0.702
   19PA    H63914409   3.230 -15.395   0.747
   19PA   Ch64014410   3.345 -15.298   0.609
   19PA    H64114411   3.450 -15.286   0.582
   19PA    H64214412   3.327 -15.193   0.634
   19PA    N64314413   3.276 -15.359   0.497
   19PA   Hn64414414   3.264 -15.458   0.512
   19PA   Ca64514415   3.275 -15.345   0.364
   19PA    O64614416   3.259 -15.237   0.309
   19PA   Ch64714417   3.349 -15.449   0.281
   19PA    H64814418   3.336 -15.539   0.341
   19PA    H64914419   3.277 -15.465   0.201
   19PA   Ch65014420   3.485 -15.419   0.220
   19PA    H65114421   3.564 -15.425   0.295
   19PA    H65214422   3.501 -15.314   0.191
   19PA   Ch65314423   3.535 -15.505   0.105
   19PA    H65414424   3.485 -15.467   0.017
   19PA    H65514425   3.637 -15.466   0.102
   19PA   Ch65614426   3.556 -15.656   0.113
   19PA    H65714427   3.464 -15.714   0.113
   19PA    H65814428   3.577 -15.686   0.215
   19PA   Ca65914429   3.647 -15.714   0.005
   19PA    O66014430   3.761 -15.731   0.048
   19PA    N66114431   3.581 -15.785  -0.087
   19PA   Hn66214432   3.550 -15.707  -0.144
   19PA   Ch66314433   3.533 -15.919  -0.116
   19PA    H66414434   3.611 -15.994  -0.108
   19PA    H66514435   3.463 -15.964  -0.045
   19PA   Ch66614436   3.475 -15.937  -0.256
   19PA    H66714437   3.555 -15.932  -0.330
   19PA    H66814438   3.410 -15.857  -0.292
   19PA   Ch66914439   3.389 -16.059  -0.282
   19PA    H67014440   3.430 -16.139  -0.220
   19PA    H67114441   3.288 -16.038  -0.246
   19PA   Ch67214442   3.385 -16.101  -0.429
   19PA    H67314443   3.470 -16.169  -0.436
   19PA    H67414444   3.422 -16.022  -0.495
   19PA   Ch67514445   3.260 -16.177  -0.469
   19PA    H67614446   3.245 -16.259  -0.397
   19PA    H67714447   3.174 -16.116  -0.442
   19PA   Ch67814448   3.265 -16.224  -0.613
   19PA    H67914449   3.365 -16.264  -0.634
   19PA    H68014450   3.226 -16.156  -0.689
   19PA    N68114451   3.189 -16.347  -0.624
   19PA   Hn68214452   3.169 -16.404  -0.543
   19PA   Ca68314453   3.080 -16.388  -0.688
   19PA    O68414454   3.074 -16.379  -0.810
   19PA   Ch68514455   2.963 -16.428  -0.598
   19PA    H68614456   2.886 -16.458  -0.669
   19PA    H68714457   2.981 -16.525  -0.553
   19PA   Ch68814458   2.909 -16.340  -0.486
   19PA    H68914459   2.992 -16.346  -0.416
   19PA    H69014460   2.833 -16.400  -0.436
   19PA   Ch69114461   2.865 -16.200  -0.529
   19PA    H69214462   2.940 -16.142  -0.582
   19PA    H69314463   2.792 -16.220  -0.608
   19PA   Ch69414464   2.798 -16.115  -0.422
   19PA    H69514465   2.811 -16.162  -0.324
   19PA    H69614466   2.689 -16.112  -0.416
   19PA   Ca69714467   2.841 -15.969  -0.424
   19PA    O69814468   2.777 -15.886  -0.488
   19PA    N69914469   2.948 -15.924  -0.358
   19PA   Hn70014470   3.002 -16.009  -0.366
   19PA   Ch70114471   2.976 -15.824  -0.256
   19PA    H70214472   3.067 -15.778  -0.294
   19PA    H70314473   2.902 -15.744  -0.248
   19PA   Ch70414474   3.017 -15.884  -0.122
   19PA    H70514475   3.108 -15.937  -0.150
   19PA    H70614476   2.936 -15.956  -0.113
   19PA   Ch70714477   3.054 -15.778  -0.019
   19PA    H70814478   3.043 -15.677  -0.059
   19PA    H70914479   2.970 -15.780   0.051
   19PA   Ch71014480   3.186 -15.799   0.055
   19PA    H71114481   3.212 -15.717   0.122
   19PA    H71214482   3.262 -15.802  -0.024
   19PA   Ch71314483   3.202 -15.932   0.127
   19PA    H71414484   3.190 -16.023   0.068
   19PA    H71514485   3.301 -15.951   0.168
   19PA   Ch71614486   3.103 -15.936   0.243
   19PA    H71714487   3.009 -15.952   0.191
   19PA    H71814488   3.086 -15.852   0.310
   19PA    N71914489   3.133 -16.048   0.330
   19PA   Hn72014490   3.231 -16.067   0.349
   19PA   Ca72114491   3.076 -16.108   0.435
   19PA    O72214492   3.015 -16.211   0.410
   19PA   Ch72314493   3.126 -16.061   0.571
   19PA    H72414494   3.200 -16.141   0.571
   19PA    H72514495   3.180 -15.967   0.561
   19PA   Ch72614496   3.023 -16.020   0.676
   19PA    H72714497   2.971 -16.116   0.686
   19PA    H72814498   2.936 -15.960   0.652
   19PA   Ch72914499   3.078 -15.976   0.811
   19PA    H73014500   3.065 -16.055   0.886
   19PA    H73114501   3.186 -15.973   0.805
   19PA   Ch73214502   3.028 -15.850   0.880
   19PA    H73314503   3.026 -15.840   0.989
   19PA    H73414504   2.920 -15.863   0.879
   19PA   Ca73514505   3.070 -15.713   0.829
   19PA    O73614506   3.186 -15.675   0.846
   19PA    N73714507   2.992 -15.649   0.741
   19PA   Hn73814508   2.906 -15.636   0.793
   19PA   Ch73914509   2.999 -15.612   0.601
   19PA    H74014510   3.031 -15.508   0.594
   19PA    H74114511   3.061 -15.686   0.551
   19PA   Ch74214512   2.860 -15.612   0.537
   19PA    H74314513   2.798 -15.529   0.570
   19PA    H74414514   2.808 -15.703   0.568
   19PA   Ch74514515   2.848 -15.593   0.386
   19PA    H74614516   2.920 -15.514   0.364
   19PA    H74714517   2.870 -15.688   0.338
   19PA   Ch74814518   2.720 -15.541   0.322
   19PA    H74914519   2.722 -15.438   0.357
   19PA    H75014520   2.626 -15.565   0.373
   19PA   Ch75114521   2.720 -15.563   0.172
   19PA    H75214522   2.816 -15.529   0.134
   19PA    H75314523   2.715 -15.671   0.158
   19PA   Ch75414524   2.598 -15.512   0.096
   19PA    H75514525   2.566 -15.422   0.149
   19PA    H75614526   2.520 -15.584   0.121
   19PA    N75714527   2.620 -15.498  -0.046
   19PA   Hn75814528   2.681 -15.428  -0.086
   19PA   Ca75914529   2.552 -15.537  -0.155
   19PA    O76014530   2.441 -15.491  -0.179
   19PA   Ch76114531   2.593 -15.664  -0.228
   19PA    H76214532   2.678 -15.711  -0.178
   19PA    H76314533   2.513 -15.733  -0.203
   19PA    H76414534   6.909 -14.918   5.402
   19PA    H76514535   2.589 -15.645  -0.335
   20PA     Ch114536   5.545   9.214   2.982
   20PA      H214537   5.640   9.225   3.035
   20PA      H314538   5.519   9.116   2.941
   20PA     Ch414539   5.519   9.332   2.889
   20PA      H514540   5.569   9.409   2.947
   20PA      H614541   5.419   9.375   2.878
   20PA     Ch714542   5.595   9.319   2.758
   20PA      H814543   5.653   9.407   2.727
   20PA      H914544   5.674   9.244   2.759
   20PA    Ch1014545   5.489   9.296   2.650
   20PA     H1114546   5.383   9.315   2.664
   20PA     H1214547   5.480   9.192   2.618
   20PA    Ca1314548   5.523   9.357   2.515
   20PA     O1414549   5.520   9.474   2.478
   20PA     N1514550   5.612   9.289   2.442
   20PA    Hn1614551   5.704   9.268   2.479
   20PA    Ch1714552   5.554   9.206   2.338
   20PA     H1814553   5.518   9.106   2.366
   20PA     H1914554   5.464   9.252   2.296
   20PA    Ch2014555   5.641   9.168   2.220
   20PA     H2114556   5.746   9.146   2.243
   20PA     H2214557   5.652   9.242   2.141
   20PA    Ch2314558   5.598   9.046   2.139
   20PA     H2414559   5.676   9.050   2.063
   20PA     H2514560   5.631   8.965   2.203
   20PA    Ch2614561   5.454   9.024   2.093
   20PA     H2714562   5.404   9.102   2.149
   20PA     H2814563   5.411   8.934   2.137
   20PA    Ch2914564   5.426   9.028   1.944
   20PA     H3014565   5.422   9.135   1.922
   20PA     H3114566   5.506   9.009   1.871
   20PA    Ch3214567   5.300   8.953   1.904
   20PA     H3314568   5.212   8.977   1.963
   20PA     H3414569   5.303   8.846   1.924
   20PA     N3514570   5.268   8.982   1.766
   20PA    Hn3614571   5.321   9.052   1.716
   20PA    Ca3714572   5.164   8.938   1.695
   20PA     O3814573   5.066   9.012   1.704
   20PA    Ch3914574   5.164   8.809   1.613
   20PA     H4014575   5.085   8.801   1.539
   20PA     H4114576   5.262   8.814   1.565
   20PA    Ch4214577   5.151   8.674   1.683
   20PA     H4314578   5.133   8.602   1.603
   20PA     H4414579   5.053   8.681   1.730
   20PA    Ch4514580   5.275   8.638   1.764
   20PA     H4614581   5.357   8.706   1.741
   20PA     H4714582   5.246   8.643   1.869
   20PA    Ch4814583   5.323   8.496   1.736
   20PA     H4914584   5.343   8.491   1.629
   20PA     H5014585   5.237   8.436   1.767
   20PA    Ca5114586   5.444   8.443   1.813
   20PA     O5214587   5.534   8.386   1.752
   20PA     N5314588   5.424   8.409   1.940
   20PA    Hn5414589   5.387   8.490   1.987
   20PA    Ch5514590   5.380   8.284   2.000
   20PA     H5614591   5.274   8.264   1.986
   20PA     H5714592   5.435   8.198   1.963
   20PA    Ch5814593   5.401   8.315   2.147
   20PA     H5914594   5.332   8.392   2.182
   20PA     H6014595   5.502   8.354   2.162
   20PA    Ch6114596   5.367   8.191   2.229
   20PA     H6214597   5.333   8.112   2.162
   20PA     H6314598   5.446   8.158   2.297
   20PA    Ch6414599   5.248   8.197   2.324
   20PA     H6514600   5.167   8.209   2.252
   20PA     H6614601   5.258   8.265   2.409
   20PA    Ch6714602   5.216   8.072   2.405
   20PA     H6814603   5.287   8.056   2.486
   20PA     H6914604   5.120   8.090   2.455
   20PA    Ch7014605   5.206   7.941   2.328
   20PA     H7114606   5.305   7.903   2.300
   20PA     H7214607   5.160   7.964   2.231
   20PA     N7314608   5.130   7.860   2.421
   20PA    Hn7414609   5.052   7.894   2.476
   20PA    Ca7514610   5.122   7.727   2.416
   20PA     O7614611   5.218   7.658   2.450
   20PA    Ch7714612   4.996   7.659   2.364
   20PA     H7814613   4.966   7.710   2.273
   20PA     H7914614   5.040   7.564   2.334
   20PA    Ch8014615   4.889   7.620   2.464
   20PA     H8114616   4.883   7.705   2.532
   20PA     H8214617   4.951   7.554   2.524
   20PA    Ch8314618   4.755   7.558   2.425
   20PA     H8414619   4.779   7.470   2.365
   20PA     H8514620   4.716   7.536   2.524
   20PA    Ch8614621   4.654   7.657   2.367
   20PA     H8714622   4.705   7.703   2.283
   20PA     H8814623   4.641   7.751   2.421
   20PA    Ca8914624   4.523   7.599   2.317
   20PA     O9014625   4.490   7.613   2.199
   20PA     N9114626   4.427   7.555   2.399
   20PA    Hn9214627   4.457   7.503   2.481
   20PA    Ch9314628   4.291   7.592   2.431
   20PA     H9414629   4.287   7.654   2.521
   20PA     H9514630   4.226   7.640   2.357
   20PA    Ch9614631   4.206   7.466   2.440
   20PA     H9714632   4.245   7.422   2.532
   20PA     H9814633   4.218   7.389   2.363
   20PA    Ch9914634   4.065   7.477   2.496
   20PA    H10014635   4.054   7.523   2.594
   20PA    H10114636   4.013   7.534   2.418
   20PA   Ch10214637   3.989   7.345   2.503
   20PA    H10314638   4.032   7.276   2.575
   20PA    H10414639   4.012   7.297   2.408
   20PA   Ch10514640   3.851   7.376   2.560
   20PA    H10614641   3.872   7.371   2.667
   20PA    H10714642   3.818   7.473   2.525
   20PA   Ch10814643   3.740   7.276   2.532
   20PA    H10914644   3.673   7.254   2.615
   20PA    H11014645   3.803   7.190   2.512
   20PA    N11114646   3.682   7.298   2.401
   20PA   Hn11214647   3.697   7.384   2.349
   20PA   Ca11314648   3.564   7.247   2.365
   20PA    O11414649   3.555   7.143   2.299
   20PA   Ch11514650   3.445   7.341   2.356
   20PA    H11614651   3.471   7.446   2.376
   20PA    H11714652   3.399   7.321   2.259
   20PA   Ch11814653   3.330   7.328   2.455
   20PA    H11914654   3.383   7.298   2.545
   20PA    H12014655   3.279   7.232   2.456
   20PA   Ch12114656   3.233   7.443   2.477
   20PA    H12214657   3.209   7.453   2.583
   20PA    H12314658   3.272   7.541   2.449
   20PA   Ch12414659   3.100   7.429   2.405
   20PA    H12514660   3.055   7.330   2.414
   20PA    H12614661   3.133   7.442   2.302
   20PA   Ca12714662   3.002   7.545   2.419
   20PA    O12814663   3.036   7.663   2.417
   20PA    N12914664   2.873   7.523   2.446
   20PA   Hn13014665   2.833   7.450   2.388
   20PA   Ch13114666   2.798   7.541   2.568
   20PA    H13214667   2.859   7.555   2.657
   20PA    H13314668   2.762   7.643   2.560
   20PA   Ch13414669   2.675   7.451   2.578
   20PA    H13514670   2.694   7.347   2.603
   20PA    H13614671   2.635   7.435   2.478
   20PA   Ch13714672   2.576   7.497   2.684
   20PA    H13814673   2.625   7.468   2.777
   20PA    H13914674   2.557   7.605   2.678
   20PA   Ch14014675   2.449   7.415   2.674
   20PA    H14114676   2.450   7.305   2.673
   20PA    H14214677   2.398   7.439   2.581
   20PA   Ch14314678   2.354   7.452   2.787
   20PA    H14414679   2.359   7.556   2.818
   20PA    H14514680   2.263   7.457   2.727
   20PA   Ch14614681   2.335   7.344   2.893
   20PA    H14714682   2.435   7.311   2.923
   20PA    H14814683   2.278   7.259   2.856
   20PA    N14914684   2.289   7.421   3.007
   20PA   Hn15014685   2.284   7.522   3.005
   20PA   Ca15114686   2.215   7.390   3.114
   20PA    O15214687   2.247   7.289   3.175
   20PA   Ch15314688   2.066   7.419   3.119
   20PA    H15414689   2.023   7.386   3.024
   20PA    H15514690   2.020   7.351   3.191
   20PA   Ch15614691   2.030   7.563   3.152
   20PA    H15714692   2.033   7.634   3.068
   20PA    H15814693   2.086   7.608   3.235
   20PA   Ch15914694   1.888   7.568   3.206
   20PA    H16014695   1.852   7.465   3.211
   20PA    H16114696   1.891   7.584   3.314
   20PA   Ch16214697   1.787   7.645   3.122
   20PA    H16314698   1.775   7.585   3.032
   20PA    H16414699   1.850   7.721   3.076
   20PA   Ca16514700   1.675   7.690   3.216
   20PA    O16614701   1.694   7.771   3.306
   20PA    N16714702   1.556   7.638   3.186
   20PA   Hn16814703   1.539   7.613   3.089
   20PA   Ch16914704   1.511   7.536   3.279
   20PA    H17014705   1.578   7.479   3.344
   20PA    H17114706   1.455   7.591   3.354
   20PA   Ch17214707   1.392   7.455   3.232
   20PA    H17314708   1.426   7.425   3.133
   20PA    H17414709   1.293   7.502   3.229
   20PA   Ch17514710   1.365   7.351   3.341
   20PA    H17614711   1.452   7.293   3.371
   20PA    H17714712   1.339   7.409   3.430
   20PA   Ch17814713   1.241   7.268   3.315
   20PA    H17914714   1.209   7.220   3.222
   20PA    H18014715   1.159   7.338   3.329
   20PA   Ch18114716   1.232   7.140   3.398
   20PA    H18214717   1.180   7.065   3.339
   20PA    H18314718   1.330   7.091   3.398
   20PA   Ch18414719   1.170   7.152   3.536
   20PA    H18514720   1.101   7.068   3.551
   20PA    H18614721   1.101   7.236   3.523
   20PA    N18714722   1.274   7.160   3.636
   20PA   Hn18814723   1.308   7.253   3.658
   20PA   Ca18914724   1.256   7.099   3.754
   20PA    O19014725   1.281   6.979   3.751
   20PA   Ch19114726   1.255   7.177   3.885
   20PA    H19214727   1.322   7.127   3.955
   20PA    H19314728   1.303   7.273   3.865
   20PA   Ch19414729   1.119   7.207   3.947
   20PA    H19514730   1.126   7.174   4.051
   20PA    H19614731   1.032   7.157   3.904
   20PA   Ch19714732   1.108   7.354   3.985
   20PA    H19814733   1.062   7.374   4.082
   20PA    H19914734   1.207   7.392   4.008
   20PA   Ch20014735   1.040   7.441   3.880
   20PA    H20114736   1.065   7.541   3.913
   20PA    H20214737   0.932   7.427   3.877
   20PA   Ca20314738   1.102   7.452   3.742
   20PA    O20414739   1.222   7.475   3.725
   20PA    N20514740   1.017   7.465   3.640
   20PA   Hn20614741   0.954   7.388   3.657
   20PA   Ch20714742   0.984   7.586   3.567
   20PA    H20814743   1.058   7.660   3.537
   20PA    H20914744   0.970   7.559   3.462
   20PA   Ch21014745   0.855   7.633   3.634
   20PA    H21114746   0.815   7.610   3.732
   20PA    H21214747   0.773   7.585   3.581
   20PA   Ch21314748   0.834   7.781   3.606
   20PA    H21414749   0.869   7.795   3.504
   20PA    H21514750   0.728   7.806   3.605
   20PA   Ch21614751   0.882   7.871   3.720
   20PA    H21714752   0.984   7.850   3.752
   20PA    H21814753   0.829   7.847   3.812
   20PA   Ch21914754   0.888   8.018   3.681
   20PA    H22014755   0.900   8.024   3.573
   20PA    H22114756   0.789   8.050   3.713
   20PA   Ch22214757   0.974   8.104   3.772
   20PA    H22314758   1.059   8.039   3.795
   20PA    H22414759   0.944   8.145   3.869
   20PA    N22514760   1.013   8.211   3.682
   20PA   Hn22614761   1.051   8.181   3.593
   20PA   Ca22714762   1.041   8.342   3.691
   20PA    O22814763   0.962   8.424   3.736
   20PA   Ch22914764   1.189   8.377   3.689
   20PA    H23014765   1.226   8.407   3.787
   20PA    H23114766   1.242   8.282   3.683
   20PA   Ch23214767   1.256   8.465   3.584
   20PA    H23314768   1.199   8.448   3.492
   20PA    H23414769   1.353   8.424   3.555
   20PA   Ch23514770   1.260   8.614   3.616
   20PA    H23614771   1.165   8.667   3.617
   20PA    H23714772   1.290   8.621   3.721
   20PA   Ch23814773   1.368   8.686   3.537
   20PA    H23914774   1.461   8.629   3.532
   20PA    H24014775   1.421   8.749   3.610
   20PA   Ca24114776   1.325   8.749   3.406
   20PA    O24214777   1.277   8.861   3.414
   20PA    N24314778   1.336   8.675   3.295
   20PA   Hn24414779   1.414   8.614   3.314
   20PA   Ch24514780   1.242   8.617   3.200
   20PA    H24614781   1.185   8.527   3.225
   20PA    H24714782   1.167   8.694   3.179
   20PA   Ch24814783   1.300   8.602   3.060
   20PA    H24914784   1.387   8.537   3.070
   20PA    H25014785   1.345   8.691   3.016
   20PA   Ch25114786   1.202   8.518   2.979
   20PA    H25214787   1.247   8.419   2.993
   20PA    H25314788   1.104   8.518   3.025
   20PA   Ch25414789   1.184   8.525   2.828
   20PA    H25514790   1.276   8.497   2.775
   20PA    H25614791   1.133   8.431   2.805
   20PA   Ch25714792   1.124   8.655   2.775
   20PA    H25814793   1.077   8.723   2.846
   20PA    H25914794   1.217   8.685   2.726
   20PA   Ch26014795   1.045   8.642   2.645
   20PA    H26114796   0.953   8.594   2.678
   20PA    H26214797   1.104   8.582   2.575
   20PA    N26314798   1.029   8.774   2.589
   20PA   Hn26414799   1.093   8.849   2.613
   20PA   Ca26514800   0.916   8.809   2.528
   20PA    O26614801   0.892   8.751   2.422
   20PA   Ch26714802   0.814   8.885   2.611
   20PA    H26814803   0.718   8.833   2.603
   20PA    H26914804   0.832   8.866   2.717
   20PA   Ch27014805   0.813   9.038   2.612
   20PA    H27114806   0.838   9.073   2.512
   20PA    H27214807   0.890   9.088   2.671
   20PA   Ch27314808   0.684   9.100   2.665
   20PA    H27414809   0.643   9.038   2.745
   20PA    H27514810   0.704   9.190   2.723
   20PA   Ch27614811   0.571   9.124   2.566
   20PA    H27714812   0.541   9.025   2.533
   20PA    H27814813   0.609   9.185   2.484
   20PA   Ca27914814   0.440   9.178   2.623
   20PA    O28014815   0.332   9.172   2.565
   20PA    N28114816   0.435   9.267   2.723
   20PA   Hn28214817   0.488   9.345   2.687
   20PA   Ch28314818   0.415   9.214   2.857
   20PA    H28414819   0.312   9.248   2.870
   20PA    H28514820   0.451   9.112   2.850
   20PA   Ch28614821   0.483   9.279   2.976
   20PA    H28714822   0.457   9.385   2.971
   20PA    H28814823   0.592   9.283   2.969
   20PA   Ch28914824   0.448   9.223   3.113
   20PA    H29014825   0.340   9.233   3.125
   20PA    H29114826   0.467   9.116   3.128
   20PA   Ch29214827   0.508   9.299   3.230
   20PA    H29314828   0.440   9.306   3.315
   20PA    H29414829   0.530   9.399   3.193
   20PA   Ch29514830   0.627   9.221   3.285
   20PA    H29614831   0.594   9.118   3.296
   20PA    H29714832   0.711   9.231   3.216
   20PA   Ch29814833   0.674   9.301   3.405
   20PA    H29914834   0.611   9.289   3.493
   20PA    H30014835   0.667   9.410   3.399
   20PA    N30114836   0.812   9.271   3.439
   20PA   Hn30214837   0.853   9.184   3.408
   20PA   Ca30314838   0.911   9.356   3.469
   20PA    O30414839   0.925   9.397   3.584
   20PA   Ch30514840   1.040   9.370   3.390
   20PA    H30614841   1.123   9.379   3.461
   20PA    H30714842   1.046   9.280   3.329
   20PA   Ch30814843   1.050   9.481   3.287
   20PA    H30914844   1.009   9.578   3.315
   20PA    H31014845   0.987   9.449   3.204
   20PA   Ch31114846   1.189   9.498   3.226
   20PA    H31214847   1.246   9.408   3.207
   20PA    H31314848   1.182   9.526   3.121
   20PA   Ch31414849   1.277   9.600   3.298
   20PA    H31514850   1.320   9.576   3.395
   20PA    H31614851   1.234   9.697   3.323
   20PA   Ca31714852   1.400   9.646   3.221
   20PA    O31814853   1.502   9.579   3.210
   20PA    N31914854   1.387   9.747   3.135
   20PA   Hn32014855   1.333   9.822   3.178
   20PA   Ch32114856   1.375   9.751   2.991
   20PA    H32214857   1.478   9.735   2.959
   20PA    H32314858   1.333   9.659   2.949
   20PA   Ch32414859   1.338   9.883   2.923
   20PA    H32514860   1.396   9.887   2.832
   20PA    H32614861   1.372   9.981   2.958
   20PA   Ch32714862   1.197   9.899   2.867
   20PA    H32814863   1.157   9.813   2.815
   20PA    H32914864   1.138   9.913   2.957
   20PA   Ch33014865   1.169  10.024   2.784
   20PA    H33114866   1.251  10.087   2.820
   20PA    H33214867   1.073  10.067   2.812
   20PA   Ch33314868   1.192   9.991   2.637
   20PA    H33414869   1.295   9.972   2.609
   20PA    H33514870   1.134   9.901   2.614
   20PA   Ch33614871   1.117  10.094   2.554
   20PA    H33714872   1.038  10.169   2.569
   20PA    H33814873   1.067  10.024   2.486
   20PA    N33914874   1.217  10.153   2.468
   20PA   Hn34014875   1.286  10.083   2.442
   20PA   Ca34114876   1.186  10.205   2.349
   20PA    O34214877   1.139  10.318   2.338
   20PA   Ch34314878   1.195  10.120   2.223
   20PA    H34414879   1.232  10.177   2.137
   20PA    H34514880   1.284  10.059   2.233
   20PA   Ch34614881   1.072  10.046   2.173
   20PA    H34714882   1.007  10.020   2.256
   20PA    H34814883   1.114   9.955   2.129
   20PA   Ch34914884   0.978  10.094   2.063
   20PA    H35014885   0.919  10.180   2.095
   20PA    H35114886   1.041  10.098   1.974
   20PA   Ch35214887   0.882   9.984   2.019
   20PA    H35314888   0.830   9.924   2.094
   20PA    H35414889   0.936   9.898   1.980
   20PA   Ca35514890   0.767  10.021   1.926
   20PA    O35614891   0.773   9.985   1.808
   20PA    N35714892   0.663  10.091   1.972
   20PA   Hn35814893   0.593  10.039   2.023
   20PA   Ch35914894   0.639  10.234   1.971
   20PA    H36014895   0.707  10.283   2.041
   20PA    H36114896   0.670  10.278   1.876
   20PA   Ch36214897   0.489  10.256   1.984
   20PA    H36314898   0.457  10.197   2.070
   20PA    H36414899   0.425  10.215   1.906
   20PA   Ch36514900   0.451  10.401   1.960
   20PA    H36614901   0.496  10.454   2.044
   20PA    H36714902   0.485  10.440   1.864
   20PA   Ch36814903   0.307  10.429   2.004
   20PA    H36914904   0.307  10.537   2.017
   20PA    H37014905   0.263  10.358   2.074
   20PA   Ch37114906   0.219  10.430   1.880
   20PA    H37214907   0.246  10.491   1.794
   20PA    H37314908   0.237  10.329   1.842
   20PA   Ch37414909   0.070  10.448   1.906
   20PA    H37514910   0.033  10.494   1.997
   20PA    H37614911   0.025  10.355   1.871
   20PA    N37714912   0.024  10.538   1.802
   20PA   Hn37814913   0.071  10.625   1.781
   20PA   Ca37914914  -0.103  10.578   1.792
   20PA    O38014915  -0.173  10.485   1.754
   20PA   Ch38114916  -0.154  10.710   1.850
   20PA    H38214917  -0.255  10.725   1.811
   20PA    H38314918  -0.158  10.693   1.957
   20PA   Ch38414919  -0.087  10.842   1.817
   20PA    H38514920  -0.174  10.908   1.802
   20PA    H38614921  -0.061  10.828   1.712
   20PA   Ch38714922   0.003  10.915   1.916
   20PA    H38814923  -0.051  10.966   1.996
   20PA    H38914924   0.072  10.843   1.960
   20PA   Ch39014925   0.072  11.027   1.839
   20PA    H39114926   0.073  11.114   1.904
   20PA    H39214927   0.027  11.078   1.755
   20PA   Ca39314928   0.214  11.010   1.785
   20PA    O39414929   0.283  10.912   1.809
   20PA    N39514930   0.257  11.102   1.697
   20PA   Hn39614931   0.166  11.141   1.676
   20PA   Ch39714932   0.352  11.207   1.724
   20PA    H39814933   0.351  11.239   1.829
   20PA    H39914934   0.452  11.165   1.714
   20PA   Ch40014935   0.314  11.335   1.650
   20PA    H40114936   0.373  11.411   1.701
   20PA    H40214937   0.211  11.354   1.678
   20PA   Ch40314938   0.328  11.346   1.498
   20PA    H40414939   0.429  11.320   1.467
   20PA    H40514940   0.258  11.276   1.453
   20PA   Ch40614941   0.267  11.469   1.431
   20PA    H40714942   0.311  11.546   1.494
   20PA    H40814943   0.158  11.477   1.442
   20PA   Ch40914944   0.309  11.487   1.286
   20PA    H41014945   0.415  11.481   1.264
   20PA    H41114946   0.245  11.426   1.222
   20PA   Ch41214947   0.289  11.633   1.247
   20PA    H41314948   0.375  11.700   1.249
   20PA    H41414949   0.194  11.652   1.296
   20PA    N41514950   0.272  11.641   1.103
   20PA   Hn41614951   0.364  11.617   1.067
   20PA   Ca41714952   0.221  11.742   1.032
   20PA    O41814953   0.116  11.794   1.069
   20PA   Ch41914954   0.313  11.819   0.938
   20PA    H42014955   0.370  11.746   0.881
   20PA    H42114956   0.240  11.851   0.863
   20PA   Ch42214957   0.404  11.934   0.978
   20PA    H42314958   0.490  11.868   0.992
   20PA    H42414959   0.371  11.975   1.074
   20PA   Ch42514960   0.451  12.044   0.883
   20PA    H42614961   0.505  11.990   0.805
   20PA    H42714962   0.354  12.071   0.840
   20PA   Ch42814963   0.542  12.154   0.934
   20PA    H42914964   0.615  12.099   0.993
   20PA    H43014965   0.470  12.220   0.984
   20PA   Ca43114966   0.615  12.235   0.827
   20PA    O43214967   0.597  12.356   0.834
   20PA    N43314968   0.718  12.182   0.761
   20PA   Hn43414969   0.691  12.109   0.697
   20PA   Ch43514970   0.848  12.173   0.823
   20PA    H43614971   0.853  12.231   0.916
   20PA    H43714972   0.849  12.073   0.866
   20PA   Ch43814973   0.978  12.192   0.745
   20PA    H43914974   1.019  12.284   0.786
   20PA    H44014975   0.962  12.245   0.651
   20PA   Ch44114976   1.065  12.067   0.748
   20PA    H44214977   1.117  12.044   0.841
   20PA    H44314978   0.984  11.995   0.742
   20PA   Ch44414979   1.145  12.048   0.620
   20PA    H44514980   1.250  12.031   0.642
   20PA    H44614981   1.145  12.125   0.542
   20PA   Ch44714982   1.111  11.925   0.536
   20PA    H44814983   1.094  11.847   0.611
   20PA    H44914984   1.010  11.949   0.502
   20PA   Ch45014985   1.198  11.892   0.416
   20PA    H45114986   1.300  11.889   0.454
   20PA    H45214987   1.210  11.964   0.335
   20PA    N45314988   1.163  11.754   0.391
   20PA   Hn45414989   1.139  11.676   0.452
   20PA   Ca45514990   1.109  11.700   0.282
   20PA    O45614991   1.153  11.724   0.170
   20PA   Ch45714992   0.970  11.645   0.309
   20PA    H45814993   0.970  11.566   0.384
   20PA    H45914994   0.911  11.727   0.351
   20PA   Ch46014995   0.883  11.597   0.194
   20PA    H46114996   0.957  11.583   0.115
   20PA    H46214997   0.820  11.685   0.173
   20PA   Ch46314998   0.807  11.467   0.210
   20PA    H46414999   0.866  11.393   0.155
   20PA    H46515000   0.808  11.434   0.314
   20PA   Ch46615001   0.671  11.462   0.141
   20PA    H46715002   0.686  11.445   0.035
   20PA    H46815003   0.640  11.562   0.111
   20PA   Ca46915004   0.569  11.358   0.186
   20PA    O47015005   0.596  11.238   0.189
   20PA    N47115006   0.442  11.396   0.179
   20PA   Hn47215007   0.458  11.425   0.083
   20PA   Ch47315008   0.330  11.427   0.266
   20PA    H47415009   0.271  11.336   0.282
   20PA    H47515010   0.351  11.471   0.363
   20PA   Ch47615011   0.249  11.522   0.178
   20PA    H47715012   0.232  11.474   0.081
   20PA    H47815013   0.279  11.627   0.176
   20PA   Ch47915014   0.102  11.520   0.216
   20PA    H48015015   0.070  11.417   0.203
   20PA    H48115016   0.086  11.526   0.324
   20PA   Ch48215017  -0.008  11.578   0.128
   20PA    H48315018   0.000  11.513   0.041
   20PA    H48415019   0.010  11.681   0.098
   20PA   Ch48515020  -0.149  11.549   0.178
   20PA    H48615021  -0.230  11.582   0.112
   20PA    H48715022  -0.165  11.442   0.164
   20PA   Ch48815023  -0.201  11.580   0.318
   20PA    H48915024  -0.120  11.590   0.390
   20PA    H49015025  -0.253  11.489   0.349
   20PA    N49115026  -0.292  11.693   0.315
   20PA   Hn49215027  -0.360  11.683   0.241
   20PA   Ca49315028  -0.351  11.744   0.423
   20PA    O49415029  -0.312  11.856   0.455
   20PA   Ch49515030  -0.500  11.721   0.446
   20PA    H49615031  -0.540  11.759   0.352
   20PA    H49715032  -0.518  11.613   0.451
   20PA   Ch49815033  -0.589  11.774   0.558
   20PA    H49915034  -0.528  11.776   0.648
   20PA    H50015035  -0.676  11.721   0.595
   20PA   Ch50115036  -0.647  11.913   0.535
   20PA    H50215037  -0.573  11.972   0.481
   20PA    H50315038  -0.725  11.901   0.459
   20PA   Ch50415039  -0.727  11.982   0.644
   20PA    H50515040  -0.642  11.994   0.711
   20PA    H50615041  -0.771  11.908   0.710
   20PA   Ca50715042  -0.805  12.106   0.602
   20PA    O50815043  -0.910  12.090   0.540
   20PA    N50915044  -0.796  12.210   0.685
   20PA   Hn51015045  -0.696  12.205   0.699
   20PA   Ch51115046  -0.883  12.294   0.765
   20PA    H51215047  -0.935  12.367   0.703
   20PA    H51315048  -0.955  12.235   0.823
   20PA   Ch51415049  -0.802  12.371   0.868
   20PA    H51515050  -0.702  12.385   0.827
   20PA    H51615051  -0.794  12.311   0.959
   20PA   Ch51715052  -0.833  12.517   0.900
   20PA    H51815053  -0.737  12.555   0.936
   20PA    H51915054  -0.838  12.585   0.816
   20PA   Ch52015055  -0.935  12.560   1.004
   20PA    H52115056  -1.021  12.533   0.943
   20PA    H52215057  -0.953  12.668   1.004
   20PA   Ch52315058  -0.942  12.508   1.147
   20PA    H52415059  -0.894  12.410   1.146
   20PA    H52515060  -0.859  12.570   1.180
   20PA   Ch52615061  -1.079  12.508   1.215
   20PA    H52715062  -1.162  12.472   1.154
   20PA    H52815063  -1.107  12.611   1.236
   20PA    N52915064  -1.066  12.437   1.340
   20PA   Hn53015065  -1.076  12.338   1.321
   20PA   Ca53115066  -1.110  12.490   1.454
   20PA    O53215067  -1.045  12.577   1.511
   20PA   Ch53315068  -1.237  12.440   1.522
   20PA    H53415069  -1.298  12.529   1.539
   20PA    H53515070  -1.287  12.382   1.445
   20PA   Ch53615071  -1.238  12.360   1.652
   20PA    H53715072  -1.166  12.410   1.716
   20PA    H53815073  -1.170  12.277   1.634
   20PA   Ch53915074  -1.373  12.342   1.719
   20PA    H54015075  -1.328  12.277   1.793
   20PA    H54115076  -1.399  12.444   1.750
   20PA   Ch54215077  -1.480  12.280   1.629
   20PA    H54315078  -1.432  12.203   1.568
   20PA    H54415079  -1.526  12.356   1.565
   20PA   Ca54515080  -1.586  12.217   1.717
   20PA    O54615081  -1.662  12.293   1.777
   20PA    N54715082  -1.557  12.096   1.763
   20PA   Hn54815083  -1.547  12.030   1.688
   20PA   Ch54915084  -1.494  12.060   1.889
   20PA    H55015085  -1.468  12.152   1.943
   20PA    H55115086  -1.567  11.995   1.938
   20PA   Ch55215087  -1.363  11.994   1.849
   20PA    H55315088  -1.279  12.040   1.902
   20PA    H55415089  -1.328  11.998   1.745
   20PA   Ch55515090  -1.366  11.848   1.889
   20PA    H55615091  -1.420  11.838   1.984
   20PA    H55715092  -1.403  11.801   1.798
   20PA   Ch55815093  -1.239  11.766   1.869
   20PA    H55915094  -1.146  11.819   1.891
   20PA    H56015095  -1.213  11.738   1.767
   20PA   Ch56115096  -1.226  11.621   1.914
   20PA    H56215097  -1.307  11.580   1.853
   20PA    H56315098  -1.127  11.585   1.888
   20PA   Ch56415099  -1.261  11.604   2.061
   20PA    H56515100  -1.359  11.558   2.072
   20PA    H56615101  -1.274  11.690   2.129
   20PA    N56715102  -1.152  11.539   2.131
   20PA   Hn56815103  -1.059  11.522   2.096
   20PA   Ca56915104  -1.139  11.452   2.232
   20PA    O57015105  -1.196  11.471   2.339
   20PA   Ch57115106  -1.098  11.314   2.184
   20PA    H57215107  -1.189  11.255   2.201
   20PA    H57315108  -1.052  11.329   2.087
   20PA   Ch57415109  -0.981  11.252   2.260
   20PA    H57515110  -0.913  11.310   2.324
   20PA    H57615111  -0.891  11.224   2.204
   20PA   Ch57715112  -1.016  11.125   2.335
   20PA    H57815113  -1.058  11.169   2.426
   20PA    H57915114  -1.086  11.066   2.275
   20PA   Ch58015115  -0.897  11.044   2.382
   20PA    H58115116  -0.803  11.098   2.370
   20PA    H58215117  -0.880  10.960   2.314
   20PA   Ca58315118  -0.895  10.999   2.528
   20PA    O58415119  -0.815  11.041   2.611
   20PA    N58515120  -0.979  10.909   2.579
   20PA   Hn58615121  -1.072  10.947   2.573
   20PA   Ch58715122  -0.976  10.766   2.600
   20PA    H58815123  -0.993  10.721   2.502
   20PA    H58915124  -0.875  10.743   2.634
   20PA   Ch59015125  -1.097  10.696   2.661
   20PA    H59115126  -1.168  10.663   2.586
   20PA    H59215127  -1.150  10.759   2.733
   20PA   Ch59315128  -1.046  10.585   2.751
   20PA    H59415129  -0.993  10.506   2.696
   20PA    H59515130  -0.968  10.620   2.819
   20PA   Ch59615131  -1.137  10.501   2.839
   20PA    H59715132  -1.200  10.568   2.898
   20PA    H59815133  -1.067  10.451   2.906
   20PA   Ch59915134  -1.221  10.408   2.753
   20PA    H60015135  -1.265  10.483   2.687
   20PA    H60115136  -1.159  10.339   2.695
   20PA   Ch60215137  -1.314  10.332   2.848
   20PA    H60315138  -1.384  10.395   2.903
   20PA    H60415139  -1.263  10.272   2.923
   20PA    N60515140  -1.412  10.262   2.768
   20PA   Hn60615141  -1.460  10.325   2.706
   20PA   Ca60715142  -1.492  10.156   2.783
   20PA    O60815143  -1.604  10.182   2.827
   20PA   Ch60915144  -1.453  10.023   2.721
   20PA    H61015145  -1.541   9.989   2.666
   20PA    H61115146  -1.371  10.034   2.649
   20PA   Ch61215147  -1.432   9.937   2.844
   20PA    H61315148  -1.524   9.889   2.879
   20PA    H61415149  -1.390   9.991   2.929
   20PA   Ch61515150  -1.368   9.807   2.797
   20PA    H61615151  -1.434   9.751   2.731
   20PA    H61715152  -1.281   9.841   2.740
   20PA   Ch61815153  -1.331   9.715   2.913
   20PA    H61915154  -1.405   9.636   2.922
   20PA    H62015155  -1.341   9.751   3.016
   20PA   Ca62115156  -1.196   9.647   2.894
   20PA    O62215157  -1.099   9.694   2.954
   20PA    N62315158  -1.170   9.573   2.787
   20PA   Hn62415159  -1.245   9.506   2.799
   20PA   Ch62515160  -1.099   9.599   2.663
   20PA    H62615161  -1.146   9.684   2.613
   20PA    H62715162  -0.992   9.619   2.676
   20PA   Ch62815163  -1.111   9.486   2.562
   20PA    H62915164  -1.212   9.460   2.528
   20PA    H63015165  -1.075   9.399   2.615
   20PA   Ch63115166  -1.026   9.493   2.436
   20PA    H63215167  -0.984   9.592   2.419
   20PA    H63315168  -0.932   9.444   2.463
   20PA   Ch63415169  -1.077   9.413   2.317
   20PA    H63515170  -1.169   9.439   2.263
   20PA    H63615171  -1.091   9.318   2.368
   20PA   Ch63715172  -0.972   9.402   2.208
   20PA    H63815173  -0.976   9.501   2.162
   20PA    H63915174  -0.877   9.362   2.244
   20PA   Ch64015175  -1.024   9.312   2.096
   20PA    H64115176  -1.091   9.365   2.029
   20PA    H64215177  -1.087   9.234   2.139
   20PA    N64315178  -0.914   9.262   2.016
   20PA   Hn64415179  -0.836   9.325   2.007
   20PA   Ca64515180  -0.910   9.152   1.940
   20PA    O64615181  -0.963   9.044   1.967
   20PA   Ch64715182  -0.908   9.171   1.789
   20PA    H64815183  -0.999   9.160   1.730
   20PA    H64915184  -0.889   9.275   1.765
   20PA   Ch65015185  -0.809   9.093   1.704
   20PA    H65115186  -0.731   9.057   1.770
   20PA    H65215187  -0.754   9.160   1.638
   20PA   Ch65315188  -0.862   8.977   1.620
   20PA    H65415189  -0.966   8.951   1.642
   20PA    H65515190  -0.876   9.012   1.518
   20PA   Ch65615191  -0.764   8.861   1.632
   20PA    H65715192  -0.706   8.852   1.724
   20PA    H65815193  -0.701   8.890   1.548
   20PA   Ca65915194  -0.824   8.721   1.624
   20PA    O66015195  -0.759   8.641   1.558
   20PA    N66115196  -0.896   8.685   1.730
   20PA   Hn66215197  -0.849   8.731   1.807
   20PA   Ch66315198  -1.039   8.693   1.755
   20PA    H66415199  -1.082   8.769   1.820
   20PA    H66515200  -1.100   8.682   1.666
   20PA   Ch66615201  -1.082   8.571   1.835
   20PA    H66715202  -1.120   8.612   1.929
   20PA    H66815203  -1.000   8.505   1.863
   20PA   Ch66915204  -1.197   8.484   1.784
   20PA    H67015205  -1.239   8.446   1.877
   20PA    H67115206  -1.268   8.552   1.737
   20PA   Ch67215207  -1.173   8.375   1.681
   20PA    H67315208  -1.090   8.305   1.692
   20PA    H67415209  -1.149   8.432   1.591
   20PA   Ch67515210  -1.296   8.289   1.653
   20PA    H67615211  -1.333   8.269   1.754
   20PA    H67715212  -1.380   8.347   1.614
   20PA   Ch67815213  -1.256   8.166   1.572
   20PA    H67915214  -1.182   8.100   1.619
   20PA    H68015215  -1.185   8.202   1.497
   20PA    N68115216  -1.372   8.091   1.529
   20PA   Hn68215217  -1.375   7.994   1.557
   20PA   Ca68315218  -1.493   8.116   1.477
   20PA    O68415219  -1.505   8.158   1.362
   20PA   Ch68515220  -1.609   8.110   1.575
   20PA    H68615221  -1.577   8.160   1.666
   20PA    H68715222  -1.689   8.182   1.558
   20PA   Ch68815223  -1.638   7.970   1.628
   20PA    H68915224  -1.571   7.953   1.712
   20PA    H69015225  -1.636   7.894   1.549
   20PA   Ch69115226  -1.779   7.954   1.684
   20PA    H69215227  -1.788   8.041   1.749
   20PA    H69315228  -1.862   7.969   1.615
   20PA   Ch69415229  -1.785   7.830   1.772
   20PA    H69515230  -1.848   7.840   1.861
   20PA    H69615231  -1.694   7.771   1.783
   20PA   Ca69715232  -1.861   7.707   1.728
   20PA    O69815233  -1.820   7.646   1.630
   20PA    N69915234  -1.980   7.675   1.780
   20PA   Hn70015235  -2.043   7.754   1.780
   20PA   Ch70115236  -2.024   7.601   1.896
   20PA    H70215237  -2.092   7.526   1.857
   20PA    H70315238  -1.948   7.542   1.948
   20PA   Ch70415239  -2.129   7.669   1.983
   20PA    H70515240  -2.206   7.596   2.008
   20PA    H70615241  -2.167   7.758   1.932
   20PA   Ch70715242  -2.084   7.712   2.121
   20PA    H70815243  -2.031   7.623   2.154
   20PA    H70915244  -1.990   7.766   2.133
   20PA   Ch71015245  -2.186   7.777   2.214
   20PA    H71115246  -2.197   7.718   2.306
   20PA    H71215247  -2.290   7.796   2.186
   20PA   Ch71315248  -2.146   7.905   2.285
   20PA    H71415249  -2.051   7.895   2.337
   20PA    H71515250  -2.124   7.987   2.217
   20PA   Ch71615251  -2.237   7.952   2.398
   20PA    H71715252  -2.229   7.881   2.481
   20PA    H71815253  -2.344   7.948   2.377
   20PA    N71915254  -2.186   8.080   2.442
   20PA   Hn72015255  -2.110   8.130   2.398
   20PA   Ca72115256  -2.243   8.194   2.480
   20PA    O72215257  -2.332   8.245   2.412
   20PA   Ch72315258  -2.232   8.230   2.628
   20PA    H72415259  -2.204   8.334   2.610
   20PA    H72515260  -2.326   8.203   2.675
   20PA   Ch72615261  -2.120   8.174   2.714
   20PA    H72715262  -2.029   8.192   2.656
   20PA    H72815263  -2.143   8.068   2.725
   20PA   Ch72915264  -2.124   8.214   2.860
   20PA    H73015265  -2.037   8.159   2.894
   20PA    H73115266  -2.093   8.318   2.851
   20PA   Ch73215267  -2.243   8.194   2.955
   20PA    H73315268  -2.244   8.086   2.971
   20PA    H73415269  -2.322   8.238   2.895
   20PA   Ca73515270  -2.238   8.246   3.098
   20PA    O73615271  -2.148   8.228   3.179
   20PA    N73715272  -2.330   8.338   3.126
   20PA   Hn73815273  -2.419   8.297   3.149
   20PA   Ch73915274  -2.338   8.482   3.109
   20PA    H74015275  -2.306   8.515   3.208
   20PA    H74115276  -2.277   8.516   3.025
   20PA   Ch74215277  -2.475   8.533   3.068
   20PA    H74315278  -2.544   8.456   3.103
   20PA    H74415279  -2.478   8.535   2.959
   20PA   Ch74515280  -2.521   8.661   3.138
   20PA    H74615281  -2.531   8.618   3.238
   20PA    H74715282  -2.439   8.733   3.133
   20PA   Ch74815283  -2.658   8.698   3.084
   20PA    H74915284  -2.728   8.649   3.152
   20PA    H75015285  -2.675   8.667   2.981
   20PA   Ch75115286  -2.685   8.848   3.087
   20PA    H75215287  -2.793   8.866   3.086
   20PA    H75315288  -2.675   8.882   3.190
   20PA   Ch75415289  -2.609   8.920   2.976
   20PA    H75515290  -2.676   9.005   2.961
   20PA    H75615291  -2.596   8.847   2.896
   20PA    N75715292  -2.488   8.983   3.024
   20PA   Hn75815293  -2.479   8.980   3.124
   20PA   Ca75915294  -2.379   9.013   2.952
   20PA    O76015295  -2.382   9.094   2.859
   20PA   Ch76115296  -2.258   8.921   2.956
   20PA    H76215297  -2.175   8.982   2.918
   20PA    H76315298  -2.218   8.906   3.056
   20PA    H76415299   5.474   9.232   3.062
   20PA    H76515300  -2.285   8.823   2.916
   21PA     Ch115301  -4.853   6.559  -6.985
   21PA      H215302  -4.943   6.536  -7.043
   21PA      H315303  -4.768   6.549  -7.053
   21PA     Ch415304  -4.815   6.497  -6.851
   21PA      H515305  -4.904   6.519  -6.790
   21PA      H615306  -4.718   6.536  -6.819
   21PA     Ch715307  -4.812   6.345  -6.856
   21PA      H815308  -4.784   6.319  -6.754
   21PA      H915309  -4.908   6.298  -6.875
   21PA    Ch1015310  -4.703   6.278  -6.938
   21PA     H1115311  -4.729   6.274  -7.044
   21PA     H1215312  -4.737   6.175  -6.922
   21PA    Ca1315313  -4.556   6.264  -6.904
   21PA     O1415314  -4.503   6.348  -6.831
   21PA     N1515315  -4.475   6.206  -6.994
   21PA    Hn1615316  -4.542   6.138  -7.029
   21PA    Ch1715317  -4.414   6.273  -7.106
   21PA     H1815318  -4.483   6.333  -7.165
   21PA     H1915319  -4.329   6.333  -7.072
   21PA    Ch2015320  -4.356   6.182  -7.213
   21PA     H2115321  -4.354   6.230  -7.311
   21PA     H2215322  -4.430   6.106  -7.237
   21PA    Ch2315323  -4.215   6.131  -7.187
   21PA     H2415324  -4.144   6.213  -7.202
   21PA     H2515325  -4.231   6.100  -7.084
   21PA    Ch2615326  -4.181   6.013  -7.278
   21PA     H2715327  -4.182   6.043  -7.383
   21PA     H2815328  -4.257   5.937  -7.261
   21PA    Ch2915329  -4.051   5.941  -7.249
   21PA     H3015330  -3.973   6.015  -7.267
   21PA     H3115331  -4.040   5.906  -7.146
   21PA    Ch3215332  -4.038   5.816  -7.335
   21PA     H3315333  -4.080   5.825  -7.435
   21PA     H3415334  -4.083   5.732  -7.282
   21PA     N3515335  -3.900   5.782  -7.366
   21PA    Hn3615336  -3.817   5.818  -7.321
   21PA    Ca3715337  -3.838   5.756  -7.481
   21PA     O3815338  -3.860   5.658  -7.552
   21PA    Ch3915339  -3.749   5.863  -7.544
   21PA     H4015340  -3.660   5.866  -7.482
   21PA     H4115341  -3.725   5.822  -7.642
   21PA    Ch4215342  -3.789   6.010  -7.547
   21PA     H4315343  -3.773   6.079  -7.464
   21PA     H4415344  -3.897   6.002  -7.559
   21PA    Ch4515345  -3.737   6.099  -7.659
   21PA     H4615346  -3.782   6.052  -7.746
   21PA     H4715347  -3.781   6.196  -7.679
   21PA    Ch4815348  -3.585   6.101  -7.674
   21PA     H4915349  -3.532   6.057  -7.590
   21PA     H5015350  -3.555   6.206  -7.683
   21PA    Ca5115351  -3.526   6.024  -7.792
   21PA     O5215352  -3.452   5.929  -7.768
   21PA     N5315353  -3.529   6.096  -7.904
   21PA    Hn5415354  -3.613   6.152  -7.907
   21PA    Ch5515355  -3.411   6.161  -7.960
   21PA     H5615356  -3.368   6.217  -7.878
   21PA     H5715357  -3.328   6.093  -7.977
   21PA    Ch5815358  -3.432   6.252  -8.080
   21PA     H5915359  -3.369   6.341  -8.084
   21PA     H6015360  -3.523   6.305  -8.054
   21PA    Ch6115361  -3.457   6.188  -8.216
   21PA     H6215362  -3.387   6.111  -8.249
   21PA     H6315363  -3.551   6.134  -8.200
   21PA    Ch6415364  -3.461   6.298  -8.322
   21PA     H6515365  -3.371   6.358  -8.311
   21PA     H6615366  -3.556   6.347  -8.299
   21PA    Ch6715367  -3.478   6.245  -8.464
   21PA     H6815368  -3.407   6.166  -8.490
   21PA     H6915369  -3.568   6.185  -8.475
   21PA    Ch7015370  -3.482   6.350  -8.573
   21PA     H7115371  -3.385   6.401  -8.568
   21PA     H7215372  -3.580   6.389  -8.547
   21PA     N7315373  -3.508   6.298  -8.706
   21PA    Hn7415374  -3.545   6.203  -8.707
   21PA    Ca7515375  -3.557   6.349  -8.819
   21PA     O7615376  -3.478   6.366  -8.912
   21PA    Ch7715377  -3.701   6.390  -8.844
   21PA     H7815378  -3.721   6.495  -8.823
   21PA     H7915379  -3.729   6.388  -8.950
   21PA    Ch8015380  -3.809   6.300  -8.786
   21PA     H8115381  -3.807   6.310  -8.678
   21PA     H8215382  -3.780   6.195  -8.789
   21PA    Ch8315383  -3.950   6.296  -8.843
   21PA     H8415384  -3.950   6.310  -8.951
   21PA     H8515385  -3.987   6.199  -8.810
   21PA    Ch8615386  -4.041   6.401  -8.781
   21PA     H8715387  -4.050   6.469  -8.866
   21PA     H8815388  -4.002   6.470  -8.706
   21PA    Ca8915389  -4.184   6.352  -8.761
   21PA     O9015390  -4.245   6.284  -8.844
   21PA     N9115391  -4.243   6.373  -8.643
   21PA    Hn9215392  -4.234   6.471  -8.622
   21PA    Ch9315393  -4.287   6.285  -8.537
   21PA     H9415394  -4.371   6.225  -8.573
   21PA     H9515395  -4.205   6.216  -8.516
   21PA    Ch9615396  -4.354   6.379  -8.437
   21PA     H9715397  -4.435   6.443  -8.471
   21PA     H9815398  -4.290   6.455  -8.393
   21PA    Ch9915399  -4.364   6.299  -8.307
   21PA    H10015400  -4.428   6.371  -8.256
   21PA    H10115401  -4.424   6.211  -8.329
   21PA   Ch10215402  -4.239   6.271  -8.225
   21PA    H10315403  -4.167   6.354  -8.222
   21PA    H10415404  -4.179   6.194  -8.273
   21PA   Ch10515405  -4.255   6.214  -8.085
   21PA    H10615406  -4.311   6.278  -8.016
   21PA    H10715407  -4.333   6.137  -8.085
   21PA   Ch10815408  -4.137   6.144  -8.019
   21PA    H10915409  -4.068   6.113  -8.098
   21PA    H11015410  -4.166   6.061  -7.954
   21PA    N11115411  -4.069   6.238  -7.933
   21PA   Hn11215412  -4.130   6.299  -7.880
   21PA   Ca11315413  -3.949   6.295  -7.950
   21PA    O11415414  -3.844   6.236  -7.925
   21PA   Ch11515415  -3.953   6.442  -7.990
   21PA    H11615416  -3.871   6.454  -8.060
   21PA    H11715417  -4.030   6.458  -8.064
   21PA   Ch11815418  -3.947   6.559  -7.892
   21PA    H11915419  -3.993   6.516  -7.804
   21PA    H12015420  -4.001   6.641  -7.939
   21PA   Ch12115421  -3.812   6.623  -7.862
   21PA    H12215422  -3.771   6.674  -7.950
   21PA    H12315423  -3.838   6.694  -7.784
   21PA   Ch12415424  -3.690   6.538  -7.829
   21PA    H12515425  -3.673   6.462  -7.905
   21PA    H12615426  -3.742   6.501  -7.740
   21PA   Ca12715427  -3.551   6.593  -7.804
   21PA    O12815428  -3.451   6.546  -7.858
   21PA    N12915429  -3.540   6.686  -7.709
   21PA   Hn13015430  -3.621   6.741  -7.735
   21PA   Ch13115431  -3.518   6.659  -7.568
   21PA    H13215432  -3.521   6.551  -7.551
   21PA    H13315433  -3.417   6.690  -7.538
   21PA   Ch13415434  -3.614   6.749  -7.492
   21PA    H13515435  -3.710   6.718  -7.532
   21PA    H13615436  -3.601   6.855  -7.516
   21PA   Ch13715437  -3.612   6.738  -7.340
   21PA    H13815438  -3.713   6.768  -7.310
   21PA    H13915439  -3.605   6.639  -7.293
   21PA   Ch14015440  -3.518   6.831  -7.266
   21PA    H14115441  -3.541   6.833  -7.160
   21PA    H14215442  -3.523   6.939  -7.284
   21PA   Ch14315443  -3.369   6.797  -7.266
   21PA    H14415444  -3.341   6.709  -7.208
   21PA    H14515445  -3.335   6.764  -7.364
   21PA   Ch14615446  -3.272   6.901  -7.211
   21PA    H14715447  -3.273   6.899  -7.102
   21PA    H14815448  -3.295   7.007  -7.225
   21PA    N14915449  -3.133   6.866  -7.232
   21PA   Hn15015450  -3.086   6.803  -7.169
   21PA   Ca15115451  -3.037   6.957  -7.225
   21PA    O15215452  -3.028   7.043  -7.313
   21PA   Ch15315453  -2.937   6.952  -7.110
   21PA    H15415454  -2.889   6.854  -7.109
   21PA    H15515455  -2.848   7.014  -7.118
   21PA   Ch15615456  -2.967   7.001  -6.969
   21PA    H15715457  -3.042   7.079  -6.982
   21PA    H15815458  -2.903   7.073  -6.918
   21PA   Ch15915459  -3.013   6.885  -6.881
   21PA    H16015460  -3.072   6.815  -6.940
   21PA    H16115461  -2.924   6.831  -6.846
   21PA   Ch16215462  -3.104   6.920  -6.764
   21PA    H16315463  -3.131   6.819  -6.731
   21PA    H16415464  -3.199   6.964  -6.792
   21PA   Ca16515465  -3.017   6.978  -6.653
   21PA    O16615466  -3.010   7.100  -6.640
   21PA    N16715467  -2.971   6.890  -6.564
   21PA   Hn16815468  -3.042   6.819  -6.566
   21PA   Ch16915469  -2.833   6.845  -6.561
   21PA    H17015470  -2.784   6.841  -6.658
   21PA    H17115471  -2.780   6.909  -6.490
   21PA   Ch17215472  -2.802   6.703  -6.513
   21PA    H17315473  -2.788   6.641  -6.601
   21PA    H17415474  -2.898   6.684  -6.465
   21PA   Ch17515475  -2.698   6.679  -6.405
   21PA    H17615476  -2.686   6.571  -6.417
   21PA    H17715477  -2.601   6.706  -6.447
   21PA   Ch17815478  -2.720   6.707  -6.257
   21PA    H17915479  -2.820   6.746  -6.235
   21PA    H18015480  -2.647   6.786  -6.244
   21PA   Ch18115481  -2.635   6.626  -6.160
   21PA    H18215482  -2.673   6.527  -6.183
   21PA    H18315483  -2.526   6.644  -6.163
   21PA   Ch18415484  -2.676   6.628  -6.013
   21PA    H18515485  -2.590   6.573  -5.974
   21PA    H18615486  -2.759   6.561  -5.993
   21PA    N18715487  -2.655   6.761  -5.958
   21PA   Hn18815488  -2.607   6.825  -6.020
   21PA   Ca18915489  -2.734   6.857  -5.910
   21PA    O19015490  -2.773   6.854  -5.793
   21PA   Ch19115491  -2.745   6.980  -5.998
   21PA    H19215492  -2.769   6.953  -6.101
   21PA    H19315493  -2.843   7.018  -5.969
   21PA   Ch19415494  -2.634   7.084  -5.997
   21PA    H19515495  -2.578   7.086  -6.091
   21PA    H19615496  -2.586   7.074  -5.900
   21PA   Ch19715497  -2.680   7.227  -5.970
   21PA    H19815498  -2.752   7.259  -6.045
   21PA    H19915499  -2.731   7.245  -5.875
   21PA   Ch20015500  -2.560   7.321  -5.974
   21PA    H20115501  -2.473   7.286  -6.029
   21PA    H20215502  -2.519   7.314  -5.874
   21PA   Ca20315503  -2.570   7.472  -5.992
   21PA    O20415504  -2.527   7.508  -6.102
   21PA    N20515505  -2.687   7.520  -5.950
   21PA   Hn20615506  -2.699   7.493  -5.853
   21PA   Ch20715507  -2.814   7.534  -6.019
   21PA    H20815508  -2.800   7.571  -6.121
   21PA    H20915509  -2.870   7.441  -6.014
   21PA   Ch21015510  -2.896   7.646  -5.956
   21PA    H21115511  -2.828   7.718  -5.909
   21PA    H21215512  -2.930   7.595  -5.866
   21PA   Ch21315513  -3.005   7.714  -6.037
   21PA    H21415514  -2.968   7.721  -6.139
   21PA    H21515515  -3.080   7.636  -6.051
   21PA   Ch21615516  -3.067   7.843  -5.984
   21PA    H21715517  -2.985   7.898  -5.938
   21PA    H21815518  -3.122   7.816  -5.893
   21PA   Ch21915519  -3.152   7.916  -6.087
   21PA    H22015520  -3.081   7.940  -6.167
   21PA    H22115521  -3.234   7.852  -6.120
   21PA   Ch22215522  -3.203   8.046  -6.027
   21PA    H22315523  -3.101   8.080  -6.009
   21PA    H22415524  -3.248   8.022  -5.931
   21PA    N22515525  -3.291   8.115  -6.119
   21PA   Hn22615526  -3.278   8.093  -6.216
   21PA   Ca22715527  -3.376   8.217  -6.105
   21PA    O22815528  -3.343   8.329  -6.065
   21PA   Ch22915529  -3.521   8.176  -6.086
   21PA    H23015530  -3.511   8.123  -5.991
   21PA    H23115531  -3.577   8.270  -6.075
   21PA   Ch23215532  -3.600   8.090  -6.184
   21PA    H23315533  -3.541   8.037  -6.258
   21PA    H23415534  -3.663   8.171  -6.222
   21PA   Ch23515535  -3.681   7.984  -6.112
   21PA    H23615536  -3.600   7.920  -6.076
   21PA    H23715537  -3.733   8.031  -6.028
   21PA   Ch23815538  -3.765   7.895  -6.202
   21PA    H23915539  -3.756   7.808  -6.136
   21PA    H24015540  -3.728   7.876  -6.303
   21PA   Ca24115541  -3.907   7.947  -6.217
   21PA    O24215542  -3.953   7.982  -6.326
   21PA    N24315543  -3.990   7.901  -6.123
   21PA   Hn24415544  -3.932   7.914  -6.041
   21PA   Ch24515545  -4.070   7.780  -6.125
   21PA    H24615546  -4.139   7.763  -6.207
   21PA    H24715547  -4.006   7.694  -6.148
   21PA   Ch24815548  -4.134   7.748  -5.991
   21PA    H24915549  -4.121   7.842  -5.937
   21PA    H25015550  -4.077   7.675  -5.932
   21PA   Ch25115551  -4.280   7.707  -5.996
   21PA    H25215552  -4.339   7.797  -6.014
   21PA    H25315553  -4.296   7.623  -6.064
   21PA   Ch25415554  -4.338   7.667  -5.861
   21PA    H25515555  -4.343   7.743  -5.782
   21PA    H25615556  -4.262   7.611  -5.806
   21PA   Ch25715557  -4.469   7.589  -5.865
   21PA    H25815558  -4.542   7.662  -5.901
   21PA    H25915559  -4.447   7.498  -5.922
   21PA   Ch26015560  -4.520   7.531  -5.734
   21PA    H26115561  -4.579   7.599  -5.673
   21PA    H26215562  -4.437   7.475  -5.690
   21PA    N26315563  -4.619   7.428  -5.758
   21PA   Hn26415564  -4.624   7.332  -5.789
   21PA   Ca26515565  -4.746   7.438  -5.720
   21PA    O26615566  -4.821   7.485  -5.806
   21PA   Ch26715567  -4.780   7.387  -5.581
   21PA    H26815568  -4.718   7.443  -5.511
   21PA    H26915569  -4.883   7.422  -5.567
   21PA   Ch27015570  -4.762   7.236  -5.566
   21PA    H27115571  -4.713   7.227  -5.469
   21PA    H27215572  -4.684   7.180  -5.616
   21PA   Ch27315573  -4.895   7.162  -5.558
   21PA    H27415574  -4.921   7.200  -5.459
   21PA    H27515575  -4.978   7.204  -5.614
   21PA   Ch27615576  -4.868   7.013  -5.565
   21PA    H27715577  -4.961   6.961  -5.538
   21PA    H27815578  -4.795   6.987  -5.488
   21PA   Ca27915579  -4.818   6.955  -5.697
   21PA    O28015580  -4.696   6.959  -5.705
   21PA    N28115581  -4.880   6.850  -5.750
   21PA   Hn28215582  -4.976   6.875  -5.768
   21PA   Ch28315583  -4.857   6.709  -5.721
   21PA    H28415584  -4.793   6.670  -5.799
   21PA    H28515585  -4.789   6.709  -5.636
   21PA   Ch28615586  -4.980   6.622  -5.697
   21PA    H28715587  -4.997   6.593  -5.801
   21PA    H28815588  -5.059   6.681  -5.653
   21PA   Ch28915589  -4.986   6.503  -5.603
   21PA    H29015590  -4.954   6.533  -5.503
   21PA    H29115591  -5.092   6.479  -5.606
   21PA   Ch29215592  -4.889   6.397  -5.653
   21PA    H29315593  -4.788   6.438  -5.643
   21PA    H29415594  -4.905   6.369  -5.758
   21PA   Ch29515595  -4.909   6.266  -5.579
   21PA    H29615596  -4.825   6.202  -5.607
   21PA    H29715597  -4.897   6.296  -5.475
   21PA   Ch29815598  -5.049   6.208  -5.596
   21PA    H29915599  -5.133   6.277  -5.609
   21PA    H30015600  -5.071   6.152  -5.505
   21PA    N30115601  -5.033   6.115  -5.706
   21PA   Hn30215602  -4.989   6.150  -5.790
   21PA   Ca30315603  -5.123   6.022  -5.738
   21PA    O30415604  -5.131   5.918  -5.672
   21PA   Ch30515605  -5.251   6.045  -5.818
   21PA    H30615606  -5.226   6.102  -5.907
   21PA    H30715607  -5.297   5.955  -5.858
   21PA   Ch30815608  -5.355   6.133  -5.750
   21PA    H30915609  -5.332   6.217  -5.684
   21PA    H31015610  -5.386   6.054  -5.681
   21PA   Ch31115611  -5.489   6.163  -5.816
   21PA    H31215612  -5.536   6.066  -5.828
   21PA    H31315613  -5.551   6.225  -5.750
   21PA   Ch31415614  -5.484   6.252  -5.940
   21PA    H31515615  -5.388   6.293  -5.973
   21PA    H31615616  -5.539   6.344  -5.919
   21PA   Ca31715617  -5.521   6.196  -6.076
   21PA    O31815618  -5.446   6.135  -6.152
   21PA    N31915619  -5.651   6.169  -6.090
   21PA   Hn32015620  -5.664   6.176  -5.991
   21PA   Ch32115621  -5.764   6.222  -6.163
   21PA    H32215622  -5.786   6.326  -6.137
   21PA    H32315623  -5.723   6.234  -6.264
   21PA   Ch32415624  -5.890   6.136  -6.163
   21PA    H32515625  -5.888   6.048  -6.100
   21PA    H32615626  -5.884   6.105  -6.267
   21PA   Ch32715627  -6.024   6.201  -6.128
   21PA    H32815628  -6.097   6.234  -6.201
   21PA    H32915629  -6.089   6.123  -6.089
   21PA   Ch33015630  -6.022   6.280  -5.998
   21PA    H33115631  -6.127   6.283  -5.969
   21PA    H33215632  -5.979   6.380  -6.012
   21PA   Ch33315633  -5.944   6.217  -5.883
   21PA    H33415634  -5.931   6.109  -5.892
   21PA    H33515635  -5.841   6.248  -5.900
   21PA   Ch33615636  -5.993   6.289  -5.758
   21PA    H33715637  -6.098   6.269  -5.738
   21PA    H33815638  -5.977   6.396  -5.776
   21PA    N33915639  -5.912   6.257  -5.643
   21PA   Hn34015640  -5.820   6.218  -5.634
   21PA   Ca34115641  -5.959   6.280  -5.520
   21PA    O34215642  -6.054   6.223  -5.468
   21PA   Ch34315643  -5.903   6.400  -5.445
   21PA    H34415644  -5.979   6.471  -5.477
   21PA    H34515645  -5.907   6.382  -5.338
   21PA   Ch34615646  -5.763   6.458  -5.466
   21PA    H34715647  -5.771   6.566  -5.458
   21PA    H34815648  -5.731   6.422  -5.564
   21PA   Ch34915649  -5.655   6.418  -5.366
   21PA    H35015650  -5.703   6.437  -5.270
   21PA    H35115651  -5.630   6.312  -5.360
   21PA   Ch35215652  -5.531   6.504  -5.347
   21PA    H35315653  -5.558   6.562  -5.258
   21PA    H35415654  -5.499   6.572  -5.426
   21PA   Ca35515655  -5.404   6.432  -5.302
   21PA    O35615656  -5.312   6.436  -5.383
   21PA    N35715657  -5.388   6.394  -5.175
   21PA   Hn35815658  -5.408   6.480  -5.125
   21PA   Ch35915659  -5.408   6.270  -5.103
   21PA    H36015660  -5.446   6.205  -5.182
   21PA    H36115661  -5.326   6.216  -5.055
   21PA   Ch36215662  -5.503   6.300  -4.988
   21PA    H36315663  -5.600   6.287  -5.036
   21PA    H36415664  -5.500   6.398  -4.941
   21PA   Ch36515665  -5.506   6.191  -4.881
   21PA    H36615666  -5.476   6.095  -4.924
   21PA    H36715667  -5.436   6.215  -4.802
   21PA   Ch36815668  -5.642   6.182  -4.812
   21PA    H36915669  -5.708   6.134  -4.884
   21PA    H37015670  -5.692   6.277  -4.793
   21PA   Ch37115671  -5.655   6.077  -4.703
   21PA    H37215672  -5.697   5.986  -4.746
   21PA    H37315673  -5.558   6.065  -4.656
   21PA   Ch37415674  -5.762   6.114  -4.600
   21PA    H37515675  -5.855   6.141  -4.650
   21PA    H37615676  -5.797   6.020  -4.557
   21PA    N37715677  -5.722   6.217  -4.505
   21PA   Hn37815678  -5.624   6.234  -4.522
   21PA   Ca37915679  -5.780   6.231  -4.386
   21PA    O38015680  -5.879   6.305  -4.384
   21PA   Ch38115681  -5.727   6.162  -4.261
   21PA    H38215682  -5.629   6.207  -4.245
   21PA    H38315683  -5.794   6.195  -4.181
   21PA   Ch38415684  -5.714   6.011  -4.258
   21PA    H38515685  -5.664   5.958  -4.340
   21PA    H38615686  -5.805   5.957  -4.283
   21PA   Ch38715687  -5.683   5.944  -4.124
   21PA    H38815688  -5.602   5.985  -4.064
   21PA    H38915689  -5.771   5.951  -4.061
   21PA   Ch39015690  -5.645   5.797  -4.138
   21PA    H39115691  -5.538   5.801  -4.157
   21PA    H39215692  -5.682   5.743  -4.225
   21PA   Ca39315693  -5.672   5.690  -4.034
   21PA    O39415694  -5.586   5.700  -3.947
   21PA    N39515695  -5.796   5.645  -4.010
   21PA   Hn39615696  -5.812   5.589  -4.092
   21PA   Ch39715697  -5.896   5.659  -3.905
   21PA    H39815698  -5.834   5.681  -3.818
   21PA    H39915699  -5.960   5.746  -3.912
   21PA   Ch40015700  -6.001   5.549  -3.892
   21PA    H40115701  -5.966   5.459  -3.942
   21PA    H40215702  -6.091   5.566  -3.951
   21PA   Ch40315703  -6.022   5.523  -3.743
   21PA    H40415704  -5.934   5.493  -3.686
   21PA    H40515705  -6.050   5.607  -3.679
   21PA   Ch40615706  -6.120   5.408  -3.725
   21PA    H40715707  -6.068   5.318  -3.758
   21PA    H40815708  -6.214   5.434  -3.775
   21PA   Ch40915709  -6.164   5.391  -3.581
   21PA    H41015710  -6.069   5.387  -3.528
   21PA    H41115711  -6.197   5.495  -3.576
   21PA   Ch41215712  -6.245   5.263  -3.562
   21PA    H41315713  -6.180   5.189  -3.516
   21PA    H41415714  -6.296   5.238  -3.655
   21PA    N41515715  -6.335   5.273  -3.449
   21PA   Hn41615716  -6.377   5.365  -3.440
   21PA   Ca41715717  -6.413   5.177  -3.399
   21PA    O41815718  -6.358   5.079  -3.348
   21PA   Ch41915719  -6.556   5.161  -3.447
   21PA    H42015720  -6.570   5.215  -3.540
   21PA    H42115721  -6.568   5.055  -3.471
   21PA   Ch42215722  -6.660   5.229  -3.359
   21PA    H42315723  -6.656   5.338  -3.355
   21PA    H42415724  -6.654   5.209  -3.252
   21PA   Ch42515725  -6.803   5.175  -3.364
   21PA    H42615726  -6.844   5.194  -3.463
   21PA    H42715727  -6.801   5.066  -3.369
   21PA   Ch42815728  -6.893   5.252  -3.270
   21PA    H42915729  -6.943   5.329  -3.330
   21PA    H43015730  -6.831   5.297  -3.192
   21PA   Ca43115731  -6.993   5.175  -3.184
   21PA    O43215732  -6.969   5.066  -3.133
   21PA    N43315733  -7.114   5.229  -3.201
   21PA   Hn43415734  -7.101   5.318  -3.156
   21PA   Ch43515735  -7.241   5.175  -3.246
   21PA    H43615736  -7.226   5.109  -3.331
   21PA    H43715737  -7.290   5.105  -3.179
   21PA   Ch43815738  -7.339   5.285  -3.285
   21PA    H43915739  -7.316   5.324  -3.384
   21PA    H44015740  -7.326   5.367  -3.214
   21PA   Ch44115741  -7.485   5.250  -3.312
   21PA    H44215742  -7.490   5.169  -3.384
   21PA    H44315743  -7.524   5.201  -3.223
   21PA   Ch44415744  -7.577   5.366  -3.348
   21PA    H44515745  -7.553   5.407  -3.447
   21PA    H44615746  -7.565   5.446  -3.274
   21PA   Ch44715747  -7.722   5.324  -3.333
   21PA    H44815748  -7.754   5.272  -3.423
   21PA    H44915749  -7.744   5.254  -3.252
   21PA   Ch45015750  -7.806   5.449  -3.307
   21PA    H45115751  -7.758   5.526  -3.368
   21PA    H45215752  -7.792   5.499  -3.211
   21PA    N45315753  -7.944   5.426  -3.343
   21PA   Hn45415754  -7.947   5.337  -3.390
   21PA   Ca45515755  -8.060   5.434  -3.277
   21PA    O45615756  -8.116   5.541  -3.257
   21PA   Ch45715757  -8.133   5.309  -3.229
   21PA    H45815758  -8.224   5.309  -3.290
   21PA    H45915759  -8.075   5.222  -3.259
   21PA   Ch46015760  -8.178   5.292  -3.084
   21PA    H46115761  -8.239   5.202  -3.077
   21PA    H46215762  -8.263   5.354  -3.057
   21PA   Ch46315763  -8.080   5.298  -2.968
   21PA    H46415764  -8.050   5.194  -2.960
   21PA    H46515765  -8.001   5.359  -3.012
   21PA   Ch46615766  -8.133   5.343  -2.832
   21PA    H46715767  -8.198   5.429  -2.828
   21PA    H46815768  -8.039   5.375  -2.788
   21PA   Ca46915769  -8.199   5.233  -2.750
   21PA    O47015770  -8.291   5.166  -2.796
   21PA    N47115771  -8.174   5.198  -2.623
   21PA   Hn47215772  -8.177   5.281  -2.566
   21PA   Ch47315773  -8.119   5.089  -2.544
   21PA    H47415774  -8.122   4.999  -2.605
   21PA    H47515775  -8.013   5.108  -2.533
   21PA   Ch47615776  -8.183   5.084  -2.406
   21PA    H47715777  -8.263   5.158  -2.408
   21PA    H47815778  -8.107   5.141  -2.353
   21PA   Ch47915779  -8.210   4.944  -2.352
   21PA    H48015780  -8.118   4.892  -2.376
   21PA    H48115781  -8.189   4.938  -2.245
   21PA   Ch48215782  -8.330   4.871  -2.412
   21PA    H48315783  -8.312   4.850  -2.517
   21PA    H48415784  -8.422   4.929  -2.409
   21PA   Ch48515785  -8.342   4.729  -2.358
   21PA    H48615786  -8.246   4.682  -2.336
   21PA    H48715787  -8.397   4.730  -2.263
   21PA   Ch48815788  -8.421   4.626  -2.438
   21PA    H48915789  -8.368   4.607  -2.531
   21PA    H49015790  -8.520   4.664  -2.463
   21PA    N49115791  -8.423   4.508  -2.354
   21PA   Hn49215792  -8.346   4.474  -2.298
   21PA   Ca49315793  -8.483   4.396  -2.394
   21PA    O49415794  -8.603   4.379  -2.373
   21PA   Ch49515795  -8.398   4.294  -2.469
   21PA    H49615796  -8.464   4.254  -2.546
   21PA    H49715797  -8.320   4.342  -2.528
   21PA   Ch49815798  -8.320   4.198  -2.382
   21PA    H49915799  -8.384   4.164  -2.300
   21PA    H50015800  -8.244   4.253  -2.327
   21PA   Ch50115801  -8.287   4.060  -2.437
   21PA    H50215802  -8.370   4.006  -2.482
   21PA    H50315803  -8.210   4.071  -2.513
   21PA   Ch50415804  -8.213   3.977  -2.334
   21PA    H50515805  -8.254   3.984  -2.233
   21PA    H50615806  -8.121   4.030  -2.308
   21PA   Ca50715807  -8.163   3.838  -2.374
   21PA    O50815808  -8.044   3.810  -2.376
   21PA    N50915809  -8.251   3.738  -2.364
   21PA   Hn51015810  -8.336   3.788  -2.388
   21PA   Ch51115811  -8.240   3.624  -2.275
   21PA    H51215812  -8.187   3.546  -2.330
   21PA    H51315813  -8.172   3.658  -2.197
   21PA   Ch51415814  -8.378   3.589  -2.220
   21PA    H51515815  -8.432   3.553  -2.307
   21PA    H51615816  -8.440   3.677  -2.204
   21PA   Ch51715817  -8.379   3.506  -2.093
   21PA    H51815818  -8.309   3.422  -2.090
   21PA    H51915819  -8.344   3.585  -2.026
   21PA   Ch52015820  -8.513   3.442  -2.061
   21PA    H52115821  -8.509   3.341  -2.021
   21PA    H52215822  -8.547   3.429  -2.164
   21PA   Ch52315823  -8.604   3.519  -1.965
   21PA    H52415824  -8.621   3.624  -1.985
   21PA    H52515825  -8.704   3.477  -1.977
   21PA   Ch52615826  -8.559   3.512  -1.820
   21PA    H52715827  -8.456   3.540  -1.797
   21PA    H52815828  -8.577   3.406  -1.804
   21PA    N52915829  -8.648   3.596  -1.741
   21PA   Hn53015830  -8.718   3.644  -1.795
   21PA   Ca53115831  -8.650   3.628  -1.612
   21PA    O53215832  -8.563   3.691  -1.551
   21PA   Ch53315833  -8.727   3.529  -1.526
   21PA    H53415834  -8.808   3.503  -1.593
   21PA    H53515835  -8.783   3.579  -1.447
   21PA   Ch53615836  -8.658   3.403  -1.473
   21PA    H53715837  -8.560   3.438  -1.441
   21PA    H53815838  -8.652   3.360  -1.573
   21PA   Ch53915839  -8.734   3.324  -1.368
   21PA    H54015840  -8.785   3.384  -1.292
   21PA    H54115841  -8.803   3.258  -1.421
   21PA   Ch54215842  -8.646   3.244  -1.274
   21PA    H54315843  -8.579   3.314  -1.223
   21PA    H54415844  -8.606   3.174  -1.347
   21PA   Ca54515845  -8.722   3.156  -1.175
   21PA    O54615846  -8.829   3.097  -1.189
   21PA    N54715847  -8.651   3.137  -1.064
   21PA   Hn54815848  -8.621   3.205  -0.995
   21PA   Ch54915849  -8.596   3.004  -1.052
   21PA    H55015850  -8.673   2.929  -1.075
   21PA    H55115851  -8.513   2.980  -1.118
   21PA   Ch55215852  -8.547   2.977  -0.910
   21PA    H55315853  -8.555   3.060  -0.839
   21PA    H55415854  -8.440   2.977  -0.932
   21PA   Ch55515855  -8.605   2.865  -0.825
   21PA    H55615856  -8.677   2.882  -0.745
   21PA    H55715857  -8.658   2.807  -0.901
   21PA   Ch55815858  -8.503   2.781  -0.749
   21PA    H55915859  -8.405   2.806  -0.789
   21PA    H56015860  -8.500   2.673  -0.765
   21PA   Ch56115861  -8.497   2.806  -0.599
   21PA    H56215862  -8.435   2.894  -0.582
   21PA    H56315863  -8.598   2.824  -0.562
   21PA   Ch56415864  -8.441   2.707  -0.497
   21PA    H56515865  -8.332   2.703  -0.487
   21PA    H56615866  -8.452   2.610  -0.546
   21PA    N56715867  -8.492   2.720  -0.362
   21PA   Hn56815868  -8.592   2.709  -0.357
   21PA   Ca56915869  -8.452   2.769  -0.245
   21PA    O57015870  -8.392   2.877  -0.245
   21PA   Ch57115871  -8.426   2.660  -0.142
   21PA    H57215872  -8.336   2.600  -0.153
   21PA    H57315873  -8.414   2.728  -0.058
   21PA   Ch57415874  -8.552   2.587  -0.097
   21PA    H57515875  -8.612   2.543  -0.177
   21PA    H57615876  -8.627   2.646  -0.043
   21PA   Ch57715877  -8.554   2.470   0.001
   21PA    H57815878  -8.503   2.389  -0.050
   21PA    H57915879  -8.486   2.499   0.081
   21PA   Ch58015880  -8.691   2.417   0.042
   21PA    H58115881  -8.746   2.504   0.077
   21PA    H58215882  -8.651   2.376   0.136
   21PA   Ca58315883  -8.760   2.306  -0.036
   21PA    O58415884  -8.815   2.345  -0.139
   21PA    N58515885  -8.712   2.182  -0.027
   21PA   Hn58615886  -8.703   2.162   0.072
   21PA   Ch58715887  -8.633   2.108  -0.123
   21PA    H58815888  -8.690   2.065  -0.205
   21PA    H58915889  -8.545   2.171  -0.137
   21PA   Ch59015890  -8.567   1.999  -0.039
   21PA    H59115891  -8.626   1.963   0.045
   21PA    H59215892  -8.466   2.025  -0.006
   21PA   Ch59315893  -8.555   1.873  -0.124
   21PA    H59415894  -8.616   1.865  -0.213
   21PA    H59515895  -8.453   1.902  -0.149
   21PA   Ch59615896  -8.557   1.749  -0.035
   21PA    H59715897  -8.663   1.742  -0.008
   21PA    H59815898  -8.511   1.768   0.062
   21PA   Ch59915899  -8.504   1.628  -0.110
   21PA    H60015900  -8.421   1.657  -0.174
   21PA    H60115901  -8.471   1.557  -0.035
   21PA   Ch60215902  -8.601   1.560  -0.206
   21PA    H60315903  -8.553   1.550  -0.304
   21PA    H60415904  -8.669   1.643  -0.225
   21PA    N60515905  -8.677   1.440  -0.176
   21PA   Hn60615906  -8.643   1.346  -0.185
   21PA   Ca60715907  -8.808   1.426  -0.153
   21PA    O60815908  -8.863   1.516  -0.090
   21PA   Ch60915909  -8.905   1.364  -0.253
   21PA    H61015910  -8.925   1.440  -0.329
   21PA    H61115911  -8.834   1.314  -0.320
   21PA   Ch61215912  -9.026   1.279  -0.218
   21PA    H61315913  -9.095   1.361  -0.194
   21PA    H61415914  -9.002   1.218  -0.132
   21PA   Ch61515915  -9.066   1.198  -0.341
   21PA    H61615916  -9.174   1.197  -0.329
   21PA    H61715917  -9.054   1.246  -0.438
   21PA   Ch61815918  -9.051   1.047  -0.330
   21PA    H61915919  -9.137   1.006  -0.277
   21PA    H62015920  -8.957   1.042  -0.275
   21PA   Ca62115921  -9.040   0.977  -0.465
   21PA    O62215922  -9.014   1.023  -0.576
   21PA    N62315923  -9.043   0.845  -0.448
   21PA   Hn62415924  -9.120   0.807  -0.394
   21PA   Ch62515925  -8.928   0.760  -0.472
   21PA    H62615926  -8.868   0.813  -0.547
   21PA    H62715927  -8.853   0.739  -0.395
   21PA   Ch62815928  -8.978   0.616  -0.482
   21PA    H62915929  -9.059   0.584  -0.416
   21PA    H63015930  -8.888   0.561  -0.454
   21PA   Ch63115931  -9.017   0.583  -0.625
   21PA    H63215932  -9.084   0.651  -0.677
   21PA    H63315933  -8.925   0.583  -0.684
   21PA   Ch63415934  -9.083   0.446  -0.638
   21PA    H63515935  -9.157   0.454  -0.558
   21PA    H63615936  -9.011   0.369  -0.612
   21PA   Ch63715937  -9.126   0.399  -0.776
   21PA    H63815938  -9.228   0.359  -0.785
   21PA    H63915939  -9.164   0.480  -0.839
   21PA   Ch64015940  -9.040   0.309  -0.863
   21PA    H64115941  -9.061   0.211  -0.819
   21PA    H64215942  -8.936   0.342  -0.865
   21PA    N64315943  -9.075   0.298  -1.003
   21PA   Hn64415944  -9.173   0.320  -1.018
   21PA   Ca64515945  -8.981   0.309  -1.097
   21PA    O64615946  -8.886   0.231  -1.103
   21PA   Ch64715947  -8.973   0.439  -1.175
   21PA    H64815948  -9.068   0.491  -1.180
   21PA    H64915949  -8.895   0.501  -1.130
   21PA   Ch65015950  -8.931   0.426  -1.321
   21PA    H65115951  -8.919   0.325  -1.361
   21PA    H65215952  -8.839   0.481  -1.336
   21PA   Ch65315953  -9.040   0.464  -1.420
   21PA    H65415954  -9.120   0.390  -1.411
   21PA    H65515955  -9.079   0.562  -1.391
   21PA   Ch65615956  -9.026   0.462  -1.571
   21PA    H65715957  -9.001   0.364  -1.610
   21PA    H65815958  -8.929   0.508  -1.595
   21PA   Ca65915959  -9.152   0.514  -1.638
   21PA    O66015960  -9.233   0.432  -1.681
   21PA    N66115961  -9.143   0.639  -1.685
   21PA   Hn66215962  -9.051   0.640  -1.728
   21PA   Ch66315963  -9.206   0.757  -1.628
   21PA    H66415964  -9.223   0.744  -1.521
   21PA    H66515965  -9.134   0.838  -1.638
   21PA   Ch66615966  -9.339   0.776  -1.699
   21PA    H66715967  -9.376   0.861  -1.642
   21PA    H66815968  -9.422   0.708  -1.680
   21PA   Ch66915969  -9.314   0.836  -1.837
   21PA    H67015970  -9.274   0.937  -1.836
   21PA    H67115971  -9.236   0.783  -1.893
   21PA   Ch67215972  -9.444   0.856  -1.912
   21PA    H67315973  -9.411   0.901  -2.006
   21PA    H67415974  -9.506   0.934  -1.868
   21PA   Ch67515975  -9.548   0.747  -1.935
   21PA    H67615976  -9.499   0.700  -2.020
   21PA    H67715977  -9.571   0.680  -1.852
   21PA   Ch67815978  -9.693   0.784  -1.963
   21PA    H67915979  -9.676   0.882  -2.008
   21PA    H68015980  -9.752   0.790  -1.871
   21PA    N68115981  -9.751   0.684  -2.050
   21PA   Hn68215982  -9.743   0.584  -2.035
   21PA   Ca68315983  -9.861   0.708  -2.121
   21PA    O68415984  -9.858   0.779  -2.222
   21PA   Ch68515985  -9.991   0.643  -2.074
   21PA    H68615986  -9.983   0.640  -1.966
   21PA    H68715987 -10.083   0.686  -2.113
   21PA   Ch68815988 -10.023   0.497  -2.098
   21PA    H68915989 -10.114   0.462  -2.048
   21PA    H69015990  -9.950   0.429  -2.055
   21PA   Ch69115991 -10.041   0.472  -2.247
   21PA    H69215992 -10.133   0.524  -2.271
   21PA    H69315993  -9.947   0.500  -2.296
   21PA   Ch69415994 -10.068   0.329  -2.292
   21PA    H69515995 -10.140   0.296  -2.216
   21PA    H69615996  -9.968   0.287  -2.282
   21PA   Ca69715997 -10.133   0.283  -2.422
   21PA    O69815998 -10.236   0.217  -2.408
   21PA    N69915999 -10.122   0.355  -2.534
   21PA   Hn70016000 -10.026   0.362  -2.566
   21PA   Ch70116001 -10.207   0.463  -2.579
   21PA    H70216002 -10.236   0.528  -2.497
   21PA    H70316003 -10.142   0.532  -2.634
   21PA   Ch70416004 -10.314   0.421  -2.679
   21PA    H70516005 -10.373   0.332  -2.656
   21PA    H70616006 -10.263   0.409  -2.775
   21PA   Ch70716007 -10.406   0.531  -2.729
   21PA    H70816008 -10.485   0.495  -2.796
   21PA    H70916009 -10.451   0.581  -2.643
   21PA   Ch71016010 -10.348   0.655  -2.795
   21PA    H71116011 -10.242   0.654  -2.771
   21PA    H71216012 -10.401   0.740  -2.753
   21PA   Ch71316013 -10.350   0.665  -2.947
   21PA    H71416014 -10.277   0.591  -2.978
   21PA    H71516015 -10.453   0.644  -2.978
   21PA   Ch71616016 -10.287   0.790  -3.006
   21PA    H71716017 -10.179   0.781  -3.017
   21PA    H71816018 -10.293   0.882  -2.948
   21PA    N71916019 -10.351   0.804  -3.136
   21PA   Hn72016020 -10.379   0.724  -3.191
   21PA   Ca72116021 -10.332   0.902  -3.224
   21PA    O72216022 -10.353   1.015  -3.180
   21PA   Ch72316023 -10.287   0.866  -3.365
   21PA    H72416024 -10.385   0.887  -3.408
   21PA    H72516025 -10.239   0.957  -3.401
   21PA   Ch72616026 -10.242   0.729  -3.412
   21PA    H72716027 -10.316   0.656  -3.445
   21PA    H72816028 -10.215   0.671  -3.324
   21PA   Ch72916029 -10.118   0.740  -3.501
   21PA    H73016030 -10.122   0.821  -3.573
   21PA    H73116031 -10.032   0.765  -3.439
   21PA   Ch73216032 -10.095   0.609  -3.574
   21PA    H73316033 -10.041   0.622  -3.668
   21PA    H73416034 -10.194   0.564  -3.574
   21PA   Ca73516035 -10.022   0.497  -3.502
   21PA    O73616036 -10.087   0.413  -3.440
   21PA    N73716037  -9.890   0.509  -3.484
   21PA   Hn73816038  -9.871   0.577  -3.411
   21PA   Ch73916039  -9.788   0.442  -3.562
   21PA    H74016040  -9.759   0.352  -3.507
   21PA    H74116041  -9.818   0.391  -3.654
   21PA   Ch74216042  -9.665   0.531  -3.577
   21PA    H74316043  -9.634   0.542  -3.473
   21PA    H74416044  -9.679   0.633  -3.612
   21PA   Ch74516045  -9.565   0.450  -3.658
   21PA    H74616046  -9.512   0.391  -3.583
   21PA    H74716047  -9.605   0.388  -3.739
   21PA   Ch74816048  -9.454   0.537  -3.716
   21PA    H74916049  -9.432   0.615  -3.644
   21PA    H75016050  -9.519   0.580  -3.792
   21PA   Ch75116051  -9.326   0.486  -3.781
   21PA    H75216052  -9.347   0.382  -3.806
   21PA    H75316053  -9.305   0.524  -3.881
   21PA   Ch75416054  -9.209   0.498  -3.685
   21PA    H75516055  -9.234   0.476  -3.581
   21PA    H75616056  -9.183   0.604  -3.672
   21PA    N75716057  -9.092   0.417  -3.715
   21PA   Hn75816058  -9.003   0.465  -3.705
   21PA   Ca75916059  -9.077   0.285  -3.717
   21PA    O76016060  -9.129   0.215  -3.804
   21PA   Ch76116061  -9.005   0.235  -3.593
   21PA    H76216062  -8.900   0.256  -3.614
   21PA    H76316063  -9.048   0.278  -3.502
   21PA    H76416064  -4.853   6.665  -6.962
   21PA    H76516065  -9.033   0.133  -3.567
   22PA     Ch116066   8.558 -12.487   5.152
   22PA      H216067   8.638 -12.459   5.219
   22PA      H316068   8.475 -12.416   5.161
   22PA     Ch416069   8.515 -12.634   5.155
   22PA      H516070   8.437 -12.630   5.079
   22PA      H616071   8.449 -12.645   5.241
   22PA     Ch716072   8.614 -12.749   5.140
   22PA      H816073   8.683 -12.745   5.223
   22PA      H916074   8.564 -12.838   5.177
   22PA    Ch1016075   8.689 -12.762   5.008
   22PA     H1116076   8.698 -12.672   4.947
   22PA     H1216077   8.645 -12.831   4.936
   22PA    Ca1316078   8.841 -12.775   5.010
   22PA     O1416079   8.900 -12.844   4.928
   22PA     N1516080   8.900 -12.660   5.043
   22PA    Hn1616081   8.862 -12.601   5.116
   22PA    Ch1716082   8.958 -12.561   4.954
   22PA     H1816083   9.064 -12.568   4.980
   22PA     H1916084   8.948 -12.602   4.854
   22PA    Ch2016085   8.883 -12.430   4.975
   22PA     H2116086   8.877 -12.397   5.079
   22PA     H2216087   8.777 -12.418   4.951
   22PA    Ch2316088   8.965 -12.317   4.914
   22PA     H2416089   9.072 -12.332   4.930
   22PA     H2516090   8.984 -12.324   4.807
   22PA    Ch2616091   8.919 -12.178   4.958
   22PA     H2716092   8.999 -12.116   4.998
   22PA     H2816093   8.852 -12.169   5.043
   22PA    Ch2916094   8.869 -12.094   4.841
   22PA     H3016095   8.935 -12.085   4.755
   22PA     H3116096   8.784 -12.141   4.792
   22PA    Ch3216097   8.817 -11.958   4.886
   22PA     H3316098   8.894 -11.897   4.935
   22PA     H3416099   8.739 -11.978   4.959
   22PA     N3516100   8.791 -11.871   4.773
   22PA    Hn3616101   8.810 -11.925   4.690
   22PA    Ca3716102   8.682 -11.804   4.736
   22PA     O3816103   8.689 -11.682   4.722
   22PA    Ch3916104   8.580 -11.885   4.658
   22PA     H4016105   8.593 -11.861   4.552
   22PA     H4116106   8.615 -11.987   4.672
   22PA    Ch4216107   8.431 -11.859   4.681
   22PA     H4316108   8.371 -11.875   4.592
   22PA     H4416109   8.422 -11.751   4.695
   22PA    Ch4516110   8.375 -11.924   4.806
   22PA     H4616111   8.414 -12.026   4.818
   22PA     H4716112   8.416 -11.862   4.886
   22PA    Ch4816113   8.224 -11.907   4.810
   22PA     H4916114   8.181 -11.910   4.710
   22PA     H5016115   8.217 -11.801   4.832
   22PA    Ca5116116   8.149 -11.985   4.918
   22PA     O5216117   8.202 -12.011   5.026
   22PA     N5316118   8.050 -12.062   4.873
   22PA    Hn5416119   7.965 -12.006   4.877
   22PA    Ch5516120   8.054 -12.192   4.809
   22PA     H5616121   8.095 -12.165   4.711
   22PA     H5716122   8.109 -12.270   4.861
   22PA    Ch5816123   7.915 -12.253   4.802
   22PA     H5916124   7.843 -12.182   4.764
   22PA     H6016125   7.867 -12.271   4.898
   22PA    Ch6116126   7.890 -12.379   4.719
   22PA     H6216127   7.941 -12.466   4.762
   22PA     H6316128   7.788 -12.407   4.745
   22PA    Ch6416129   7.911 -12.388   4.569
   22PA     H6516130   8.015 -12.417   4.552
   22PA     H6616131   7.892 -12.295   4.514
   22PA    Ch6716132   7.823 -12.480   4.487
   22PA     H6816133   7.890 -12.566   4.495
   22PA     H6916134   7.733 -12.508   4.542
   22PA    Ch7016135   7.800 -12.437   4.343
   22PA     H7116136   7.833 -12.334   4.330
   22PA     H7216137   7.696 -12.426   4.310
   22PA     N7316138   7.876 -12.519   4.251
   22PA    Hn7416139   7.839 -12.612   4.239
   22PA    Ca7516140   7.963 -12.481   4.156
   22PA     O7616141   8.077 -12.450   4.190
   22PA    Ch7716142   7.925 -12.468   4.010
   22PA     H7816143   7.837 -12.406   4.026
   22PA     H7916144   7.999 -12.430   3.940
   22PA    Ch8016145   7.921 -12.601   3.935
   22PA     H8116146   7.889 -12.679   4.004
   22PA     H8216147   8.010 -12.643   3.887
   22PA    Ch8316148   7.836 -12.598   3.809
   22PA     H8416149   7.831 -12.490   3.793
   22PA     H8516150   7.883 -12.614   3.711
   22PA    Ch8616151   7.698 -12.660   3.815
   22PA     H8716152   7.631 -12.576   3.797
   22PA     H8816153   7.664 -12.666   3.918
   22PA    Ca8916154   7.662 -12.777   3.724
   22PA     O9016155   7.735 -12.869   3.686
   22PA     N9116156   7.533 -12.775   3.689
   22PA    Hn9216157   7.523 -12.701   3.621
   22PA    Ch9316158   7.415 -12.841   3.741
   22PA     H9416159   7.456 -12.936   3.775
   22PA     H9516160   7.382 -12.793   3.833
   22PA    Ch9616161   7.299 -12.862   3.644
   22PA     H9716162   7.269 -12.963   3.619
   22PA     H9816163   7.318 -12.823   3.544
   22PA    Ch9916164   7.167 -12.791   3.667
   22PA    H10016165   7.142 -12.812   3.771
   22PA    H10116166   7.175 -12.682   3.673
   22PA   Ch10216167   7.054 -12.853   3.586
   22PA    H10316168   7.020 -12.952   3.617
   22PA    H10416169   7.085 -12.875   3.483
   22PA   Ch10516170   6.922 -12.778   3.591
   22PA    H10616171   6.940 -12.671   3.574
   22PA    H10716172   6.870 -12.811   3.501
   22PA   Ch10816173   6.842 -12.799   3.719
   22PA    H10916174   6.906 -12.816   3.806
   22PA    H11016175   6.799 -12.897   3.701
   22PA    N11116176   6.728 -12.713   3.742
   22PA   Hn11216177   6.640 -12.738   3.699
   22PA   Ca11316178   6.722 -12.604   3.819
   22PA    O11416179   6.773 -12.496   3.789
   22PA   Ch11516180   6.671 -12.629   3.961
   22PA    H11616181   6.567 -12.638   3.930
   22PA    H11716182   6.703 -12.728   3.993
   22PA   Ch11816183   6.681 -12.518   4.065
   22PA    H11916184   6.623 -12.431   4.036
   22PA    H12016185   6.784 -12.483   4.072
   22PA   Ch12116186   6.633 -12.561   4.203
   22PA    H12216187   6.540 -12.614   4.224
   22PA    H12316188   6.704 -12.642   4.224
   22PA   Ch12416189   6.657 -12.440   4.291
   22PA    H12516190   6.584 -12.475   4.364
   22PA    H12616191   6.586 -12.360   4.268
   22PA   Ca12716192   6.788 -12.391   4.352
   22PA    O12816193   6.842 -12.293   4.302
   22PA    N12916194   6.841 -12.453   4.458
   22PA   Hn13016195   6.783 -12.421   4.535
   22PA   Ch13116196   6.967 -12.524   4.461
   22PA    H13216197   7.037 -12.490   4.384
   22PA    H13316198   7.009 -12.481   4.552
   22PA   Ch13416199   6.948 -12.673   4.485
   22PA    H13516200   6.895 -12.720   4.402
   22PA    H13616201   6.897 -12.689   4.581
   22PA   Ch13716202   7.083 -12.741   4.507
   22PA    H13816203   7.148 -12.720   4.422
   22PA    H13916204   7.135 -12.691   4.589
   22PA   Ch14016205   7.075 -12.885   4.556
   22PA    H14116206   6.993 -12.936   4.506
   22PA    H14216207   7.045 -12.902   4.659
   22PA   Ch14316208   7.194 -12.977   4.532
   22PA    H14416209   7.261 -12.954   4.449
   22PA    H14516210   7.264 -12.921   4.593
   22PA   Ch14616211   7.169 -13.123   4.568
   22PA    H14716212   7.144 -13.128   4.674
   22PA    H14816213   7.092 -13.146   4.494
   22PA    N14916214   7.284 -13.208   4.543
   22PA   Hn15016215   7.368 -13.173   4.500
   22PA   Ca15116216   7.315 -13.333   4.579
   22PA    O15216217   7.301 -13.360   4.698
   22PA   Ch15316218   7.287 -13.444   4.479
   22PA    H15416219   7.199 -13.428   4.418
   22PA    H15516220   7.243 -13.533   4.525
   22PA   Ch15616221   7.401 -13.495   4.391
   22PA    H15716222   7.468 -13.409   4.402
   22PA    H15816223   7.437 -13.588   4.435
   22PA   Ch15916224   7.392 -13.531   4.243
   22PA    H16016225   7.456 -13.468   4.181
   22PA    H16116226   7.461 -13.615   4.247
   22PA   Ch16216227   7.269 -13.580   4.170
   22PA    H16316228   7.201 -13.496   4.155
   22PA    H16416229   7.203 -13.649   4.223
   22PA   Ca16516230   7.294 -13.640   4.032
   22PA    O16616231   7.332 -13.575   3.935
   22PA    N16716232   7.213 -13.744   4.008
   22PA   Hn16816233   7.276 -13.823   4.010
   22PA   Ch16916234   7.088 -13.753   3.935
   22PA    H17016235   7.014 -13.711   4.003
   22PA    H17116236   7.081 -13.696   3.842
   22PA   Ch17216237   7.058 -13.900   3.914
   22PA    H17316238   6.956 -13.914   3.948
   22PA    H17416239   7.128 -13.968   3.964
   22PA   Ch17516240   7.045 -13.953   3.771
   22PA    H17616241   7.002 -14.051   3.755
   22PA    H17716242   6.990 -13.869   3.728
   22PA   Ch17816243   7.173 -13.948   3.689
   22PA    H17916244   7.260 -13.979   3.747
   22PA    H18016245   7.185 -13.840   3.674
   22PA   Ch18116246   7.174 -14.016   3.553
   22PA    H18216247   7.143 -14.118   3.577
   22PA    H18316248   7.097 -13.956   3.505
   22PA   Ch18416249   7.305 -14.003   3.477
   22PA    H18516250   7.378 -14.003   3.558
   22PA    H18616251   7.310 -13.902   3.435
   22PA    N18716252   7.341 -14.112   3.388
   22PA   Hn18816253   7.302 -14.203   3.368
   22PA   Ca18916254   7.441 -14.154   3.311
   22PA    O19016255   7.469 -14.094   3.208
   22PA   Ch19116256   7.535 -14.264   3.360
   22PA    H19216257   7.497 -14.319   3.446
   22PA    H19316258   7.524 -14.335   3.278
   22PA   Ch19416259   7.680 -14.224   3.379
   22PA    H19516260   7.731 -14.161   3.305
   22PA    H19616261   7.732 -14.320   3.368
   22PA   Ch19716262   7.710 -14.171   3.518
   22PA    H19816263   7.636 -14.117   3.578
   22PA    H19916264   7.705 -14.267   3.570
   22PA   Ch20016265   7.850 -14.117   3.541
   22PA    H20116266   7.853 -14.044   3.460
   22PA    H20216267   7.920 -14.192   3.503
   22PA   Ca20316268   7.885 -14.050   3.673
   22PA    O20416269   7.821 -14.075   3.774
   22PA    N20516270   7.995 -13.974   3.670
   22PA   Hn20616271   7.965 -13.896   3.612
   22PA   Ch20716272   8.138 -13.987   3.687
   22PA    H20816273   8.168 -13.918   3.767
   22PA    H20916274   8.154 -14.090   3.719
   22PA   Ch21016275   8.214 -13.933   3.567
   22PA    H21116276   8.174 -13.833   3.548
   22PA    H21216277   8.178 -13.998   3.488
   22PA   Ch21316278   8.364 -13.941   3.593
   22PA    H21416279   8.391 -13.974   3.694
   22PA    H21516280   8.383 -14.039   3.550
   22PA   Ch21616281   8.458 -13.849   3.516
   22PA    H21716282   8.400 -13.763   3.482
   22PA    H21816283   8.497 -13.873   3.417
   22PA   Ch21916284   8.579 -13.809   3.600
   22PA    H22016285   8.595 -13.703   3.584
   22PA    H22116286   8.554 -13.827   3.704
   22PA   Ch22216287   8.713 -13.882   3.598
   22PA    H22316288   8.679 -13.984   3.584
   22PA    H22416289   8.762 -13.853   3.691
   22PA    N22516290   8.807 -13.854   3.491
   22PA   Hn22616291   8.842 -13.928   3.433
   22PA   Ca22716292   8.900 -13.761   3.466
   22PA    O22816293   8.874 -13.642   3.477
   22PA   Ch22916294   9.041 -13.792   3.516
   22PA    H23016295   9.045 -13.781   3.624
   22PA    H23116296   9.062 -13.895   3.488
   22PA   Ch23216297   9.146 -13.719   3.433
   22PA    H23316298   9.134 -13.616   3.465
   22PA    H23416299   9.121 -13.715   3.327
   22PA   Ch23516300   9.294 -13.749   3.455
   22PA    H23616301   9.321 -13.740   3.561
   22PA    H23716302   9.288 -13.852   3.418
   22PA   Ch23816303   9.390 -13.653   3.386
   22PA    H23916304   9.330 -13.563   3.370
   22PA    H24016305   9.414 -13.696   3.289
   22PA   Ca24116306   9.521 -13.610   3.450
   22PA    O24216307   9.607 -13.564   3.374
   22PA    N24316308   9.545 -13.643   3.577
   22PA   Hn24416309   9.447 -13.638   3.601
   22PA   Ch24516310   9.636 -13.730   3.649
   22PA    H24616311   9.583 -13.821   3.676
   22PA    H24716312   9.730 -13.757   3.600
   22PA   Ch24816313   9.693 -13.650   3.766
   22PA    H24916314   9.652 -13.550   3.783
   22PA    H25016315   9.799 -13.639   3.741
   22PA   Ch25116316   9.701 -13.712   3.904
   22PA    H25216317   9.606 -13.760   3.929
   22PA    H25316318   9.783 -13.783   3.898
   22PA   Ch25416319   9.718 -13.610   4.015
   22PA    H25516320   9.693 -13.667   4.105
   22PA    H25616321   9.635 -13.539   4.016
   22PA   Ch25716322   9.852 -13.538   4.021
   22PA    H25816323   9.937 -13.604   4.039
   22PA    H25916324   9.880 -13.510   3.919
   22PA   Ch26016325   9.864 -13.410   4.103
   22PA    H26116326   9.760 -13.390   4.131
   22PA    H26216327   9.892 -13.314   4.057
   22PA    N26316328   9.919 -13.455   4.229
   22PA   Hn26416329   9.893 -13.550   4.248
   22PA   Ca26516330  10.036 -13.427   4.287
   22PA    O26616331  10.044 -13.312   4.328
   22PA   Ch26716332  10.154 -13.520   4.312
   22PA    H26816333  10.156 -13.559   4.210
   22PA    H26916334  10.251 -13.471   4.302
   22PA   Ch27016335  10.161 -13.623   4.424
   22PA    H27116336  10.161 -13.571   4.520
   22PA    H27216337  10.262 -13.661   4.411
   22PA   Ch27316338  10.081 -13.748   4.391
   22PA    H27416339   9.978 -13.729   4.360
   22PA    H27516340  10.151 -13.790   4.318
   22PA   Ch27616341  10.076 -13.830   4.519
   22PA    H27716342  10.014 -13.786   4.598
   22PA    H27816343  10.181 -13.850   4.539
   22PA   Ca27916344  10.011 -13.967   4.505
   22PA    O28016345   9.908 -13.974   4.439
   22PA    N28116346  10.001 -14.029   4.623
   22PA   Hn28216347  10.078 -14.093   4.632
   22PA   Ch28316348   9.934 -14.001   4.749
   22PA    H28416349   9.864 -13.917   4.750
   22PA    H28516350   9.849 -14.069   4.746
   22PA   Ch28616351  10.033 -14.019   4.863
   22PA    H28716352  10.006 -13.929   4.918
   22PA    H28816353  10.140 -14.006   4.852
   22PA   Ch28916354   9.995 -14.126   4.965
   22PA    H29016355   9.907 -14.073   5.004
   22PA    H29116356   9.971 -14.217   4.911
   22PA   Ch29216357  10.098 -14.148   5.075
   22PA    H29316358  10.127 -14.049   5.110
   22PA    H29416359  10.199 -14.174   5.044
   22PA   Ch29516360  10.062 -14.244   5.188
   22PA    H29616361  10.044 -14.327   5.120
   22PA    H29716362  10.144 -14.288   5.244
   22PA   Ch29816363   9.952 -14.202   5.284
   22PA    H29916364   9.854 -14.177   5.242
   22PA    H30016365   9.991 -14.107   5.323
   22PA    N30116366   9.932 -14.296   5.392
   22PA   Hn30216367   9.888 -14.386   5.383
   22PA   Ca30316368   9.907 -14.275   5.522
   22PA    O30416369   9.982 -14.212   5.595
   22PA   Ch30516370   9.766 -14.294   5.578
   22PA    H30616371   9.753 -14.400   5.553
   22PA    H30716372   9.774 -14.286   5.686
   22PA   Ch30816373   9.649 -14.212   5.526
   22PA    H30916374   9.602 -14.271   5.448
   22PA    H31016375   9.700 -14.122   5.492
   22PA   Ch31116376   9.552 -14.153   5.627
   22PA    H31216377   9.617 -14.109   5.703
   22PA    H31316378   9.473 -14.093   5.580
   22PA   Ch31416379   9.480 -14.271   5.692
   22PA    H31516380   9.551 -14.315   5.762
   22PA    H31616381   9.453 -14.353   5.625
   22PA   Ca31716382   9.349 -14.239   5.764
   22PA    O31816383   9.241 -14.288   5.732
   22PA    N31916384   9.345 -14.138   5.851
   22PA   Hn32016385   9.414 -14.162   5.919
   22PA   Ch32116386   9.294 -14.003   5.834
   22PA    H32216387   9.368 -13.925   5.816
   22PA    H32316388   9.212 -13.993   5.763
   22PA   Ch32416389   9.190 -13.969   5.941
   22PA    H32516390   9.234 -14.005   6.034
   22PA    H32616391   9.093 -14.018   5.938
   22PA   Ch32716392   9.170 -13.823   5.978
   22PA    H32816393   9.082 -13.823   6.043
   22PA    H32916394   9.268 -13.796   6.017
   22PA   Ch33016395   9.124 -13.741   5.858
   22PA    H33116396   9.034 -13.791   5.823
   22PA    H33216397   9.182 -13.726   5.767
   22PA   Ch33316398   9.108 -13.594   5.897
   22PA    H33416399   9.009 -13.587   5.942
   22PA    H33516400   9.149 -13.565   5.994
   22PA   Ch33616401   9.097 -13.490   5.786
   22PA    H33716402   9.190 -13.505   5.730
   22PA    H33816403   9.085 -13.386   5.814
   22PA    N33916404   8.992 -13.522   5.690
   22PA   Hn34016405   8.902 -13.562   5.712
   22PA   Ca34116406   8.962 -13.479   5.568
   22PA    O34216407   9.034 -13.510   5.473
   22PA   Ch34316408   8.829 -13.404   5.560
   22PA    H34416409   8.794 -13.381   5.661
   22PA    H34516410   8.854 -13.310   5.511
   22PA   Ch34616411   8.733 -13.455   5.454
   22PA    H34716412   8.688 -13.554   5.464
   22PA    H34816413   8.773 -13.453   5.352
   22PA   Ch34916414   8.603 -13.379   5.432
   22PA    H35016415   8.627 -13.274   5.450
   22PA    H35116416   8.551 -13.402   5.338
   22PA   Ch35216417   8.484 -13.418   5.518
   22PA    H35316418   8.523 -13.394   5.617
   22PA    H35416419   8.459 -13.521   5.491
   22PA   Ca35516420   8.354 -13.340   5.502
   22PA    O35616421   8.344 -13.253   5.415
   22PA    N35716422   8.265 -13.370   5.596
   22PA   Hn35816423   8.314 -13.374   5.684
   22PA   Ch35916424   8.143 -13.442   5.562
   22PA    H36016425   8.066 -13.370   5.532
   22PA    H36116426   8.139 -13.509   5.476
   22PA   Ch36216427   8.113 -13.544   5.671
   22PA    H36316428   8.154 -13.516   5.768
   22PA    H36416429   8.140 -13.644   5.636
   22PA   Ch36516430   7.965 -13.565   5.697
   22PA    H36616431   7.957 -13.473   5.757
   22PA    H36716432   7.904 -13.557   5.607
   22PA   Ch36816433   7.908 -13.658   5.803
   22PA    H36916434   7.967 -13.627   5.889
   22PA    H37016435   7.942 -13.760   5.783
   22PA   Ch37116436   7.760 -13.636   5.830
   22PA    H37216437   7.718 -13.547   5.877
   22PA    H37316438   7.699 -13.633   5.739
   22PA   Ch37416439   7.697 -13.758   5.896
   22PA    H37516440   7.736 -13.789   5.993
   22PA    H37616441   7.721 -13.855   5.853
   22PA    N37716442   7.557 -13.739   5.926
   22PA   Hn37816443   7.527 -13.643   5.913
   22PA   Ca37916444   7.455 -13.796   5.861
   22PA    O38016445   7.431 -13.914   5.882
   22PA   Ch38116446   7.385 -13.704   5.762
   22PA    H38216447   7.444 -13.615   5.737
   22PA    H38316448   7.393 -13.759   5.669
   22PA   Ch38416449   7.237 -13.680   5.789
   22PA    H38516450   7.224 -13.615   5.702
   22PA    H38616451   7.205 -13.622   5.876
   22PA   Ch38716452   7.145 -13.801   5.782
   22PA    H38816453   7.216 -13.884   5.776
   22PA    H38916454   7.070 -13.795   5.861
   22PA   Ch39016455   7.042 -13.777   5.672
   22PA    H39116456   7.089 -13.751   5.577
   22PA    H39216457   6.967 -13.700   5.691
   22PA   Ca39316458   6.971 -13.896   5.610
   22PA    O39416459   7.035 -13.988   5.560
   22PA    N39516460   6.839 -13.913   5.597
   22PA   Hn39616461   6.797 -13.855   5.526
   22PA   Ch39716462   6.752 -13.974   5.696
   22PA    H39816463   6.675 -14.011   5.628
   22PA    H39916464   6.789 -14.070   5.734
   22PA   Ch40016465   6.693 -13.877   5.797
   22PA    H40116466   6.712 -13.781   5.750
   22PA    H40216467   6.745 -13.875   5.893
   22PA   Ch40316468   6.541 -13.888   5.813
   22PA    H40416469   6.488 -13.792   5.814
   22PA    H40516470   6.499 -13.940   5.727
   22PA   Ch40616471   6.489 -13.966   5.932
   22PA    H40716472   6.410 -13.903   5.974
   22PA    H40816473   6.552 -13.963   6.022
   22PA   Ch40916474   6.442 -14.108   5.906
   22PA    H41016475   6.467 -14.135   6.008
   22PA    H41116476   6.335 -14.105   5.880
   22PA   Ch41216477   6.502 -14.206   5.806
   22PA    H41316478   6.607 -14.208   5.837
   22PA    H41416479   6.476 -14.158   5.711
   22PA    N41516480   6.437 -14.335   5.818
   22PA   Hn41616481   6.413 -14.373   5.908
   22PA   Ca41716482   6.367 -14.408   5.730
   22PA    O41816483   6.427 -14.485   5.655
   22PA   Ch41916484   6.218 -14.380   5.724
   22PA    H42016485   6.176 -14.374   5.825
   22PA    H42116486   6.198 -14.283   5.678
   22PA   Ch42216487   6.138 -14.475   5.637
   22PA    H42316488   6.158 -14.582   5.647
   22PA    H42416489   6.171 -14.435   5.541
   22PA   Ch42516490   5.992 -14.431   5.643
   22PA    H42616491   5.938 -14.436   5.737
   22PA    H42716492   5.980 -14.329   5.605
   22PA   Ch42816493   5.926 -14.517   5.536
   22PA    H42916494   5.974 -14.611   5.507
   22PA    H43016495   5.939 -14.455   5.448
   22PA   Ca43116496   5.778 -14.549   5.545
   22PA    O43216497   5.722 -14.609   5.453
   22PA    N43316498   5.710 -14.547   5.660
   22PA   Hn43416499   5.796 -14.542   5.713
   22PA   Ch43516500   5.614 -14.449   5.707
   22PA    H43616501   5.629 -14.344   5.682
   22PA    H43716502   5.520 -14.459   5.651
   22PA   Ch43816503   5.585 -14.472   5.855
   22PA    H43916504   5.586 -14.579   5.873
   22PA    H44016505   5.481 -14.454   5.881
   22PA   Ch44116506   5.689 -14.429   5.958
   22PA    H44216507   5.629 -14.447   6.048
   22PA    H44316508   5.763 -14.509   5.962
   22PA   Ch44416509   5.726 -14.282   5.957
   22PA    H44516510   5.642 -14.235   6.007
   22PA    H44616511   5.749 -14.243   5.857
   22PA   Ch44716512   5.839 -14.259   6.057
   22PA    H44816513   5.853 -14.155   6.084
   22PA    H44916514   5.786 -14.292   6.146
   22PA   Ch45016515   5.971 -14.325   6.018
   22PA    H45116516   6.034 -14.250   5.969
   22PA    H45216517   5.956 -14.388   5.931
   22PA    N45316518   6.040 -14.381   6.132
   22PA   Hn45416519   5.987 -14.403   6.216
   22PA   Ca45516520   6.161 -14.345   6.176
   22PA    O45616521   6.263 -14.340   6.107
   22PA   Ch45716522   6.174 -14.319   6.325
   22PA    H45816523   6.156 -14.414   6.375
   22PA    H45916524   6.280 -14.300   6.343
   22PA   Ch46016525   6.096 -14.210   6.397
   22PA    H46116526   6.067 -14.260   6.489
   22PA    H46216527   5.999 -14.194   6.350
   22PA   Ch46316528   6.163 -14.073   6.395
   22PA    H46416529   6.271 -14.059   6.401
   22PA    H46516530   6.163 -14.034   6.293
   22PA   Ch46616531   6.092 -13.968   6.479
   22PA    H46716532   6.012 -14.014   6.536
   22PA    H46816533   6.031 -13.906   6.412
   22PA   Ca46916534   6.172 -13.882   6.576
   22PA    O47016535   6.226 -13.935   6.673
   22PA    N47116536   6.134 -13.755   6.570
   22PA   Hn47216537   6.170 -13.734   6.477
   22PA   Ch47316538   6.043 -13.670   6.644
   22PA    H47416539   5.947 -13.721   6.655
   22PA    H47516540   6.056 -13.659   6.751
   22PA   Ch47616541   5.983 -13.549   6.574
   22PA    H47716542   5.940 -13.585   6.480
   22PA    H47816543   6.057 -13.484   6.526
   22PA   Ch47916544   5.863 -13.488   6.644
   22PA    H48016545   5.772 -13.549   6.643
   22PA    H48116546   5.907 -13.474   6.743
   22PA   Ch48216547   5.827 -13.342   6.620
   22PA    H48316548   5.862 -13.307   6.523
   22PA    H48416549   5.890 -13.275   6.679
   22PA   Ch48516550   5.684 -13.296   6.646
   22PA    H48616551   5.620 -13.367   6.593
   22PA    H48716552   5.689 -13.324   6.751
   22PA   Ch48816553   5.654 -13.149   6.625
   22PA    H48916554   5.677 -13.127   6.521
   22PA    H49016555   5.727 -13.110   6.697
   22PA    N49116556   5.515 -13.132   6.664
   22PA   Hn49216557   5.456 -13.206   6.698
   22PA   Ca49316558   5.436 -13.034   6.618
   22PA    O49416559   5.457 -12.919   6.656
   22PA   Ch49516560   5.352 -13.041   6.491
   22PA    H49616561   5.311 -13.142   6.486
   22PA    H49716562   5.255 -12.994   6.503
   22PA   Ch49816563   5.413 -12.976   6.367
   22PA    H49916564   5.464 -12.889   6.410
   22PA    H50016565   5.325 -12.963   6.304
   22PA   Ch50116566   5.508 -13.057   6.281
   22PA    H50216567   5.540 -13.150   6.328
   22PA    H50316568   5.459 -13.107   6.197
   22PA   Ch50416569   5.631 -12.983   6.229
   22PA    H50516570   5.693 -12.968   6.317
   22PA    H50616571   5.606 -12.883   6.195
   22PA   Ca50716572   5.711 -13.066   6.129
   22PA    O50816573   5.783 -13.151   6.179
   22PA    N50916574   5.741 -13.010   6.012
   22PA   Hn51016575   5.663 -13.032   5.951
   22PA   Ch51116576   5.848 -12.934   5.948
   22PA    H51216577   5.933 -12.966   6.008
   22PA    H51316578   5.850 -12.952   5.840
   22PA   Ch51416579   5.832 -12.783   5.954
   22PA    H51516580   5.933 -12.740   5.945
   22PA    H51616581   5.810 -12.736   6.050
   22PA   Ch51716582   5.734 -12.717   5.858
   22PA    H51816583   5.639 -12.741   5.907
   22PA    H51916584   5.718 -12.610   5.876
   22PA   Ch52016585   5.758 -12.719   5.708
   22PA    H52116586   5.849 -12.778   5.697
   22PA    H52216587   5.756 -12.624   5.655
   22PA   Ch52316588   5.660 -12.804   5.629
   22PA    H52416589   5.712 -12.845   5.542
   22PA    H52516590   5.632 -12.881   5.701
   22PA   Ch52616591   5.539 -12.731   5.572
   22PA    H52716592   5.565 -12.635   5.526
   22PA    H52816593   5.471 -12.703   5.652
   22PA    N52916594   5.461 -12.820   5.487
   22PA   Hn53016595   5.499 -12.914   5.484
   22PA   Ca53116596   5.377 -12.796   5.387
   22PA    O53216597   5.310 -12.694   5.401
   22PA   Ch53316598   5.424 -12.833   5.247
   22PA    H53416599   5.425 -12.941   5.254
   22PA    H53516600   5.359 -12.814   5.161
   22PA   Ch53616601   5.554 -12.773   5.194
   22PA    H53716602   5.578 -12.848   5.120
   22PA    H53816603   5.630 -12.782   5.271
   22PA   Ch53916604   5.532 -12.630   5.145
   22PA    H54016605   5.439 -12.607   5.093
   22PA    H54116606   5.517 -12.579   5.240
   22PA   Ch54216607   5.639 -12.562   5.060
   22PA    H54316608   5.616 -12.607   4.964
   22PA    H54416609   5.743 -12.587   5.079
   22PA   Ca54516610   5.644 -12.411   5.036
   22PA    O54616611   5.544 -12.341   5.051
   22PA    N54716612   5.743 -12.374   4.954
   22PA   Hn54816613   5.818 -12.350   5.017
   22PA   Ch54916614   5.749 -12.328   4.816
   22PA    H55016615   5.763 -12.419   4.757
   22PA    H55116616   5.646 -12.298   4.798
   22PA   Ch55216617   5.846 -12.217   4.781
   22PA    H55316618   5.952 -12.241   4.788
   22PA    H55416619   5.834 -12.147   4.864
   22PA   Ch55516620   5.823 -12.154   4.644
   22PA    H55616621   5.785 -12.221   4.566
   22PA    H55716622   5.736 -12.090   4.661
   22PA   Ch55816623   5.943 -12.070   4.601
   22PA    H55916624   6.032 -12.132   4.601
   22PA    H56016625   5.968 -11.992   4.672
   22PA   Ch56116626   5.933 -12.003   4.465
   22PA    H56216627   5.839 -11.949   4.466
   22PA    H56316628   6.006 -11.922   4.457
   22PA   Ch56416629   5.948 -12.099   4.348
   22PA    H56516630   5.849 -12.138   4.324
   22PA    H56616631   6.014 -12.181   4.378
   22PA    N56716632   6.019 -12.039   4.236
   22PA   Hn56816633   6.062 -11.947   4.235
   22PA   Ca56916634   6.005 -12.067   4.107
   22PA    O57016635   5.997 -12.181   4.062
   22PA   Ch57116636   5.971 -11.948   4.017
   22PA    H57216637   5.958 -11.988   3.917
   22PA    H57316638   5.876 -11.906   4.050
   22PA   Ch57416639   6.055 -11.822   4.009
   22PA    H57516640   6.108 -11.809   4.103
   22PA    H57616641   5.995 -11.732   3.994
   22PA   Ch57716642   6.176 -11.829   3.916
   22PA    H57816643   6.257 -11.773   3.962
   22PA    H57916644   6.204 -11.934   3.904
   22PA   Ch58016645   6.148 -11.772   3.777
   22PA    H58116646   6.052 -11.805   3.737
   22PA    H58216647   6.217 -11.834   3.720
   22PA   Ca58316648   6.166 -11.624   3.745
   22PA    O58416649   6.272 -11.562   3.731
   22PA    N58516650   6.058 -11.546   3.748
   22PA   Hn58616651   6.009 -11.571   3.832
   22PA   Ch58716652   5.976 -11.489   3.643
   22PA    H58816653   6.058 -11.438   3.592
   22PA    H58916654   5.928 -11.565   3.582
   22PA   Ch59016655   5.874 -11.394   3.704
   22PA    H59116656   5.845 -11.399   3.809
   22PA    H59216657   5.773 -11.423   3.675
   22PA   Ch59316658   5.888 -11.244   3.685
   22PA    H59416659   5.972 -11.225   3.752
   22PA    H59516660   5.927 -11.226   3.585
   22PA   Ch59616661   5.762 -11.165   3.719
   22PA    H59716662   5.724 -11.211   3.810
   22PA    H59816663   5.678 -11.201   3.659
   22PA   Ch59916664   5.788 -11.016   3.702
   22PA    H60016665   5.828 -10.990   3.800
   22PA    H60116666   5.879 -10.975   3.656
   22PA   Ch60216667   5.669 -10.959   3.626
   22PA    H60316668   5.580 -10.987   3.682
   22PA    H60416669   5.680 -11.019   3.535
   22PA    N60516670   5.691 -10.817   3.608
   22PA   Hn60616671   5.781 -10.772   3.594
   22PA   Ca60716672   5.631 -10.708   3.658
   22PA    O60816673   5.511 -10.688   3.646
   22PA   Ch60916674   5.708 -10.621   3.756
   22PA    H61016675   5.811 -10.653   3.770
   22PA    H61116676   5.727 -10.535   3.693
   22PA   Ch61216677   5.656 -10.591   3.896
   22PA    H61316678   5.738 -10.613   3.965
   22PA    H61416679   5.575 -10.664   3.892
   22PA   Ch61516680   5.569 -10.473   3.938
   22PA    H61616681   5.599 -10.383   3.883
   22PA    H61716682   5.467 -10.497   3.910
   22PA   Ch61816683   5.569 -10.412   4.077
   22PA    H61916684   5.644 -10.336   4.099
   22PA    H62016685   5.602 -10.496   4.138
   22PA   Ca62116686   5.437 -10.353   4.125
   22PA    O62216687   5.416 -10.235   4.098
   22PA    N62316688   5.396 -10.395   4.245
   22PA   Hn62416689   5.362 -10.490   4.250
   22PA   Ch62516690   5.444 -10.359   4.377
   22PA    H62616691   5.534 -10.417   4.395
   22PA    H62716692   5.475 -10.254   4.369
   22PA   Ch62816693   5.338 -10.374   4.486
   22PA    H62916694   5.393 -10.357   4.579
   22PA    H63016695   5.290 -10.472   4.482
   22PA   Ch63116696   5.220 -10.280   4.468
   22PA    H63216697   5.263 -10.182   4.446
   22PA    H63316698   5.189 -10.291   4.364
   22PA   Ch63416699   5.108 -10.293   4.571
   22PA    H63516700   5.156 -10.330   4.662
   22PA    H63616701   5.047 -10.376   4.536
   22PA   Ch63716702   5.028 -10.165   4.588
   22PA    H63816703   5.077 -10.086   4.530
   22PA    H63916704   4.931 -10.186   4.543
   22PA   Ch64016705   5.015 -10.123   4.734
   22PA    H64116706   5.118 -10.123   4.769
   22PA    H64216707   4.964 -10.191   4.802
   22PA    N64316708   4.940  -9.999   4.745
   22PA   Hn64416709   4.954  -9.932   4.671
   22PA   Ca64516710   4.928  -9.936   4.862
   22PA    O64616711   4.824  -9.953   4.925
   22PA   Ch64716712   5.010  -9.808   4.868
   22PA    H64816713   4.999  -9.749   4.777
   22PA    H64916714   4.952  -9.743   4.934
   22PA   Ch65016715   5.158  -9.775   4.883
   22PA    H65116716   5.174  -9.667   4.874
   22PA    H65216717   5.213  -9.806   4.794
   22PA   Ch65316718   5.214  -9.838   5.010
   22PA    H65416719   5.148  -9.820   5.094
   22PA    H65516720   5.190  -9.944   5.003
   22PA   Ch65616721   5.362  -9.827   5.044
   22PA    H65716722   5.373  -9.741   5.110
   22PA    H65816723   5.424  -9.796   4.960
   22PA   Ca65916724   5.427  -9.947   5.112
   22PA    O66016725   5.421 -10.062   5.069
   22PA    N66116726   5.470  -9.937   5.238
   22PA   Hn66216727   5.391  -9.933   5.301
   22PA   Ch66316728   5.608  -9.903   5.269
   22PA    H66416729   5.660  -9.999   5.267
   22PA    H66516730   5.647  -9.834   5.195
   22PA   Ch66616731   5.630  -9.874   5.417
   22PA    H66716732   5.583  -9.960   5.464
   22PA    H66816733   5.580  -9.778   5.419
   22PA   Ch66916734   5.777  -9.843   5.445
   22PA    H67016735   5.830  -9.938   5.438
   22PA    H67116736   5.816  -9.792   5.357
   22PA   Ch67216737   5.802  -9.794   5.587
   22PA    H67316738   5.720  -9.828   5.650
   22PA    H67416739   5.811  -9.689   5.615
   22PA   Ch67516740   5.915  -9.868   5.658
   22PA    H67616741   5.908  -9.973   5.628
   22PA    H67716742   6.003  -9.818   5.616
   22PA   Ch67816743   5.945  -9.830   5.802
   22PA    H67916744   5.870  -9.856   5.876
   22PA    H68016745   5.948  -9.724   5.827
   22PA    N68116746   6.069  -9.891   5.847
   22PA   Hn68216747   6.142  -9.920   5.783
   22PA   Ca68316748   6.073  -9.977   5.949
   22PA    O68416749   6.041  -9.951   6.065
   22PA   Ch68516750   6.050 -10.120   5.902
   22PA    H68616751   5.942 -10.131   5.911
   22PA    H68716752   6.086 -10.140   5.801
   22PA   Ch68816753   6.103 -10.244   5.972
   22PA    H68916754   6.131 -10.225   6.076
   22PA    H69016755   6.207 -10.255   5.942
   22PA   Ch69116756   6.059 -10.385   5.935
   22PA    H69216757   5.955 -10.374   5.966
   22PA    H69316758   6.067 -10.404   5.827
   22PA   Ch69416759   6.114 -10.502   6.015
   22PA    H69516760   6.222 -10.518   6.008
   22PA    H69616761   6.099 -10.604   5.978
   22PA   Ca69716762   6.066 -10.507   6.159
   22PA    O69816763   5.966 -10.575   6.180
   22PA    N69916764   6.161 -10.537   6.249
   22PA   Hn70016765   6.217 -10.615   6.219
   22PA   Ch70116766   6.225 -10.425   6.315
   22PA    H70216767   6.321 -10.409   6.264
   22PA    H70316768   6.187 -10.323   6.308
   22PA   Ch70416769   6.241 -10.486   6.453
   22PA    H70516770   6.318 -10.563   6.449
   22PA    H70616771   6.150 -10.525   6.500
   22PA   Ch70716772   6.292 -10.375   6.544
   22PA    H70816773   6.374 -10.343   6.479
   22PA    H70916774   6.233 -10.284   6.554
   22PA   Ch71016775   6.361 -10.427   6.670
   22PA    H71116776   6.451 -10.370   6.687
   22PA    H71216777   6.406 -10.523   6.643
   22PA   Ch71316778   6.280 -10.427   6.799
   22PA    H71416779   6.258 -10.320   6.797
   22PA    H71516780   6.179 -10.466   6.786
   22PA   Ch71616781   6.345 -10.482   6.925
   22PA    H71716782   6.444 -10.436   6.932
   22PA    H71816783   6.339 -10.588   6.900
   22PA    N71916784   6.258 -10.452   7.037
   22PA   Hn72016785   6.176 -10.395   7.025
   22PA   Ca72116786   6.300 -10.423   7.161
   22PA    O72216787   6.287 -10.519   7.237
   22PA   Ch72316788   6.257 -10.287   7.214
   22PA    H72416789   6.156 -10.319   7.236
   22PA    H72516790   6.302 -10.274   7.313
   22PA   Ch72616791   6.287 -10.160   7.136
   22PA    H72716792   6.194 -10.102   7.134
   22PA    H72816793   6.298 -10.199   7.034
   22PA   Ch72916794   6.407 -10.079   7.181
   22PA    H73016795   6.386 -10.000   7.108
   22PA    H73116796   6.391 -10.045   7.284
   22PA   Ch73216797   6.546 -10.136   7.157
   22PA    H73316798   6.548 -10.172   7.054
   22PA    H73416799   6.571 -10.236   7.195
   22PA   Ca73516800   6.678 -10.064   7.179
   22PA    O73616801   6.757 -10.019   7.096
   22PA    N73716802   6.718 -10.036   7.303
   22PA   Hn73816803   6.646  -9.983   7.351
   22PA   Ch73916804   6.796 -10.101   7.406
   22PA    H74016805   6.744 -10.197   7.412
   22PA    H74116806   6.901 -10.119   7.382
   22PA   Ch74216807   6.824 -10.031   7.539
   22PA    H74316808   6.851  -9.928   7.517
   22PA    H74416809   6.916 -10.061   7.590
   22PA   Ch74516810   6.715 -10.019   7.643
   22PA    H74616811   6.631  -9.979   7.586
   22PA    H74716812   6.673 -10.116   7.668
   22PA   Ch74816813   6.737  -9.947   7.776
   22PA    H74916814   6.748  -9.842   7.746
   22PA    H75016815   6.836  -9.974   7.813
   22PA   Ch75116816   6.626  -9.947   7.880
   22PA    H75216817   6.543  -9.887   7.842
   22PA    H75316818   6.603 -10.052   7.896
   22PA   Ch75416819   6.653  -9.891   8.019
   22PA    H75516820   6.750  -9.927   8.052
   22PA    H75616821   6.579  -9.941   8.084
   22PA    N75716822   6.658  -9.747   8.007
   22PA   Hn75816823   6.746  -9.696   8.010
   22PA   Ca75916824   6.570  -9.664   8.064
   22PA    O76016825   6.461  -9.642   8.012
   22PA   Ch76116826   6.620  -9.607   8.197
   22PA    H76216827   6.724  -9.636   8.214
   22PA    H76316828   6.607  -9.500   8.183
   22PA    H76416829   8.601 -12.479   5.052
   22PA    H76516830   6.538  -9.625   8.267
   23PA     Ch116831   5.069   7.091   6.184
   23PA      H216832   5.106   7.194   6.190
   23PA      H316833   5.133   7.042   6.111
   23PA     Ch416834   4.920   7.107   6.154
   23PA      H516835   4.886   7.201   6.197
   23PA      H616836   4.876   7.029   6.216
   23PA     Ch716837   4.865   7.074   6.015
   23PA      H816838   4.895   7.163   5.959
   23PA      H916839   4.924   6.995   5.968
   23PA    Ch1016840   4.718   7.039   5.999
   23PA     H1116841   4.673   7.133   6.031
   23PA     H1216842   4.674   6.980   6.080
   23PA    Ca1316843   4.690   6.999   5.855
   23PA     O1416844   4.687   6.877   5.836
   23PA     N1516845   4.677   7.090   5.758
   23PA    Hn1616846   4.608   7.161   5.773
   23PA    Ch1716847   4.783   7.136   5.670
   23PA     H1816848   4.847   7.207   5.722
   23PA     H1916849   4.856   7.062   5.639
   23PA    Ch2016850   4.724   7.197   5.543
   23PA     H2116851   4.789   7.281   5.515
   23PA     H2216852   4.634   7.253   5.568
   23PA    Ch2316853   4.710   7.097   5.429
   23PA     H2416854   4.695   6.996   5.467
   23PA     H2516855   4.602   7.104   5.412
   23PA    Ch2616856   4.793   7.141   5.309
   23PA     H2716857   4.894   7.101   5.323
   23PA     H2816858   4.827   7.245   5.311
   23PA    Ch2916859   4.725   7.125   5.174
   23PA     H3016860   4.663   7.038   5.150
   23PA     H3116861   4.645   7.191   5.138
   23PA    Ch3216862   4.826   7.149   5.062
   23PA     H3316863   4.888   7.059   5.056
   23PA     H3416864   4.897   7.221   5.101
   23PA     N3516865   4.799   7.166   4.921
   23PA    Hn3616866   4.698   7.163   4.911
   23PA    Ca3716867   4.849   7.228   4.813
   23PA     O3816868   4.967   7.209   4.788
   23PA    Ch3916869   4.792   7.367   4.785
   23PA     H4016870   4.766   7.397   4.886
   23PA     H4116871   4.868   7.439   4.757
   23PA    Ch4216872   4.670   7.382   4.695
   23PA     H4316873   4.643   7.294   4.636
   23PA     H4416874   4.693   7.475   4.643
   23PA    Ch4516875   4.534   7.403   4.760
   23PA     H4616876   4.518   7.324   4.834
   23PA     H4716877   4.537   7.493   4.821
   23PA    Ch4816878   4.410   7.422   4.674
   23PA     H4916879   4.404   7.315   4.656
   23PA     H5016880   4.427   7.479   4.583
   23PA    Ca5116881   4.288   7.491   4.734
   23PA     O5216882   4.286   7.596   4.798
   23PA     N5316883   4.170   7.441   4.699
   23PA    Hn5416884   4.180   7.342   4.683
   23PA    Ch5516885   4.076   7.500   4.606
   23PA     H5616886   3.974   7.470   4.632
   23PA     H5716887   4.075   7.608   4.592
   23PA    Ch5816888   4.092   7.415   4.481
   23PA     H5916889   4.056   7.313   4.497
   23PA     H6016890   4.198   7.421   4.457
   23PA    Ch6116891   4.005   7.465   4.366
   23PA     H6216892   3.902   7.482   4.398
   23PA     H6316893   4.024   7.572   4.357
   23PA    Ch6416894   3.993   7.379   4.241
   23PA     H6516895   3.970   7.280   4.282
   23PA     H6616896   4.084   7.376   4.181
   23PA    Ch6716897   3.885   7.416   4.141
   23PA     H6816898   3.865   7.521   4.162
   23PA     H6916899   3.924   7.435   4.040
   23PA    Ch7016900   3.758   7.336   4.121
   23PA     H7116901   3.770   7.238   4.167
   23PA     H7216902   3.747   7.318   4.013
   23PA     N7316903   3.635   7.390   4.177
   23PA    Hn7416904   3.638   7.491   4.186
   23PA    Ca7516905   3.513   7.382   4.124
   23PA     O7616906   3.458   7.276   4.153
   23PA    Ch7716907   3.424   7.500   4.089
   23PA     H7816908   3.319   7.470   4.084
   23PA     H7916909   3.446   7.573   4.167
   23PA    Ch8016910   3.459   7.541   3.946
   23PA     H8116911   3.430   7.463   3.876
   23PA     H8216912   3.565   7.557   3.924
   23PA    Ch8316913   3.406   7.678   3.907
   23PA     H8416914   3.327   7.699   3.979
   23PA     H8516915   3.467   7.765   3.934
   23PA    Ch8616916   3.347   7.699   3.769
   23PA     H8716917   3.329   7.607   3.713
   23PA     H8816918   3.418   7.761   3.715
   23PA    Ca8916919   3.213   7.763   3.736
   23PA     O9016920   3.193   7.884   3.748
   23PA     N9116921   3.106   7.685   3.745
   23PA    Hn9216922   3.082   7.623   3.669
   23PA    Ch9316923   3.011   7.655   3.851
   23PA     H9416924   3.065   7.603   3.930
   23PA     H9516925   2.958   7.730   3.909
   23PA    Ch9616926   2.894   7.570   3.806
   23PA     H9716927   2.926   7.477   3.760
   23PA     H9816928   2.858   7.614   3.713
   23PA    Ch9916929   2.766   7.548   3.886
   23PA    H10016930   2.803   7.577   3.984
   23PA    H10116931   2.688   7.619   3.857
   23PA   Ch10216932   2.697   7.413   3.872
   23PA    H10316933   2.756   7.327   3.842
   23PA    H10416934   2.616   7.399   3.800
   23PA   Ch10516935   2.634   7.353   3.997
   23PA    H10616936   2.609   7.247   3.994
   23PA    H10716937   2.721   7.334   4.059
   23PA   Ch10816938   2.546   7.444   4.081
   23PA    H10916939   2.462   7.469   4.016
   23PA    H11016940   2.579   7.548   4.091
   23PA    N11116941   2.528   7.396   4.217
   23PA   Hn11216942   2.529   7.299   4.243
   23PA   Ca11316943   2.453   7.470   4.299
   23PA    O11416944   2.477   7.589   4.322
   23PA   Ch11516945   2.329   7.409   4.364
   23PA    H11616946   2.346   7.405   4.472
   23PA    H11716947   2.247   7.473   4.331
   23PA   Ch11816948   2.269   7.284   4.301
   23PA    H11916949   2.348   7.211   4.289
   23PA    H12016950   2.209   7.295   4.211
   23PA   Ch12116951   2.178   7.221   4.405
   23PA    H12216952   2.238   7.209   4.496
   23PA    H12316953   2.100   7.297   4.400
   23PA   Ch12416954   2.098   7.092   4.395
   23PA    H12516955   2.061   7.074   4.496
   23PA    H12616956   2.163   7.007   4.374
   23PA   Ca12716957   1.987   7.068   4.293
   23PA    O12816958   2.009   6.982   4.209
   23PA    N12916959   1.873   7.137   4.293
   23PA   Hn13016960   1.890   7.235   4.311
   23PA   Ch13116961   1.746   7.104   4.354
   23PA    H13216962   1.732   6.996   4.351
   23PA    H13316963   1.749   7.116   4.463
   23PA   Ch13416964   1.634   7.186   4.292
   23PA    H13516965   1.649   7.195   4.184
   23PA    H13616966   1.657   7.286   4.329
   23PA   Ch13716967   1.498   7.133   4.333
   23PA    H13816968   1.492   7.056   4.255
   23PA    H13916969   1.505   7.081   4.429
   23PA   Ch14016970   1.370   7.214   4.348
   23PA    H14116971   1.357   7.303   4.287
   23PA    H14216972   1.357   7.244   4.453
   23PA   Ch14316973   1.247   7.125   4.349
   23PA    H14416974   1.238   7.102   4.243
   23PA    H14516975   1.253   7.030   4.403
   23PA   Ch14616976   1.125   7.210   4.384
   23PA    H14716977   1.119   7.272   4.294
   23PA    H14816978   1.137   7.247   4.486
   23PA    N14916979   1.013   7.118   4.389
   23PA   Hn15016980   1.023   7.018   4.378
   23PA   Ca15116981   0.882   7.144   4.389
   23PA    O15216982   0.825   7.198   4.483
   23PA   Ch15316983   0.805   7.127   4.258
   23PA    H15416984   0.721   7.195   4.247
   23PA    H15516985   0.873   7.144   4.175
   23PA   Ch15616986   0.754   6.985   4.242
   23PA    H15716987   0.716   6.936   4.332
   23PA    H15816988   0.842   6.930   4.208
   23PA   Ch15916989   0.635   6.996   4.148
   23PA    H16016990   0.654   7.034   4.048
   23PA    H16116991   0.621   6.892   4.117
   23PA   Ch16216992   0.498   7.024   4.208
   23PA    H16316993   0.536   7.082   4.292
   23PA    H16416994   0.473   6.932   4.260
   23PA   Ca16516995   0.384   7.091   4.131
   23PA    O16616996   0.384   7.212   4.150
   23PA    N16716997   0.324   7.037   4.025
   23PA   Hn16816998   0.286   6.948   4.056
   23PA   Ch16916999   0.329   7.048   3.881
   23PA    H17017000   0.390   7.129   3.839
   23PA    H17117001   0.380   6.963   3.835
   23PA   Ch17217002   0.187   7.037   3.829
   23PA    H17317003   0.131   7.121   3.870
   23PA    H17417004   0.158   6.936   3.861
   23PA   Ch17517005   0.189   7.041   3.677
   23PA    H17617006   0.220   7.137   3.636
   23PA    H17717007   0.260   6.967   3.639
   23PA   Ch17817008   0.054   7.038   3.608
   23PA    H17917009  -0.016   7.102   3.664
   23PA    H18017010   0.035   6.931   3.617
   23PA   Ch18117011   0.053   7.072   3.460
   23PA    H18217012  -0.047   7.032   3.446
   23PA    H18317013   0.041   7.175   3.427
   23PA   Ch18417014   0.153   7.009   3.363
   23PA    H18517015   0.103   7.022   3.267
   23PA    H18617016   0.213   6.920   3.382
   23PA    N18717017   0.255   7.110   3.342
   23PA   Hn18817018   0.236   7.197   3.390
   23PA   Ca18917019   0.342   7.128   3.242
   23PA    O19017020   0.400   7.028   3.200
   23PA   Ch19117021   0.346   7.253   3.156
   23PA    H19217022   0.265   7.263   3.083
   23PA    H19317023   0.357   7.326   3.236
   23PA   Ch19417024   0.454   7.286   3.053
   23PA    H19517025   0.462   7.199   2.989
   23PA    H19617026   0.550   7.255   3.093
   23PA   Ch19717027   0.481   7.431   3.013
   23PA    H19817028   0.432   7.495   3.087
   23PA    H19917029   0.590   7.434   3.022
   23PA   Ch20017030   0.426   7.452   2.873
   23PA    H20117031   0.335   7.392   2.865
   23PA    H20217032   0.497   7.403   2.806
   23PA   Ca20317033   0.397   7.591   2.820
   23PA    O20417034   0.308   7.649   2.882
   23PA    N20517035   0.443   7.622   2.698
   23PA   Hn20617036   0.544   7.613   2.703
   23PA   Ch20717037   0.380   7.638   2.568
   23PA    H20817038   0.345   7.545   2.524
   23PA    H20917039   0.298   7.708   2.582
   23PA   Ch21017040   0.476   7.708   2.472
   23PA    H21117041   0.572   7.657   2.467
   23PA    H21217042   0.499   7.803   2.520
   23PA   Ch21317043   0.434   7.702   2.326
   23PA    H21417044   0.523   7.719   2.264
   23PA    H21517045   0.416   7.599   2.296
   23PA   Ch21617046   0.315   7.779   2.272
   23PA    H21717047   0.231   7.771   2.342
   23PA    H21817048   0.300   7.738   2.173
   23PA   Ch21917049   0.350   7.924   2.240
   23PA    H22017050   0.422   7.955   2.317
   23PA    H22117051   0.381   7.927   2.136
   23PA   Ch22217052   0.232   8.019   2.231
   23PA    H22317053   0.150   8.017   2.303
   23PA    H22417054   0.187   8.017   2.132
   23PA    N22517055   0.298   8.145   2.257
   23PA   Hn22617056   0.395   8.170   2.243
   23PA   Ca22717057   0.253   8.264   2.299
   23PA    O22817058   0.226   8.338   2.204
   23PA   Ch22917059   0.260   8.310   2.444
   23PA    H23017060   0.269   8.224   2.509
   23PA    H23117061   0.348   8.374   2.430
   23PA   Ch23217062   0.147   8.398   2.495
   23PA    H23317063   0.063   8.414   2.427
   23PA    H23417064   0.202   8.491   2.507
   23PA   Ch23517065   0.077   8.381   2.629
   23PA    H23617066   0.061   8.273   2.630
   23PA    H23717067   0.144   8.403   2.713
   23PA   Ch23817068  -0.048   8.460   2.665
   23PA    H23917069  -0.088   8.528   2.590
   23PA    H24017070  -0.023   8.529   2.746
   23PA   Ca24117071  -0.166   8.390   2.730
   23PA    O24217072  -0.266   8.376   2.660
   23PA    N24317073  -0.135   8.316   2.837
   23PA   Hn24417074  -0.056   8.264   2.800
   23PA   Ch24517075  -0.176   8.346   2.972
   23PA    H24617076  -0.092   8.371   3.037
   23PA    H24717077  -0.236   8.437   2.970
   23PA   Ch24817078  -0.256   8.226   3.022
   23PA    H24917079  -0.182   8.153   3.056
   23PA    H25017080  -0.317   8.207   2.934
   23PA   Ch25117081  -0.365   8.238   3.128
   23PA    H25217082  -0.317   8.195   3.215
   23PA    H25317083  -0.408   8.337   3.142
   23PA   Ch25417084  -0.484   8.143   3.126
   23PA    H25517085  -0.444   8.045   3.154
   23PA    H25617086  -0.551   8.145   3.040
   23PA   Ch25717087  -0.585   8.143   3.239
   23PA    H25817088  -0.678   8.088   3.219
   23PA    H25917089  -0.517   8.092   3.308
   23PA   Ch26017090  -0.631   8.277   3.295
   23PA    H26117091  -0.703   8.309   3.220
   23PA    H26217092  -0.564   8.357   3.326
   23PA    N26317093  -0.698   8.242   3.419
   23PA   Hn26417094  -0.758   8.161   3.421
   23PA   Ca26517095  -0.775   8.326   3.488
   23PA    O26617096  -0.736   8.396   3.581
   23PA   Ch26717097  -0.924   8.307   3.464
   23PA    H26817098  -0.955   8.409   3.490
   23PA    H26917099  -0.938   8.274   3.361
   23PA   Ch27017100  -0.986   8.212   3.565
   23PA    H27117101  -1.030   8.265   3.649
   23PA    H27217102  -0.917   8.133   3.596
   23PA   Ch27317103  -1.097   8.139   3.490
   23PA    H27417104  -1.119   8.172   3.389
   23PA    H27517105  -1.051   8.049   3.449
   23PA   Ch27617106  -1.218   8.120   3.580
   23PA    H27717107  -1.268   8.205   3.626
   23PA    H27817108  -1.177   8.056   3.659
   23PA   Ca27917109  -1.334   8.042   3.521
   23PA    O28017110  -1.339   7.921   3.535
   23PA    N28117111  -1.421   8.114   3.449
   23PA   Hn28217112  -1.502   8.142   3.503
   23PA   Ch28317113  -1.422   8.127   3.305
   23PA    H28417114  -1.328   8.097   3.258
   23PA    H28517115  -1.498   8.067   3.256
   23PA   Ch28617116  -1.433   8.273   3.261
   23PA    H28717117  -1.360   8.336   3.313
   23PA    H28817118  -1.522   8.318   3.304
   23PA   Ch28917119  -1.426   8.297   3.111
   23PA    H29017120  -1.325   8.261   3.090
   23PA    H29117121  -1.488   8.220   3.067
   23PA   Ch29217122  -1.451   8.434   3.050
   23PA    H29317123  -1.396   8.511   3.105
   23PA    H29417124  -1.557   8.449   3.069
   23PA   Ch29517125  -1.427   8.423   2.900
   23PA    H29617126  -1.350   8.346   2.889
   23PA    H29717127  -1.518   8.401   2.843
   23PA   Ch29817128  -1.363   8.549   2.845
   23PA    H29917129  -1.264   8.510   2.821
   23PA    H30017130  -1.345   8.638   2.905
   23PA    N30117131  -1.435   8.598   2.729
   23PA   Hn30217132  -1.435   8.529   2.656
   23PA   Ca30317133  -1.529   8.688   2.700
   23PA    O30417134  -1.627   8.700   2.774
   23PA   Ch30517135  -1.499   8.807   2.610
   23PA    H30617136  -1.417   8.776   2.545
   23PA    H30717137  -1.580   8.822   2.539
   23PA   Ch30817138  -1.442   8.934   2.672
   23PA    H30917139  -1.341   8.910   2.706
   23PA    H31017140  -1.503   8.979   2.750
   23PA   Ch31117141  -1.434   9.055   2.580
   23PA    H31217142  -1.367   9.022   2.501
   23PA    H31317143  -1.521   9.097   2.528
   23PA   Ch31417144  -1.348   9.171   2.628
   23PA    H31517145  -1.340   9.238   2.542
   23PA    H31617146  -1.255   9.121   2.654
   23PA   Ca31717147  -1.407   9.275   2.723
   23PA    O31817148  -1.342   9.313   2.819
   23PA    N31917149  -1.514   9.345   2.682
   23PA   Hn32017150  -1.580   9.271   2.668
   23PA   Ch32117151  -1.533   9.477   2.625
   23PA    H32217152  -1.494   9.559   2.686
   23PA    H32317153  -1.475   9.496   2.535
   23PA   Ch32417154  -1.678   9.519   2.608
   23PA    H32517155  -1.734   9.496   2.699
   23PA    H32617156  -1.705   9.462   2.519
   23PA   Ch32717157  -1.724   9.662   2.584
   23PA    H32817158  -1.735   9.722   2.676
   23PA    H32917159  -1.644   9.706   2.525
   23PA   Ch33017160  -1.857   9.679   2.514
   23PA    H33117161  -1.935   9.689   2.590
   23PA    H33217162  -1.906   9.595   2.463
   23PA   Ch33317163  -1.866   9.802   2.424
   23PA    H33417164  -1.969   9.825   2.397
   23PA    H33517165  -1.847   9.893   2.482
   23PA   Ch33617166  -1.804   9.797   2.286
   23PA    H33717167  -1.821   9.703   2.234
   23PA    H33817168  -1.698   9.807   2.312
   23PA    N33917169  -1.831   9.903   2.191
   23PA   Hn34017170  -1.909   9.967   2.197
   23PA   Ca34117171  -1.751   9.956   2.097
   23PA    O34217172  -1.701   9.885   2.010
   23PA   Ch34317173  -1.665  10.061   2.164
   23PA    H34417174  -1.725  10.140   2.210
   23PA    H34517175  -1.642  10.026   2.265
   23PA   Ch34617176  -1.528  10.086   2.101
   23PA    H34717177  -1.532  10.065   1.994
   23PA    H34817178  -1.455  10.023   2.152
   23PA   Ch34917179  -1.477  10.229   2.111
   23PA    H35017180  -1.378  10.242   2.066
   23PA    H35117181  -1.545  10.298   2.059
   23PA   Ch35217182  -1.458  10.288   2.250
   23PA    H35317183  -1.540  10.285   2.321
   23PA    H35417184  -1.455  10.396   2.237
   23PA   Ca35517185  -1.337  10.258   2.337
   23PA    O35617186  -1.327  10.148   2.389
   23PA    N35717187  -1.243  10.354   2.334
   23PA   Hn35817188  -1.301  10.436   2.339
   23PA   Ch35917189  -1.110  10.380   2.283
   23PA    H36017190  -1.096  10.295   2.216
   23PA    H36117191  -1.129  10.464   2.217
   23PA   Ch36217192  -1.017  10.403   2.401
   23PA    H36317193  -1.045  10.368   2.501
   23PA    H36417194  -1.012  10.512   2.406
   23PA   Ch36517195  -0.876  10.349   2.382
   23PA    H36617196  -0.881  10.247   2.344
   23PA    H36717197  -0.812  10.405   2.313
   23PA   Ch36817198  -0.775  10.374   2.494
   23PA    H36917199  -0.816  10.326   2.583
   23PA    H37017200  -0.752  10.480   2.507
   23PA   Ch37117201  -0.639  10.314   2.463
   23PA    H37217202  -0.654  10.208   2.437
   23PA    H37317203  -0.582  10.348   2.376
   23PA   Ch37417204  -0.534  10.308   2.573
   23PA    H37517205  -0.584  10.308   2.671
   23PA    H37617206  -0.457  10.384   2.585
   23PA    N37717207  -0.456  10.186   2.570
   23PA   Hn37817208  -0.445  10.149   2.476
   23PA   Ca37917209  -0.345  10.160   2.639
   23PA    O38017210  -0.367  10.115   2.751
   23PA   Ch38117211  -0.213  10.138   2.566
   23PA    H38217212  -0.166  10.233   2.542
   23PA    H38317213  -0.148  10.101   2.646
   23PA   Ch38417214  -0.227  10.036   2.454
   23PA    H38517215  -0.211  10.099   2.367
   23PA    H38617216  -0.330  10.004   2.439
   23PA   Ch38717217  -0.116   9.932   2.459
   23PA    H38817218  -0.044   9.934   2.377
   23PA    H38917219  -0.048   9.942   2.543
   23PA   Ch39017220  -0.149   9.784   2.444
   23PA    H39117221  -0.217   9.752   2.524
   23PA    H39217222  -0.057   9.727   2.451
   23PA   Ca39317223  -0.205   9.722   2.317
   23PA    O39417224  -0.241   9.790   2.222
   23PA    N39517225  -0.231   9.591   2.314
   23PA   Hn39617226  -0.144   9.544   2.336
   23PA   Ch39717227  -0.358   9.530   2.344
   23PA    H39817228  -0.428   9.560   2.267
   23PA    H39917229  -0.413   9.552   2.437
   23PA   Ch40017230  -0.346   9.380   2.320
   23PA    H40117231  -0.290   9.346   2.408
   23PA    H40217232  -0.283   9.348   2.237
   23PA   Ch40317233  -0.484   9.328   2.285
   23PA    H40417234  -0.545   9.359   2.370
   23PA    H40517235  -0.517   9.384   2.198
   23PA   Ch40617236  -0.474   9.178   2.258
   23PA    H40717237  -0.464   9.135   2.358
   23PA    H40817238  -0.378   9.148   2.217
   23PA   Ch40917239  -0.587   9.114   2.178
   23PA    H41017240  -0.669   9.163   2.231
   23PA    H41117241  -0.577   9.146   2.075
   23PA   Ch41217242  -0.609   8.963   2.177
   23PA    H41317243  -0.656   8.939   2.273
   23PA    H41417244  -0.507   8.924   2.178
   23PA    N41517245  -0.703   8.925   2.073
   23PA   Hn41617246  -0.796   8.963   2.065
   23PA   Ca41717247  -0.733   8.798   2.048
   23PA    O41817248  -0.663   8.744   1.963
   23PA   Ch41917249  -0.866   8.735   2.088
   23PA    H42017250  -0.950   8.792   2.049
   23PA    H42117251  -0.880   8.659   2.010
   23PA   Ch42217252  -0.891   8.669   2.223
   23PA    H42317253  -0.859   8.745   2.294
   23PA    H42417254  -0.802   8.606   2.226
   23PA   Ch42517255  -1.018   8.594   2.261
   23PA    H42617256  -1.083   8.677   2.286
   23PA    H42717257  -1.070   8.559   2.172
   23PA   Ch42817258  -1.023   8.506   2.386
   23PA    H42917259  -0.930   8.503   2.441
   23PA    H43017260  -1.018   8.400   2.360
   23PA   Ca43117261  -1.128   8.542   2.490
   23PA    O43217262  -1.104   8.623   2.579
   23PA    N43317263  -1.219   8.445   2.481
   23PA   Hn43417264  -1.234   8.434   2.381
   23PA   Ch43517265  -1.237   8.335   2.574
   23PA    H43617266  -1.180   8.365   2.663
   23PA    H43717267  -1.345   8.345   2.588
   23PA   Ch43817268  -1.185   8.205   2.513
   23PA    H43917269  -1.136   8.159   2.598
   23PA    H44017270  -1.103   8.207   2.441
   23PA   Ch44117271  -1.290   8.108   2.461
   23PA    H44217272  -1.358   8.094   2.546
   23PA    H44317273  -1.362   8.156   2.394
   23PA   Ch44417274  -1.250   7.966   2.424
   23PA    H44517275  -1.334   7.900   2.450
   23PA    H44617276  -1.177   7.933   2.498
   23PA   Ch44717277  -1.185   7.937   2.290
   23PA    H44817278  -1.146   8.037   2.271
   23PA    H44917279  -1.096   7.874   2.298
   23PA   Ch45017280  -1.286   7.893   2.185
   23PA    H45117281  -1.354   7.978   2.171
   23PA    H45217282  -1.349   7.816   2.229
   23PA    N45317283  -1.223   7.847   2.063
   23PA   Hn45417284  -1.153   7.773   2.069
   23PA   Ca45517285  -1.281   7.842   1.944
   23PA    O45617286  -1.308   7.949   1.889
   23PA   Ch45717287  -1.324   7.706   1.890
   23PA    H45817288  -1.223   7.694   1.850
   23PA    H45917289  -1.347   7.639   1.973
   23PA   Ch46017290  -1.433   7.679   1.787
   23PA    H46117291  -1.458   7.765   1.726
   23PA    H46217292  -1.528   7.645   1.826
   23PA   Ch46317293  -1.394   7.560   1.700
   23PA    H46417294  -1.290   7.577   1.673
   23PA    H46517295  -1.392   7.471   1.762
   23PA   Ch46617296  -1.479   7.566   1.573
   23PA    H46717297  -1.579   7.537   1.608
   23PA    H46817298  -1.443   7.480   1.516
   23PA   Ca46917299  -1.496   7.680   1.474
   23PA    O47017300  -1.404   7.758   1.453
   23PA    N47117301  -1.572   7.638   1.373
   23PA   Hn47217302  -1.668   7.644   1.403
   23PA   Ch47317303  -1.546   7.567   1.249
   23PA    H47417304  -1.459   7.504   1.228
   23PA    H47517305  -1.610   7.483   1.275
   23PA   Ch47617306  -1.612   7.648   1.138
   23PA    H47717307  -1.527   7.685   1.079
   23PA    H47817308  -1.649   7.743   1.176
   23PA   Ch47917309  -1.706   7.574   1.044
   23PA    H48017310  -1.662   7.493   0.985
   23PA    H48117311  -1.777   7.541   1.119
   23PA   Ch48217312  -1.799   7.655   0.956
   23PA    H48317313  -1.768   7.688   0.856
   23PA    H48417314  -1.824   7.740   1.020
   23PA   Ch48517315  -1.928   7.578   0.931
   23PA    H48617316  -1.893   7.507   0.856
   23PA    H48717317  -1.981   7.525   1.010
   23PA   Ch48817318  -2.036   7.678   0.889
   23PA    H48917319  -2.008   7.691   0.784
   23PA    H49017320  -2.047   7.775   0.938
   23PA    N49117321  -2.167   7.618   0.892
   23PA   Hn49217322  -2.195   7.524   0.866
   23PA   Ca49317323  -2.288   7.675   0.883
   23PA    O49417324  -2.314   7.770   0.955
   23PA   Ch49517325  -2.355   7.687   0.747
   23PA    H49617326  -2.305   7.780   0.720
   23PA    H49717327  -2.327   7.596   0.693
   23PA   Ch49817328  -2.502   7.672   0.713
   23PA    H49917329  -2.540   7.585   0.768
   23PA    H50017330  -2.505   7.664   0.604
   23PA   Ch50117331  -2.582   7.793   0.759
   23PA    H50217332  -2.570   7.833   0.860
   23PA    H50317333  -2.550   7.874   0.693
   23PA   Ch50417334  -2.725   7.770   0.711
   23PA    H50517335  -2.783   7.684   0.745
   23PA    H50617336  -2.712   7.754   0.604
   23PA   Ca50717337  -2.832   7.879   0.715
   23PA    O50817338  -2.946   7.851   0.680
   23PA    N50917339  -2.782   8.000   0.690
   23PA   Hn51017340  -2.718   7.994   0.612
   23PA   Ch51117341  -2.744   8.084   0.802
   23PA    H51217342  -2.817   8.079   0.883
   23PA    H51317343  -2.649   8.054   0.845
   23PA   Ch51417344  -2.746   8.229   0.757
   23PA    H51517345  -2.846   8.271   0.748
   23PA    H51617346  -2.712   8.227   0.654
   23PA   Ch51717347  -2.646   8.331   0.811
   23PA    H51817348  -2.698   8.412   0.862
   23PA    H51917349  -2.575   8.287   0.881
   23PA   Ch52017350  -2.573   8.419   0.710
   23PA    H52117351  -2.626   8.446   0.618
   23PA    H52217352  -2.508   8.344   0.664
   23PA   Ch52317353  -2.495   8.526   0.784
   23PA    H52417354  -2.414   8.488   0.846
   23PA    H52517355  -2.443   8.577   0.703
   23PA   Ch52617356  -2.555   8.650   0.850
   23PA    H52717357  -2.567   8.623   0.955
   23PA    H52817358  -2.650   8.683   0.807
   23PA    N52917359  -2.460   8.757   0.870
   23PA   Hn53017360  -2.461   8.817   0.788
   23PA   Ca53117361  -2.430   8.824   0.982
   23PA    O53217362  -2.401   8.761   1.084
   23PA   Ch53317363  -2.499   8.957   1.007
   23PA    H53417364  -2.443   9.029   1.066
   23PA    H53517365  -2.503   8.997   0.906
   23PA   Ch53617366  -2.646   8.947   1.045
   23PA    H53717367  -2.662   8.991   1.144
   23PA    H53817368  -2.686   8.846   1.042
   23PA   Ch53917369  -2.744   9.040   0.976
   23PA    H54017370  -2.736   9.139   1.022
   23PA    H54117371  -2.725   9.059   0.870
   23PA   Ch54217372  -2.885   8.987   0.949
   23PA    H54317373  -2.925   8.924   1.028
   23PA    H54417374  -2.893   8.930   0.856
   23PA   Ca54517375  -3.003   9.082   0.939
   23PA    O54617376  -3.109   9.042   0.984
   23PA    N54717377  -2.993   9.185   0.854
   23PA   Hn54817378  -2.906   9.237   0.851
   23PA   Ch54917379  -3.073   9.208   0.736
   23PA    H55017380  -3.018   9.169   0.650
   23PA    H55117381  -3.164   9.147   0.746
   23PA   Ch55217382  -3.095   9.353   0.695
   23PA    H55317383  -3.097   9.343   0.587
   23PA    H55417384  -3.010   9.420   0.707
   23PA   Ch55517385  -3.231   9.394   0.750
   23PA    H55617386  -3.310   9.318   0.748
   23PA    H55717387  -3.218   9.390   0.859
   23PA   Ch55817388  -3.269   9.539   0.727
   23PA    H55917389  -3.250   9.549   0.620
   23PA    H56017390  -3.228   9.613   0.797
   23PA   Ch56117391  -3.417   9.561   0.753
   23PA    H56217392  -3.481   9.496   0.693
   23PA    H56317393  -3.434   9.550   0.860
   23PA   Ch56417394  -3.473   9.695   0.707
   23PA    H56517395  -3.543   9.676   0.625
   23PA    H56617396  -3.386   9.757   0.689
   23PA    N56717397  -3.560   9.755   0.806
   23PA   Hn56817398  -3.585   9.718   0.897
   23PA   Ca56917399  -3.591   9.883   0.824
   23PA    O57017400  -3.679   9.936   0.756
   23PA   Ch57117401  -3.509   9.955   0.930
   23PA    H57217402  -3.406   9.919   0.926
   23PA    H57317403  -3.481  10.058   0.906
   23PA   Ch57417404  -3.546   9.930   1.076
   23PA    H57517405  -3.654   9.911   1.076
   23PA    H57617406  -3.549  10.023   1.133
   23PA   Ch57717407  -3.484   9.813   1.151
   23PA    H57817408  -3.471   9.726   1.086
   23PA    H57917409  -3.384   9.853   1.167
   23PA   Ch58017410  -3.550   9.753   1.275
   23PA    H58117411  -3.639   9.721   1.220
   23PA    H58217412  -3.573   9.826   1.352
   23PA   Ca58317413  -3.488   9.630   1.339
   23PA    O58417414  -3.411   9.550   1.286
   23PA    N58517415  -3.583   9.594   1.426
   23PA   Hn58617416  -3.617   9.670   1.483
   23PA   Ch58717417  -3.653   9.468   1.442
   23PA    H58817418  -3.747   9.479   1.387
   23PA    H58917419  -3.603   9.386   1.390
   23PA   Ch59017420  -3.700   9.425   1.580
   23PA    H59117421  -3.806   9.449   1.587
   23PA    H59217422  -3.636   9.472   1.656
   23PA   Ch59317423  -3.698   9.274   1.594
   23PA    H59417424  -3.772   9.251   1.671
   23PA    H59517425  -3.739   9.217   1.510
   23PA   Ch59617426  -3.554   9.237   1.625
   23PA    H59717427  -3.530   9.284   1.721
   23PA    H59817428  -3.482   9.293   1.565
   23PA   Ch59917429  -3.519   9.089   1.615
   23PA    H60017430  -3.588   9.044   1.543
   23PA    H60117431  -3.422   9.085   1.565
   23PA   Ch60217432  -3.526   9.007   1.743
   23PA    H60317433  -3.627   8.976   1.772
   23PA    H60417434  -3.498   9.084   1.814
   23PA    N60517435  -3.434   8.896   1.750
   23PA   Hn60617436  -3.337   8.924   1.746
   23PA   Ca60717437  -3.450   8.771   1.707
   23PA    O60817438  -3.537   8.703   1.762
   23PA   Ch60917439  -3.389   8.730   1.573
   23PA    H61017440  -3.304   8.790   1.541
   23PA    H61117441  -3.384   8.621   1.581
   23PA   Ch61217442  -3.480   8.765   1.457
   23PA    H61317443  -3.452   8.865   1.422
   23PA    H61417444  -3.586   8.763   1.484
   23PA   Ch61517445  -3.461   8.672   1.338
   23PA    H61617446  -3.406   8.727   1.260
   23PA    H61717447  -3.386   8.594   1.357
   23PA   Ch61817448  -3.585   8.619   1.268
   23PA    H61917449  -3.609   8.684   1.184
   23PA    H62017450  -3.681   8.608   1.320
   23PA   Ca62117451  -3.592   8.483   1.199
   23PA    O62217452  -3.685   8.406   1.221
   23PA    N62317453  -3.515   8.476   1.091
   23PA   Hn62417454  -3.538   8.565   1.049
   23PA   Ch62517455  -3.385   8.414   1.077
   23PA    H62617456  -3.318   8.489   1.036
   23PA    H62717457  -3.333   8.412   1.172
   23PA   Ch62817458  -3.405   8.288   0.993
   23PA    H62917459  -3.503   8.280   0.946
   23PA    H63017460  -3.405   8.197   1.052
   23PA   Ch63117461  -3.296   8.262   0.890
   23PA    H63217462  -3.266   8.339   0.818
   23PA    H63317463  -3.206   8.263   0.951
   23PA   Ch63417464  -3.309   8.153   0.784
   23PA    H63517465  -3.372   8.189   0.702
   23PA    H63617466  -3.378   8.069   0.786
   23PA   Ch63717467  -3.183   8.120   0.705
   23PA    H63817468  -3.094   8.131   0.767
   23PA    H63917469  -3.194   8.022   0.660
   23PA   Ch64017470  -3.129   8.213   0.597
   23PA    H64117471  -3.107   8.314   0.632
   23PA    H64217472  -3.202   8.230   0.518
   23PA    N64317473  -3.015   8.164   0.524
   23PA   Hn64417474  -2.933   8.154   0.582
   23PA   Ca64517475  -2.971   8.170   0.398
   23PA    O64617476  -3.036   8.106   0.317
   23PA   Ch64717477  -2.876   8.282   0.356
   23PA    H64817478  -2.914   8.304   0.256
   23PA    H64917479  -2.891   8.375   0.410
   23PA   Ch65017480  -2.727   8.250   0.349
   23PA    H65117481  -2.701   8.146   0.326
   23PA    H65217482  -2.696   8.244   0.453
   23PA   Ch65317483  -2.649   8.336   0.251
   23PA    H65417484  -2.583   8.278   0.187
   23PA    H65517485  -2.729   8.388   0.197
   23PA   Ch65617486  -2.576   8.462   0.296
   23PA    H65717487  -2.622   8.504   0.385
   23PA    H65817488  -2.607   8.538   0.225
   23PA   Ca65917489  -2.424   8.473   0.307
   23PA    O66017490  -2.366   8.569   0.257
   23PA    N66117491  -2.351   8.375   0.359
   23PA   Hn66217492  -2.399   8.288   0.345
   23PA   Ch66317493  -2.287   8.370   0.490
   23PA    H66417494  -2.190   8.418   0.499
   23PA    H66517495  -2.338   8.446   0.550
   23PA   Ch66617496  -2.304   8.234   0.557
   23PA    H66717497  -2.253   8.155   0.504
   23PA    H66817498  -2.402   8.196   0.529
   23PA   Ch66917499  -2.268   8.230   0.705
   23PA    H67017500  -2.160   8.220   0.696
   23PA    H67117501  -2.289   8.333   0.731
   23PA   Ch67217502  -2.342   8.129   0.792
   23PA    H67317503  -2.295   8.033   0.772
   23PA    H67417504  -2.445   8.153   0.766
   23PA   Ch67517505  -2.325   8.158   0.941
   23PA    H67617506  -2.220   8.151   0.970
   23PA    H67717507  -2.313   8.266   0.947
   23PA   Ch67817508  -2.431   8.116   1.042
   23PA    H67917509  -2.520   8.085   0.987
   23PA    H68017510  -2.477   8.184   1.113
   23PA    N68117511  -2.399   7.998   1.120
   23PA   Hn68217512  -2.320   7.942   1.090
   23PA   Ca68317513  -2.464   7.922   1.209
   23PA    O68417514  -2.422   7.920   1.324
   23PA   Ch68517515  -2.518   7.787   1.163
   23PA    H68617516  -2.566   7.785   1.065
   23PA    H68717517  -2.447   7.705   1.169
   23PA   Ch68817518  -2.628   7.712   1.237
   23PA    H68917519  -2.720   7.768   1.219
   23PA    H69017520  -2.609   7.737   1.342
   23PA   Ch69117521  -2.670   7.580   1.174
   23PA    H69217522  -2.714   7.598   1.076
   23PA    H69317523  -2.598   7.501   1.150
   23PA   Ch69417524  -2.768   7.511   1.266
   23PA    H69517525  -2.730   7.524   1.368
   23PA    H69617526  -2.747   7.405   1.277
   23PA   Ca69717527  -2.919   7.533   1.254
   23PA    O69817528  -2.997   7.484   1.335
   23PA    N69917529  -2.974   7.597   1.150
   23PA   Hn70017530  -2.908   7.567   1.080
   23PA   Ch70117531  -3.034   7.728   1.141
   23PA    H70217532  -3.130   7.738   1.192
   23PA    H70317533  -2.955   7.796   1.172
   23PA   Ch70417534  -3.041   7.778   0.997
   23PA    H70517535  -3.036   7.699   0.922
   23PA    H70617536  -2.944   7.818   0.968
   23PA   Ch70717537  -3.163   7.867   0.978
   23PA    H70817538  -3.163   7.939   1.059
   23PA    H70917539  -3.168   7.919   0.882
   23PA   Ch71017540  -3.295   7.795   0.953
   23PA    H71117541  -3.378   7.863   0.974
   23PA    H71217542  -3.296   7.713   1.025
   23PA   Ch71317543  -3.326   7.729   0.819
   23PA    H71417544  -3.335   7.814   0.751
   23PA    H71517545  -3.245   7.668   0.779
   23PA   Ch71617546  -3.454   7.648   0.832
   23PA    H71717547  -3.534   7.690   0.892
   23PA    H71817548  -3.429   7.559   0.891
   23PA    N71917549  -3.480   7.600   0.698
   23PA   Hn72017550  -3.541   7.661   0.646
   23PA   Ca72117551  -3.471   7.473   0.656
   23PA    O72217552  -3.386   7.433   0.577
   23PA   Ch72317553  -3.583   7.374   0.686
   23PA    H72417554  -3.671   7.410   0.633
   23PA    H72517555  -3.566   7.285   0.624
   23PA   Ch72617556  -3.625   7.336   0.827
   23PA    H72717557  -3.634   7.441   0.854
   23PA    H72817558  -3.533   7.293   0.867
   23PA   Ch72917559  -3.752   7.268   0.878
   23PA    H73017560  -3.703   7.205   0.952
   23PA    H73117561  -3.827   7.333   0.924
   23PA   Ch73217562  -3.815   7.174   0.776
   23PA    H73317563  -3.743   7.093   0.773
   23PA    H73417564  -3.822   7.214   0.675
   23PA   Ca73517565  -3.947   7.117   0.826
   23PA    O73617566  -3.944   7.037   0.920
   23PA    N73717567  -4.057   7.127   0.751
   23PA   Hn73817568  -4.060   7.227   0.735
   23PA   Ch73917569  -4.098   7.041   0.642
   23PA    H74017570  -4.029   7.066   0.561
   23PA    H74117571  -4.073   6.936   0.660
   23PA   Ch74217572  -4.230   7.089   0.584
   23PA    H74317573  -4.248   7.073   0.478
   23PA    H74417574  -4.237   7.199   0.586
   23PA   Ch74517575  -4.337   6.998   0.642
   23PA    H74617576  -4.364   6.918   0.572
   23PA    H74717577  -4.307   6.955   0.738
   23PA   Ch74817578  -4.478   7.057   0.639
   23PA    H74917579  -4.566   7.027   0.582
   23PA    H75017580  -4.479   7.143   0.571
   23PA   Ch75117581  -4.537   7.081   0.777
   23PA    H75217582  -4.526   6.988   0.834
   23PA    H75317583  -4.475   7.165   0.809
   23PA   Ch75417584  -4.675   7.146   0.776
   23PA    H75517585  -4.671   7.226   0.701
   23PA    H75617586  -4.706   7.193   0.869
   23PA    N75717587  -4.784   7.058   0.741
   23PA   Hn75817588  -4.817   6.987   0.805
   23PA   Ca75917589  -4.875   7.067   0.645
   23PA    O76017590  -4.968   7.148   0.634
   23PA   Ch76117591  -4.837   6.973   0.532
   23PA    H76217592  -4.740   6.924   0.536
   23PA    H76317593  -4.893   6.880   0.544
   23PA    H76417594   5.083   7.044   6.282
   23PA    H76517595  -4.852   7.013   0.432
   24PA     Ch117596  -3.568   4.502  -8.615
   24PA      H217597  -3.547   4.577  -8.691
   24PA      H317598  -3.490   4.437  -8.576
   24PA     Ch417599  -3.672   4.401  -8.662
   24PA      H517600  -3.758   4.466  -8.668
   24PA      H617601  -3.689   4.345  -8.570
   24PA     Ch717602  -3.642   4.305  -8.777
   24PA      H817603  -3.589   4.379  -8.839
   24PA      H917604  -3.579   4.233  -8.726
   24PA    Ch1017605  -3.780   4.265  -8.829
   24PA     H1117606  -3.741   4.217  -8.919
   24PA     H1217607  -3.843   4.346  -8.866
   24PA    Ca1317608  -3.866   4.154  -8.771
   24PA     O1417609  -3.842   4.036  -8.793
   24PA     N1517610  -3.967   4.173  -8.685
   24PA    Hn1617611  -4.034   4.205  -8.753
   24PA    Ch1717612  -3.998   4.136  -8.549
   24PA     H1817613  -3.959   4.040  -8.515
   24PA     H1917614  -3.965   4.221  -8.488
   24PA    Ch2017615  -4.150   4.132  -8.538
   24PA     H2117616  -4.190   4.102  -8.635
   24PA     H2217617  -4.169   4.239  -8.546
   24PA    Ch2317618  -4.207   4.037  -8.433
   24PA     H2417619  -4.159   3.943  -8.460
   24PA     H2517620  -4.176   4.063  -8.332
   24PA    Ch2617621  -4.357   4.026  -8.454
   24PA     H2717622  -4.406   4.055  -8.547
   24PA     H2817623  -4.396   4.108  -8.394
   24PA    Ch2917624  -4.435   3.910  -8.393
   24PA     H3017625  -4.410   3.810  -8.431
   24PA     H3117626  -4.392   3.883  -8.296
   24PA    Ch3217627  -4.579   3.942  -8.357
   24PA     H3317628  -4.591   4.050  -8.346
   24PA     H3417629  -4.612   3.890  -8.266
   24PA     N3517630  -4.666   3.897  -8.464
   24PA    Hn3617631  -4.658   3.815  -8.522
   24PA    Ca3717632  -4.768   3.954  -8.528
   24PA     O3817633  -4.879   3.968  -8.477
   24PA    Ch3917634  -4.755   4.023  -8.663
   24PA     H4017635  -4.674   3.975  -8.719
   24PA     H4117636  -4.819   3.985  -8.742
   24PA    Ch4217637  -4.714   4.170  -8.669
   24PA     H4317638  -4.706   4.196  -8.775
   24PA     H4417639  -4.624   4.176  -8.607
   24PA    Ch4517640  -4.813   4.263  -8.600
   24PA     H4617641  -4.912   4.219  -8.580
   24PA     H4717642  -4.766   4.287  -8.505
   24PA    Ch4817643  -4.844   4.385  -8.686
   24PA     H4917644  -4.758   4.439  -8.725
   24PA     H5017645  -4.876   4.454  -8.608
   24PA    Ca5117646  -4.950   4.375  -8.795
   24PA     O5217647  -4.945   4.289  -8.883
   24PA     N5317648  -5.028   4.482  -8.806
   24PA    Hn5417649  -4.950   4.545  -8.792
   24PA    Ch5517650  -5.161   4.499  -8.750
   24PA     H5617651  -5.244   4.485  -8.819
   24PA     H5717652  -5.182   4.427  -8.671
   24PA    Ch5817653  -5.174   4.641  -8.697
   24PA     H5917654  -5.185   4.717  -8.775
   24PA     H6017655  -5.074   4.675  -8.670
   24PA    Ch6117656  -5.268   4.666  -8.579
   24PA     H6217657  -5.368   4.624  -8.587
   24PA     H6317658  -5.226   4.628  -8.486
   24PA    Ch6417659  -5.315   4.809  -8.556
   24PA     H6517660  -5.369   4.837  -8.647
   24PA     H6617661  -5.236   4.883  -8.560
   24PA    Ch6717662  -5.404   4.825  -8.433
   24PA     H6817663  -5.510   4.812  -8.455
   24PA     H6917664  -5.408   4.731  -8.378
   24PA    Ch7017665  -5.403   4.965  -8.374
   24PA     H7117666  -5.441   5.060  -8.410
   24PA     H7217667  -5.302   4.990  -8.342
   24PA     N7317668  -5.463   4.942  -8.244
   24PA    Hn7417669  -5.438   5.021  -8.187
   24PA    Ca7517670  -5.591   4.925  -8.209
   24PA     O7617671  -5.651   4.819  -8.226
   24PA    Ch7717672  -5.648   5.030  -8.114
   24PA     H7817673  -5.748   5.001  -8.081
   24PA     H7917674  -5.586   5.022  -8.025
   24PA    Ch8017675  -5.639   5.177  -8.152
   24PA     H8117676  -5.662   5.167  -8.259
   24PA     H8217677  -5.543   5.223  -8.128
   24PA    Ch8317678  -5.757   5.258  -8.102
   24PA     H8417679  -5.757   5.340  -8.173
   24PA     H8517680  -5.852   5.215  -8.135
   24PA    Ch8617681  -5.759   5.327  -7.965
   24PA     H8717682  -5.794   5.428  -7.983
   24PA     H8817683  -5.661   5.334  -7.918
   24PA    Ca8917684  -5.840   5.257  -7.857
   24PA     O9017685  -5.828   5.136  -7.840
   24PA     N9117686  -5.971   5.277  -7.844
   24PA    Hn9217687  -5.994   5.301  -7.940
   24PA    Ch9317688  -6.056   5.340  -7.745
   24PA     H9417689  -6.045   5.309  -7.641
   24PA     H9517690  -6.021   5.441  -7.768
   24PA    Ch9617691  -6.202   5.311  -7.778
   24PA     H9717692  -6.230   5.309  -7.883
   24PA     H9817693  -6.247   5.393  -7.723
   24PA    Ch9917694  -6.255   5.192  -7.698
   24PA    H10017695  -6.191   5.106  -7.720
   24PA    H10117696  -6.250   5.221  -7.593
   24PA   Ch10217697  -6.394   5.160  -7.749
   24PA    H10317698  -6.458   5.242  -7.784
   24PA    H10417699  -6.430   5.128  -7.651
   24PA   Ch10517700  -6.422   5.039  -7.837
   24PA    H10617701  -6.360   4.950  -7.822
   24PA    H10717702  -6.521   5.000  -7.810
   24PA   Ch10817703  -6.418   5.076  -7.984
   24PA    H10917704  -6.346   5.156  -8.005
   24PA    H11017705  -6.520   5.098  -8.017
   24PA    N11117706  -6.379   4.953  -8.050
   24PA   Hn11217707  -6.445   4.880  -8.028
   24PA   Ca11317708  -6.274   4.904  -8.117
   24PA    O11417709  -6.252   4.949  -8.230
   24PA   Ch11517710  -6.185   4.818  -8.029
   24PA    H11617711  -6.244   4.740  -7.981
   24PA    H11717712  -6.134   4.756  -8.102
   24PA   Ch11817713  -6.070   4.892  -7.962
   24PA    H11917714  -6.097   4.967  -7.887
   24PA    H12017715  -6.031   4.950  -8.047
   24PA   Ch12117716  -5.959   4.806  -7.903
   24PA    H12217717  -5.878   4.878  -7.897
   24PA    H12317718  -5.996   4.763  -7.810
   24PA   Ch12417719  -5.902   4.689  -7.982
   24PA    H12517720  -5.794   4.700  -7.976
   24PA    H12617721  -5.921   4.728  -8.082
   24PA   Ca12717722  -5.935   4.543  -7.954
   24PA    O12817723  -5.969   4.512  -7.840
   24PA    N12917724  -5.919   4.455  -8.054
   24PA   Hn13017725  -5.947   4.510  -8.134
   24PA   Ch13117726  -5.801   4.373  -8.069
   24PA    H13217727  -5.724   4.446  -8.094
   24PA    H13317728  -5.766   4.314  -7.984
   24PA   Ch13417729  -5.822   4.287  -8.193
   24PA    H13517730  -5.849   4.344  -8.282
   24PA    H13617731  -5.915   4.231  -8.195
   24PA   Ch13717732  -5.705   4.190  -8.210
   24PA    H13817733  -5.688   4.131  -8.119
   24PA    H13917734  -5.746   4.117  -8.279
   24PA   Ch14017735  -5.585   4.252  -8.281
   24PA    H14117736  -5.558   4.354  -8.252
   24PA    H14217737  -5.596   4.237  -8.388
   24PA   Ch14317738  -5.453   4.177  -8.267
   24PA    H14417739  -5.445   4.205  -8.162
   24PA    H14517740  -5.450   4.068  -8.270
   24PA   Ch14617741  -5.336   4.241  -8.340
   24PA    H14717742  -5.367   4.331  -8.394
   24PA    H14817743  -5.289   4.166  -8.404
   24PA    N14917744  -5.233   4.283  -8.247
   24PA   Hn15017745  -5.241   4.248  -8.153
   24PA   Ca15117746  -5.100   4.284  -8.260
   24PA    O15217747  -5.046   4.389  -8.295
   24PA   Ch15317748  -5.026   4.159  -8.216
   24PA    H15417749  -5.088   4.075  -8.248
   24PA    H15517750  -4.947   4.150  -8.290
   24PA   Ch15617751  -4.972   4.117  -8.080
   24PA    H15717752  -5.057   4.071  -8.029
   24PA    H15817753  -4.950   4.218  -8.047
   24PA   Ch15917754  -4.838   4.046  -8.088
   24PA    H16017755  -4.815   3.991  -7.996
   24PA    H16117756  -4.841   3.949  -8.138
   24PA   Ch16217757  -4.717   4.132  -8.120
   24PA    H16317758  -4.718   4.199  -8.206
   24PA    H16417759  -4.652   4.046  -8.132
   24PA   Ca16517760  -4.654   4.212  -8.006
   24PA    O16617761  -4.531   4.217  -7.998
   24PA    N16717762  -4.746   4.301  -7.967
   24PA   Hn16817763  -4.784   4.287  -7.875
   24PA   Ch16917764  -4.760   4.428  -8.034
   24PA    H17017765  -4.663   4.461  -8.073
   24PA    H17117766  -4.837   4.411  -8.110
   24PA   Ch17217767  -4.815   4.533  -7.938
   24PA    H17317768  -4.877   4.492  -7.859
   24PA    H17417769  -4.874   4.606  -7.992
   24PA   Ch17517770  -4.730   4.627  -7.852
   24PA    H17617771  -4.629   4.590  -7.835
   24PA    H17717772  -4.687   4.708  -7.911
   24PA   Ch17817773  -4.799   4.694  -7.734
   24PA    H17917774  -4.815   4.615  -7.661
   24PA    H18017775  -4.890   4.744  -7.770
   24PA   Ch18117776  -4.717   4.797  -7.659
   24PA    H18217777  -4.672   4.869  -7.728
   24PA    H18317778  -4.797   4.843  -7.601
   24PA   Ch18417779  -4.626   4.743  -7.550
   24PA    H18517780  -4.540   4.697  -7.600
   24PA    H18617781  -4.668   4.673  -7.478
   24PA    N18717782  -4.563   4.850  -7.476
   24PA   Hn18817783  -4.608   4.939  -7.456
   24PA   Ca18917784  -4.465   4.839  -7.386
   24PA    O19017785  -4.352   4.816  -7.429
   24PA   Ch19117786  -4.482   4.835  -7.235
   24PA    H19217787  -4.590   4.825  -7.231
   24PA    H19317788  -4.448   4.741  -7.191
   24PA   Ch19417789  -4.475   4.975  -7.176
   24PA    H19517790  -4.567   5.034  -7.179
   24PA    H19617791  -4.397   5.035  -7.223
   24PA   Ch19717792  -4.437   4.967  -7.029
   24PA    H19817793  -4.512   4.908  -6.977
   24PA    H19917794  -4.353   4.903  -7.001
   24PA   Ch20017795  -4.417   5.088  -6.938
   24PA    H20117796  -4.423   5.050  -6.836
   24PA    H20217797  -4.512   5.141  -6.950
   24PA   Ca20317798  -4.299   5.182  -6.958
   24PA    O20417799  -4.325   5.302  -6.954
   24PA    N20517800  -4.173   5.141  -6.941
   24PA   Hn20617801  -4.161   5.064  -7.005
   24PA   Ch20717802  -4.077   5.139  -6.833
   24PA    H20817803  -4.082   5.238  -6.788
   24PA    H20917804  -4.100   5.053  -6.771
   24PA   Ch21017805  -3.941   5.099  -6.890
   24PA    H21117806  -3.928   5.028  -6.972
   24PA    H21217807  -3.891   5.029  -6.823
   24PA   Ch21317808  -3.841   5.213  -6.900
   24PA    H21417809  -3.868   5.291  -6.972
   24PA    H21517810  -3.847   5.276  -6.811
   24PA   Ch21617811  -3.694   5.177  -6.917
   24PA    H21717812  -3.641   5.109  -6.850
   24PA    H21817813  -3.638   5.266  -6.887
   24PA   Ch21917814  -3.648   5.124  -7.052
   24PA    H22017815  -3.720   5.042  -7.056
   24PA    H22117816  -3.670   5.182  -7.142
   24PA   Ch22217817  -3.506   5.072  -7.068
   24PA    H22317818  -3.488   5.017  -6.976
   24PA    H22417819  -3.447   5.163  -7.055
   24PA    N22517820  -3.477   5.006  -7.194
   24PA   Hn22617821  -3.513   5.049  -7.279
   24PA   Ca22717822  -3.443   4.879  -7.216
   24PA    O22817823  -3.325   4.851  -7.201
   24PA   Ch22917824  -3.553   4.786  -7.266
   24PA    H23017825  -3.648   4.799  -7.215
   24PA    H23117826  -3.554   4.824  -7.369
   24PA   Ch23217827  -3.540   4.637  -7.294
   24PA    H23317828  -3.433   4.624  -7.313
   24PA    H23417829  -3.602   4.613  -7.381
   24PA   Ch23517830  -3.603   4.539  -7.196
   24PA    H23617831  -3.542   4.565  -7.109
   24PA    H23717832  -3.703   4.577  -7.179
   24PA   Ch23817833  -3.605   4.392  -7.235
   24PA    H23917834  -3.521   4.363  -7.298
   24PA    H24017835  -3.691   4.397  -7.302
   24PA   Ca24117836  -3.634   4.289  -7.127
   24PA    O24217837  -3.534   4.234  -7.082
   24PA    N24317838  -3.759   4.255  -7.095
   24PA   Hn24417839  -3.812   4.341  -7.087
   24PA   Ch24517840  -3.817   4.124  -7.115
   24PA    H24617841  -3.854   4.125  -7.218
   24PA    H24717842  -3.733   4.054  -7.107
   24PA   Ch24817843  -3.929   4.095  -7.017
   24PA    H24917844  -4.025   4.146  -7.028
   24PA    H25017845  -3.890   4.116  -6.917
   24PA   Ch25117846  -3.964   3.947  -7.001
   24PA    H25217847  -3.965   3.905  -7.102
   24PA    H25317848  -3.888   3.909  -6.933
   24PA   Ch25417849  -4.105   3.917  -6.954
   24PA    H25517850  -4.169   3.953  -7.035
   24PA    H25617851  -4.106   3.989  -6.872
   24PA   Ch25717852  -4.134   3.769  -6.935
   24PA    H25817853  -4.096   3.730  -7.030
   24PA    H25917854  -4.070   3.699  -6.882
   24PA   Ch26017855  -4.272   3.720  -6.894
   24PA    H26117856  -4.344   3.742  -6.973
   24PA    H26217857  -4.302   3.781  -6.809
   24PA    N26317858  -4.278   3.579  -6.860
   24PA   Hn26417859  -4.208   3.508  -6.879
   24PA   Ca26517860  -4.377   3.539  -6.781
   24PA    O26617861  -4.454   3.464  -6.841
   24PA   Ch26717862  -4.334   3.471  -6.652
   24PA    H26817863  -4.344   3.365  -6.675
   24PA    H26917864  -4.227   3.480  -6.632
   24PA   Ch27017865  -4.394   3.518  -6.520
   24PA    H27117866  -4.502   3.529  -6.530
   24PA    H27217867  -4.368   3.624  -6.511
   24PA   Ch27317868  -4.340   3.440  -6.401
   24PA    H27417869  -4.372   3.338  -6.420
   24PA    H27517870  -4.233   3.465  -6.399
   24PA   Ch27617871  -4.395   3.484  -6.266
   24PA    H27717872  -4.382   3.395  -6.205
   24PA    H27817873  -4.502   3.506  -6.267
   24PA   Ca27917874  -4.352   3.609  -6.192
   24PA    O28017875  -4.333   3.707  -6.264
   24PA    N28117876  -4.381   3.625  -6.063
   24PA   Hn28217877  -4.477   3.592  -6.059
   24PA   Ch28317878  -4.306   3.668  -5.947
   24PA    H28417879  -4.293   3.596  -5.866
   24PA    H28517880  -4.213   3.706  -5.989
   24PA   Ch28617881  -4.376   3.790  -5.889
   24PA    H28717882  -4.483   3.769  -5.897
   24PA    H28817883  -4.366   3.867  -5.965
   24PA   Ch28917884  -4.336   3.821  -5.745
   24PA    H29017885  -4.341   3.725  -5.693
   24PA    H29117886  -4.238   3.852  -5.779
   24PA   Ch29217887  -4.405   3.945  -5.690
   24PA    H29317888  -4.513   3.936  -5.673
   24PA    H29417889  -4.378   4.031  -5.752
   24PA   Ch29517890  -4.346   3.974  -5.553
   24PA    H29617891  -4.403   3.902  -5.494
   24PA    H29717892  -4.238   3.960  -5.554
   24PA   Ch29817893  -4.372   4.114  -5.500
   24PA    H29917894  -4.478   4.109  -5.475
   24PA    H30017895  -4.366   4.193  -5.575
   24PA    N30117896  -4.296   4.133  -5.378
   24PA   Hn30217897  -4.207   4.180  -5.389
   24PA   Ca30317898  -4.328   4.143  -5.249
   24PA    O30417899  -4.366   4.037  -5.199
   24PA   Ch30517900  -4.350   4.282  -5.191
   24PA    H30617901  -4.391   4.249  -5.095
   24PA    H30717902  -4.264   4.349  -5.188
   24PA   Ch30817903  -4.480   4.356  -5.222
   24PA    H30917904  -4.567   4.291  -5.233
   24PA    H31017905  -4.449   4.390  -5.321
   24PA   Ch31117906  -4.512   4.483  -5.145
   24PA    H31217907  -4.525   4.451  -5.041
   24PA    H31317908  -4.427   4.550  -5.153
   24PA   Ch31417909  -4.634   4.558  -5.197
   24PA    H31517910  -4.666   4.492  -5.277
   24PA    H31617911  -4.586   4.655  -5.214
   24PA   Ca31717912  -4.731   4.545  -5.081
   24PA    O31817913  -4.786   4.438  -5.055
   24PA    N31917914  -4.763   4.656  -5.014
   24PA   Hn32017915  -4.698   4.724  -5.052
   24PA   Ch32117916  -4.887   4.723  -4.980
   24PA    H32217917  -4.935   4.760  -5.071
   24PA    H32317918  -4.940   4.651  -4.919
   24PA   Ch32417919  -4.846   4.846  -4.900
   24PA    H32517920  -4.748   4.885  -4.927
   24PA    H32617921  -4.837   4.805  -4.799
   24PA   Ch32717922  -4.949   4.956  -4.881
   24PA    H32817923  -4.901   5.051  -4.855
   24PA    H32917924  -4.982   4.980  -4.982
   24PA   Ch33017925  -5.079   4.937  -4.803
   24PA    H33117926  -5.057   4.859  -4.730
   24PA    H33217927  -5.146   4.881  -4.866
   24PA   Ch33317928  -5.134   5.045  -4.710
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   24PA    H33817933  -5.142   5.267  -4.728
   24PA    N33917934  -5.325   5.198  -4.753
   24PA   Hn34017935  -5.373   5.146  -4.682
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   24PA    H34817943  -5.617   5.341  -4.700
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   24PA    H35017945  -5.606   5.451  -4.410
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   24PA   Ch35217947  -5.799   5.424  -4.508
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   24PA    H35417949  -5.856   5.403  -4.598
   24PA   Ca35517950  -5.880   5.530  -4.435
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   24PA    N35717952  -5.944   5.617  -4.513
   24PA   Hn35817953  -6.007   5.586  -4.586
   24PA   Ch35917954  -5.901   5.750  -4.551
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   24PA    H36317958  -5.883   5.644  -4.751
   24PA    H36417959  -5.800   5.795  -4.737
   24PA   Ch36517960  -6.007   5.800  -4.779
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   24PA    H36717962  -6.033   5.906  -4.769
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   24PA    H36917964  -5.980   5.670  -4.944
   24PA    H37017965  -5.933   5.810  -4.984
   24PA   Ch37117966  -6.145   5.805  -5.004
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   24PA    H37317968  -6.173   5.911  -5.006
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   24PA    H37617971  -6.032   5.801  -5.174
   24PA    N37717972  -6.223   5.837  -5.226
   24PA   Hn37817973  -6.270   5.916  -5.185
   24PA   Ca37917974  -6.256   5.830  -5.355
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   24PA    H38517980  -6.468   5.931  -5.466
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   24PA    H38817983  -6.537   6.136  -5.539
   24PA    H38917984  -6.400   6.200  -5.446
   24PA   Ch39017985  -6.347   6.177  -5.646
   24PA    H39117986  -6.267   6.105  -5.665
   24PA    H39217987  -6.281   6.259  -5.617
   24PA   Ca39317988  -6.425   6.226  -5.767
   24PA    O39417989  -6.388   6.194  -5.880
   24PA    N39517990  -6.526   6.312  -5.753
   24PA   Hn39617991  -6.489   6.371  -5.680
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   24PA    H39917994  -6.696   6.171  -5.736
   24PA   Ch40017995  -6.741   6.358  -5.646
   24PA    H40117996  -6.774   6.450  -5.695
   24PA    H40217997  -6.677   6.416  -5.580
   24PA   Ch40317998  -6.837   6.272  -5.564
   24PA    H40417999  -6.917   6.227  -5.623
   24PA    H40518000  -6.766   6.203  -5.518
   24PA   Ch40618001  -6.914   6.332  -5.447
   24PA    H40718002  -6.989   6.387  -5.504
   24PA    H40818003  -6.854   6.393  -5.379
   24PA   Ch40918004  -6.983   6.224  -5.366
   24PA    H41018005  -7.071   6.198  -5.426
   24PA    H41118006  -6.927   6.133  -5.341
   24PA   Ch41218007  -7.034   6.277  -5.233
   24PA    H41318008  -7.137   6.242  -5.226
   24PA    H41418009  -7.026   6.383  -5.207
   24PA    N41518010  -6.953   6.227  -5.124
   24PA   Hn41618011  -6.909   6.287  -5.055
   24PA   Ca41718012  -6.967   6.112  -5.058
   24PA    O41818013  -6.870   6.036  -5.055
   24PA   Ch41918014  -7.054   6.127  -4.934
   24PA    H42018015  -7.089   6.228  -4.912
   24PA    H42118016  -7.143   6.070  -4.963
   24PA   Ch42218017  -7.001   6.085  -4.798
   24PA    H42318018  -6.979   6.182  -4.753
   24PA    H42418019  -6.910   6.024  -4.798
   24PA   Ch42518020  -7.084   6.023  -4.686
   24PA    H42618021  -7.107   5.919  -4.710
   24PA    H42718022  -7.014   6.026  -4.603
   24PA   Ch42818023  -7.214   6.089  -4.642
   24PA    H42918024  -7.301   6.026  -4.654
   24PA    H43018025  -7.253   6.164  -4.710
   24PA   Ca43118026  -7.228   6.144  -4.500
   24PA    O43218027  -7.198   6.255  -4.458
   24PA    N43318028  -7.216   6.046  -4.410
   24PA   Hn43418029  -7.134   5.993  -4.435
   24PA   Ch43518030  -7.332   5.982  -4.353
   24PA    H43618031  -7.405   6.059  -4.379
   24PA    H43718032  -7.354   5.885  -4.398
   24PA   Ch43818033  -7.301   5.934  -4.212
   24PA    H43918034  -7.259   6.005  -4.140
   24PA    H44018035  -7.243   5.843  -4.229
   24PA   Ch44118036  -7.427   5.890  -4.138
   24PA    H44218037  -7.484   5.982  -4.130
   24PA    H44318038  -7.471   5.821  -4.210
   24PA   Ch44418039  -7.425   5.834  -3.996
   24PA    H44518040  -7.479   5.889  -3.920
   24PA    H44618041  -7.322   5.847  -3.963
   24PA   Ch44718042  -7.426   5.682  -3.997
   24PA    H44818043  -7.521   5.636  -4.022
   24PA    H44918044  -7.348   5.645  -4.064
   24PA   Ch45018045  -7.375   5.614  -3.870
   24PA    H45118046  -7.291   5.679  -3.848
   24PA    H45218047  -7.340   5.515  -3.899
   24PA    N45318048  -7.473   5.606  -3.764
   24PA   Hn45418049  -7.567   5.579  -3.794
   24PA   Ca45518050  -7.466   5.681  -3.654
   24PA    O45618051  -7.396   5.640  -3.562
   24PA   Ch45718052  -7.555   5.801  -3.628
   24PA    H45818053  -7.486   5.877  -3.594
   24PA    H45918054  -7.602   5.828  -3.723
   24PA   Ch46018055  -7.662   5.755  -3.529
   24PA    H46118056  -7.639   5.790  -3.429
   24PA    H46218057  -7.669   5.650  -3.501
   24PA   Ch46318058  -7.793   5.827  -3.560
   24PA    H46418059  -7.790   5.927  -3.604
   24PA    H46518060  -7.828   5.757  -3.636
   24PA   Ch46618061  -7.896   5.837  -3.448
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