correction to 4P energy and csa examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa_1769.int

    1  -192.825 0
   93.6585   92.6126   93.6617   92.4071   91.0594  103.9003   92.0548   93.5844
   94.0228   93.8700  125.7413  118.0188  127.2712  122.3484  126.6810  127.8324
  117.1107  118.1637  118.8512   93.3836
   58.7033  154.4138   93.8588    2.2092  -90.5697  170.6667   81.9908   77.2502
 -100.4487   29.9093  -52.0094 -168.8125 -155.9183  -74.3439  -27.1607  -83.8135
 -107.6818 -134.8584    7.7087
  149.6305  138.0055  125.1009   81.3552  134.9490  148.6365  158.2693  119.7036
   98.4159    0.0000    0.0000  124.7531  162.6515  144.7931    0.0000   88.6025
  125.2168  108.6492  124.2874  116.3018
  -21.8269 -178.5138  -43.9758  -81.9539 -103.8787   31.4027 -162.0500 -140.9875
  -70.5613    0.0000    0.0000 -132.5394  -71.6861  -57.0594    0.0000  -64.6013
 -134.0368 -108.3555 -131.4480  -76.5010
    2  -172.419 0
   93.6063   92.5849  116.9310  125.8067   91.2744   92.0090   91.5593   92.7921
   93.3340   94.6207  132.7685   92.8825  125.2124  124.3748  128.4392  129.6984
  117.7633  118.0542  117.7387   94.5829
   40.9498  145.6039   36.7710 -109.1484   61.2714   67.4143   53.4107   88.1950
  -78.4861  144.4387  -54.8623   77.2069  -71.7755  -65.3723  -27.2524  -90.0790
 -109.6420 -116.6503 -110.0410
  142.6250  134.6706  112.9983  137.5370  121.3955  148.1522  147.2015  100.7674
  136.6204    0.0000    0.0000  101.9856  120.5798  146.3782    0.0000  128.1899
  131.2115  111.4865  122.5154  116.3754
 -135.9039  -30.9542  -82.7316 -104.8334 -103.8908  -30.7667  -90.4821 -114.1458
  -13.3206    0.0000    0.0000 -106.4658  -83.3554  -61.3551    0.0000  112.3721
 -146.4884 -111.5633 -128.8112  -76.7003
    3  -157.913 0
   93.6098  118.9473  118.0012  123.2582   91.8943  113.6322   92.6056  127.3347
  126.1012  134.0772  131.6267  118.0796   93.4453  114.6874  115.0955  130.5757
  116.1419  117.9616   93.3471   93.3582
  105.1970 -179.7455  167.8540  170.2074   61.8599  149.3466   94.1644 -101.2615
  -76.3179 -164.1982  -62.4539  -81.1443   69.7249  -86.7413 -174.2754  -84.3903
 -104.4786 -137.1020   57.7577
  143.7080  151.2315  169.9893  164.1112  131.6671   99.3984  149.8674  132.5760
  105.9147    0.0000    0.0000  119.4367  112.8305  118.3432    0.0000   93.9455
  123.5844  111.1208   89.4461  129.3751
 -131.5205  -14.1185 -174.7154  -91.7132 -119.3205 -101.3866 -117.8839 -140.0502
  -74.6686    0.0000    0.0000 -125.6382  -74.4988  -79.6486    0.0000  -64.6146
 -132.5002 -111.3070 -101.7679 -135.5561
    4  -159.950 0
  117.7870  122.1866  128.2204  120.2863   91.3698   92.1895   91.7302   92.7276
   93.6498  122.4869   94.9114   93.1183  129.4014  123.2152  127.7081  127.4985
  117.1082  118.1500  118.7992   93.3865
 -134.0982 -172.6904 -106.0360  -95.3430   53.9968   57.5946   51.3955   72.9775
  -51.4218 -147.9428   70.8484  103.1874 -105.8515  -75.7196  -25.5476  -83.0423
 -107.7358 -134.6471    7.7663
  152.7985  142.5748  144.4655  151.5091  118.9466  150.1051  148.5631  100.8194
  138.2338    0.0000    0.0000   98.5017  120.6630  146.9931    0.0000   87.6823
  124.5928  108.6643  123.9350  116.3173
 -156.9475  -29.2719 -120.3780   65.1229  -99.3497  -28.1569 -109.7183 -113.0602
  -16.7075    0.0000    0.0000 -105.2090  -85.3984  -55.8597    0.0000  -64.9600
 -132.7268 -108.4556 -131.0674  -76.5178
    5  -194.422 0
   93.6065   92.6754   92.3630   92.6910   91.6370   92.9883   92.7359   91.1776
   91.0528   92.5873  112.0871  118.8751   94.8688   94.3756   96.6137  131.3527
  119.2170  117.8217  117.9093  121.6120
   47.2362  163.9844   77.2177   40.7903   53.1899   52.7445  111.2158  -28.4457
  -60.3049   15.2852  -79.7509   25.2334  -53.1888  -24.1186   90.3266 -102.8055
 -110.0778 -116.5011 -115.8549
  143.5618  176.4814  176.4722  103.8683  118.7529  149.5232  150.5602  136.0072
   79.6491    0.0000    0.0000  120.5573  128.7625  134.7579    0.0000  138.1418
  116.8165  123.1175  118.6206  121.5173
 -129.6520 -148.2080 -109.0684  -56.7787  -58.3540  -28.3595 -156.7228 -139.9141
  -84.0695    0.0000    0.0000 -126.1013  -17.0897 -109.6293    0.0000  155.2655
 -122.8723 -127.2933 -121.8132  -79.8651
    6  -189.135 0
   93.6347  114.7123   94.2479   92.9937   91.3690  106.0518   91.8127   92.5959
   93.9189   95.8192  131.2725   92.1093   92.5293   95.5422   95.9387  128.4336
  117.8012  117.5363   93.1690   93.3364
  100.9939  170.3217   92.7004    0.2735  -88.2127  171.1647   84.6981   91.7124
   35.7230   70.2611  -60.8724   69.4945   29.0660 -113.1693  155.1818  -93.2604
 -109.6661 -136.6370   57.7616
  108.0046  176.4299  176.3849  119.8788  131.5548  146.5746  155.1924  128.7096
  140.4019    0.0000    0.0000  101.7500  104.3283  106.3014    0.0000   51.0645
  115.8774  133.9888  101.6777  115.9866
  -80.5192   -6.4783   14.8127  -69.0783 -118.6411   20.9246  135.9159 -147.4486
  -14.9940    0.0000    0.0000 -105.3380  -79.3004  -81.8965    0.0000  -80.6952
 -121.0213 -145.0318  -98.8959  -76.6681
    7  -183.409 0
   93.6097   92.6739   92.4948   92.4017   91.5356   92.4257   91.8181   92.6207
  109.3702   94.6905  134.4009   93.2889  127.4736  125.0710  135.9023  127.4284
  117.1084  118.0655  117.7304  121.5718
   47.6036  166.1124   76.8617   41.2456   47.7492   50.1157   55.7412   73.8411
  -98.7851  154.8475  -59.5130   74.5937  -80.7867 -159.1071 -104.6689  -90.3021
 -108.8658 -118.6703 -115.8282
  143.6906  176.4842  176.4833  110.7119  124.2618  150.3940  155.5997  105.6535
  137.7429    0.0000    0.0000  128.8035  115.7012  147.3603    0.0000   93.3320
  125.3155  108.8046  124.5245  121.4824
 -129.7579 -154.0321  114.5572  -62.6442  -60.2286  -30.3439 -177.9190  -98.4343
  -25.8356    0.0000    0.0000 -151.8063  -79.6963  -61.9287    0.0000  -61.7040
 -134.0508 -108.5984 -132.5320  -79.8462
    8  -147.884 0
   93.6590   92.5685  119.2789  119.7172   91.7086  127.5433   92.4481  129.8597
  121.5742  134.8494  132.6637   92.5956   92.8359   93.4606   94.9394  120.6783
  117.5829  117.9096  117.6251  118.9226
   44.8737  150.4717  106.4276 -115.3640   67.3223    7.1072   84.4920  -79.0554
 -171.7763  -70.5565  -42.5257   63.6019   53.0877   53.9866   67.0151  -86.1151
 -107.3677 -139.3062   -1.3935
  146.5397  124.8815  165.5464  116.0952  128.1688  160.9704  137.8476  139.4032
  112.5640    0.0000    0.0000  101.2993  107.4120  109.9932    0.0000  118.7205
  122.2664  111.7043  129.7844  120.7725
  -28.2506  -87.4531    3.5729  -67.5451 -128.8295  126.1287 -110.0464 -161.7220
  -69.2101    0.0000    0.0000 -106.4736  -75.1034  -81.4215    0.0000  -50.0185
 -129.0694 -112.5845 -140.3230  -79.3792
    9  -148.132 0
   93.6125   92.6691   93.1451   93.1866   91.6223  109.9065   92.3074  123.3221
  120.7878  125.3396  130.4444  118.2268  127.1695  126.3662  126.1525  129.3302
  117.1412  118.0770  117.7513  121.4548
   47.3071  161.3497   77.2054   87.8355   -9.6229  171.0338   69.4219  179.1170
 -174.3391   16.6285  -39.1825 -138.7281 -150.5222 -167.6299  172.6831  -97.6595
 -108.4306 -119.1334 -115.7867
  143.7694  176.4802  176.5079  110.1212  125.6012  150.6815  125.7477  107.7102
  111.7686    0.0000    0.0000  122.0664  120.7763  148.8538    0.0000   99.2675
  125.3333  108.7628  124.6009  149.2531
 -130.0344 -160.9401  123.2726  -64.9409  -57.0202  -19.5961   66.4296 -121.9479
  -70.1233    0.0000    0.0000 -129.0130  -77.8318  -56.9173    0.0000  -58.3488
 -134.0936 -108.5915 -132.5601  -84.2606
   10  -143.907 0
   93.6397  119.2037  119.0400  122.1441   91.6772   92.9450   91.8299  111.1196
   94.8792  134.9531  128.6313  118.2825  127.2297  126.1237  135.1114  127.3056
  117.1100  118.0751  117.7500   94.5846
   11.8348 -108.3171  178.4523 -178.2000   65.3196   98.5747   60.6862  167.5261
  165.7291  -73.5618  -35.6814 -138.3678 -145.8502 -150.9613 -102.2215  -91.4440
 -108.8174 -118.3441 -110.0411
  109.3407  118.1496  172.8337  170.3843  138.0892  111.1409  135.8791  102.7461
  136.4968    0.0000    0.0000  122.1850  120.3152  148.9177    0.0000   94.1693
  125.3105  108.8001  124.5481  116.6186
  -81.1537  -78.3940  163.1864 -174.7871 -116.9128   90.9837  -92.1884 -115.9412
  -23.4004    0.0000    0.0000 -129.2050  -77.5022  -58.0212    0.0000  -61.1789
 -134.0772 -108.6109 -132.5602  -76.7371
   11  -186.067 0
   93.6529  118.2419  119.5251  122.1799   91.6166   93.0754   92.0696  115.7009
  120.4969  134.4594  132.7206  110.2691   91.5103   91.8138  109.4680  131.9769
  117.1263  118.4178   93.0590   93.3336
  101.7748 -179.0469  169.4315  -97.3762   51.1004   76.5625   71.4124  -84.1811
  173.9162  -74.7322  -38.5280  -30.1320   96.3568  -19.5656  -37.8497  -63.9680
 -106.4468 -138.5165   58.0608
  147.1643  154.4713  175.0086  164.1738  119.5686  149.3822  149.7523  112.5699
  114.6521    0.0000    0.0000  124.3038  113.3493  102.3859    0.0000   66.0546
  125.4637  117.1802  103.1614  115.6950
  -31.2238  -15.6669  165.9843 -139.1896  -94.4690  -17.6194 -110.4405 -123.6566
  -87.4930    0.0000    0.0000 -136.3656  -74.3890  -77.8905    0.0000  -68.5067
 -132.3896 -119.2807 -117.4759  -76.6292
   12  -161.113 0
  117.2500  121.3861   94.3010   92.9649   91.7945   93.5532   92.5550  127.0867
  120.3576  130.9164  129.3888  118.0718  126.4237   93.6521   95.1975  122.7469
  117.9073  117.9806  117.7198  121.4578
 -139.3090 -175.7844   79.7277   45.9745   46.9977   55.1871  -74.3345 -169.5012
  -75.7061  -73.7468  -33.9841 -137.8583 -146.9403   68.3689   81.8866  -79.6662
 -109.2453 -119.6689 -115.7854
  148.3908  175.3067  176.5050  118.1670  148.7401  128.5334  149.6018  126.5192
  108.6341    0.0000    0.0000  122.2915  128.3458  115.1241    0.0000  151.4588
  115.7147  113.2770  123.0224  149.2408
 -159.4876   -6.4620  134.3398  -63.5690 -160.1162 -101.2234  177.6312  119.7949
  -73.6057    0.0000    0.0000 -129.4283  -19.9825  -74.9091    0.0000  -23.4840
 -119.9882 -115.1691 -129.0487  -84.4368
   13  -146.784 0
   93.6446  114.0251   93.8885   93.9886  103.4785  116.0638  125.2647  125.1113
   96.4321   94.8046  132.7163  123.4872   92.3517   91.6253  127.2539  124.9042
  117.7890  118.0333  117.7980  121.6740
   96.3702  175.7951   93.3011   31.7675  -76.0177 -157.4081  -80.1116 -165.9344
  168.7393   83.0640  -89.0211   20.0687  -56.1594    1.2702  -22.3303  -75.2921
 -110.7878 -116.2459 -115.8414
  147.4063  153.3897  151.2644  115.8535  126.5981  152.4896  176.4525  126.9495
  134.2248    0.0000    0.0000  118.8906  108.9938  113.0998    0.0000  129.1844
  122.2745  112.7028  122.2283  149.2317
  -33.1821  160.5816   48.2737 -103.8857 -102.1208   31.3580   -5.4210 -121.8413
  -11.6289    0.0000    0.0000 -121.1253  -73.1237  -75.5543    0.0000   90.3201
 -133.1695 -113.5593 -128.1198  -84.4856
   14  -156.664 0
   93.6191   92.7018  122.6442  117.7589   91.6495   93.7937   92.1484  117.3721
  121.8862   94.3971   94.8770  115.1197  128.3319  125.9283  124.4403  129.2885
  118.1587  108.1947  119.7812   93.7636
   47.0733  153.5504  102.3319 -116.0309   46.8779   78.4180   69.6692 -121.8404
  -97.4962   36.6653   47.9341  168.3264 -159.3564 -170.6634  171.7631  -78.8433
 -141.0219  137.5284  152.7467
  144.6873  121.4899  171.3841  157.8840  124.9559  149.1606  161.1028  116.5933
  141.7960    0.0000    0.0000  119.7098  137.2830  113.5868    0.0000  150.0984
  116.4469  103.4264  118.7912  116.1923
 -134.6690  -49.5304  156.0027  -64.1710 -116.4118  -41.1861 -113.4273 -130.4508
  -29.2084    0.0000    0.0000 -127.4323    9.3152  -87.8442    0.0000   62.5405
 -121.3608 -100.0602 -125.5360  -76.5164
   15  -156.268 0
  117.6768  122.9346  120.7218  111.4079   90.9070   95.2720  115.5862   93.2185
  115.5868  123.2388  133.1429   92.2042   93.0237  109.9882  132.5814  133.0499
  116.9891  117.9003  117.7317  121.6877
 -137.3294 -169.2653  174.3684   99.4146   -9.8261  -74.5482 -176.8801  106.3264
 -100.6909 -178.4270  -54.6969   58.3190   22.4548  -80.7511  -43.0024  -85.2602
 -109.7270 -116.9952 -115.9857
  151.9966  149.9883  166.7000  168.4888  141.1699  136.4750  176.4402  120.2129
  139.8330    0.0000    0.0000  128.6560  107.6926  116.5491    0.0000   91.0303
  126.1827  113.6932  123.6428  121.5950
 -156.4705  -21.8949  144.9025 -169.0499 -109.2322   54.4350 -148.6190 -158.4908
  -14.5546    0.0000    0.0000 -152.3263  -74.3846  -81.3122    0.0000  -63.3679
 -135.0893 -116.2744 -130.3343  -79.8811
   16  -136.295 0
   93.6509   92.6666  122.6498  118.2823   91.7559   92.7550   91.6785   92.2870
   93.2585   94.5773  134.0447  118.4249  125.2471  125.0723  122.6599  127.2647
  118.1958  116.6986   93.1514   93.3558
   42.4395   78.5413  164.8138  176.7828   71.9098   75.8486   68.8182  141.2843
  -61.7087   66.1025  -85.3539  -87.3393  -39.7518  -43.6924   86.4058  -76.3995
 -143.4220  135.1534   80.2502
  146.8671  147.1495  169.2498  167.3330  133.2444  102.6468  169.9743  120.0966
  136.0092    0.0000    0.0000  114.6945  119.0431  122.4523    0.0000  135.2075
  113.5345  123.2656  102.5782  115.8820
  -31.5859 -167.2405  170.0028 -100.6969 -115.8992 -108.5566 -153.7551  145.5239
  -24.1123    0.0000    0.0000 -118.9799  -78.2991  -84.7938    0.0000  155.3066
 -118.4155 -128.4179 -107.1067  -76.7794
   17  -136.109 0
   93.6634   92.6149  118.9170  123.4695   91.7213  114.8840   92.4456  124.8065
  124.7925   95.1670  129.4703  107.0443   93.1187   93.3397  112.5725   93.8429
   93.3027  122.3533  117.9065  121.4318
   50.5044   91.4465  128.6067  -82.5695    2.2388   96.0009  122.0367 -101.8448
  -83.8948   63.9031  -58.5266  106.8462  106.1598  -12.4529  -70.5068  148.4843
  124.8475 -109.5774 -115.5692
  146.9579  130.0466  176.4218  154.2232  113.7550  110.7964  125.3966  151.9449
   94.3302    0.0000    0.0000  123.6725  108.2795  116.5208    0.0000  148.1093
   95.4052  112.5521  123.1202  148.7046
  -24.9478  -29.1478   16.1266  -60.8366  -76.7686 -101.5355  -67.2621 -172.1861
  -77.7310    0.0000    0.0000 -136.4512  -74.4086  -81.4147    0.0000  -53.2668
 -115.8300 -112.6940 -129.9283  -83.4313
   18  -148.964 0
  118.3457  122.8348  119.2684  123.3106  113.2708  117.9340  119.8086  124.2244
   94.2298  131.2146  121.4248   92.1913   93.3691   96.1033  123.3635  131.7786
  116.9011  118.0663  117.7552  121.5184
 -115.4425 -174.5662  177.2220 -161.0881  -50.1331 -156.0766 -171.7154 -175.6933
  151.3128  -61.8227  -54.9246   56.9045   24.0247  -95.0394 -175.5008  -90.2736
 -108.6616 -118.9219 -115.9133
  153.2386  153.8074  171.1870  173.5557  152.6518   99.4687  164.2025  120.6988
  138.9663    0.0000    0.0000  131.0629  108.5374  139.1411    0.0000   96.2424
  127.1554  107.9373  124.8612  149.2587
  -13.7183  -14.5418  172.1212 -151.0208 -132.4858  -83.9783 -154.8301 -113.2249
  -12.5118    0.0000    0.0000 -157.3933  -74.2536  -27.3983    0.0000  -62.6131
 -140.1937 -107.1961 -133.2817  -84.2379
   19  -156.891 0
  117.8917  123.6464  117.3220  117.8992   91.4246   93.1409   92.1772  120.5699
  121.5598  123.9448  134.6516  118.0194  127.0336  125.8044  135.0845  127.2756
  117.1133  118.0710  117.7481  121.6126
  -90.6909  -90.9233  -10.0443 -103.1456   61.9299   66.7155   76.0824  -98.9420
  -72.9098 -167.2016  -55.1086 -138.1129 -146.7719 -151.2067 -101.9223  -91.5518
 -108.8062 -118.3121 -115.8193
  118.8082  154.9103  118.7010  112.8728  123.0525  152.0643  149.1169  121.1688
  107.5673    0.0000    0.0000  122.4380  132.0231  148.4623    0.0000   94.2298
  125.3316  108.8115  124.5151  121.4800
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   20  -138.158 0
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   93.2425  123.3754   94.7529  115.8179  127.1354  125.3978  124.4516  126.4830
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   47.5474   85.5907  132.7576  -96.2138   49.5910   63.2199   57.4182   78.6260
   21.7838 -127.9083   73.1230 -143.9950 -153.5092 -173.2024   31.7881 -107.5899
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   21  -147.204 0
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   92.9532  119.4354  123.7841  116.9744  126.6073   94.1957  129.9779  129.1110
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   -0.1098  -28.2974  -41.5650 -141.2818 -165.7076   57.8992 -171.3493  -88.6934
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   22  -136.325 0
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   23  -149.250 0
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   24  -162.404 0
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   25  -167.903 0
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   95.7256   93.3354  138.2141   92.9091   93.3008   95.8967  116.7550  131.7542
  116.5982  118.0755  117.7295   94.5870
   16.4718 -175.2486   79.5955   77.8619   35.7030  -73.6595  104.5024    7.5362
  -90.2139  158.9556  -40.1846   56.3058   27.5805  -99.6045  179.2358  -86.8056
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   26  -133.338 0
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  123.0714  117.9508   94.2727   92.1394   93.0086   93.4666  132.6409  126.6691
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  -65.1081   -4.2066   75.5817   51.3331   58.0760  125.7519  -45.4250  -71.5067
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   27  -156.837 0
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   28  -145.897 0
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   93.7065  125.2417  134.0042  118.0357  126.7802  126.7243  127.2979  128.9559
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    8.8250  161.2957   43.9773  -72.6531  -11.2552  144.4904   81.4195   99.9419
   22.3041 -164.7172  -55.6824 -137.6819 -144.6263  -97.7373 -170.5332  -82.5247
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   29  -131.932 0
   93.6078  115.8944  130.1913  122.4405   91.9826  127.5148  114.2048  128.1672
  122.1148   95.0317  135.1965  117.9818  127.1751   94.1413  132.5145  128.9065
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   16.8509 -179.3748 -103.8062  173.9133   74.9047  -63.8775 -158.9344 -106.4830
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   30  -144.360 0
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   31  -145.330 0
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   99.6987    0.0000    0.0000  127.5437   95.6379  118.7924    0.0000   88.0092
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   32  -169.380 0
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   95.0448  121.8277  134.4114  118.0219  126.8159  126.2861  125.3185  129.2158
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   33  -154.730 0
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   34  -131.156 0
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   35  -130.584 0
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   93.6275  131.0575   94.5998  116.3393  125.3542  128.5503   94.9328  124.6689
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   46.1474  -71.8863  -55.9579 -177.1417   58.3212  172.6049   67.3381   95.0431
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   36  -167.166 0
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  116.6602  124.2799  133.1294  123.7271   92.6173   91.7306  125.2794  124.7126
  117.7573  118.0341  117.7868  121.5014
   47.1881  164.3643  115.1320 -104.4612   63.1799  106.6338  102.3285  -80.0227
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   37  -130.264 0
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  118.8008   95.2528   95.6423  119.3381  121.1900   94.1800  137.0851   93.5948
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   42.1785  151.7235   95.3222   -0.8605  -87.7828  169.2685   76.4231 -111.6770
  -79.8299   69.9623   75.6264   71.9191  162.1354  120.0973  -80.1936   75.6893
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   38  -152.312 0
   93.6289   92.3552   93.3791   93.4547  104.8866  117.3337  127.5545   93.8407
   94.7560  140.8517   95.2365  117.2183   93.8755  128.2005  125.5321  129.7077
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   51  -160.742 0
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   52  -143.337 0
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   55  -124.930 0
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   93.3849  122.1207  117.9352  121.4135
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