correction to 4P energy and csa examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa_969.int

    1  -171.929 0
   93.6440   92.6101   93.5893   92.4231   91.3332  104.0829   92.2330   93.1541
  118.1859  132.1388  129.5361  118.2646  127.0780  125.8038  134.9633  126.9415
  117.9777  118.0119  117.8143  121.6124
   39.7117  154.9355   95.0565   -0.6919  -87.2131  170.1661   79.3957   94.9555
 -114.7279  -74.5553  -35.2418 -138.7526 -146.9731 -151.0112 -103.6582  -85.2858
 -110.2198 -116.4549 -115.8226
  146.9463  142.2342  124.6907   79.9763  138.8641  150.1859  158.8839  118.6351
  143.9800    0.0000    0.0000  122.1940  132.1653  148.3616    0.0000  150.2338
  116.1844  113.5439  121.8370  121.4748
  -35.3525 -173.7600  -43.5796  -80.4995 -105.0799   19.7771  167.8864 -133.4376
  -17.3493    0.0000    0.0000 -129.1850  -21.0829  -53.3691    0.0000   58.9323
 -121.4472 -115.4385 -127.3757  -79.8651
    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  -156.788 0
  117.7592  122.0860  128.2311  120.4893   91.3724   92.2359   91.6452   92.5732
   93.4158  122.8066  133.7651   92.7813  123.2653  120.1955  128.4528  127.0340
  117.8788  117.3654  120.1943  118.7737
 -134.2439 -173.1126 -108.0402  -94.6953   53.4582   58.5851   51.7394   77.4878
  -60.0723 -170.1627  -66.0644   69.2267  -58.6151  -74.0462 -171.5584  -90.5736
 -108.5413 -137.3091   -1.1048
  152.7793  142.6913  143.9526  153.0676  117.9886  152.3267  148.6173  100.4318
  144.7585    0.0000    0.0000  101.5206  116.2114  118.1894    0.0000   41.9086
  118.9294  149.6228  115.2579  120.4399
 -155.1914  -29.3432 -119.6471   64.2411  -98.3661  -17.2534 -110.8765 -113.1619
   13.8896    0.0000    0.0000 -105.9510  -77.7041  -79.6695    0.0000  -89.6453
 -126.1713 -169.3673 -117.6358  -79.6478
    5  -160.567 0
   93.6112  115.0357  120.5115  109.7939   91.8740   92.2364   92.4413   92.8229
   93.7443   93.9422  117.9948  118.9381   94.7645   94.8125   96.7525  131.1786
  119.0409  117.9261  117.8817  121.6177
   17.3969  176.7665 -169.7272  -24.0003  -91.0299   58.6323   67.4328  159.5288
  -66.5153   38.4957  -89.8718   25.0727  -53.4771  -25.1042   88.9014 -105.4998
 -109.3759 -117.1740 -115.8309
  143.7736  153.1156  132.9370  129.0616  139.8718  156.2413  158.8277  107.3259
  102.6036    0.0000    0.0000  119.6573  141.1265  124.5003    0.0000  139.0694
  116.4584  118.1004  119.9679  121.4726
 -131.2322  -33.1735  -72.0582 -134.9997   56.9623   -4.8935 -113.1636 -133.6916
  -63.4558    0.0000    0.0000 -123.7695   36.7766  165.6695    0.0000  159.2543
 -122.2423 -122.2887 -124.0156  -79.8685
    6  -168.320 0
   93.6392  116.8145  113.8109  121.7309  102.9772   92.7838   91.7517   92.4908
   93.6191   95.9719  133.2230   92.4646   92.6673  107.4140   95.9777  128.6929
  117.1058   93.2196   93.1817   93.3486
  104.9353  168.0749  126.1770  -72.3675  -48.2958  111.9520   62.0107   85.7402
   38.2412   72.5262  -65.6775   68.2810   35.7797 -103.9636  154.8222  -88.4696
 -160.9112  114.0005   28.7776
  109.1805  171.2341  160.8283  116.1299  143.8130   86.3224  148.2324  116.4188
  138.6643    0.0000    0.0000  105.7930  115.4935  107.8588    0.0000   71.0718
  121.2212  108.3802   99.4619  115.7931
  -81.3171 -171.1057    2.5122 -110.0885 -148.2488  123.0065 -119.9524  -85.8581
  -15.3051    0.0000    0.0000 -114.3727  -80.9972  -84.5284    0.0000  -76.2432
 -130.0707 -109.2713 -106.5065  -76.5835
    7  -178.222 0
   93.6093   92.6775   92.2940   92.4291   91.5395   92.4512   91.8257   92.5537
  109.8031   94.7793  135.0826  117.7540  127.3225  126.1301  135.1983  127.3722
  117.1165  118.1777  118.9924  119.6573
   47.3665  165.1006   77.5517   41.6765   47.3911   49.9934   58.8555   78.1264
 -101.2828  153.1454  -60.1750 -137.7165 -145.8992 -151.0775 -101.9259  -92.5146
 -107.4254 -137.1748  129.6969
  143.5472  176.4849  176.4891  106.9068  123.4906  150.3363  155.0460  107.6363
  137.3052    0.0000    0.0000  123.5753  120.3954  148.4541    0.0000   95.4217
  125.2497  108.5690  124.3801  120.6971
 -129.6312 -147.5066 -110.8322  -60.0860  -60.2757  -31.8244 -174.6761  -98.5292
  -27.1617    0.0000    0.0000 -131.5595  -77.5800  -59.8036    0.0000  -60.5333
 -134.0865 -108.2493 -131.5988  -79.5971
    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  -148.131 0
   93.6117   92.6709   93.1544   93.1869   91.6250  109.9267   92.3069  123.4529
  120.8298  125.3480  130.4567  118.2308  127.1598  126.3618  126.1509  129.3257
  117.1445  118.0787  117.7455  121.5093
   47.1652  161.5155   77.3334   87.7965   -9.5608  170.9800   69.4996  179.7780
 -174.1771   16.9093  -39.0471 -138.7835 -150.3790 -167.6479  172.7444  -97.7705
 -108.4439 -119.0962 -115.7947
  143.7541  176.4800  176.5107  110.2192  125.7119  150.5701  125.7260  107.8055
  111.8163    0.0000    0.0000  122.0270  120.7902  148.8488    0.0000   99.3434
  125.3305  108.8079  124.6040  149.2533
 -130.0191 -160.9336  124.2334  -65.0386  -57.3423  -19.6417   66.5656 -121.9683
  -70.1140    0.0000    0.0000 -128.9885  -77.8408  -56.8539    0.0000  -58.2758
 -134.0894 -108.6412 -132.5599  -84.2392
   10  -143.904 0
   93.6493  119.2131  118.9544  122.1258   91.6679   92.9461   91.8366  111.1263
   94.8782  134.9582  128.6443  118.2920  127.2336  126.1267  135.1512  127.3319
  117.1133  118.0765  117.7497   94.5926
   11.8110 -108.6238  178.3875 -178.1248   65.4183   98.5977   60.6151  167.5695
  165.6917  -73.6223  -35.5920 -138.4074 -145.8221 -150.9648 -102.2951  -91.4881
 -108.7857 -118.3378 -109.9278
  109.2820  118.1703  172.8340  170.5048  138.1327  111.0844  135.8506  102.7309
  136.5131    0.0000    0.0000  122.1029  120.2314  148.8906    0.0000   94.2274
  125.2369  108.7187  124.4870  116.6606
  -81.1324  -78.4023  164.5555 -172.0999 -117.1458   91.0343  -92.1283 -115.9183
  -23.3263    0.0000    0.0000 -129.1086  -77.4404  -57.9681    0.0000  -61.1817
 -133.9722 -108.5205 -132.4982  -76.7443
   11  -175.472 0
   93.6473  118.0874  119.4901  122.1779   91.6138   93.0710   92.0682  115.7740
  120.4491  134.0450  132.5942  110.7548   91.4505   91.7800  109.4212  132.8546
  116.2829  118.2591  119.8976  119.6751
   99.6534 -179.0893  169.4055  -97.4790   51.1391   76.5799   71.1860  -84.6759
  173.7072  -73.8115  -37.5973  -30.5232   95.9979  -19.6085  -37.3080  -64.3073
 -106.0778 -135.4300  129.2119
  147.1593  154.4380  175.0280  164.2035  119.6577  149.2766  149.7306  112.4350
  115.7231    0.0000    0.0000  122.0764  113.3136  102.2045    0.0000   66.3190
  106.3530  118.6723  117.1142  120.6903
  -31.0728  -15.5581  166.0816 -139.2527  -94.4405  -17.7200 -110.3001 -123.4821
  -88.6015    0.0000    0.0000 -132.5547  -74.3588  -77.8449    0.0000  -68.8057
  -88.6796 -123.2063 -121.3863  -79.6442
   12  -142.852 0
  117.2026  121.4540   94.3052   92.9798   91.8047   93.5261   92.4657  127.6456
  120.4650  131.5363  129.5198  118.1831  127.1366   94.0103  132.7792  128.5430
  118.3010   93.2332  120.6709  121.6367
 -139.6916 -175.9485   80.3827   46.6496   46.2005   58.9779  -66.4368 -168.4890
  -75.7129  -75.6178  -34.4537 -140.3875 -164.3584   21.2797 -142.8375  -77.4760
 -155.8157  112.7049 -116.3790
  147.8574  175.3049  176.5045  118.6481  148.3969  126.7109  148.8358  120.6620
  145.3153    0.0000    0.0000  122.3890  130.1217  115.3391    0.0000  123.6665
  119.6481  105.8882  117.4859  121.4590
 -159.5094   -6.4614  134.4067  -63.9210 -162.8828 -103.6971  169.2743  115.3644
  -20.8184    0.0000    0.0000 -129.5139   -6.4927  -74.9595    0.0000 -131.2431
 -128.0456 -104.8986 -121.5386  -79.8685
   13  -141.295 0
   93.6487  117.7433  116.6632  122.6748  108.1702  121.7301  110.1004  125.6523
  121.1176   94.8654  132.9990  122.6652   92.3798   91.6388  127.0692  124.9839
  117.7954  118.0412  117.7979  121.4620
  100.3934  176.1722  169.5715  176.8826   80.7094  -53.4868 -164.2910 -165.1395
 -176.8123   75.9696  -90.5847   19.3879  -56.3103    1.6222  -22.1837  -75.5203
 -110.7800 -116.1964 -115.7796
  147.2560  145.9943  151.6409  146.3617  139.9081  165.3963  176.4300  127.6696
  142.6903    0.0000    0.0000  119.3994  109.0051  113.4057    0.0000  129.0118
  122.2280  112.6826  122.2051  149.2330
  -33.4241  -22.6445 -118.2358  -83.1286  -13.3862   23.0648 -159.2150 -140.9976
  -18.2883    0.0000    0.0000 -122.3230  -73.0772  -75.4743    0.0000   91.6189
 -133.2305 -113.5230 -128.1146  -82.3909
   14  -137.093 0
   93.6614  118.5429  116.4709  121.3054   91.6713   93.2862   92.3824  120.2053
  121.2262  125.4079   95.0628  120.7961  125.8528  126.0053  125.9729  128.8081
  120.1027  121.3186  118.5663   93.6150
   14.4386  179.5082  163.9966  -91.3079   48.7449   74.7720   74.0776 -102.1811
  -68.7693 -157.7493   71.2812  172.4688 -172.1520 -174.3221  170.9645 -108.3609
  130.7592 -173.7093  136.8058
  146.0507  170.3778  155.8244  144.9051  126.0431  144.8321  153.6748  117.3313
  145.7764    0.0000    0.0000  119.2891  120.2622  148.2181    0.0000  130.3423
  119.1974  116.9344  125.6038  116.1475
  -28.2462 -150.8561   22.3511 -162.4910  -79.4596  -31.4126 -113.8229 -118.9212
  -19.4286    0.0000    0.0000 -123.9921  -77.7063  -57.5763    0.0000  -44.1967
 -125.2247 -119.7371 -132.3889  -76.6209
   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  -148.727 0
  118.3477  122.7466  119.4479  121.4968   92.2971  122.0620  118.4598  126.0283
  121.6193  134.6725  130.8052  106.8792   92.4378   92.7831  112.0875  127.7906
  117.8286  118.2602  117.9531  121.6444
 -118.1625 -176.0131  171.2663 -179.5215  -42.7479 -159.7696 -176.8044  178.1355
  177.1983  -81.6874  -44.9011  -30.0570   97.0818   -6.1098 -125.6031  -77.4422
 -113.6115 -113.4574 -115.6482
  153.7167  154.6464  172.3688  164.3538  135.5793   98.8777  172.1722  107.7150
  117.7077    0.0000    0.0000  126.2094  121.0180  104.9716    0.0000   70.7073
  110.3474  121.3335  115.5483  121.3635
  -13.5746  -14.2456  176.5422 -122.7866 -111.1737  -83.6407  176.9143 -110.2973
  -74.5011    0.0000    0.0000 -140.8452  -16.0488  -77.0052    0.0000   80.9304
 -111.9112 -129.4438 -118.6656  -79.7089
   19  -135.821 0
  117.6979  124.5991  129.3850  122.1642   91.9291  113.7423   92.2891  124.7480
  118.4528  124.6567  134.5562  118.0746  126.8727  125.6721  126.1323  129.2999
  117.1525  118.0801  117.7528   94.5843
 -137.0006 -168.8629  -85.0693 -169.1529   68.7040  148.1238   93.1219  -93.4355
  -68.2936 -165.8121  -54.2918 -139.1404 -152.1360 -168.7682  172.3179  -98.4976
 -108.3854 -119.2538 -109.9598
  152.0607  176.4419  176.4403  130.5542  126.6147  151.1721  139.0828  125.4448
  144.4852    0.0000    0.0000  122.3509  131.5985  148.4381    0.0000   99.9057
  125.3090  108.8015  124.5931  116.5014
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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
  120.3958  119.0411  112.3571  118.6949
   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
  130.7382 -113.0870    6.4580
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  139.3425    0.0000    0.0000  121.0488  150.6350  147.4922    0.0000  135.0483
  118.6855  124.6331   98.5319  147.1959
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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
  117.1529  118.0928  117.7400  121.6172
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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  -134.102 0
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  120.0253  122.6314  134.6109  118.0303  127.2082  125.0127  124.1619  127.5391
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  -70.2572 -166.4990  -54.7194 -138.3898 -149.5441 -168.4413   29.8421  -78.2524
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   23  -148.077 0
   93.6072  118.1059  128.4710  125.7152  120.0702  120.5515  119.5454  128.7067
  118.5360  134.8168  119.7313  115.2454   92.9345   94.8525   96.4233  126.3253
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   -8.3855    0.0000    0.0000 -131.5719  -74.5469  -76.8687    0.0000  -45.1056
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   24  -156.136 0
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  110.2924  126.8963   95.1199  121.2747   93.9793  125.8912  123.7704  128.7272
  118.2658  108.3250   93.1401   93.3415
   47.9056   84.7398  132.1477  -97.1963   48.6259   64.9002   72.0396   96.1645
  -89.5337  -34.9149   79.1053  158.3923   96.0146 -105.5502 -175.0191  -74.9271
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   25  -152.549 0
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   97.1621   94.1185  134.7037   92.6516   93.3416   96.7070  120.0916  130.5544
  116.8666  118.0709  117.7250   94.5813
   31.7750  128.9882 -106.1300   89.7353   79.1384  -46.3100   93.0116   11.9740
  -97.5638  159.7912  -44.4044   58.7365   25.4717  -97.4717 -176.9939  -85.7367
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   26  -133.338 0
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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  -147.858 0
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   28  -138.269 0
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   93.6573  125.1138  134.4006  118.0065  126.8072  126.4781  125.4297  129.2014
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   25.4609 -165.1094  -56.2907 -137.6856 -143.3624  -98.0933 -172.7886  -89.3997
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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
  117.9568  118.1378  119.3269   93.3855
   16.8509 -179.3748 -103.8062  173.9133   74.9047  -63.8775 -158.9344 -106.4830
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  101.0628    0.0000    0.0000  122.3167  120.9371  134.3648    0.0000  122.2042
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   30  -144.357 0
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   31  -136.553 0
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   32  -141.531 0
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   95.3077  122.2734  134.4815  118.0171  126.7971  126.3018  125.3550  129.2123
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   33  -154.730 0
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   34  -131.156 0
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   35  -130.584 0
   93.6010   92.7761  125.3281  122.1068   91.9348  116.5850   92.3642   93.1419
   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  -151.679 0
   93.6076   92.8986  110.3457  125.1745  102.8101  110.6598   92.4340  127.7296
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  117.7763  118.0383  117.7911  121.4818
   44.3553  164.1242  147.5988  -67.4776  -12.5369  170.4479   83.8984  -96.6837
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   37  -130.264 0
   93.6331   92.4818   93.6060   92.3417   91.4401  106.1847   92.6633  129.0446
  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  -147.087 0
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   94.3953  134.7179   94.5050  116.3347   93.9762  127.2189  125.2932  129.7443
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   93.2430  122.1984   93.2064  118.3463
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