correction to 4P energy and csa examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa_569.int

    1  -171.924 0
   93.6161   92.6353   93.5863   92.4129   91.3277  104.1970   92.2305   93.1550
  118.1760  132.1065  129.5464  118.2703  127.0804  125.8323  134.9226  126.9357
  117.9851  118.0088  117.8164  121.5782
   39.7149  154.8542   95.1466   -0.7015  -87.2708  170.0395   79.4184   94.9981
 -114.8209  -74.4203  -35.4130 -138.6971 -146.9201 -150.9366 -103.5213  -85.2473
 -110.2300 -116.3102 -115.7584
  147.0182  142.1821  124.6788   80.2330  138.0392  150.2486  159.1121  118.6905
  143.9235    0.0000    0.0000  122.2358  132.0904  148.3985    0.0000  150.1812
  116.0593  113.5898  121.5219  121.3992
  -35.5775 -173.9898  -43.5938  -80.6773 -104.2921   20.5463  170.4302 -133.4270
  -17.3853    0.0000    0.0000 -129.2708  -21.1485  -53.6016    0.0000   59.1674
 -121.3207 -115.5187 -126.8478  -79.9684
    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  -157.911 0
   93.6146  118.8816  118.0176  123.2464   91.8963  113.5778   92.6018  127.3332
  126.0957  134.0323  131.6293  118.0793   93.4416  114.6719  115.1463  130.6210
  116.1505  117.9689   93.3433   93.3611
  105.3347 -179.6021  167.9134  170.3980   61.8205  149.3417   94.0858 -101.3908
  -76.4472 -164.2602  -62.4375  -81.1538   69.8090  -86.8162 -174.2367  -84.4278
 -104.4715 -136.9365   59.2405
  143.7239  151.1453  169.9524  164.1375  131.7241   99.4921  149.8524  132.4792
  105.8808    0.0000    0.0000  119.4293  112.8182  118.3554    0.0000   94.0300
  123.6201  111.1349   89.6316  129.5623
 -131.5159  -14.3209 -174.5732  -91.6569 -119.3213 -101.2922 -117.8659 -139.9168
  -74.6485    0.0000    0.0000 -125.6388  -74.4866  -79.6494    0.0000  -64.5591
 -132.5474 -111.3072 -101.9157 -136.4662
    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  -156.436 0
   93.6040   92.9266  127.7372  108.6937   91.9700   92.3235   92.4899   93.0627
   93.6964   94.0382  118.7339  118.8367   94.7446   94.8040   96.7612  131.1224
  119.0352  117.9148  117.8860  121.6237
   41.9229  -39.0894 -156.9773  -22.3697  -92.2479   58.9676   68.4210  157.9180
  -66.6505   38.2954  -90.0421   25.2456  -53.6019  -25.0283   88.9242 -105.6016
 -109.4017 -117.2186 -115.8187
  142.6524  138.6678  116.7235  125.5108  139.4138  155.4809  157.6206  107.6606
  102.5828    0.0000    0.0000  119.6863  140.8897  124.2284    0.0000  139.0391
  116.4217  117.9589  120.0682  121.5590
 -127.5924  -37.0583  -76.2766 -131.1768   68.1237   -5.4408 -112.1044 -134.1813
  -63.7660    0.0000    0.0000 -123.8504   38.2097  164.3038    0.0000  159.1591
 -122.1974 -122.1238 -124.1200  -79.9131
    6  -159.200 0
   93.6354  116.5820  114.6062  124.2652  115.4605   93.0993   91.9085   92.5451
   93.5339   95.6176  131.5564   92.5222   92.6265  105.7236   95.9210  128.3370
  117.4728   93.2106   93.1858   93.3434
  103.5346  168.5117  111.1176 -108.9413  -65.0785  144.5812   72.9286   94.7494
   37.5768   72.5541  -60.1330   69.1068   33.1551 -105.9642  154.7616  -88.2965
 -160.9283  113.9690   29.0207
  109.1460  166.3856  160.1473  114.8162  135.3061  113.0162  143.6230  135.5536
  138.8098    0.0000    0.0000  101.4852  105.8497  109.5684    0.0000   64.1391
  120.6507  109.2661   99.2420  115.7912
  -81.7918 -166.3197   -3.7819  -72.2989  -16.6256   88.0380 -109.2183 -101.1468
  -13.0126    0.0000    0.0000 -105.0848  -75.6295  -84.0418    0.0000  -80.3685
 -129.2510 -110.8896 -105.9088  -76.6320
    7  -161.748 0
   93.6102   92.6860   92.2963   92.4416   91.5489   92.4630   91.8398   92.5483
  109.9927   94.8078  135.1776  117.8790  127.3951  124.1479  127.9431  126.9957
  118.2230  120.4040  118.4327  119.9580
   47.3594  165.4105   77.4792   41.4370   47.8264   49.8789   58.9123   78.4028
 -100.7630  154.2547  -59.5643 -138.3961 -153.8144  -74.9530  -25.0733  -91.3958
  131.7046 -175.7132  143.1930
  143.8242  176.4827  176.4860  106.8192  123.5254  150.2398  155.0856  107.6917
  137.3459    0.0000    0.0000  123.6687  120.4547  146.9787    0.0000  120.6220
  118.9352  118.1491  126.6087  120.8008
 -129.5737 -147.3873 -111.3462  -59.9557  -60.1564  -31.9632 -172.0599  -98.5114
  -27.0509    0.0000    0.0000 -131.5340  -77.6067  -55.7754    0.0000  -56.8654
 -126.0800 -122.1411 -133.8143  -79.5288
    8  -147.883 0
   93.6603   92.5673  119.2968  119.6847   91.7123  127.5680   92.4468  129.8934
  121.5730  134.8794  132.6598   92.5936   92.8357   93.4620   94.9366  120.7283
  117.5811  117.9027  117.6129  118.9345
   44.6761  150.5170  106.3864 -115.2722   67.3061    7.0996   84.6558  -79.1405
 -171.8007  -70.6034  -42.5062   63.6197   53.0304   53.9651   67.0016  -86.2455
 -107.3542 -139.3230   -1.4202
  146.5418  125.1773  165.3764  116.0015  128.2724  161.0137  137.9247  139.4781
  112.5696    0.0000    0.0000  101.2820  107.4125  110.0656    0.0000  118.9381
  122.2986  111.7231  129.9360  120.7583
  -28.1777  -87.9987    3.3008  -67.6694 -130.2516  126.3722 -110.0455 -162.0116
  -69.2427    0.0000    0.0000 -106.5052  -75.1070  -81.4164    0.0000  -49.8102
 -129.0836 -112.6060 -140.5640  -79.3873
    9  -148.128 0
   93.6032   92.6741   93.1442   93.1848   91.6258  109.7712   92.3087  123.3232
  120.7827  125.3709  130.3804  118.2147  127.1363  126.4446  126.0996  129.3390
  117.1416  118.0654  117.7486  121.3950
   47.2692  161.3990   77.2346   87.9714   -9.8025  171.0630   69.4310  179.1979
 -174.5596   16.6916  -38.9475 -138.6914 -150.7708 -167.8614  172.7208  -97.4124
 -108.4968 -118.7478 -115.7982
  143.8025  176.4826  176.5018  110.1044  125.6030  150.6377  125.5072  107.7235
  111.7931    0.0000    0.0000  122.1291  120.6207  148.8715    0.0000   99.1552
  125.3188  108.0643  124.4828  149.2573
 -130.0342 -160.8757  123.0497  -64.8848  -57.0480  -19.5572   66.2911 -121.9565
  -70.0554    0.0000    0.0000 -129.1926  -77.7255  -56.9460    0.0000  -58.4831
 -134.0444 -107.9310 -132.5449  -84.2663
   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  -142.789 0
   93.6569  114.5663  119.3641  117.3283   91.7576  111.4816   92.3505  126.3857
  122.1116  134.6866  130.6132  116.0085   92.8682  115.1760  123.0134  126.7456
  117.1387  118.1515  118.7811   93.5034
  107.2668  162.6519   35.7776 -107.3898   50.3673  149.0968   96.9003 -101.7700
 -174.3762  -73.1375  -58.7912  -78.0285   57.9833  -77.8625  -20.7012  -84.4098
 -107.8819 -133.5174  120.5385
  146.6883  148.3794  140.4585  115.3552  126.8909  149.5155  163.3364  125.0201
  145.7733    0.0000    0.0000  116.6776  112.4001  118.3043    0.0000   88.4897
  134.0946  108.3634  124.8243  116.0405
  -28.6090  -13.5765  115.5586  -58.8369 -104.3902   -5.1358 -161.2233 -128.2644
  -18.3369    0.0000    0.0000 -124.2710  -74.3453  -79.7137    0.0000  -64.0438
 -148.3868 -107.8774 -132.2261  -76.6059
   12  -142.775 0
  117.3257  121.4425   94.3107   92.9656   91.7942   93.5516   92.5517  127.1832
  120.2709  131.1047  129.6664  118.1809  127.0893   94.0130  133.0123  128.5366
  118.2760   93.2338  120.6541  121.6931
 -138.9231 -175.5825   79.8369   46.0462   46.9217   55.4209  -74.0230 -169.1325
  -75.7851  -76.2417  -35.0012 -140.2183 -164.6055   20.7414 -142.0847  -77.3445
 -155.6943  112.6896 -116.3718
  148.3602  175.3202  176.5064  118.1684  148.7348  128.3934  149.5291  126.3588
  108.6723    0.0000    0.0000  122.3154  130.3392  115.3649    0.0000  123.6528
  119.9854  105.9591  117.4626  121.4485
 -159.6739   -6.4767  134.5723  -63.5385 -159.8317 -101.4523  177.0682  119.7551
  -73.6152    0.0000    0.0000 -129.4233   -6.6740  -75.0979    0.0000 -131.4935
 -128.4876 -104.7151 -121.5425  -79.8850
   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  -138.019 0
  117.7186  123.4150  123.9382   95.0323   91.0769   94.7287  108.9122   93.4229
  121.2356  131.9440  130.3574  111.1103  124.0666  126.3168  134.5898  127.3107
  117.1100  118.0771  117.7565  121.6237
 -136.8575  -81.3129  170.8838   97.3360   -5.5950  -82.1418  175.5516   95.6071
 -117.8310  -80.6910  -71.0139   25.0886  -89.0056 -159.1187 -104.7869  -90.6091
 -108.8528 -118.2412 -115.8155
  152.6230  150.7368  148.9646  169.9991  149.5703  139.8918  150.0528  114.7541
  113.6659    0.0000    0.0000   98.1495  118.5906  148.4688    0.0000   93.5544
  125.3180  108.7320  124.5871  121.4804
 -153.6196   -3.4870  124.6483  134.6503 -109.2734   41.2959  -87.9206 -146.1881
  -64.4970    0.0000    0.0000  -94.2115  -77.1352  -61.1463    0.0000  -61.5664
 -134.0714 -108.5360 -132.6305  -79.8426
   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
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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  -133.957 0
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  118.6588  130.7554  129.5307  118.1891  126.5561   94.0541  130.1092  129.1021
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   22  -134.102 0
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   23  -142.884 0
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   24  -148.241 0
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  110.2966  126.8752   95.1174  121.2481   93.9761  125.8549  123.7958  128.6991
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   47.6780   84.8026  132.1576  -97.0831   48.5953   65.0504   72.1072   96.1256
  -89.5561  -34.9810   79.0338  158.3893   96.0734 -105.5515 -175.0021  -75.0577
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   25  -151.377 0
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   95.8939   93.7665  134.9701   92.9424   93.4681   96.2695  118.0114  131.3181
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   26  -133.338 0
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   27  -132.848 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
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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  -144.357 0
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   31  -132.816 0
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   98.0377    0.0000    0.0000   98.4012  119.2777  121.5963    0.0000   93.3582
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   32  -136.615 0
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   95.3141  122.2473  134.4605  118.0254  126.8112  126.2777  125.3146  129.1740
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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  -151.679 0
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   44.3553  164.1242  147.5988  -67.4776  -12.5369  170.4479   83.8984  -96.6837
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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
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   38  -144.597 0
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   94.4054  134.3185   94.4471  116.3386   93.9838  127.2769  125.4995  129.7562
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