* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    218    330     653
    1     0 S   NP   _N1_     1    28.50209    97.98124   -18.91844
    2     1 S   H    _HN1     2     1.02773    81.28889   -98.06954
    3     1 S   H    _H1_     3     1.02960    72.19277    14.48215
    4     1 S   H    _H2_     4     1.02834    54.11202   142.26727
    5     1 S   CT   _CA1     5     1.50127   163.41032   116.15734
    6     5 S   HC   _HA1     6     1.09581   105.21533    81.52683
    7     5 S   CO3  _C1_     7     1.53766   112.32507   -38.58573
    8     7 S   O2Z  _O11     8     1.26350   114.98562   -45.03637
    9     7 S   O2Z  _O12     9     1.26233   114.89725   134.01546
   10     5 S   CT   _CB1    10     1.53095   107.40546  -160.67411
   11    10 S   HC   HB11    11     1.09822   109.24322   -51.56663
   12    10 S   HC   HB12    12     1.09816   110.47208    64.96725
   13    10 S   CT   _CG1    13     1.52984   112.65886  -172.71697
   14    13 S   HC   HG11    14     1.09622   110.37182   -64.74396
   15    13 S   HC   HG12    15     1.09656   110.00278    54.40384
   16    13 S   C    _CD1    16     1.51865   112.39150   174.65097
   17    16 S   O    _OE1    17     1.22735   123.33655    -3.93273
   18    16 S   N    _N2_    18     1.38461   111.57153   176.25786
   19    18 S   H    _HN2    19     1.01585   118.91984     4.14213
   20    18 S   CT1  _CA2    20     1.45963   123.31118   178.51958
   21    20 S   HC   _HA2    21     1.09711   109.18003    19.00162
   22    20 S   C    _C2_    22     1.52838   106.92652   -98.23031
   23    22 S   O    _O2_    23     1.22988   123.01524   -27.09675
   24    20 S   CT   _CB2    32     1.53198   111.57110   142.22355
   25    24 S   HC   HB21    33     1.09002   109.07633    53.24460
   26    24 S   HC   HB22    34     1.09455   110.65627   172.12147
   27    22 S   N    _N3_    24     1.38489   112.59217   155.64516
   28    27 S   H    _HN3    25     1.01665   120.35328    -1.92559
   29    24 S   S    _SG2    35     1.82293   110.46781   -67.66857
   30    27 S   CT   _CA3    26     1.45346   122.43153   178.50198
   31    30 S   HC   HA31    27     1.09574   107.66348   -58.00641
   32    30 S   HC   HA32    28     1.09565   107.73406    58.29448
   33    29 S   CT   _C7_    36     1.93413   102.09293   157.01612
   34    30 S   CO3  _C3_    29     1.52880   114.38153  -179.93439
   35    34 S   O2Z  _O31    30     1.26324   116.08811    -3.88590
   36    34 S   O2Z  _O32    31     1.26443   114.40000   176.17331
   37    33 S   CO4  _C8_    37     1.57030   103.56515   -68.57295
   38    37 S   O    _O33    38     1.23908   120.12574   -45.08551
   39    33 S   CT   _C6_    60     1.58004   102.08970   176.99658
   40    39 S   HC   _H19    61     1.09789   108.17839    42.16546
   41    39 S   HC   _H20    62     1.09958   108.10811   -69.82042
   42    33 S   CT   _C29   112     1.57999   109.47771    54.47058
   43    42 S   OM   _O42   113     1.32662   111.09801    59.12072
   44    42 S   HC   _H45   114     1.10032   105.84666   -68.94326
   45    42 S   HC   _H46   115     1.09585   106.51841  -174.12958
   46    37 S   CT   _C9_    39     1.54866   121.26192   135.21731
   47    46 S   HC   _H4_    40     1.08665   108.19633    18.31147
   48    46 S   CT   _C10    41     1.55319   110.10045   135.34594
   49    48 S   HC   _H5_    42     1.09105   107.47539   -47.66298
   50    46 S   CT   _C28   108     1.52691   110.06198  -100.67471
   51    50 S   HC   _H42   109     1.09526   111.71484   -52.11996
   52    50 S   HC   _H43   110     1.09388   111.57153  -173.50230
   53    50 S   HC   _H44   111     1.09344   110.87110    67.70747
   54    48 S   CT   _C11    43     1.56137   116.85021  -169.28766
   55    54 S   HC   _H6_    44     1.09774   108.56641   -68.91472
   56    48 S   OH   _O41   106     1.43211   109.94375    68.51398
   57    56 S   HO   _H41   107     0.97423   107.55785   -56.87795
   58    54 S   CT   _C12    45     1.56352   109.87092   174.91774
   59    58 S   HC   _H7_    46     1.09727   108.59633    56.40688
   60    54 S   CT   _C27   102     1.53416   111.75122    50.39402
   61    60 S   HC   _H38   103     1.09464   111.47617    56.68613
   62    60 S   HC   _H39   104     1.09401   111.28582   -64.32561
   63    60 S   HC   _H40   105     1.09364   111.63494   177.70902
   64    58 S   OS   _O34    47     1.44403   107.66528   -61.98344
   65    58 S   CT   _C26    98     1.52574   113.75659   176.99802
   66    65 S   HC   _H35    99     1.09444   111.82687    71.05463
   67    65 S   HC   _H36   100     1.09393   111.34175   -51.62220
   68    65 S   HC   _H37   101     1.09552   110.16175  -171.50065
   69    64 S   CO4  _C13    48     1.36678   118.77489   148.71542
   70    69 S   O    _O35    49     1.22167   126.29119    12.54931
   71    69 S   CT   _C14    50     1.52318   107.98847  -163.76070
   72    71 S   HC   _H8_    51     1.09905   104.73065   -43.10435
   73    71 S   CT   _C15    52     1.56297   107.43113    73.95983
   74    73 S   HC   _H9_    53     1.09670   108.79515    -2.18839
   75    71 S   CT   _C25    94     1.52535   111.93492  -156.82633
   76    75 S   HC   _H32    95     1.09257   113.06951   -55.00209
   77    75 S   HC   _H33    96     1.09445   111.02735  -177.38267
   78    75 S   HC   _H34    97     1.09626   109.93958    63.59390
   79    73 S   CT   _C16    54     1.56645   109.92704  -117.89523
   80    79 S   HC   _H10    55     1.09531   105.30010    45.08476
   81    73 S   OS   _O37    73     1.42936   113.84105   117.06379
   82    79 S   CT   _C17    56     1.55414   111.45020   161.16666
   83    82 S   HC   _H11    57     1.09061   108.05516   -35.96085
   84    79 S   CT   _C18    69     1.53417   111.95753   -72.43705
   85    84 S   HC   _H22    70     1.09471   112.02858   -59.28817
   86    84 S   HC   _H23    71     1.09451   111.00976  -179.86438
   87    84 S   HC   _H24    72     1.09437   111.04378    60.98329
   88    81 S   CO   _C19    74     1.43565   113.97538   -81.22470
   89    88 S   HC   _H12    75     1.09288   109.30602    47.50600
   90    82 S   CT   _C5_    58     1.56156   116.47340  -158.73372
   91    90 S   HC   _H3_    59     1.10099   105.24639   -85.13213
   92    82 S   OH   _O36    67     1.43294   108.30151    78.89465
   93    92 S   HO   _H21    68     0.97091   108.30906  -169.64807
   94    88 S   CT   _C20    76     1.52542   108.66800   164.74996
   95    94 S   HC   _H25    77     1.09656   110.82535   -50.81271
   96    94 S   HC   _H26    78     1.09781   109.62609  -168.41568
   97    90 S   CT   _C4_    63     1.52349   115.50339    30.68961
   98    97 S   HC   _H16    64     1.09088   111.98060    56.27375
   99    97 S   HC   _H17    65     1.09483   111.13057   -64.18945
  100    97 S   HC   _H18    66     1.09394   110.91955   178.58750
  101    94 S   CT   _C21    79     1.52469   111.22759    71.30474
  102   101 S   HC   _H13    80     1.09664   110.89305   -68.99410
  103   101 S   CT   _C22    81     1.52995   110.14261    53.26705
  104   103 S   HC   _H14    82     1.09701   109.02953    70.00468
  105   101 S   OH   _O40    92     1.42637   109.21503   173.17005
  106   105 S   HO   _H31    93     0.97235   107.49972    60.31092
  107   103 S   CT   _C23    83     1.53325   110.74916   -51.57155
  108   107 S   HC   _H15    84     1.09183   109.94412   -68.27464
  109   103 S   OH   _O39    90     1.42732   109.65110  -173.18416
  110   109 S   HO   _H30    91     0.97231   107.98236    59.77628
  111    88 S   OS   _O38    85     1.43062   114.58563   -71.05190
  112   107 S   CT   _C24    86     1.52586   111.50983   173.09777
  113   112 S   HC   _H27    87     1.09551   110.81469   -60.58918
  114   112 S   HC   _H28    88     1.09521   110.39024  -178.41366
  115   112 S   HC   _H29    89     1.09396   111.70595    60.83316
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  19   6  17   6   5   5   2   1   1  13   8  17
   7   5   2   1   1  15   9   3   1  13   7   5   2   1   1  10
   4   2   1   1  11   4  13   8  20   7   5   2   1   1  14   9
  10  13   6   5   2   1   1  12   6   7   5   2   1  11   6   5
   3   2   1   1  11   6  12   7   3   1   8   6   3   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    90    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    82    90    91    39    40    41    97    50    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    49    54    90    39    40    41    56    50    51    52    53    42    43    44    45  
   46    47    48    39    50    42  
   40    41    97    98    99   100    92    42    43    44    45    46    79    82    83    90    91  
   41    97    42    82    90    91  
   97    42    82    90    91  
   43    44    45    46    90  
   44    45  
   45  
    0  
   47    48    49    54    55    58    60    56    57    50    51    52    53  
   48    49    54    56    50    51    52    53  
   49    54    55    58    59    64    65    60    61    62    63    56    57    50    51    52    53  
   54    55    58    60    56    57    50  
   51    52    53    54    56  
   52    53  
   53  
    0  
   55    58    59    64    69    65    66    67    68    60    61    62    63    56    57  
   58    59    64    65    60    61    62    63    56  
   57    58    60  
    0  
   59    64    69    70    71    65    66    67    68    60    61    62    63  
   64    69    65    66    67    68    60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   69    70    71    72    73    75    65    66    67    68  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    79    81    75    76    77    78  
   71    72    73    75  
   72    73    74    79    80    82    84    81    88    75    76    77    78  
   73    74    79    81    75    76    77    78  
   74    79    80    82    83    90    92    84    85    86    87    81    88    89    94   111    75    76    77    78  
   79    80    82    84    81    88    75  
   76    77    78    79    81  
   77    78  
   78  
    0  
   80    82    83    90    91    97    92    93    84    85    86    87    81    88  
   82    83    90    92    84    85    86    87    81  
   88    89    94    95    96   101   107   111    82    84  
   83    90    91    97    98    99   100    92    93    84    85    86    87  
   90    91    97    92    93    84  
   85    86    87    90    92  
   86    87  
   87  
    0  
   89    94    95    96   101   102   103   107   108   111   112   105  
   94    95    96   101   107   111  
   91    97    98    99   100    92    93  
   97    98    99   100    92  
   93    97  
    0  
   95    96   101   102   103   104   107   111   109   105   106  
   96   101   102   103   111   105  
  101   102   103   111   105  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   107   108   111   112   109   110   105   106  
  103   104   107   109   105   106  
  104   107   108   111   112   113   114   115   109   110   105   106  
  107   108   111   112   109   110   105  
  106   107   109  
    0  
  108   111   112   113   114   115   109   110  
  111   112   113   114   115   109  
  110   111   112  
    0  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  107   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  111   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    64   320.000  1.410
   58    65   268.000  1.529
   64    69   214.000  1.327
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    82   268.000  1.529
   79    84   268.000  1.529
   82    83   340.000  1.090
   82    90   268.000  1.529
   82    92   320.000  1.410
   90    91   340.000  1.090
   90    39   268.000  1.529
   90    97   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   92    93   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   81    88   320.000  1.380
   88    89   340.000  1.090
   88    94   250.000  1.527
   88   111   320.000  1.380
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   105   320.000  1.410
  103   104   340.000  1.090
  103   107   268.000  1.529
  103   109   320.000  1.410
  107   108   340.000  1.090
  107   111   320.000  1.410
  107   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  109   110   553.000  0.945
  105   106   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    46    70.00000  116.00000
   33    39    90    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    35.00000  109.50000
   37    46    48    63.00000  111.10000
   37    46    50    63.00000  111.10000
   46    37    38    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    60    58.35000  112.70000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    64    50.00000  109.50000
   54    58    65    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    64    69    83.00000  116.90000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   64    58    59    35.00000  109.50000
   64    69    70    83.00000  123.40000
   64    69    71    81.00000  111.40000
   69    71    72    35.00000  109.50000
   69    71    73    63.00000  111.10000
   69    71    75    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    73    74    37.50000  110.70000
   71    73    79    58.35000  112.70000
   71    73    81    50.00000  109.50000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    82    58.35000  112.70000
   73    79    84    58.35000  112.70000
   73    81    88    60.00000  109.50000
   79    73    74    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    90    58.35000  112.70000
   79    82    92    50.00000  109.50000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   82    79    80    37.50000  110.70000
   82    90    91    37.50000  110.70000
   82    90    39    58.35000  112.70000
   82    90    97    58.35000  112.70000
   82    92    93    55.00000  108.50000
   90    82    83    37.50000  110.70000
   90    39    40    37.50000  110.70000
   90    39    41    37.50000  110.70000
   90    97    98    37.50000  110.70000
   90    97    99    37.50000  110.70000
   90    97   100    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    90    91    37.50000  110.70000
   41    39    40    33.00000  107.80000
   97    90    91    37.50000  110.70000
   97    90    39    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   92    82    83    35.00000  109.50000
   92    82    90    50.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    82    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   81    88    89    35.00000  109.50000
   81    88    94    90.00000  108.56700
   81    88   111    92.60000  111.55000
   88    94    95    45.00000  108.72000
   88    94    96    45.00000  108.72000
   88    94   101    75.00000  109.43000
   88   111   107    60.00000  109.50000
   94    88    89    45.00000  112.01100
   94   101   102    37.50000  110.70000
   94   101   103    58.35000  112.70000
   94   101   105    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   107    58.35000  112.70000
  101   103   109    50.00000  109.50000
  101   105   106    55.00000  108.50000
  103   101   102    37.50000  110.70000
  103   107   108    37.50000  110.70000
  103   107   111    50.00000  109.50000
  103   107   112    58.35000  112.70000
  103   109   110    55.00000  108.50000
  107   103   104    37.50000  110.70000
  107   112   113    37.50000  110.70000
  107   112   114    37.50000  110.70000
  107   112   115    37.50000  110.70000
  111    88    89    35.00000  109.50000
  111    88    94    90.00000  108.56700
  111   107   108    35.00000  109.50000
  112   107   108    37.50000  110.70000
  112   107   111    50.00000  109.50000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  109   103   104    35.00000  109.50000
  109   103   107    50.00000  109.50000
  105   101   102    35.00000  109.50000
  105   101   103    50.00000  109.50000
   75    71    72    37.50000  110.70000
   75    71    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    64    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    46    48    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   44    42    43    45.00000  125.66300
   45    42    43    45.00000  125.66300
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
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   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101   105   0.23400  1.0 3.0
  101   103   107   108   0.15000  1.0 3.0
  101   103   107   111   0.62750  1.0 1.0
  101   103   107   111  -0.30950 -1.0 2.0
  101   103   107   111   0.27300  1.0 3.0
  101   103   107   112   0.56750  1.0 1.0
  101   103   107   112  -0.07550 -1.0 2.0
  101   103   107   112   0.20000  1.0 3.0
  101   103   109   110  -0.11600  1.0 1.0
  101   103   109   110  -0.09450 -1.0 2.0
  101   103   109   110   0.21250  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   107   0.15000  1.0 3.0
  102   101   103   109   0.23400  1.0 3.0
  102   101   105   106   0.19450  1.0 3.0
  103   101   105   106  -0.11600  1.0 1.0
  103   101   105   106  -0.09450 -1.0 2.0
  103   101   105   106   0.21250  1.0 3.0
  103   107  -111    88   0.06250  1.0 1.0
  103   107  -111    88  -0.01100 -1.0 2.0
  103   107  -111    88   0.28050  1.0 3.0
  103   107   112   113   0.15000  1.0 3.0
  103   107   112   114   0.15000  1.0 3.0
  103   107   112   115   0.15000  1.0 3.0
  104   103   107   108   0.15000  1.0 3.0
  104   103   107   111   0.23400  1.0 3.0
  104   103   107   112   0.15000  1.0 3.0
  104   103   109   110   0.19450  1.0 3.0
  107   103   109   110  -0.11600  1.0 1.0
  107   103   109   110  -0.09450 -1.0 2.0
  107   103   109   110   0.21250  1.0 3.0
  108   107   111    88   0.37050  1.0 3.0
  108   107   112   113   0.15000  1.0 3.0
  108   107   112   114   0.15000  1.0 3.0
  108   107   112   115   0.15000  1.0 3.0
  111    88    94    95   0.23400  1.0 3.0
  111    88    94    96   0.23400  1.0 3.0
  111    88   -94   101   0.62750  1.0 1.0
  111    88   -94   101  -0.30950 -1.0 2.0
  111    88   -94   101   0.27300  1.0 3.0
  111   107   112   113   0.23400  1.0 3.0
  111   107   112   114   0.23400  1.0 3.0
  111   107   112   115   0.23400  1.0 3.0
  112   107   111    88   0.06250  1.0 1.0
  112   107   111    88  -0.01100 -1.0 2.0
  112   107   111    88   0.28050  1.0 3.0
  109   103   107   108   0.23400  1.0 3.0
  109   103   107   111   3.69350  1.0 1.0
  109   103   107   111  -1.82950 -1.0 2.0
  109   103   107   112   0.86500  1.0 1.0
  109   103   107   112  -0.17500 -1.0 2.0
  109   103   107   112   0.20800  1.0 3.0
  105   101   103   104   0.23400  1.0 3.0
  105   101   103   107   0.86500  1.0 1.0
  105   101   103   107  -0.17500 -1.0 2.0
  105   101   103   107   0.20800  1.0 3.0
  105   101   103   109   3.75450  1.0 1.0
   75    71    73    74   0.15000  1.0 3.0
   75    71    73    79   0.56750  1.0 1.0
   75    71    73    79  -0.07550 -1.0 2.0
   75    71    73    79   0.20000  1.0 3.0
   75    71    73    81   0.62750  1.0 1.0
   75    71    73    81  -0.30950 -1.0 2.0
   75    71    73    81   0.27300  1.0 3.0
   65    58    64    69  -0.25900  1.0 1.0
   65    58    64    69  -0.47000 -1.0 2.0
   65    58    64    69   0.11750  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    64   0.62750  1.0 1.0
   60    54    58    64  -0.30950 -1.0 2.0
   60    54    58    64   0.27300  1.0 3.0
   60    54    58    65   0.56750  1.0 1.0
   60    54    58    65  -0.07550 -1.0 2.0
   60    54    58    65   0.20000  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    60   0.86500  1.0 1.0
   56    48    54    60  -0.17500 -1.0 2.0
   56    48    54    60   0.20800  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   0.20800  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    46   0.60050  1.0 1.0
   42    33    37    46   0.05600 -1.0 2.0
   42    33    37    46   0.26150  1.0 3.0
   42    33    39    90   0.56750  1.0 1.0
   42    33    39    90  -0.07550 -1.0 2.0
   42    33    39    90   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    46    37    38  10.50000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
END
