* LIGAND DATABASE FILE (OPLS2005)
*
001     112   116    211    316     598
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02014   106.23364    -5.65104
    3     1 S   H    _H1_     3     1.02056    50.92761    95.55500
    4     1 S   H    _H2_     4     1.02097    61.36652  -108.43282
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C25    36     1.84641    96.94069  -178.15453
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C4T  _C17    37     1.53188   109.33257   179.98022
   38    37 S   Cl   Cl1_    38     1.91942   106.43253    50.45254
   39    33 S   OS   _O38    64     1.44409   111.56057    54.29339
   40    33 S   OH   _O39   111     1.42946   107.61749   -64.68712
   41    40 S   HO   _H19   112     0.96862   106.22962  -177.13194
   42    37 S   C4T  _C16    39     1.57158   123.27288   179.25770
   43    37 S   C4T  _C18    54     1.55063   113.54190   -76.20227
   44    42 S   CA   _C11    40     1.56988   122.81097    20.68440
   45    42 S   C4T  _C15    52     1.55199    87.34890   137.86476
   46    45 S   Cl   Cl2_    53     1.88546   113.68751    95.88319
   47    43 S   CA   _C19    55     1.57564   113.29513   -24.64188
   48    43 S   CT   _C30    84     1.52523   113.96022    97.90511
   49    48 S   HC   _H30    85     1.08927   109.92438    54.00549
   50    48 S   HC   _H31    86     1.08944   109.90040   -65.95041
   51    48 S   HC   _H32    87     1.08969   109.92737   174.04853
   52    42 S   CT   _C31   107     1.52934   114.45699  -107.55155
   53    52 S   HC   _H33   108     1.08773   109.74962   -42.96590
   54    52 S   HC   _H34   109     1.08845   109.70069  -162.95036
   55    52 S   HC   _H35   110     1.08854   109.73430    77.08075
   56    44 S   CA   _C10    41     1.40679   123.29482   -70.55585
   57    56 S   HA   _H14    42     1.08732   119.68808    -0.39762
   58    47 S   CA   _C20    56     1.40666   122.73936  -178.83618
   59    58 S   HA   _H16    57     1.08779   119.68522    -0.99780
   60    56 S   CA   _C9_    43     1.39920   122.04790   179.57572
   61    60 S   HA   _H13    44     1.08663   119.44988  -179.38706
   62    58 S   CA   _C21    58     1.39661   121.67234   177.81824
   63    62 S   HA   _H17    59     1.08679   119.60539  -179.39932
   64    60 S   CA   _C8_    45     1.39110   120.15054     0.87178
   65    62 S   CA   _C22    60     1.39122   120.01641    -0.02798
   66    64 S   CA   _C13    46     1.38900   119.61259     0.68471
   67    66 S   HA   _H15    47     1.08645   120.32683   178.75432
   68    65 S   CA   _C23    61     1.39116   119.73407     0.66086
   69    68 S   HA   _H18    62     1.08767   119.97880   179.68472
   70    65 S   OS   _O40    65     1.36004   120.12835  -179.35623
   71    64 S   OS   _O35    88     1.35995   120.12703   179.95577
   72    44 S   CA   _C12    48     1.40283   120.94065   111.32805
   73    47 S   CA   _C24    63     1.40721   120.33039     0.45456
   74    70 S   P1   _P2_    66     1.62603   126.70054   150.03161
   75    74 S   ST   _S2_    67     1.94975   116.87640   -53.14194
   76    71 S   P1   _P1_    89     1.62636   126.76752    29.97357
   77    76 S   ST   _S1_    90     1.95021   116.83969    46.88001
   78    72 S   OS   _O36    49     1.41980   121.38888     2.27692
   79    74 S   OS   _O41    68     1.62941   101.25385   179.97202
   80    74 S   OS   _O42    76     1.62707   101.96775    76.14516
   81    76 S   OS   _O33    91     1.62858   101.30216   -79.98814
   82    76 S   OS   _O34    99     1.62652   101.95390   176.11048
   83    78 S   CO4  _C14    50     1.40715   125.50956    -4.33865
   84    83 S   O    _O37    51     1.23267   119.36512   175.83026
   85    79 S   CT   _C26    69     1.41803   119.83069    60.00735
   86    85 S   HC   _H20    70     1.09344   108.78305   -59.39775
   87    85 S   HC   _H21    71     1.09462   108.78961    59.32869
   88    80 S   CT   _C28    77     1.41710   119.81676   160.00890
   89    88 S   HC   _H25    78     1.09467   108.78227   -59.44017
   90    88 S   HC   _H26    79     1.09418   108.82567    59.33028
   91    81 S   CT   _C5_    92     1.41782   119.88084  -160.02985
   92    91 S   HC   _H6_    93     1.09452   108.74557   -59.34204
   93    91 S   HC   _H7_    94     1.09382   108.76713    59.35113
   94    82 S   CT   _C6_   100     1.41702   119.83142   -59.97522
   95    94 S   HC   _H8_   101     1.09441   108.77893   -59.42998
   96    94 S   HC   _H9_   102     1.09406   108.80260    59.36209
   97    85 S   CT   _C27    72     1.51366   109.01625   179.96044
   98    97 S   HC   _H22    73     1.09324   110.86916   -60.44708
   99    97 S   HC   _H23    74     1.09539   110.59681    60.40018
  100    97 S   HC   _H24    75     1.09466   110.64172   178.70593
  101    88 S   CT   _C29    80     1.51423   109.02699   179.96574
  102   101 S   HC   _H27    81     1.09363   110.89156   -60.42995
  103   101 S   HC   _H28    82     1.09583   110.61905    60.38211
  104   101 S   HC   _H29    83     1.09494   110.66162   178.64217
  105    91 S   CT   _C4_    95     1.51285   109.04750  -180.00000
  106   105 S   HC   _H3_    96     1.09389   110.89722   -60.42706
  107   105 S   HC   _H4_    97     1.09584   110.65922    60.40838
  108   105 S   HC   _H5_    98     1.09492   110.65954   178.67013
  109    94 S   CT   _C7_   103     1.51446   109.03781  -179.98022
  110   109 S   HC   _H10   104     1.09293   110.85537   -60.49136
  111   109 S   HC   _H11   105     1.09477   110.60663    60.42397
  112   109 S   HC   _H12   106     1.09461   110.59209   178.69374
  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   9   5   4   3
  14   2   1   1  23   9  10   4   1  18  17  16  17   6  13   6
   2   1   1   6   2   1   1   8   4   7   4   7   3   7   3   9
   8   6   3   4   2   7   7   3   1  11   4  11   4   2   9   8
   9   8   1   1   6   5   4   6   5   4   6   5   4   6   5   4
   3   2   1   1   3   2   1   1   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    73    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    44    45    43    47    68    73    39    48    52    40    41  
   35    36  
   36  
    0  
   38    42    44    56    72    83    45    46    43    47    58    73    39    48    49    50    51    52    53    54    55    40    41  
   42    44    45    43    47    39    48    52    40  
   40    41    42    43    47    58    65    68    69    73  
   41    42    43    73  
    0  
   44    56    57    60    66    72    78    83    84    45    46    43    47    48    52    53    54    55  
   47    58    59    62    68    73    48    49    50    51    52    44    45    46    78    83    84  
   56    57    60    61    64    66    67    72    78    83    45    46    52    53    54    55  
   46    47    58    73    48    49    50    51    52    53    54    55    56    72    78    83    84  
   47    48    52    78    83    84  
   58    59    62    63    65    68    69    73    48    49    50    51    83  
   49    50    51    58    73    83  
   50    51  
   51  
    0  
   53    54    55    56    72    83  
   54    55  
   55  
    0  
   57    60    61    64    66    72    78    71  
   60    61    64    72  
   59    62    63    65    68    73    70  
   62    63    65    73  
   61    64    66    67    72    71    76  
   64    66    71  
   63    65    68    69    73    70    74  
   65    68    70  
   66    67    72    78    71    76    77    81    82  
   68    69    73    70    74    75    79    80  
   67    72    78    83    71    76  
   72    78    71  
   69    73    70    74  
   73    70  
   74    75    79    85    80    88    73  
   76    77    81    91    82    94    72  
   78    83    84  
    0  
   75    79    85    86    87    97    80    88    89    90   101  
   79    85    80    88  
   77    81    91    92    93   105    82    94    95    96   109  
   81    91    82    94  
   83    84  
   85    86    87    97    98    99   100    80    88  
   88    89    90   101   102   103   104    85  
   91    92    93   105   106   107   108    82    94  
   94    95    96   109   110   111   112    91  
   84  
    0  
   86    87    97    98    99   100  
   87    97    98    99   100  
   97    98    99   100  
   89    90   101   102   103   104  
   90   101   102   103   104  
  101   102   103   104  
   92    93   105   106   107   108  
   93   105   106   107   108  
  105   106   107   108  
   95    96   109   110   111   112  
   96   109   110   111   112  
  109   110   111   112  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112  
  111   112  
  112  
    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  -0.175000   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   0.372200   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   3.5000   0.0660   0.267100   1.9750   1.7500   0.005000000  -0.741685710
   38   3.4000   0.3000  -0.267100   2.1950   1.9500   0.001000000   0.320982824
   39   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   71   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   75   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   76   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   77   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   78   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   79   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   80   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   81   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   82   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   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   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.152900   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   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   260.000  1.519
   33    39   320.000  1.380
   33    40   380.000  1.407
   37    38   185.000  1.815
   37    42   268.000  1.529
   37    43   268.000  1.529
   42    44   317.000  1.510
   42    45   268.000  1.529
   42    52   260.000  1.519
   44    56   469.000  1.400
   44    72   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    66   469.000  1.400
   64    71   450.000  1.364
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    78   450.000  1.364
   78    83   214.000  1.327
   83    84   570.000  1.229
   83    45   265.000  1.493
   45    46   185.000  1.815
   45    43   268.000  1.529
   43    47   317.000  1.510
   43    48   260.000  1.519
   47    58   469.000  1.400
   47    73   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    39   450.000  1.364
   70    74   405.000  1.623
   74    75   270.000  1.959
   74    79   405.000  1.623
   74    80   405.000  1.623
   79    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   80    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   71    76   405.000  1.623
   76    77   270.000  1.959
   76    81   405.000  1.623
   76    82   405.000  1.623
   81    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   82    94   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   553.000  0.945
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  111.63000
   29    33    39    85.00000  114.68000
   29    33    40    85.00000  114.68000
   33    37    38    75.00000  108.76400
   33    37    42    65.00000  119.52000
   33    37    43    65.00000  119.52000
   33    39    73   100.00000  112.36700
   33    40    41    70.00000  107.92000
   37    42    44    50.00000  118.80000
   37    42    45    63.00000   92.00000
   37    42    52    65.00000  119.52000
   37    43    45    63.00000   92.00000
   37    43    47    50.00000  118.80000
   37    43    48    65.00000  119.52000
   42    37    38    65.00000  118.08000
   42    44    56    70.00000  120.00000
   42    44    72    70.00000  120.00000
   42    45    83    80.00000  115.07000
   42    45    46    65.00000  118.08000
   42    45    43    63.00000   92.00000
   42    52    53    45.00000  111.22300
   42    52    54    45.00000  111.22300
   42    52    55    45.00000  111.22300
   44    56    57    35.00000  120.00000
   44    56    60    63.00000  120.00000
   44    72    66    63.00000  120.00000
   44    72    78    70.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    64    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    64    66    63.00000  120.00000
   60    64    71    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    72    63.00000  120.00000
   64    71    76    70.00000  122.28900
   66    72    78    70.00000  120.00000
   72    44    56    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    78    83    85.00000  115.98000
   78    83    84    83.00000  123.40000
   78    83    45    81.00000  111.40000
   83    45    46    70.00000  110.66000
   83    45    43    80.00000  115.07000
   45    42    44    50.00000  118.80000
   45    83    84    65.00000  127.62700
   45    43    47    50.00000  118.80000
   45    43    48    65.00000  119.52000
   43    37    38    65.00000  118.08000
   43    37    42    63.00000   92.00000
   43    45    46    65.00000  118.08000
   43    47    58    70.00000  120.00000
   43    47    73    70.00000  120.00000
   43    48    49    45.00000  111.22300
   43    48    50    45.00000  111.22300
   43    48    51    45.00000  111.22300
   47    58    59    35.00000  120.00000
   47    58    62    63.00000  120.00000
   47    73    68    63.00000  120.00000
   47    73    39    70.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    65    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    65    70    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    73    63.00000  120.00000
   65    70    74    70.00000  122.28900
   68    73    39    70.00000  120.00000
   73    47    58    63.00000  120.00000
   73    68    69    35.00000  120.00000
   39    33    37    90.00000  108.56700
   70    65    68    70.00000  120.00000
   70    74    75    80.00000  117.31900
   70    74    79   120.00000  102.38000
   70    74    80   120.00000  102.38000
   74    79    85    75.00000  119.24600
   74    80    88    75.00000  119.24600
   79    74    75    80.00000  117.31900
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    97    50.00000  109.50000
   85    97    98    37.50000  110.70000
   85    97    99    37.50000  110.70000
   85    97   100    37.50000  110.70000
   87    85    86    33.00000  107.80000
   97    85    86    37.50000  110.70000
   97    85    87    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   80    74    75    80.00000  117.31900
   80    74    79   120.00000  102.38000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88   101    50.00000  109.50000
   88   101   102    37.50000  110.70000
   88   101   103    37.50000  110.70000
   88   101   104    37.50000  110.70000
   90    88    89    33.00000  107.80000
  101    88    89    37.50000  110.70000
  101    88    90    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   48    43    47    70.00000  112.17500
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   71    64    66    70.00000  120.00000
   71    76    77    80.00000  117.31900
   71    76    81   120.00000  102.38000
   71    76    82   120.00000  102.38000
   76    81    91    75.00000  119.24600
   76    82    94    75.00000  119.24600
   81    76    77    80.00000  117.31900
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91   105    50.00000  109.50000
   91   105   106    37.50000  110.70000
   91   105   107    37.50000  110.70000
   91   105   108    37.50000  110.70000
   93    91    92    33.00000  107.80000
  105    91    92    37.50000  110.70000
  105    91    93    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   82    76    77    80.00000  117.31900
   82    76    81   120.00000  102.38000
   82    94    95    35.00000  109.50000
   82    94    96    35.00000  109.50000
   82    94   109    50.00000  109.50000
   94   109   110    37.50000  110.70000
   94   109   111    37.50000  110.70000
   94   109   112    37.50000  110.70000
   96    94    95    33.00000  107.80000
  109    94    95    37.50000  110.70000
  109    94    96    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   52    42    44    70.00000  112.17500
   52    42    45    65.00000  119.52000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    37    90.00000  110.19100
   40    33    39   110.00000  112.08000
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
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
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   96    94   109   112   0.15000  1.0 3.0
   52    42    44    56   0.04150 -1.0 2.0
   52    42    44    72   0.04150 -1.0 2.0
   52    42    45    83  -0.95700  1.0 1.0
   52    42    45    83  -0.18200 -1.0 2.0
   52    42    45    83   0.29450  1.0 3.0
   52    42    45    46   0.35600  1.0 1.0
   52    42    45    46  -0.14650 -1.0 2.0
   52    42    45    46   0.33350  1.0 3.0
   52    42   -45    43  -0.70950  1.0 1.0
   52    42   -45    43   0.38400 -1.0 2.0
   40    33    37    38   0.56750  1.0 1.0
   40    33    37    38  -0.07550 -1.0 2.0
   40    33    37    38   0.20000  1.0 3.0
   40    33    37    42   0.86500  1.0 1.0
   40    33    37    42  -0.17500 -1.0 2.0
   40    33    37    42   0.20800  1.0 3.0
   40    33    37    43   0.86500  1.0 1.0
   40    33    37    43  -0.17500 -1.0 2.0
   40    33    37    43   0.20800  1.0 3.0
   40    33    39    73  -0.25600  1.0 1.0
   40    33    39    73  -0.40050 -1.0 2.0
   40    33    39    73   0.34700  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
   56    72    44    42   4.00000 -1.0 2.0
   60    57    56    44   1.10000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   66    71    64    60   4.00000 -1.0 2.0
   72    67    66    64   1.10000 -1.0 2.0
   66    78    72    44   4.00000 -1.0 2.0
   78    45    83    84  10.50000 -1.0 2.0
   58    73    47    43   4.00000 -1.0 2.0
   62    59    58    47   1.10000 -1.0 2.0
   65    63    62    58   1.10000 -1.0 2.0
   68    70    65    62   4.00000 -1.0 2.0
   73    69    68    65   1.10000 -1.0 2.0
   68    39    73    47   4.00000 -1.0 2.0
END
