* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    130    221     392
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069    96.22393    29.22202
    3     1 S   H    _H1_     3     1.02128    34.40302   143.61251
    4     1 S   H    _H2_     4     1.02087    83.51243   -78.99388
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.83818    97.63836  -178.13848
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CO4  _C19    37     1.52111   106.33763   -60.00611
   38    37 S   O    _O24    38     1.22988   122.58014   -73.65369
   39    33 S   CM   _C20    56     1.50449   109.47210  -174.15927
   40    37 S   CA   _C11    39     1.47691   118.00434   103.65925
   41    39 S   CO4  _C18    57     1.49636   115.94624  -155.65656
   42    41 S   O    _O23    58     1.22669   119.84620    -0.31590
   43    40 S   CA   _C8_    40     1.40302   120.51360    11.10369
   44    41 S   CA   _C10    59     1.47280   118.56530   179.67076
   45    43 S   CA   _C4_    41     1.41522   116.55393  -179.15721
   46    45 S   HA   _H32    42     1.08858   120.90965   179.74899
   47    43 S   CMA  _C16    51     1.51315   123.12778     1.70146
   48    47 S   OM   _O21    52     1.26891   120.12268   172.33080
   49    44 S   CA   _C9_    60     1.39175   120.57108     0.29141
   50    45 S   CA   _C12    43     1.39785   122.04267    -0.24787
   51    33 S   CM   _C22    53     1.50716   108.82528    63.15564
   52    49 S   CA   _C5_    61     1.40064   120.02943  -179.95154
   53    52 S   HA   _H33    62     1.08701   120.92069  -179.93147
   54    49 S   CO4  _C17    71     1.47057   120.33142     0.11364
   55    54 S   O    _O22    72     1.22566   120.93080   179.84174
   56    50 S   CA   _C7_    44     1.38694   120.00003    -0.09279
   57    56 S   HA   _H35    45     1.08691   120.09392   179.98022
   58    50 S   OH   _O25    49     1.36137   119.96847   179.93439
   59    58 S   HO   _H36    50     0.97146   110.25984    -0.01978
   60    51 S   OH   _O30    54     1.39847   112.49637    72.28418
   61    60 S   HO   _H41    55     0.95674   108.76010   179.68225
   62    52 S   CA   _C13    63     1.39480   120.00461    -0.00000
   63    39 S   CM   _C21    73     1.34554   123.62834    24.57932
   64    40 S   CA   _C15    46     1.40627   118.00523  -168.54269
   65    62 S   CA   _C6_    64     1.39236   120.04089    -0.02798
   66    65 S   HA   _H34    65     1.08741   119.88053   179.95154
   67    62 S   OH   _O26    69     1.36139   119.98894  -179.97202
   68    67 S   HO   _H37    70     0.97059   110.23578     0.03956
   69    63 S   OH   _O29    74     1.38137   121.34961    -0.02798
   70    69 S   HO   _H40    75     0.96206   109.75462  -179.81655
   71    64 S   OH   _O28    47     1.36525   123.07105     0.25717
   72    71 S   HO   _H39    48     0.96873   110.10362    -0.90763
   73    44 S   CA   _C14    66     1.40152   119.63097  -179.66487
   74    73 S   OH   _O27    67     1.36376   122.81482    -0.00000
   75    74 S   HO   _H38    68     0.97012   110.13093    -0.02798
  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  10   5   4   3
  17   2   1   1  13   5  14  12  11   4  11  12  10   4   6   2
  11   6   3  10   4   6   2   6   3   2   1   1   1   6   2   2
   6   3   2   1   1   1   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    60    39    41    63  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    64    47    48    51    60    61    39    41    42    44    54    63    69  
   35    36  
   36  
    0  
   38    40    43    45    56    64    71    47    51    60    39    41    63  
   40    43    64    51    39  
   41    42    44    49    73    54    55    63    69    70    40    47    51    60  
   43    45    46    50    56    57    64    71    72    47    48    51  
   42    44    49    52    65    73    74    54    63    69    51  
   44    49    73    63  
   45    46    50    56    64    71    58    47    48    51    60  
   49    52    53    62    65    66    73    74    75    54    55    63  
   46    50    56    57    64    58    59    47    48    51  
   50    56    58    47  
   48    51    60    61    50    64  
   51    60  
   52    53    62    65    73    74    67    54    55    63    69  
   56    57    64    71    58    59  
   60    61    63  
   53    62    65    66    73    67    68    54    55    63  
   62    65    67    54  
   55    63    69    70    62    73  
   63    69  
   57    64    71    72    58    59  
   64    71    58  
   59    64  
    0  
   61  
    0  
   65    66    73    74    67    68  
   69    70  
   71    72  
   66    73    74    75    67    68  
   73    74    67  
   68    73  
    0  
   70  
    0  
   72  
    0  
   74    75  
   75  
    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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    51   317.000  1.510
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    64   469.000  1.400
   43    45   469.000  1.400
   43    47   320.000  1.460
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    71   450.000  1.364
   71    72   553.000  0.945
   58    59   553.000  0.945
   47    48   745.000  1.250
   47    51   465.000  1.376
   51    60   510.000  1.338
   60    61   553.000  0.945
   39    41   320.000  1.462
   39    63   549.000  1.340
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    73   469.000  1.400
   49    52   469.000  1.400
   49    54   310.000  1.470
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    65   469.000  1.400
   62    67   450.000  1.364
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   67    68   553.000  0.945
   54    55   570.000  1.229
   54    63   320.000  1.462
   63    69   510.000  1.338
   69    70   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  110.18000
   29    33    51    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    51    47    70.00000  124.00000
   33    51    60    90.00000  109.34000
   33    39    41    65.00000  116.34900
   33    39    63    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    64    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  120.93500
   40    64    56    63.00000  120.00000
   40    64    71    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    85.00000  114.86500
   43    47    51    60.00000  123.20500
   45    50    56    63.00000  120.00000
   45    50    58    70.00000  120.00000
   50    45    46    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    64    63.00000  120.00000
   50    58    59    35.00000  113.00000
   56    64    71    70.00000  120.00000
   64    40    43    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    71    72    35.00000  113.00000
   58    50    56    70.00000  120.00000
   47    43    45    60.00000  120.93500
   47    51    60    80.00000  121.38400
   51    33    37    70.00000  109.06800
   51    47    48    65.00000  137.10300
   51    60    61    70.00000  107.45700
   39    33    37    70.00000  109.06800
   39    33    51    70.00000  110.12100
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    63    54    65.00000  118.96000
   39    63    69    80.00000  121.38400
   41    44    49    60.00000  119.52600
   41    44    73    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    52    63.00000  120.00000
   44    49    54    60.00000  119.52600
   44    73    65    63.00000  120.00000
   44    73    74    70.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    62    63.00000  120.00000
   49    54    55    75.00000  123.78400
   49    54    63    65.00000  117.02400
   52    62    65    63.00000  120.00000
   52    62    67    70.00000  120.00000
   62    52    53    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    73    63.00000  120.00000
   62    67    68    35.00000  113.00000
   65    73    74    70.00000  120.00000
   73    44    49    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    74    75    35.00000  113.00000
   67    62    65    70.00000  120.00000
   54    49    52    60.00000  119.52600
   54    63    69    85.00000  116.28000
   63    39    41    65.00000  118.96000
   63    54    55    80.00000  123.72100
   63    69    70    70.00000  107.45700
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
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    47   0.42700  1.0 1.0
   29    33    51    47  -0.70350 -1.0 2.0
   29    33    51    47  -0.43150  1.0 3.0
   29    33    51    60   0.09700  1.0 1.0
   29    33    51    60   0.15600 -1.0 2.0
   29    33    51    60  -0.50800  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    63   0.42700  1.0 1.0
   29    33    39    63  -0.70350 -1.0 2.0
   29    33    39    63  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    64   2.26350  1.0 1.0
   33    37    40    64   0.76750 -1.0 2.0
   33    37    40    64   0.22500  1.0 3.0
   33    51    60    61   2.00000 -1.0 2.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    63    54   7.00000 -1.0 2.0
   33    39    63    69   7.00000 -1.0 2.0
   37    33    51    47  -0.51250  1.0 1.0
   37    33    51    47  -0.88800 -1.0 2.0
   37    33    51    47   0.08850  1.0 3.0
   37    33    51    60   0.09700  1.0 1.0
   37    33    51    60   0.15600 -1.0 2.0
   37    33    51    60  -0.50800  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    63  -0.51250  1.0 1.0
   37    33    39    63  -0.88800 -1.0 2.0
   37    33    39    63   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    64    56   3.62500 -1.0 2.0
   37    40    64    71   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    64   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48  -0.01750  1.0 1.0
   40    43    47    48  -0.32000 -1.0 2.0
   40    43    47    48   0.00600  1.0 3.0
   40    43    47    51   0.15800  1.0 1.0
   40    43    47    51   1.85350 -1.0 2.0
   40    43    47    51  -0.48700  1.0 3.0
   40    64    71    72   0.84100 -1.0 2.0
   43    40    64    56   3.62500 -1.0 2.0
   43    40    64    71   3.62500 -1.0 2.0
   43    45   -50    56   3.62500 -1.0 2.0
   43    45    50    58   3.62500 -1.0 2.0
   43    47   -51    33   7.00000 -1.0 2.0
   43    47    51    60   7.00000 -1.0 2.0
   45    43    47    48  -0.01750  1.0 1.0
   45    43    47    48  -0.32000 -1.0 2.0
   45    43    47    48   0.00600  1.0 3.0
   45    43    47    51   0.15800  1.0 1.0
   45    43    47    51   1.85350 -1.0 2.0
   45    43    47    51  -0.48700  1.0 3.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    64   3.62500 -1.0 2.0
   45    50    58    59   0.84100 -1.0 2.0
   46    45    50    56   3.62500 -1.0 2.0
   46    45    50    58   3.62500 -1.0 2.0
   50    56   -64    40   3.62500 -1.0 2.0
   50    56    64    71   3.62500 -1.0 2.0
   56    50    58    59   0.84100 -1.0 2.0
   56    64    71    72   0.84100 -1.0 2.0
   57    56    64    40   3.62500 -1.0 2.0
   57    56    64    71   3.62500 -1.0 2.0
   64    40   -43    45   3.62500 -1.0 2.0
   64    40    43    47   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   58    50    56    64   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   47    51    60    61  -0.66100  1.0 1.0
   47    51    60    61   1.20850 -1.0 2.0
   47    51    60    61  -0.36000  1.0 3.0
   48    47    51    33   7.00000 -1.0 2.0
   48    47    51    60   7.00000 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.65300  1.0 1.0
   51    33   -37    40  -0.03850 -1.0 2.0
   51    33   -37    40   0.33900  1.0 3.0
   51    33    39    41   0.09700  1.0 1.0
   51    33    39    41   0.15600 -1.0 2.0
   51    33    39    41  -0.50800  1.0 3.0
   51    33    39    63  -0.28300  1.0 1.0
   51    33    39    63   0.26700 -1.0 2.0
   51    33    39    63  -0.63300  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    51    47  -0.28300  1.0 1.0
   39    33    51    47   0.26700 -1.0 2.0
   39    33    51    47  -0.63300  1.0 3.0
   39    33    51    60   0.09700  1.0 1.0
   39    33    51    60   0.15600 -1.0 2.0
   39    33    51    60  -0.50800  1.0 3.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    73  -0.11500  1.0 1.0
   39    41    44    73   1.10450 -1.0 2.0
   39    41    44    73  -0.48050  1.0 3.0
   39    63    69    70  -0.66100  1.0 1.0
   39    63    69    70   1.20850 -1.0 2.0
   39    63    69    70  -0.36000  1.0 3.0
   41    39    63    54   7.00000 -1.0 2.0
   41    39    63    69   7.00000 -1.0 2.0
   41    44    49    52   3.62500 -1.0 2.0
   41    44   -49    54   3.62500 -1.0 2.0
   41    44    73    65   3.62500 -1.0 2.0
   41    44    73    74   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    73   1.05000 -1.0 2.0
   44    49    52    53   3.62500 -1.0 2.0
   44    49    52    62   3.62500 -1.0 2.0
   44    49    54    55   1.05000 -1.0 2.0
   44    49    54    63  -0.11500  1.0 1.0
   44    49    54    63   1.10450 -1.0 2.0
   44    49    54    63  -0.48050  1.0 3.0
   44    73    74    75   0.84100 -1.0 2.0
   49    44    73    65   3.62500 -1.0 2.0
   49    44    73    74   3.62500 -1.0 2.0
   49    52   -62    65   3.62500 -1.0 2.0
   49    52    62    67   3.62500 -1.0 2.0
   49    54   -63    39  -1.65800  1.0 1.0
   49    54   -63    39   0.77650 -1.0 2.0
   49    54    63    69   1.50000 -1.0 2.0
   52    49    54    55   1.05000 -1.0 2.0
   52    49    54    63  -0.11500  1.0 1.0
   52    49    54    63   1.10450 -1.0 2.0
   52    49    54    63  -0.48050  1.0 3.0
   52    62    65    66   3.62500 -1.0 2.0
   52    62    65    73   3.62500 -1.0 2.0
   52    62    67    68   0.84100 -1.0 2.0
   53    52    62    65   3.62500 -1.0 2.0
   53    52    62    67   3.62500 -1.0 2.0
   62    65   -73    44   3.62500 -1.0 2.0
   62    65    73    74   3.62500 -1.0 2.0
   65    62    67    68   0.84100 -1.0 2.0
   65    73    74    75   0.84100 -1.0 2.0
   66    65    73    44   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   73    44   -49    52   3.62500 -1.0 2.0
   73    44    49    54   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    73   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    62   3.62500 -1.0 2.0
   54    63    69    70   2.00000 -1.0 2.0
   55    54    63    39   1.00000 -1.0 2.0
   55    54    63    69  -0.11900  1.0 1.0
   55    54    63    69   0.76850 -1.0 2.0
   55    54    63    69   0.14100  1.0 3.0
   63    39    41    42   1.00000 -1.0 2.0
   63    39   -41    44  -1.65800  1.0 1.0
   63    39   -41    44   0.77650 -1.0 2.0
IPHI
    9     5     7     8  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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    64    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   56    58    50    45   4.00000 -1.0 2.0
   64    57    56    50   1.10000 -1.0 2.0
   56    71    64    40   4.00000 -1.0 2.0
   43    48    47    51   1.10000 -1.0 2.0
   33    60    51    47   1.10000 -1.0 2.0
   33    41    39    63   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    73    44    41   4.00000 -1.0 2.0
   52    54    49    44   4.00000 -1.0 2.0
   62    53    52    49   1.10000 -1.0 2.0
   65    67    62    52   4.00000 -1.0 2.0
   73    66    65    62   1.10000 -1.0 2.0
   65    74    73    44   4.00000 -1.0 2.0
   49    63    54    55  10.50000 -1.0 2.0
   54    69    63    39   1.10000 -1.0 2.0
END
