* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    124    201     370
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02044    34.65378   141.56073
    3     1 S   H    _H1_     3     1.02101    82.86335   -79.93323
    4     1 S   H    _H2_     4     1.02046    96.73859    28.13528
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   _C22    36     1.85603   100.64894   180.00000
   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   CM   _C19    37     1.52037   105.79547  -160.03856
   38    37 S   HC   _H36    38     1.09094   114.33010    60.79112
   39    33 S   CM   _C20    53     1.52553   108.58052    77.50736
   40    39 S   HC   _H37    54     1.09327   114.04950    56.99961
   41    33 S   OH   _O23    73     1.42821   110.72690   -46.33259
   42    41 S   HO   _H40    74     0.97169   108.19775   -53.88613
   43    37 S   CM   _C17    39     1.34402   127.50406  -119.10303
   44    43 S   HC   _H34    40     1.08489   120.30354     2.39204
   45    39 S   CMA  _C21    55     1.35506   128.61038  -122.48341
   46    45 S   OM   _O20    56     1.26059   132.78996     1.60608
   47    43 S   CA   _C13    41     1.47220   124.92054  -179.26939
   48    45 S   CM   _C18    57     1.46495   117.49947   179.96044
   49    48 S   HC   _H35    58     1.09167   115.23975  -139.22319
   50    47 S   CA   _C6_    42     1.39398   120.02731  -159.99832
   51    50 S   HA   _H27    43     1.08734   120.86313    -0.04423
   52    48 S   CM   _C16    59     1.34621   127.86498    40.00905
   53    52 S   HC   _H33    60     1.08795   118.14327     0.19483
   54    50 S   CA   _C10    44     1.39514   119.99829   180.00000
   55    54 S   HA   _H31    45     1.08661   119.70224   179.95154
   56    52 S   CA   _C12    61     1.46959   127.15832  -179.97202
   57    54 S   CA   _C15    46     1.39515   119.99753     0.03956
   58    56 S   CA   _C4_    62     1.39488   119.99544   159.97653
   59    58 S   HA   _H25    63     1.08687   120.86584     0.01978
   60    57 S   CA   _C11    47     1.39446   119.99422    -0.07913
   61    60 S   HA   _H32    48     1.08689   120.34536  -179.97202
   62    57 S   OH   _O22    51     1.36088   119.99192   179.96574
   63    62 S   HO   _H39    52     0.97020   110.31654     0.03426
   64    58 S   CA   _C8_    64     1.39494   119.99793   179.97202
   65    64 S   HA   _H29    65     1.08609   119.66993   180.00000
   66    47 S   CA   _C7_    49     1.39518   119.94645    19.99040
   67    66 S   HA   _H28    50     1.08760   120.90015     0.00000
   68    64 S   CA   _C14    66     1.39581   119.98667     0.04846
   69    68 S   CA   _C9_    67     1.39423   119.98410    -0.05595
   70    69 S   HA   _H30    68     1.08659   120.32603  -179.92867
   71    68 S   OH   _O21    71     1.36076   119.96159  -179.96044
   72    71 S   HO   _H38    72     0.97020   110.35626    -0.07133
   73    56 S   CA   _C5_    69     1.39495   120.00557   -20.05486
   74    73 S   HA   _H26    70     1.08813   120.85922     0.07402
  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
  12   2   1   1  11   5   9   4   3   1   8   3   6   3   9   6
   3   8   4   8   3   7   3   9   6   8   4   5   3   2   1   7
   3   1   1   6   5   3   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    45    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    39    40    45    46    48    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    66    39    40    45    41    42  
   43    44    47    39    41  
   40    45    46    48    49    52    41    42    43  
   45    46    48    41  
   42    43    45  
    0  
   44    47    50    51    54    60    66    67  
   47    50    66  
   46    48    49    52    53    56  
   48    49    52  
   50    51    54    55    57    60    61    66    67  
   49    52    53    56    58    73  
   52    53    56  
   51    54    55    57    60    66    67    62  
   54    55    57    66  
   53    56    58    59    64    69    73    74  
   56    58    73  
   55    57    60    61    66    62    63  
   57    60    62  
   58    59    64    65    68    69    70    73    74  
   60    61    66    67    62    63  
   59    64    65    68    69    73    74    71  
   64    65    68    73  
   61    66    67    62    63  
   66    67    62  
   63    66  
    0  
   65    68    69    70    73    71    72  
   68    69    71  
   67  
    0  
   69    70    73    74    71    72  
   70    73    74    71    72  
   73    74    71  
   72    73  
    0  
   74  
    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   0.432500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.510
   33    39   317.000  1.510
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    43   549.000  1.340
   43    44   340.000  1.080
   43    47   320.000  1.460
   47    50   469.000  1.400
   47    66   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   367.000  1.080
   62    63   553.000  0.945
   39    40   340.000  1.080
   39    45   465.000  1.376
   45    46   745.000  1.250
   45    48   465.000  1.376
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    56   320.000  1.460
   56    58   469.000  1.400
   56    73   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   71    72   553.000  0.945
   41    42   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  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   33    41    42    55.00000  108.50000
   37    43    44    35.00000  120.00000
   37    43    47    60.00000  123.20500
   43    37    38    35.00000  120.00000
   43    47    50    60.00000  120.93500
   43    47    66    60.00000  120.93500
   47    43    44    40.00000  117.26300
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   47    66    60    63.00000  120.00000
   47    66    67    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    60    63.00000  120.00000
   54    57    62    70.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   57    62    63    35.00000  113.00000
   60    66    67    35.00000  120.00000
   66    47    50    63.00000  120.00000
   66    60    61    35.00000  120.00000
   62    57    60    70.00000  120.00000
   39    33    37    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    48    70.00000  123.01800
   45    39    40    40.00000  120.50800
   45    48    49    40.00000  120.50800
   45    48    52    70.00000  117.34000
   48    45    46    65.00000  137.10300
   48    52    53    35.00000  120.00000
   48    52    56    60.00000  123.20500
   52    48    49    35.00000  120.00000
   52    56    58    60.00000  120.93500
   52    56    73    60.00000  120.93500
   56    52    53    40.00000  117.26300
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    73    69    63.00000  120.00000
   56    73    74    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    68    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    68    69    63.00000  120.00000
   64    68    71    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    73    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    73    74    35.00000  120.00000
   73    56    58    63.00000  120.00000
   73    69    70    35.00000  120.00000
   71    68    69    70.00000  120.00000
   41    33    37    90.00000  110.39200
   41    33    39    90.00000  110.39200
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    47   7.00000 -1.0 2.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    48   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    45  -0.28300  1.0 1.0
   37    33    39    45   0.26700 -1.0 2.0
   37    33    39    45  -0.63300  1.0 3.0
   37    33    41    42  -0.07800  1.0 1.0
   37    33    41    42  -0.21500 -1.0 2.0
   37    33    41    42  -0.03150  1.0 3.0
   37    43    47    50   0.15800  1.0 1.0
   37    43    47    50   1.85350 -1.0 2.0
   37    43    47    50  -0.48700  1.0 3.0
   37    43    47    66   0.15800  1.0 1.0
   37    43    47    66   1.85350 -1.0 2.0
   37    43    47    66  -0.48700  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    47   7.00000 -1.0 2.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    54   3.62500 -1.0 2.0
   43    47    66    60   3.62500 -1.0 2.0
   43    47    66    67   3.62500 -1.0 2.0
   44    43    47    50   0.56550  1.0 3.0
   44    43    47    66   0.56550  1.0 3.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50    54    57   3.62500 -1.0 2.0
   50    47    66    60   3.62500 -1.0 2.0
   50    47    66    67   3.62500 -1.0 2.0
   50    54   -57    60   3.62500 -1.0 2.0
   50    54    57    62   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57    60    66   3.62500 -1.0 2.0
   54    57    62    63   0.84100 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   55    54    57    62   3.62500 -1.0 2.0
   57    60   -66    47   3.62500 -1.0 2.0
   57    60    66    67   3.62500 -1.0 2.0
   60    57    62    63   0.84100 -1.0 2.0
   61    60    66    47   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   66    47    50    51   3.62500 -1.0 2.0
   66    47   -50    54   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    66   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43  -0.28300  1.0 1.0
   39    33    37    43   0.26700 -1.0 2.0
   39    33    37    43  -0.63300  1.0 3.0
   39    33    41    42  -0.07800  1.0 1.0
   39    33    41    42  -0.21500 -1.0 2.0
   39    33    41    42  -0.03150  1.0 3.0
   39    45    48    49   7.00000 -1.0 2.0
   39    45    48    52   7.00000 -1.0 2.0
   40    39    45    46   7.00000 -1.0 2.0
   40    39    45    48   7.00000 -1.0 2.0
   45    48    52    53   7.00000 -1.0 2.0
   45    48    52    56   7.00000 -1.0 2.0
   46    45    48    49   7.00000 -1.0 2.0
   46    45    48    52   7.00000 -1.0 2.0
   48    52    56    58   0.15800  1.0 1.0
   48    52    56    58   1.85350 -1.0 2.0
   48    52    56    58  -0.48700  1.0 3.0
   48    52    56    73   0.15800  1.0 1.0
   48    52    56    73   1.85350 -1.0 2.0
   48    52    56    73  -0.48700  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    56   7.00000 -1.0 2.0
   52    56    58    59   3.62500 -1.0 2.0
   52    56    58    64   3.62500 -1.0 2.0
   52    56    73    69   3.62500 -1.0 2.0
   52    56    73    74   3.62500 -1.0 2.0
   53    52    56    58   0.56550  1.0 3.0
   53    52    56    73   0.56550  1.0 3.0
   56    58    64    65   3.62500 -1.0 2.0
   56    58    64    68   3.62500 -1.0 2.0
   58    56    73    69   3.62500 -1.0 2.0
   58    56    73    74   3.62500 -1.0 2.0
   58    64   -68    69   3.62500 -1.0 2.0
   58    64    68    71   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    68   3.62500 -1.0 2.0
   64    68    69    70   3.62500 -1.0 2.0
   64    68    69    73   3.62500 -1.0 2.0
   64    68    71    72   0.84100 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    69   -73    56   3.62500 -1.0 2.0
   68    69    73    74   3.62500 -1.0 2.0
   69    68    71    72   0.84100 -1.0 2.0
   70    69    73    56   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    56    58    59   3.62500 -1.0 2.0
   73    56   -58    64   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    73   3.62500 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    43   0.67800  1.0 1.0
   41    33    37    43   0.47050 -1.0 2.0
   41    33    37    43  -0.62500  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    45   0.67800  1.0 1.0
   41    33    39    45   0.47050 -1.0 2.0
   41    33    39    45  -0.62500  1.0 3.0
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    38    37    43  15.00000 -1.0 2.0
   47    44    43    37  15.00000 -1.0 2.0
   50    66    47    43   4.00000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   60    62    57    54   4.00000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   60    67    66    47   1.10000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   48    46    45    39  15.00000 -1.0 2.0
   45    49    48    52  15.00000 -1.0 2.0
   56    53    52    48  15.00000 -1.0 2.0
   58    73    56    52   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   68    65    64    58   1.10000 -1.0 2.0
   69    71    68    64   4.00000 -1.0 2.0
   73    70    69    68   1.10000 -1.0 2.0
   69    74    73    56   1.10000 -1.0 2.0
END
