* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    133    224     400
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085    75.45000   -89.89499
    3     1 S   H    _H1_     3     1.02067   101.44138    16.65752
    4     1 S   H    _H2_     4     1.02074    39.03100   122.26378
    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   _C23    36     1.82992    98.17542   161.78523
   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     1.51880   107.77941   159.98477
   38    37 S   O    _O23    38     1.22780   122.38142   -93.11373
   39    33 S   CT   _C22    48     1.52093   111.98939   -76.82914
   40    39 S   HC   _H35    49     1.09856   110.21139   167.28383
   41    39 S   HC   _H36    50     1.09750   110.57247    50.59006
   42    33 S   OH   _O30    75     1.42205   110.02865    43.05919
   43    42 S   HO   _H42    76     0.97090   106.81093    57.13242
   44    37 S   CA   _C8_    39     1.48334   117.65993    85.31655
   45    44 S   CA   _C9_    40     1.39968   119.15681  -166.14391
   46    45 S   CA   _C13    41     1.39466   120.02740   178.45478
   47    45 S   CM   _C16    55     1.47451   123.93465     0.08156
   48    46 S   CA   _C6_    42     1.39366   120.08417    -0.00000
   49    48 S   HA   _H34    43     1.08793   119.93053  -179.97202
   50    46 S   OH   _O26    53     1.36497   121.78210  -179.78239
   51    50 S   HO   _H38    54     0.96949   110.07536   179.71676
   52    47 S   CO4  _C18    56     1.49102   118.95640   -90.00230
   53    52 S   O    _O22    57     1.22656   121.32204    -0.65192
   54    48 S   CA   _C15    44     1.39476   120.14056     0.29674
   55    52 S   CA   _C10    58     1.47419   118.15529   179.51141
   56    44 S   CA   _C11    45     1.39876   120.95460    12.84654
   57    54 S   OH   _O28    51     1.36305   117.18156   179.33677
   58    57 S   HO   _H40    52     0.96898   110.17195   180.00000
   59    55 S   CA   _C7_    59     1.39446   120.60691     0.27411
   60    56 S   CO4  _C20    46     1.48095   120.94514     2.89381
   61    60 S   O    _O24    47     1.22627   120.76557  -174.92719
   62    59 S   CA   _C4_    60     1.39943   119.99741   179.92598
   63    62 S   HA   _H32    61     1.08783   120.97216  -179.98022
   64    59 S   CO4  _C17    70     1.47245   120.46338    -0.22814
   65    64 S   O    _O21    71     1.22561   121.04894  -179.94766
   66    62 S   CA   _C12    62     1.39520   120.01996    -0.08393
   67    47 S   CM   _C21    72     1.34386   120.09843    89.56959
   68    66 S   CA   _C5_    63     1.39299   120.03768     0.13122
   69    68 S   HA   _H33    64     1.08809   119.86147   179.97202
   70    66 S   OH   _O25    68     1.36121   119.98901   179.98022
   71    70 S   HO   _H37    69     0.97041   110.27275     0.04423
   72    67 S   OH   _O29    73     1.38438   121.46812    -0.03956
   73    72 S   HO   _H41    74     0.96192   109.56234  -179.98022
   74    55 S   CA   _C14    65     1.40083   119.55779  -179.85463
   75    74 S   OH   _O27    66     1.36340   122.82170     0.18452
   76    75 S   HO   _H39    67     0.96999   110.12676    -0.13417
  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
  12   2   1   1  13   5   9   5   4   3   1  12  15  10  13   8
   4   2   1  10   4   5  12   4   2   1  11   1   1  10   4   6
   2   6   2   6   3   2   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    60    39    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    56    60    61    39    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    46    54    56    60    39    40    41    47    42    43  
   44    45    56    39    42  
   40    41    42    43    44    54    56    60    61  
   41    42    56    60    61  
   42    56    60    61  
   43    44    60  
    0  
   45    46    48    54    56    60    61    57    50    47    52    67  
   46    48    49    54    56    60    50    51    47    52    53    55    64    67    72  
   48    49    54    56    57    50    51    47    52    67  
   52    53    55    59    74    64    65    67    72    73    48    50    56  
   49    54    56    60    57    58    50    51  
   54    56    57    50  
   51    54  
    0  
   53    55    59    62    68    74    75    64    67    72  
   55    59    74    67  
   56    60    61    57    58  
   59    62    63    66    68    69    74    75    76    64    65    67  
   60    61    57    58  
   58    60  
    0  
   62    63    66    68    74    75    70    64    65    67    72  
   61  
    0  
   63    66    68    69    74    70    71    64    65    67  
   66    68    70    64  
   65    67    72    73    66    74  
   67    72  
   68    69    74    75    70    71  
   72    73  
   69    74    75    76    70    71  
   74    75    70  
   71    74  
    0  
   73  
    0  
   75    76  
   76  
    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   3.7500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   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    39   268.000  1.529
   33    42   320.000  1.410
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    45   469.000  1.400
   44    56   469.000  1.400
   45    46   469.000  1.400
   45    47   320.000  1.460
   46    48   469.000  1.400
   46    50   450.000  1.364
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    56   469.000  1.400
   54    57   450.000  1.364
   56    60   310.000  1.470
   60    61   570.000  1.229
   60    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   57    58   553.000  0.945
   50    51   553.000  0.945
   47    52   320.000  1.462
   47    67   549.000  1.340
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    59   469.000  1.400
   55    74   469.000  1.400
   59    62   469.000  1.400
   59    64   310.000  1.470
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    68   469.000  1.400
   66    70   450.000  1.364
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   450.000  1.364
   75    76   553.000  0.945
   70    71   553.000  0.945
   64    65   570.000  1.229
   64    67   320.000  1.462
   67    72   510.000  1.338
   72    73   553.000  0.945
   42    43   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    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    60    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    55.00000  108.50000
   37    44    45    60.00000  119.52600
   37    44    56    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    45    46    63.00000  120.00000
   44    45    47    60.00000  118.70000
   44    56    54    63.00000  120.00000
   44    56    60    60.00000  119.52600
   45    46    48    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    52    60.00000  124.00000
   45    47    67    60.00000  123.66000
   46    48    49    35.00000  120.00000
   46    48    54    63.00000  120.00000
   46    50    51    35.00000  113.00000
   48    54    56    63.00000  120.00000
   48    54    57    70.00000  120.00000
   54    48    49    35.00000  120.00000
   54    56    60    60.00000  119.52600
   54    57    58    35.00000  113.00000
   56    44    45    63.00000  120.00000
   56    60    61    75.00000  123.78400
   56    60    39    65.00000  115.47100
   60    39    40    35.00000  109.50000
   60    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    60    61    80.00000  120.40000
   41    39    40    33.00000  107.80000
   57    54    56    70.00000  120.00000
   50    46    48    70.00000  120.00000
   47    45    46    60.00000  118.70000
   47    52    53    80.00000  123.72100
   47    52    55    65.00000  117.02400
   47    67    64    65.00000  118.96000
   47    67    72    80.00000  121.38400
   52    55    59    60.00000  119.52600
   52    55    74    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    59    62    63.00000  120.00000
   55    59    64    60.00000  119.52600
   55    74    68    63.00000  120.00000
   55    74    75    70.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   59    64    65    75.00000  123.78400
   59    64    67    65.00000  117.02400
   62    66    68    63.00000  120.00000
   62    66    70    70.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    74    63.00000  120.00000
   66    70    71    35.00000  113.00000
   68    74    75    70.00000  120.00000
   74    55    59    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    75    76    35.00000  113.00000
   70    66    68    70.00000  120.00000
   64    59    62    60.00000  119.52600
   64    67    72    85.00000  116.28000
   67    47    52    65.00000  118.96000
   67    64    65    80.00000  123.72100
   67    72    73    70.00000  107.45700
   42    33    37    90.00000  109.61100
   42    33    39    50.00000  109.50000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    60   0.56750  1.0 1.0
   29    33    39    60  -0.07550 -1.0 2.0
   29    33    39    60   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.35600  1.0 1.0
   29    33    42    43  -0.10750 -1.0 2.0
   29    33    42    43  -0.54400  1.0 3.0
   33    37    44    45   2.26350  1.0 1.0
   33    37    44    45   0.76750 -1.0 2.0
   33    37    44    45   0.22500  1.0 3.0
   33    37    44    56   2.26350  1.0 1.0
   33    37    44    56   0.76750 -1.0 2.0
   33    37    44    56   0.22500  1.0 3.0
   37    33    39    60   0.11950  1.0 1.0
   37    33    39    60   0.20300 -1.0 2.0
   37    33    39    60  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.91850  1.0 1.0
   37    33    42    43   0.57950  1.0 3.0
   37    44    45    46   3.62500 -1.0 2.0
   37    44    45    47   3.62500 -1.0 2.0
   37    44    56    54   3.62500 -1.0 2.0
   37    44   -56    60   3.62500 -1.0 2.0
   38    37    44    45   1.05000 -1.0 2.0
   38    37    44    56   1.05000 -1.0 2.0
   44    45    46    48   3.62500 -1.0 2.0
   44    45    46    50   3.62500 -1.0 2.0
   44    45    47    52  -0.01750  1.0 1.0
   44    45    47    52  -0.32000 -1.0 2.0
   44    45    47    52   0.00600  1.0 3.0
   44    45    47    67   0.15800  1.0 1.0
   44    45    47    67   1.85350 -1.0 2.0
   44    45    47    67  -0.48700  1.0 3.0
   44    56    60    61   1.05000 -1.0 2.0
   44    56    60    39   2.26350  1.0 1.0
   44    56    60    39   0.76750 -1.0 2.0
   44    56    60    39   0.22500  1.0 3.0
   45    44    56    54   3.62500 -1.0 2.0
   45    44    56    60   3.62500 -1.0 2.0
   45    46    48    49   3.62500 -1.0 2.0
   45    46   -48    54   3.62500 -1.0 2.0
   45    46    50    51   0.84100 -1.0 2.0
   45    47    52    53  -0.52200  1.0 1.0
   45    47    52    53   0.82950 -1.0 2.0
   45    47    52    55   1.50000 -1.0 2.0
   45    47    67    64   7.00000 -1.0 2.0
   45    47    67    72   7.00000 -1.0 2.0
   46    45    47    52  -0.01750  1.0 1.0
   46    45    47    52  -0.32000 -1.0 2.0
   46    45    47    52   0.00600  1.0 3.0
   46    45    47    67   0.15800  1.0 1.0
   46    45    47    67   1.85350 -1.0 2.0
   46    45    47    67  -0.48700  1.0 3.0
   46    48    54    56   3.62500 -1.0 2.0
   46    48    54    57   3.62500 -1.0 2.0
   48    46    50    51   0.84100 -1.0 2.0
   48    54   -56    44   3.62500 -1.0 2.0
   48    54    56    60   3.62500 -1.0 2.0
   48    54    57    58   0.84100 -1.0 2.0
   49    48    54    56   3.62500 -1.0 2.0
   49    48    54    57   3.62500 -1.0 2.0
   54    56    60    61   1.05000 -1.0 2.0
   54    56    60    39   2.26350  1.0 1.0
   54    56    60    39   0.76750 -1.0 2.0
   54    56    60    39   0.22500  1.0 3.0
   56    44   -45    46   3.62500 -1.0 2.0
   56    44    45    47   3.62500 -1.0 2.0
   56    54    57    58   0.84100 -1.0 2.0
   56    60   -39    33   0.05850 -1.0 2.0
   56    60   -39    33   0.17250  1.0 3.0
   56    60    39    40   0.00000  1.0 1.0
   56    60    39    41   0.00000  1.0 1.0
   61    60    39    33   0.30150 -1.0 2.0
   61    60    39    40   0.00000  1.0 1.0
   61    60    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.05850 -1.0 2.0
   39    33   -37    44   0.17250  1.0 3.0
   39    33    42    43  -0.11600  1.0 1.0
   39    33    42    43  -0.09450 -1.0 2.0
   39    33    42    43   0.21250  1.0 3.0
   57    54    56    44   3.62500 -1.0 2.0
   57    54    56    60   3.62500 -1.0 2.0
   50    46    48    49   3.62500 -1.0 2.0
   50    46    48    54   3.62500 -1.0 2.0
   47    45    46    48   3.62500 -1.0 2.0
   47    45    46    50   3.62500 -1.0 2.0
   47    52    55    59  -0.11500  1.0 1.0
   47    52    55    59   1.10450 -1.0 2.0
   47    52    55    59  -0.48050  1.0 3.0
   47    52    55    74  -0.11500  1.0 1.0
   47    52    55    74   1.10450 -1.0 2.0
   47    52    55    74  -0.48050  1.0 3.0
   47    67    72    73  -0.66100  1.0 1.0
   47    67    72    73   1.20850 -1.0 2.0
   47    67    72    73  -0.36000  1.0 3.0
   52    47    67    64   7.00000 -1.0 2.0
   52    47    67    72   7.00000 -1.0 2.0
   52    55    59    62   3.62500 -1.0 2.0
   52    55   -59    64   3.62500 -1.0 2.0
   52    55    74    68   3.62500 -1.0 2.0
   52    55    74    75   3.62500 -1.0 2.0
   53    52    55    59   1.05000 -1.0 2.0
   53    52    55    74   1.05000 -1.0 2.0
   55    59    62    63   3.62500 -1.0 2.0
   55    59    62    66   3.62500 -1.0 2.0
   55    59    64    65   1.05000 -1.0 2.0
   55    59    64    67  -0.11500  1.0 1.0
   55    59    64    67   1.10450 -1.0 2.0
   55    59    64    67  -0.48050  1.0 3.0
   55    74    75    76   0.84100 -1.0 2.0
   59    55    74    68   3.62500 -1.0 2.0
   59    55    74    75   3.62500 -1.0 2.0
   59    62   -66    68   3.62500 -1.0 2.0
   59    62    66    70   3.62500 -1.0 2.0
   59    64   -67    47  -1.65800  1.0 1.0
   59    64   -67    47   0.77650 -1.0 2.0
   59    64    67    72   1.50000 -1.0 2.0
   62    59    64    65   1.05000 -1.0 2.0
   62    59    64    67  -0.11500  1.0 1.0
   62    59    64    67   1.10450 -1.0 2.0
   62    59    64    67  -0.48050  1.0 3.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    74   3.62500 -1.0 2.0
   62    66    70    71   0.84100 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   63    62    66    70   3.62500 -1.0 2.0
   66    68   -74    55   3.62500 -1.0 2.0
   66    68    74    75   3.62500 -1.0 2.0
   68    66    70    71   0.84100 -1.0 2.0
   68    74    75    76   0.84100 -1.0 2.0
   69    68    74    55   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    55   -59    62   3.62500 -1.0 2.0
   74    55    59    64   3.62500 -1.0 2.0
   70    66    68    69   3.62500 -1.0 2.0
   70    66    68    74   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   64    59    62    66   3.62500 -1.0 2.0
   64    67    72    73   2.00000 -1.0 2.0
   65    64    67    47   1.00000 -1.0 2.0
   65    64    67    72  -0.11900  1.0 1.0
   65    64    67    72   0.76850 -1.0 2.0
   65    64    67    72   0.14100  1.0 3.0
   67    47    52    53   1.00000 -1.0 2.0
   67    47   -52    55  -1.65800  1.0 1.0
   67    47   -52    55   0.77650 -1.0 2.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    60  -0.09450  1.0 1.0
   42    33    39    60  -1.12950 -1.0 2.0
   42    33    39    60   0.54000  1.0 3.0
   42    33    39    40   0.23400  1.0 3.0
   42    33    39    41   0.23400  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    44    37    38  10.50000 -1.0 2.0
   45    56    44    37   4.00000 -1.0 2.0
   46    47    45    44   4.00000 -1.0 2.0
   48    50    46    45   4.00000 -1.0 2.0
   54    49    48    46   1.10000 -1.0 2.0
   56    57    54    48   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   56    39    60    61  10.50000 -1.0 2.0
   45    52    47    67   1.10000 -1.0 2.0
   47    55    52    53  10.50000 -1.0 2.0
   59    74    55    52   4.00000 -1.0 2.0
   62    64    59    55   4.00000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   68    70    66    62   4.00000 -1.0 2.0
   74    69    68    66   1.10000 -1.0 2.0
   68    75    74    55   4.00000 -1.0 2.0
   59    67    64    65  10.50000 -1.0 2.0
   64    72    67    47   1.10000 -1.0 2.0
END
