* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    217     387
    1     0 S   NP   _N1_     1    29.16394    96.41267   -23.72717
    2     1 S   H    _HN1     2     1.02955    73.14256    12.51763
    3     1 S   H    _H1_     3     1.02827    36.08341   171.93479
    4     1 S   H    _H2_     4     1.02782   107.80115   -91.88796
    5     1 S   CT   _CA1     5     1.50128   135.55461   114.69368
    6     5 S   HC   _HA1     6     1.09575   105.17222    91.20673
    7     5 S   CO3  _C1_     7     1.53710   112.45151   -28.95071
    8     7 S   O2Z  _O11     8     1.26358   115.00561   -41.87746
    9     7 S   O2Z  _O12     9     1.26222   114.98648   137.21578
   10     5 S   CT   _CB1    10     1.53073   107.39817  -150.85342
   11    10 S   HC   HB11    11     1.09832   109.22451   -49.86263
   12    10 S   HC   HB12    12     1.09815   110.50643    66.71754
   13    10 S   CT   _CG1    13     1.52991   112.67832  -170.87917
   14    13 S   HC   HG11    14     1.09486   110.58199   -67.68599
   15    13 S   HC   HG12    15     1.09674   109.80859    51.50364
   16    13 S   C    _CD1    16     1.51809   112.21212   171.79259
   17    16 S   O    _OE1    17     1.22735   123.26396     6.54925
   18    16 S   N    _N2_    18     1.38619   111.71165  -173.16172
   19    18 S   H    _HN2    19     1.01609   118.95411    -0.06256
   20    18 S   CT1  _CA2    20     1.46272   123.41290   175.55988
   21    20 S   HC   _HA2    21     1.09737   109.42207     1.38395
   22    20 S   C    _C2_    22     1.53543   108.47368  -113.96349
   23    22 S   O    _O2_    23     1.23051   122.33586  -147.95327
   24    20 S   CT   _CB2    32     1.53175   111.41260   123.60090
   25    24 S   HC   HB21    33     1.09458   109.87550    55.74546
   26    24 S   HC   HB22    34     1.09513   110.73358   173.99645
   27    22 S   N    _N3_    24     1.38354   113.64933    39.59682
   28    27 S   H    _HN3    25     1.01586   119.56705    -3.52576
   29    24 S   S    _SG2    35     1.82836   111.20985   -67.24317
   30    27 S   CT   _CA3    26     1.45281   123.22176   177.05875
   31    30 S   HC   HA31    27     1.09550   107.54584   -63.65911
   32    30 S   HC   HA32    28     1.09556   107.94355    52.77367
   33    29 S   CT   _C22    36     1.84698    99.96602   140.96955
   34    33 S   HC   _H4_    37     1.09840   107.73171    37.06695
   35    30 S   CO3  _C3_    29     1.52960   114.07702   174.74387
   36    35 S   O2Z  _O31    30     1.26376   116.06938    -0.53741
   37    35 S   O2Z  _O32    31     1.26430   114.41432   179.50663
   38    33 S   CO4  _C23    38     1.51951   106.74566   -79.77060
   39    38 S   O    _O36    39     1.23291   120.41239    92.61276
   40    38 S   CM   _C18    40     1.50216   119.04691   -84.60908
   41    40 S   CM   _C19    41     1.35267   120.33996   -16.10941
   42    41 S   CM   _C14    42     1.47414   118.89529   178.04716
   43    41 S   CO4  _C20    69     1.50598   120.30938     5.91148
   44    43 S   O    _O35    70     1.23439   119.96352   159.19224
   45    42 S   CO4  _C15    43     1.50343   112.95334   -33.89325
   46    45 S   O    _O39    44     1.22270   124.51087  -135.07102
   47    42 S   CM   _C12    50     1.35385   127.70864   143.90594
   48    33 S   CT   _C21    71     1.53787   110.86266   157.11759
   49    48 S   OM   _O37    72     1.32276   109.42542  -170.88316
   50    48 S   HC   _H3_    73     1.10086   106.81345   -40.91154
   51    45 S   CM   _C16    45     1.48131   113.41999    44.16427
   52    51 S   HC   _H7_    46     1.08277   118.49855   154.91311
   53    47 S   CO4  _C13    51     1.49452   123.15885  -178.97435
   54    53 S   O    _O34    52     1.22393   123.23130    38.89852
   55    40 S   CM   _C17    47     1.46916   120.19019   158.35209
   56    53 S   CA   _C8_    53     1.48314   116.15722  -144.01171
   57    55 S   OH   _O38    48     1.38170   119.10530    19.27358
   58    57 S   HO   _H8_    49     0.97316   109.05102     3.37098
   59    56 S   CA   _C9_    54     1.40270   120.43308   -19.09066
   60    59 S   CA   _C4_    55     1.40105   120.51565   179.48642
   61    60 S   HA   _H5_    56     1.08699   120.66446   179.87646
   62    59 S   CO4  _C10    65     1.47590   120.93374    -1.90844
   63    62 S   O    _O33    66     1.22121   122.78999  -178.12685
   64    60 S   CA   _C5_    57     1.39266   119.46679     0.13417
   65    47 S   CO4  _C11    67     1.48406   121.71909    -3.56672
   66    65 S   O    _O40    68     1.21912   125.16796   -40.01436
   67    64 S   CA   _C6_    58     1.39072   120.82740     0.17246
   68    67 S   HA   _H6_    59     1.08691   120.17289   179.94766
   69    64 S   OH   _O42    63     1.36628   121.05207  -180.00000
   70    69 S   HO   _H10    64     0.97252   108.76479     0.21214
   71    56 S   CA   _C7_    60     1.40396   120.63724   160.87309
   72    71 S   OH   _O41    61     1.36939   123.34301    -0.15066
   73    72 S   HO   _H9_    62     0.97402   109.19147     3.10854
  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
  11   7   2   1   1  11   4  12  14  15   7   3   8   4  10   2
   1   1   4   2  10   4   2  12   1   1  11  10   4   5   2   6
   1   1   6   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    43    44    48    49    50  
   38    39    40    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    51    55    57    43    48    49    50  
   40    41    55    48  
   41    42    45    51    52    55    57    58    47    43    44    48  
   42    45    46    51    55    57    47    53    65    43    44    48    49    50  
   45    46    51    52    55    47    53    54    56    62    65    66    43    44    48  
   44    48    49    50    45    47    55  
   48    49    50  
   46    51    52    55    57    47    53    65  
   51    52    55    47  
   53    54    56    59    71    62    63    65    66    51  
   49    50  
   50  
    0  
   52    55    57    58  
   55    57  
   54    56    59    60    67    71    72    62    65    66  
   56    59    71    65  
   57    58  
   59    60    61    64    67    68    71    72    73    62    63    65  
   58  
    0  
   60    61    64    67    71    72    69    62    63    65    66  
   61    64    67    68    71    69    70    62    63    65  
   64    67    69    62  
   63    65    66    64    71  
   65    66  
   67    68    71    72    69    70  
   66  
    0  
   68    71    72    73    69    70  
   71    72    69  
   70    71  
    0  
   72    73  
   73  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    55   380.000  1.444
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   320.000  1.462
   42    47   549.000  1.340
   45    46   570.000  1.229
   45    51   320.000  1.462
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    57   510.000  1.338
   57    58   553.000  0.945
   47    53   320.000  1.462
   47    65   320.000  1.462
   53    54   570.000  1.229
   53    56   310.000  1.470
   56    59   469.000  1.400
   56    71   469.000  1.400
   59    60   469.000  1.400
   59    62   310.000  1.470
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    69   450.000  1.364
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   69    70   553.000  0.945
   62    63   570.000  1.229
   62    65   250.000  1.523
   65    66   570.000  1.229
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   570.000  1.307
   48    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    63.00000  111.10000
   33    48    49    50.00000  109.50000
   33    48    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    55    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    55    51    70.00000  123.01800
   40    55    57    80.00000  121.38400
   41    42    45    65.00000  118.96000
   41    42    47    70.00000  123.01800
   41    43    44    80.00000  123.72100
   41    43    48    65.00000  118.62400
   42    45    46    80.00000  123.72100
   42    45    51    65.00000  118.65900
   42    47    53    65.00000  118.96000
   42    47    65    65.00000  118.96000
   45    51    52    40.00000  117.72500
   45    51    55    65.00000  118.96000
   51    45    46    80.00000  123.72100
   51    55    57    80.00000  121.38400
   55    40    41    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    57    58    70.00000  107.45700
   47    42    45    65.00000  118.96000
   47    53    54    80.00000  123.72100
   47    53    56    65.00000  117.02400
   47    65    62    65.00000  116.00000
   47    65    66    80.00000  123.72100
   53    56    59    60.00000  119.52600
   53    56    71    60.00000  119.52600
   56    53    54    75.00000  123.78400
   56    59    60    63.00000  120.00000
   56    59    62    60.00000  119.52600
   56    71    67    63.00000  120.00000
   56    71    72    70.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    75.00000  123.78400
   59    62    65    60.00000  117.28700
   60    64    67    63.00000  120.00000
   60    64    69    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    69    70    35.00000  113.00000
   67    71    72    70.00000  120.00000
   71    56    59    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  113.00000
   69    64    67    70.00000  120.00000
   62    59    60    60.00000  119.52600
   62    65    66    80.00000  119.30300
   65    47    53    65.00000  115.30000
   65    62    63    80.00000  119.30300
   43    41    42    65.00000  118.96000
   43    48    49    90.00000  108.74100
   43    48    50    35.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   50    48    49    45.00000  125.66300
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    55  -0.33500  1.0 1.0
   33    38    40    55   1.06600 -1.0 2.0
   33    38    40    55  -0.14000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43  -0.11250  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.09450  1.0 1.0
   38    33    48    49  -1.12950 -1.0 2.0
   38    33    48    49   0.54000  1.0 3.0
   38    33    48    50  -0.11250  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    55    51  -0.18600  1.0 3.0
   38    40    55    57   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    55   1.00000 -1.0 2.0
   40    41    42    45  -0.18600  1.0 3.0
   40    41    42    47   0.28850  1.0 1.0
   40    41    42    47   2.61350 -1.0 2.0
   40    41    42    47   0.78400  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    48  -0.33500  1.0 1.0
   40    41    43    48   1.06600 -1.0 2.0
   40    41    43    48  -0.14000  1.0 3.0
   40    55    57    58  -0.66100  1.0 1.0
   40    55    57    58   1.20850 -1.0 2.0
   40    55    57    58  -0.36000  1.0 3.0
   41    40    55    51   0.28850  1.0 1.0
   41    40    55    51   2.61350 -1.0 2.0
   41    40    55    51   0.78400  1.0 3.0
   41    40    55    57   0.50950  1.0 1.0
   41    40    55    57   0.56650 -1.0 2.0
   41    40    55    57   0.34050  1.0 3.0
   41    42    45    46   1.00000 -1.0 2.0
   41    42   -45    51  -1.18350  1.0 1.0
   41    42   -45    51   1.45950 -1.0 2.0
   41    42    47    53   7.00000 -1.0 2.0
   41    42    47    65   7.00000 -1.0 2.0
   41    43   -48    33   0.65300  1.0 1.0
   41    43   -48    33  -0.03850 -1.0 2.0
   41    43   -48    33   0.33900  1.0 3.0
   41    43    48    49   0.65300  1.0 1.0
   41    43    48    49  -0.03850 -1.0 2.0
   41    43    48    49   0.33900  1.0 3.0
   41    43    48    50   0.00000  1.0 1.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    48  -0.33500  1.0 1.0
   42    41    43    48   1.06600 -1.0 2.0
   42    41    43    48  -0.14000  1.0 3.0
   42    45    51    52   0.93700 -1.0 2.0
   42    45    51    55  -1.18350  1.0 1.0
   42    45    51    55   1.45950 -1.0 2.0
   42    47    53    54   1.00000 -1.0 2.0
   42    47    53    56  -1.65800  1.0 1.0
   42    47    53    56   0.77650 -1.0 2.0
   42    47    65    62   0.50400  1.0 1.0
   42    47    65    62   1.60000 -1.0 2.0
   42    47    65    62  -0.01800  1.0 3.0
   42    47    65    66   1.00000 -1.0 2.0
   45    42    47    53   7.00000 -1.0 2.0
   45    42    47    65   7.00000 -1.0 2.0
   45    51   -55    40   7.00000 -1.0 2.0
   45    51    55    57   7.00000 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    55   1.00000 -1.0 2.0
   51    55    57    58  -0.66100  1.0 1.0
   51    55    57    58   1.20850 -1.0 2.0
   51    55    57    58  -0.36000  1.0 3.0
   52    51    55    40   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   55    40   -41    42   7.00000 -1.0 2.0
   55    40    41    43   7.00000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
   47    42    45    51  -1.18350  1.0 1.0
   47    42    45    51   1.45950 -1.0 2.0
   47    53    56    59  -0.11500  1.0 1.0
   47    53    56    59   1.10450 -1.0 2.0
   47    53    56    59  -0.48050  1.0 3.0
   47    53    56    71  -0.11500  1.0 1.0
   47    53    56    71   1.10450 -1.0 2.0
   47    53    56    71  -0.48050  1.0 3.0
   53    47    65    62   1.50000 -1.0 2.0
   53    47    65    66   2.50000 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56   -59    62   3.62500 -1.0 2.0
   53    56    71    67   3.62500 -1.0 2.0
   53    56    71    72   3.62500 -1.0 2.0
   54    53    56    59   1.05000 -1.0 2.0
   54    53    56    71   1.05000 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    64   3.62500 -1.0 2.0
   56    59    62    63   1.05000 -1.0 2.0
   56    59    62    65   0.56600 -1.0 2.0
   56    71    72    73   0.84100 -1.0 2.0
   59    56    71    67   3.62500 -1.0 2.0
   59    56    71    72   3.62500 -1.0 2.0
   59    60   -64    67   3.62500 -1.0 2.0
   59    60    64    69   3.62500 -1.0 2.0
   59    62   -65    47   0.43900  1.0 1.0
   59    62   -65    47  -0.18150 -1.0 2.0
   59    62   -65    47  -0.03650  1.0 3.0
   59    62    65    66   0.03000  1.0 1.0
   59    62    65    66   0.58800 -1.0 2.0
   59    62    65    66   0.15550  1.0 3.0
   60    59    62    63   1.05000 -1.0 2.0
   60    59    62    65   0.56600 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64    69    70   0.84100 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    67   -71    56   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   67    64    69    70   0.84100 -1.0 2.0
   67    71    72    73   0.84100 -1.0 2.0
   68    67    71    56   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    56   -59    60   3.62500 -1.0 2.0
   71    56    59    62   3.62500 -1.0 2.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    71   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   63    62    65    47   0.03000  1.0 1.0
   63    62    65    47   0.58800 -1.0 2.0
   63    62    65    47   0.15550  1.0 3.0
   63    62    65    66   0.06100 -1.0 2.0
   65    47    53    54   2.50000 -1.0 2.0
   65    47   -53    56   1.50000 -1.0 2.0
   43    41    42    45   1.08500 -1.0 2.0
   43    41    42    47  -0.18600  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.30150 -1.0 2.0
   44    43    48    50   0.00000  1.0 1.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    55    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    45    42    47   1.10000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   45    52    51    55   1.10000 -1.0 2.0
   40    57    55    51   1.10000 -1.0 2.0
   53    65    47    42   1.10000 -1.0 2.0
   47    56    53    54  10.50000 -1.0 2.0
   59    71    56    53   4.00000 -1.0 2.0
   60    62    59    56   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   67    69    64    60   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   67    72    71    56   4.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   47    62    65    66  10.50000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
