* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    240     436
    1     0 S   NP   _N1_     1    28.72424    95.60445   -23.90452
    2     1 S   H    _HN1     2     1.02949    77.26446    10.33550
    3     1 S   H    _H1_     3     1.02828    31.71045   170.16309
    4     1 S   H    _H2_     4     1.02786   108.20143   -95.07362
    5     1 S   CT   _CA1     5     1.50116   133.10568   116.47474
    6     5 S   HC   _HA1     6     1.09572   105.19116    86.19685
    7     5 S   CO3  _C1_     7     1.53788   112.45761   -34.04488
    8     7 S   O2Z  _O11     8     1.26375   115.00484   -42.50371
    9     7 S   O2Z  _O12     9     1.26238   114.95127   136.60053
   10     5 S   CT   _CB1    10     1.53074   107.41706  -155.80738
   11    10 S   HC   HB11    11     1.09834   109.38490   -49.49278
   12    10 S   HC   HB12    12     1.09813   110.44453    67.11880
   13    10 S   CT   _CG1    13     1.52993   112.60715  -170.45326
   14    13 S   HC   HG11    14     1.09579   110.65405   -65.71627
   15    13 S   HC   HG12    15     1.09669   109.77157    53.52137
   16    13 S   C    _CD1    16     1.51798   112.17971   173.99668
   17    16 S   O    _OE1    17     1.22737   123.27128     7.97324
   18    16 S   N    _N2_    18     1.38646   111.70531  -172.15072
   19    18 S   H    _HN2    19     1.01582   118.96875     1.60157
   20    18 S   CT1  _CA2    20     1.46198   123.39184   177.59841
   21    20 S   HC   _HA2    21     1.09737   109.34936     4.26691
   22    20 S   C    _C2_    22     1.53582   108.74017  -111.27259
   23    22 S   O    _O2_    23     1.23072   122.23997  -148.37543
   24    20 S   CT   _CB2    32     1.53413   111.59396   126.24820
   25    24 S   HC   HB21    33     1.09485   109.65264    56.69051
   26    24 S   HC   HB22    34     1.09411   109.87249   175.42585
   27    22 S   N    _N3_    24     1.38312   113.77915    39.08460
   28    27 S   H    _HN3    25     1.01574   119.60746    -3.25943
   29    24 S   S    _SG2    35     1.83006   111.23901   -64.15250
   30    27 S   CT   _CA3    26     1.45284   123.22320   177.15683
   31    30 S   HC   HA31    27     1.09548   107.51166   -64.67665
   32    30 S   HC   HA32    28     1.09557   107.98552    51.76406
   33    29 S   CT   _C9_    36     1.85637   101.07925  -174.66843
   34    30 S   CO3  _C3_    29     1.52963   114.07834   173.77471
   35    34 S   O2Z  _O31    30     1.26377   116.07882    -0.23239
   36    34 S   O2Z  _O32    31     1.26429   114.40863   179.82086
   37    33 S   CT   _C8_    37     1.55974   108.66329    66.48767
   38    37 S   HC   _H12    38     1.09721   111.63672    11.28936
   39    37 S   HC   _H13    39     1.09625   112.23715  -107.55653
   40    33 S   CT   _C14    51     1.58377   115.48017  -175.85442
   41    37 S   CT   _C7_    40     1.53427   107.47475   131.09799
   42    41 S   HC   _H3_    41     1.09565   109.87744    93.22133
   43    40 S   CM   _C12    52     1.54443   103.03890   141.49593
   44    40 S   CT   _C17    64     1.53679   116.81928    20.33051
   45    44 S   HC   _H18    65     1.09431   112.49782   -59.64982
   46    44 S   HC   _H19    66     1.09608   111.29028  -178.50341
   47    44 S   HC   _H20    67     1.09533   111.70686    61.52132
   48    41 S   CT   _C6_    42     1.53282   114.03059  -142.01240
   49    48 S   HC   _H10    43     1.09660   108.55422  -139.99002
   50    48 S   HC   _H11    44     1.09604   111.21135   -23.24341
   51    43 S   CT   _C11    53     1.50636   110.49848     3.95206
   52    51 S   HC   _H5_    54     1.09542   109.46290    91.68926
   53    43 S   CM   _C13    61     1.34183   125.50837  -174.05070
   54    53 S   HC   _H14    62     1.08426   121.64990    -1.90207
   55    53 S   HC   _H15    63     1.08500   121.23567   179.13589
   56    48 S   CT   _C5_    45     1.54561   106.44770    99.65875
   57    33 S   CT   _C10    55     1.55164   110.98840   -57.35094
   58    57 S   HC   _H4_    56     1.09512   112.70327    79.15951
   59    51 S   OH   _O33    59     1.41630   112.91658  -147.23764
   60    59 S   HO   _H21    60     0.97228   107.51372   163.23178
   61    56 S   CT   _C16    46     1.53696   104.95897   -10.34068
   62    61 S   HC   _H16    47     1.09519   110.33984   -88.19587
   63    61 S   HC   _H17    48     1.09481   113.50034   152.22129
   64    57 S   OH   _O34    57     1.43021   112.73131   -41.70848
   65    64 S   HO   _H22    58     0.97167   108.57916   -66.34349
   66    56 S   CO3  _C18    68     1.55773   108.72659   113.11193
   67    66 S   O2Z  _O36    69     1.26326   116.09873  -118.90804
   68    66 S   O2Z  _O35    70     1.26598   115.43114    60.99668
   69    56 S   CT   _C4_    71     1.53132   111.90361  -130.43481
   70    69 S   HC   _H7_    72     1.09607   111.12846    61.72829
   71    69 S   HC   _H8_    73     1.09587   112.05676   -57.98022
   72    69 S   HC   _H9_    74     1.09608   111.01881  -178.39246
   73    41 S   CT   _C15    49     1.52472   104.40393   -26.93782
   74    73 S   HC   _H6_    50     1.09782   110.31116   157.24239
  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  13   5   4   3
  23   2   1   1  18   7   6  23  15   7  17   9   3   2   1  15
   6   5  11   6   5   1   1  12   6   3   2   1  11   5   4   1
   1   7   2   1   4   2   1   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    40    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    73    40    43    51    57    58    64    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    48    61    73    74    40    43    51    52    57    58    64    65    59    53    44    45    46    47  
   35    36  
   36  
    0  
   38    39    41    42    48    49    50    56    61    73    74    40    43    51    57    58    64    44  
   39    41    42    48    73    40    57  
   41    42    48    73    40    57  
   43    51    52    57    58    64    59    53    54    55    44    45    46    47    41    42    48    56    61    62    63    73    74  
   42    48    49    50    56    61    62    63    73    74    43    57    44    66    69  
   48    49    50    56    61    73    74  
   51    52    57    58    64    59    60    53    54    55    44    45    46    47    61    73    74  
   45    46    47    51    53    57    61    73    74  
   46    47    73  
   47    73  
   73  
   49    50    56    61    62    63    73    74    66    67    68    69    70    71    72  
   50    56    61    73    66    69  
   56    61    73    66    69  
   52    57    58    64    65    59    60    53    54    55    73  
   57    58    64    59    60    53  
   54    55    57    59    73  
   55  
    0  
   61    62    63    73    74    66    67    68    69    70    71    72  
   58    64    65    59    60    73  
   64    65    59  
   60    64  
    0  
   62    63    73    74    66    67    68    69    70    71    72  
   63    73    74    66    69  
   73    74    66    69  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69  
   69  
   70    71    72    73  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    57   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   268.000  1.529
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    73   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    61   268.000  1.529
   56    66   317.000  1.522
   56    69   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    73   268.000  1.529
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    51   317.000  1.510
   43    53   549.000  1.340
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   59    60   553.000  0.945
   53    54   340.000  1.080
   53    55   340.000  1.080
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    43    70.00000  112.02700
   33    40    44    58.35000  112.70000
   33    57    51    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    41    73    58.35000  112.70000
   39    37    38    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    56    58.35000  112.70000
   41    73    61    58.35000  112.70000
   41    73    74    37.50000  110.70000
   41    73    40    58.35000  112.70000
   48    41    42    37.50000  110.70000
   48    56    61    58.35000  112.70000
   48    56    66    70.00000  109.69300
   48    56    69    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    73    58.35000  112.70000
   56    66    67    70.00000  117.00000
   56    66    68    70.00000  117.00000
   56    69    70    37.50000  110.70000
   56    69    71    37.50000  110.70000
   56    69    72    37.50000  110.70000
   61    73    74    37.50000  110.70000
   61    73    40    58.35000  112.70000
   63    61    62    33.00000  107.80000
   73    41    42    37.50000  110.70000
   73    41    48    58.35000  112.70000
   73    61    62    37.50000  110.70000
   73    61    63    37.50000  110.70000
   73    40    43    70.00000  112.02700
   73    40    44    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    43    51    65.00000  117.92700
   40    43    53    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   43    51    52    35.00000  109.50000
   43    51    57    70.00000  112.02700
   43    51    59    90.00000  110.39200
   43    53    54    35.00000  120.00000
   43    53    55    35.00000  120.00000
   51    57    58    37.50000  110.70000
   51    57    64    50.00000  109.50000
   51    59    60    55.00000  108.50000
   57    33    37    58.35000  112.70000
   57    33    40    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   59    51    52    35.00000  109.50000
   59    51    57    50.00000  109.50000
   53    43    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
   44    40    43    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    56    61    70.00000  109.69300
   68    66    67    80.00000  126.00000
   69    56    61    58.35000  112.70000
   69    56    66    70.00000  109.69300
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    57    51   0.44750  1.0 1.0
   29    33    57    51  -0.17800 -1.0 2.0
   29    33    57    51   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   0.20000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    48   0.56750  1.0 1.0
   33    37    41    48  -0.07550 -1.0 2.0
   33    37    41    48   0.20000  1.0 3.0
   33    37   -41    73   0.56750  1.0 1.0
   33    37   -41    73  -0.07550 -1.0 2.0
   33    37   -41    73   0.20000  1.0 3.0
   33    40   -43    51   0.46850  1.0 1.0
   33    40   -43    51   0.08550 -1.0 2.0
   33    40   -43    51   0.09800  1.0 3.0
   33    40    43    53   0.09850  1.0 1.0
   33    40    43    53   0.15250 -1.0 2.0
   33    40    43    53  -0.50650  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   33    57    64    65  -0.11600  1.0 1.0
   33    57    64    65  -0.09450 -1.0 2.0
   33    57    64    65   0.21250  1.0 3.0
   37    33   -40    73   0.56750  1.0 1.0
   37    33   -40    73  -0.07550 -1.0 2.0
   37    33   -40    73   0.20000  1.0 3.0
   37    33    40    43   0.34400  1.0 1.0
   37    33    40    43   0.09450 -1.0 2.0
   37    33    40    43   0.11100  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    33    57    51   0.56750  1.0 1.0
   37    33    57    51  -0.07550 -1.0 2.0
   37    33    57    51   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    64   0.86500  1.0 1.0
   37    33    57    64  -0.17500 -1.0 2.0
   37    33    57    64   0.20800  1.0 3.0
   37    41    48    49   0.15000  1.0 3.0
   37    41    48    50   0.15000  1.0 3.0
   37    41    48    56   0.56750  1.0 1.0
   37    41    48    56  -0.07550 -1.0 2.0
   37    41    48    56   0.20000  1.0 3.0
   37    41    73    61   0.56750  1.0 1.0
   37    41    73    61  -0.07550 -1.0 2.0
   37    41    73    61   0.20000  1.0 3.0
   37    41    73    74   0.15000  1.0 3.0
   37    41   -73    40   0.56750  1.0 1.0
   37    41   -73    40  -0.07550 -1.0 2.0
   37    41   -73    40   0.20000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    48   0.15000  1.0 3.0
   38    37    41    73   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    48   0.15000  1.0 3.0
   39    37    41    73   0.15000  1.0 3.0
   41    48   -56    61   0.56750  1.0 1.0
   41    48   -56    61  -0.07550 -1.0 2.0
   41    48   -56    61   0.20000  1.0 3.0
   41    48    56    66  -1.63150  1.0 1.0
   41    48    56    66  -0.43550 -1.0 2.0
   41    48    56    66   0.24500  1.0 3.0
   41    48    56    69   0.56750  1.0 1.0
   41    48    56    69  -0.07550 -1.0 2.0
   41    48    56    69   0.20000  1.0 3.0
   41    73   -40    33   0.56750  1.0 1.0
   41    73   -40    33  -0.07550 -1.0 2.0
   41    73   -40    33   0.20000  1.0 3.0
   41    73    40    43   0.34400  1.0 1.0
   41    73    40    43   0.09450 -1.0 2.0
   41    73    40    43   0.11100  1.0 3.0
   41    73    40    44   0.56750  1.0 1.0
   41    73    40    44  -0.07550 -1.0 2.0
   41    73    40    44   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    56   0.15000  1.0 3.0
   42    41    73    61   0.15000  1.0 3.0
   42    41    73    74   0.15000  1.0 3.0
   42    41    73    40   0.15000  1.0 3.0
   48    41   -73    61   0.56750  1.0 1.0
   48    41   -73    61  -0.07550 -1.0 2.0
   48    41   -73    61   0.20000  1.0 3.0
   48    41    73    74   0.15000  1.0 3.0
   48    41    73    40   0.56750  1.0 1.0
   48    41    73    40  -0.07550 -1.0 2.0
   48    41    73    40   0.20000  1.0 3.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    63   0.15000  1.0 3.0
   48    56   -61    73   0.56750  1.0 1.0
   48    56   -61    73  -0.07550 -1.0 2.0
   48    56   -61    73   0.20000  1.0 3.0
   48    56    66    67   0.41150 -1.0 2.0
   48    56    66    68   0.41150 -1.0 2.0
   48    56    69    70   0.15000  1.0 3.0
   48    56    69    71   0.15000  1.0 3.0
   48    56    69    72   0.15000  1.0 3.0
   49    48    56    61   0.15000  1.0 3.0
   49    48    56    66  -0.11250  1.0 3.0
   49    48    56    69   0.15000  1.0 3.0
   50    48    56    61   0.15000  1.0 3.0
   50    48    56    66  -0.11250  1.0 3.0
   50    48    56    69   0.15000  1.0 3.0
   56    61   -73    41   0.56750  1.0 1.0
   56    61   -73    41  -0.07550 -1.0 2.0
   56    61   -73    41   0.20000  1.0 3.0
   56    61    73    74   0.15000  1.0 3.0
   56    61    73    40   0.56750  1.0 1.0
   56    61    73    40  -0.07550 -1.0 2.0
   56    61    73    40   0.20000  1.0 3.0
   61    56    66    67   0.41150 -1.0 2.0
   61    56    66    68   0.41150 -1.0 2.0
   61    56    69    70   0.15000  1.0 3.0
   61    56    69    71   0.15000  1.0 3.0
   61    56    69    72   0.15000  1.0 3.0
   61    73    40    33   0.56750  1.0 1.0
   61    73    40    33  -0.07550 -1.0 2.0
   61    73    40    33   0.20000  1.0 3.0
   61    73    40    43   0.34400  1.0 1.0
   61    73    40    43   0.09450 -1.0 2.0
   61    73    40    43   0.11100  1.0 3.0
   61    73    40    44   0.56750  1.0 1.0
   61    73    40    44  -0.07550 -1.0 2.0
   61    73    40    44   0.20000  1.0 3.0
   62    61    73    41   0.15000  1.0 3.0
   62    61    73    74   0.15000  1.0 3.0
   62    61    73    40   0.15000  1.0 3.0
   63    61    73    41   0.15000  1.0 3.0
   63    61    73    74   0.15000  1.0 3.0
   63    61    73    40   0.15000  1.0 3.0
   73    41    48    49   0.15000  1.0 3.0
   73    41    48    50   0.15000  1.0 3.0
   73    41   -48    56   0.56750  1.0 1.0
   73    41   -48    56  -0.07550 -1.0 2.0
   73    41   -48    56   0.20000  1.0 3.0
   73    40    43    51   0.46850  1.0 1.0
   73    40    43    51   0.08550 -1.0 2.0
   73    40    43    51   0.09800  1.0 3.0
   73    40    43    53   0.09850  1.0 1.0
   73    40    43    53   0.15250 -1.0 2.0
   73    40    43    53  -0.50650  1.0 3.0
   73    40    44    45   0.15000  1.0 3.0
   73    40    44    46   0.15000  1.0 3.0
   73    40    44    47   0.15000  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    43   0.15000  1.0 3.0
   74    73    40    44   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    41   0.56750  1.0 1.0
   40    33   -37    41  -0.07550 -1.0 2.0
   40    33   -37    41   0.20000  1.0 3.0
   40    33   -57    51   0.56750  1.0 1.0
   40    33   -57    51  -0.07550 -1.0 2.0
   40    33   -57    51   0.20000  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    64   0.86500  1.0 1.0
   40    33    57    64  -0.17500 -1.0 2.0
   40    33    57    64   0.20800  1.0 3.0
   40    43    51    52   0.34800  1.0 3.0
   40    43   -51    57   0.46850  1.0 1.0
   40    43   -51    57   0.08550 -1.0 2.0
   40    43   -51    57   0.09800  1.0 3.0
   40    43    51    59   0.18000  1.0 1.0
   40    43    51    59   0.16450 -1.0 2.0
   40    43    51    59   0.04450  1.0 3.0
   40    43    53    54   7.00000 -1.0 2.0
   40    43    53    55   7.00000 -1.0 2.0
   43    40    44    45   0.15000  1.0 3.0
   43    40    44    46   0.15000  1.0 3.0
   43    40    44    47   0.15000  1.0 3.0
   43    51   -57    33   0.34400  1.0 1.0
   43    51   -57    33   0.09450 -1.0 2.0
   43    51   -57    33   0.11100  1.0 3.0
   43    51    57    58   0.15000  1.0 3.0
   43    51    57    64   1.05650  1.0 1.0
   43    51    57    64   0.15600 -1.0 2.0
   43    51    57    64   0.53150  1.0 3.0
   43    51    59    60  -0.07800  1.0 1.0
   43    51    59    60  -0.21500 -1.0 2.0
   43    51    59    60  -0.03150  1.0 3.0
   51    43    53    54   7.00000 -1.0 2.0
   51    43    53    55   7.00000 -1.0 2.0
   51    57    64    65  -0.11600  1.0 1.0
   51    57    64    65  -0.09450 -1.0 2.0
   51    57    64    65   0.21250  1.0 3.0
   52    51    57    33   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    64   0.23400  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33    37    41   0.56750  1.0 1.0
   57    33    37    41  -0.07550 -1.0 2.0
   57    33    37    41   0.20000  1.0 3.0
   57    33    40    73   0.56750  1.0 1.0
   57    33    40    73  -0.07550 -1.0 2.0
   57    33    40    73   0.20000  1.0 3.0
   57    33   -40    43   0.34400  1.0 1.0
   57    33   -40    43   0.09450 -1.0 2.0
   57    33   -40    43   0.11100  1.0 3.0
   57    33    40    44   0.56750  1.0 1.0
   57    33    40    44  -0.07550 -1.0 2.0
   57    33    40    44   0.20000  1.0 3.0
   57    51    59    60  -0.11600  1.0 1.0
   57    51    59    60  -0.09450 -1.0 2.0
   57    51    59    60   0.21250  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   59    51    57    33   0.86500  1.0 1.0
   59    51    57    33  -0.17500 -1.0 2.0
   59    51    57    33   0.20800  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    64   3.75450  1.0 1.0
   53    43    51    52   0.00000  1.0 1.0
   53    43    51    57   0.09850  1.0 1.0
   53    43    51    57   0.15250 -1.0 2.0
   53    43    51    57  -0.50650  1.0 3.0
   53    43    51    59   0.67800  1.0 1.0
   53    43    51    59   0.47050 -1.0 2.0
   53    43    51    59  -0.62500  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    53   0.09850  1.0 1.0
   44    40    43    53   0.15250 -1.0 2.0
   44    40    43    53  -0.50650  1.0 3.0
   66    56    61    62  -0.11250  1.0 3.0
   66    56    61    63  -0.11250  1.0 3.0
   66    56    61    73  -1.63150  1.0 1.0
   66    56    61    73  -0.43550 -1.0 2.0
   66    56    61    73   0.24500  1.0 3.0
   66    56    69    70  -0.11250  1.0 3.0
   66    56    69    71  -0.11250  1.0 3.0
   66    56    69    72  -0.11250  1.0 3.0
   69    56    61    62   0.15000  1.0 3.0
   69    56    61    63   0.15000  1.0 3.0
   69    56    61    73   0.56750  1.0 1.0
   69    56    61    73  -0.07550 -1.0 2.0
   69    56    61    73   0.20000  1.0 3.0
   69    56    66    67   0.41150 -1.0 2.0
   69    56    66    68   0.41150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    51    43    53   1.10000 -1.0 2.0
   54    55    53    43   1.10000 -1.0 2.0
   67    56    66    68  10.50000 -1.0 2.0
END
