* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    200     387
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072   104.67396   -33.44970
    3     1 S   H    _H1_     3     1.02076    67.84728    71.05084
    4     1 S   H    _H2_     4     1.02094    45.01008  -135.39520
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80685    98.61562   161.82378
   34    33 S   HC   _H18    37     1.09298   109.38083   -59.34474
   35    33 S   HC   _H19    38     1.09178   109.50311    59.08807
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C6_    39     1.48924   109.96791  -179.97202
   40    39 S   CM   _C5_    40     1.35193   126.89672  -104.66496
   41    40 S   C    _C10    41     1.50439   105.73137   179.96574
   42    41 S   O    _O34    42     1.21774   125.75744   180.00000
   43    40 S   CT   _C4_    73     1.48084   132.61865     0.27836
   44    43 S   HC   _H4_    74     1.09451   110.45904    89.94704
   45    43 S   HC   _H5_    75     1.09447   110.42582   -30.22725
   46    43 S   HC   _H6_    76     1.09460   110.41151  -149.86936
   47    41 S   N    _N5_    43     1.40546   105.14000     0.01978
   48    47 S   C    _C9_    44     1.40365   142.30741  -179.94065
   49    48 S   O    _O33    45     1.21837   129.09884     0.02798
   50    48 S   CM   _C8_    46     1.50412   105.14210  -179.97202
   51    50 S   CM   _C7_    47     1.35151   105.74750    -0.00000
   52    50 S   CT   _C11    69     1.48076   121.64279   179.82641
   53    52 S   HC   _H7_    70     1.09408   110.47970   -89.81006
   54    52 S   HC   _H8_    71     1.09491   110.45936   149.99790
   55    52 S   HC   _H9_    72     1.09412   110.46076    30.39968
   56    39 S   NE   _N4_    48     1.37526   122.38205    75.35152
   57    51 S   CT   _C12    49     1.48841   126.91912  -179.95154
   58    57 S   HC   _H10    50     1.09240   109.83340   135.02389
   59    57 S   HC   _H11    51     1.09198   110.01715    15.97601
   60    57 S   S    _S1_    52     1.80755   109.95086  -104.67195
   61    60 S   CT   _C13    53     1.80880    98.60408  -179.96574
   62    61 S   HC   _H12    54     1.09520   107.48910    60.02577
   63    61 S   HC   _H13    55     1.09513   107.54988   -55.36680
   64    61 S   CT1  _C14    56     1.53176   113.55786  -177.86412
   65    64 S   HC   _H3_    57     1.09843   106.73334   175.59709
   66    64 S   CO3  _C15    58     1.54192   115.98968    59.35866
   67    66 S   O2Z  _O36    59     1.26489   115.32457    25.83859
   68    66 S   O2Z  _O35    60     1.26366   115.78996  -152.71989
   69    64 S   N    _N6_    61     1.44827   111.13046   -70.89390
   70    69 S   H    _H14    62     1.01453   118.46209    95.09588
   71    69 S   C    _C16    63     1.38087   123.06911   -84.82519
   72    71 S   O    _O37    64     1.22524   126.53336    -0.06561
   73    71 S   CT   _C17    65     1.49265   113.91457   179.92087
   74    73 S   HC   _H15    66     1.10152   112.48044    90.00559
   75    73 S   HC   _H16    67     1.10192   112.41206  -151.30913
   76    73 S   HC   _H17    68     1.10217   115.36043   -30.74483
  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   6   5   4   3
   9   4   3   2   1   1  13  10  11   4   5   2   1   1   7   9
   4  10  10   5   2   1   1   4   7   3   2   7  10   5   4   9
   6   5   2   1   7   3   5   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    51    56    43  
   35    39    40    56  
   39    40    56  
   37    38  
   38  
    0  
   40    41    42    47    48    50    51    56    57    43    44    45    46  
   41    42    47    48    51    56    43    44    45    46  
   42    47    48    49    50    51    56    43    44    45    46  
   47    48    56    43  
   44    45    46    47    56  
   45    46  
   46  
    0  
   48    49    50    51    56    57    52  
   49    50    51    56    57    52    53    54    55  
   50    51    56    52  
   51    56    57    58    59    60    52    53    54    55  
   56    57    58    59    60    61    52    53    54    55  
   53    54    55    56    57  
   54    55  
   55  
    0  
   57    58    59    60  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    69  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69  
   69  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.125000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.036000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   61   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    56   425.000  1.378
   40    41   410.000  1.444
   40    43   317.000  1.510
   41    42   570.000  1.229
   41    47   490.000  1.335
   47    48   490.000  1.335
   47    56   270.000  1.380
   48    49   570.000  1.229
   48    50   410.000  1.444
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    56   425.000  1.378
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   222.000  1.810
   60    61   222.000  1.810
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   337.000  1.449
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   434.000  1.010
   69    71   490.000  1.335
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    56    75.00000  116.24600
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    70.00000  118.70000
   39    40    43    70.00000  124.00000
   39    56    47   100.00000  118.68000
   39    56    51    75.00000  118.45600
   40    41    42    80.00000  125.30000
   40    41    47    80.00000  111.56200
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   41    47    48    70.00000  121.37400
   41    47    56    75.00000  118.91700
   47    41    42    80.00000  122.90000
   47    48    49    80.00000  122.90000
   47    48    50    80.00000  111.56200
   47    56    51   100.00000  118.68000
   48    50    51    70.00000  118.70000
   48    50    52    70.00000  119.70000
   50    48    49    80.00000  125.30000
   50    51    56    70.00000  124.03900
   50    51    57    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    75.00000  112.20000
   56    39    40    70.00000  124.03900
   56    47    48    75.00000  118.91700
   57    51    56    75.00000  116.24600
   57    60    61    62.00000   98.90000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    75.00000  108.68000
   61    64    65    37.50000  110.70000
   61    64    66    63.00000  111.10000
   61    64    69    80.00000  109.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    38.00000  118.40000
   64    69    71    50.00000  121.90000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    35.00000  109.50000
   69    64    66    63.00000  110.10000
   69    71    72    80.00000  122.90000
   69    71    73    70.00000  116.60000
   71    69    70    35.00000  119.80000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    50    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   43    40    41    70.00000  119.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    56   0.09700  1.0 1.0
   29    33    39    56   0.15600 -1.0 2.0
   29    33    39    56  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    43   7.00000 -1.0 2.0
   33    39    56    47   1.00000 -1.0 2.0
   33    39    56    51   1.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    56  -0.18050  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    56  -0.18050  1.0 3.0
   39    40    41    42   1.00000 -1.0 2.0
   39    40   -41    47   0.49500  1.0 1.0
   39    40   -41    47   1.31600 -1.0 2.0
   39    40   -41    47  -0.02300  1.0 3.0
   39    40    43    44   0.00000  1.0 1.0
   39    40    43    45   0.00000  1.0 1.0
   39    40    43    46   0.00000  1.0 1.0
   40    39   -56    47  -0.94800  1.0 1.0
   40    39   -56    47   2.88400 -1.0 2.0
   40    39    56    51  -0.54500  1.0 1.0
   40    39    56    51   1.14150 -1.0 2.0
   40    41    47    48   2.45000 -1.0 2.0
   40    41   -47    56   2.45000 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   41    47    48    49   2.22250 -1.0 2.0
   41    47    48    50   2.45000 -1.0 2.0
   41    47   -56    39   0.00000  1.0 1.0
   41    47    56    51   0.00000  1.0 1.0
   42    41    47    48   2.22250 -1.0 2.0
   42    41    47    56   2.45000 -1.0 2.0
   47    48   -50    51   0.49500  1.0 1.0
   47    48   -50    51   1.31600 -1.0 2.0
   47    48   -50    51  -0.02300  1.0 3.0
   47    48    50    52   1.59650  1.0 1.0
   47    48    50    52   0.42750 -1.0 2.0
   47    48    50    52  -0.48350  1.0 3.0
   48    47    56    39   0.00000  1.0 1.0
   48    47   -56    51   0.00000  1.0 1.0
   48    50   -51    56   7.00000 -1.0 2.0
   48    50    51    57   7.00000 -1.0 2.0
   48    50    52    53   0.15000  1.0 3.0
   48    50    52    54   0.15000  1.0 3.0
   48    50    52    55   0.15000  1.0 3.0
   49    48    50    51   1.00000 -1.0 2.0
   49    48    50    52  -0.64400  1.0 1.0
   49    48    50    52   0.26850 -1.0 2.0
   50    51    56    39  -0.54500  1.0 1.0
   50    51    56    39   1.14150 -1.0 2.0
   50    51   -56    47  -0.94800  1.0 1.0
   50    51   -56    47   2.88400 -1.0 2.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.42700  1.0 1.0
   50    51    57    60  -0.70350 -1.0 2.0
   50    51    57    60  -0.43150  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   51    57    60    61  -0.62250  1.0 1.0
   51    57    60    61  -0.38450 -1.0 2.0
   51    57    60    61   0.81900  1.0 3.0
   56    39   -40    41   7.00000 -1.0 2.0
   56    39    40    43   7.00000 -1.0 2.0
   56    47    48    49   2.45000 -1.0 2.0
   56    47   -48    50   2.45000 -1.0 2.0
   56    51    57    58  -0.18050  1.0 3.0
   56    51    57    59  -0.18050  1.0 3.0
   56    51    57    60   0.09700  1.0 1.0
   56    51    57    60   0.15600 -1.0 2.0
   56    51    57    60  -0.50800  1.0 3.0
   57    51    56    39   1.00000 -1.0 2.0
   57    51    56    47   1.00000 -1.0 2.0
   57    60    61    62   0.32350  1.0 3.0
   57    60    61    63   0.32350  1.0 3.0
   57    60    61    64   0.01700  1.0 1.0
   57    60    61    64  -0.23550 -1.0 2.0
   57    60    61    64   0.21350  1.0 3.0
   58    57    60    61   0.32350  1.0 3.0
   59    57    60    61   0.32350  1.0 3.0
   60    61    64    65   0.15000  1.0 3.0
   60    61    64    66  -2.17200  1.0 1.0
   60    61    64    66  -0.85700 -1.0 2.0
   60    61    64    69   0.71400  1.0 1.0
   60    61    64    69   0.04300 -1.0 2.0
   60    61    64    69   0.01450  1.0 3.0
   61    64    66    67   0.00000  1.0 1.0
   61    64    66    68   0.00000  1.0 1.0
   61    64    69    70   0.00000  1.0 1.0
   61    64    69    71   0.25950  1.0 1.0
   61    64    69    71   0.43850 -1.0 2.0
   61    64    69    71   2.61650  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66  -0.03800  1.0 3.0
   62    61    64    69   0.23200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66  -0.03800  1.0 3.0
   63    61    64    69   0.23200  1.0 3.0
   64    69    71    72   3.04450 -1.0 2.0
   64    69    71    73   1.15000  1.0 1.0
   64    69    71    73   3.04450 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71  -0.29800  1.0 1.0
   66    64    69    71   0.13950 -1.0 2.0
   66    64    69    71  -2.45650  1.0 3.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.00000  1.0 1.0
   70    69    71    72   2.45000 -1.0 2.0
   70    69    71    73   2.45000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   52    50    51    56   7.00000 -1.0 2.0
   52    50    51    57   7.00000 -1.0 2.0
   43    40    41    42  -0.64400  1.0 1.0
   43    40    41    42   0.26850 -1.0 2.0
   43    40    41    47   1.59650  1.0 1.0
   43    40    41    47   0.42750 -1.0 2.0
   43    40    41    47  -0.48350  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
   37    30    36    38  10.50000 -1.0 2.0
   33    56    39    40   1.10000 -1.0 2.0
   41    43    40    39   1.10000 -1.0 2.0
   40    47    41    42  10.50000 -1.0 2.0
   56    41    47    48   1.00000 -1.0 2.0
   47    50    48    49  10.50000 -1.0 2.0
   48    52    50    51   1.10000 -1.0 2.0
   57    56    51    50   1.10000 -1.0 2.0
   51    39    56    47   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   70    71    69    64   1.00000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
END
