* LIGAND DATABASE FILE (OPLS2005)
*
001      61    63    107    174     312
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061    90.26204   -68.71537
    3     1 S   H    _H1_     3     1.02095    90.34002    39.99878
    4     1 S   H    _H2_     4     1.02114    32.83071   165.62935
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CA   _C14    36     1.79550    99.23034   149.97093
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C13    37     1.39204   121.42376   -89.95603
   38    37 S   CA   _C9_    38     1.39305   119.72847   179.97202
   39    37 S   CO3  _C17    59     1.47941   118.08123    -0.05935
   40    39 S   O2Z  _O40    60     1.28466   118.46876    90.05847
   41    39 S   O2Z  _O39    61     1.28465   118.50546   -89.96509
   42    38 S   CA   _C8_    39     1.39943   117.34796    -0.01978
   43    42 S   CO4  _C7_    40     1.48829   121.19396   179.97202
   44    43 S   O    _O34    41     1.22234   121.61184  -179.97202
   45    42 S   NB   _N5_    54     1.35297   124.32036    -0.00000
   46    43 S   CO4  _C6_    42     1.51701   120.57970    -0.00000
   47    46 S   O    _O33    43     1.21938   119.57386  -180.00000
   48    33 S   CA   _C15    55     1.38594   120.30983    89.99691
   49    46 S   C5BC _C5_    44     1.46666   115.97516     0.05595
   50    48 S   CO3  _C16    56     1.47967   121.28764     0.00000
   51    50 S   O2Z  _O38    57     1.28432   118.45918   -89.98558
   52    50 S   O2Z  _O37    58     1.28373   118.43792    89.96963
   53    49 S   C5BC _C4_    45     1.33636   129.27564   180.00000
   54    53 S   HA   _H3_    46     1.07343   130.58963    -0.03426
   55    53 S   C5A  _C11    47     1.47815   101.76838   179.97202
   56    55 S   NA   _N4_    48     1.28819   113.17878    -0.02798
   57    56 S   H    _H4_    49     1.01574   126.25102   180.00000
   58    55 S   CO3  _C12    51     1.47025   122.96724   179.91844
   59    58 S   O2Z  _O36    52     1.28320   116.87090   180.00000
   60    58 S   O2Z  _O35    53     1.28228   116.88348    -0.00000
   61    38 S   C5A  _C10    50     1.44660   125.01986   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  12   2   1   1  12  15   5   1   1  10   8   4   6   7   3   3
   7   2   1   1   8   4   6   5   2   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    48    50    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    61    45    48    50    51    52    39    40    41  
   35    36  
   36  
    0  
   38    42    43    49    56    61    45    48    50    39    40    41  
   42    43    44    46    49    53    55    56    57    61    45    48    39    40    41  
   40    41    42    48    61  
   41  
    0  
   43    44    46    47    49    56    61    45    48    50  
   44    46    47    49    53    61    45    48  
   46    47    49    45  
   48    50    51    52    46    61  
   47    49    53    54    55    56    61  
   49    53    61  
   50    51    52  
   53    54    55    56    57    61    58  
   51    52  
   52  
    0  
   54    55    56    57    61    58    59    60  
   55    56    61    58  
   56    57    61    58    59    60  
   57    61    58    59    60  
   61    58  
   59    60    61  
   60  
    0  
    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  -0.320000   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   3.5500   0.0700  -0.139500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.177000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.123000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   57   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.008000   2.5000   1.7750   0.001000000  -0.843144165
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   250.000  1.760
   33    37   469.000  1.400
   33    48   469.000  1.400
   37    38   469.000  1.400
   37    39   400.000  1.490
   38    42   469.000  1.400
   38    61   365.000  1.450
   42    43   310.000  1.470
   42    45   483.000  1.339
   43    44   570.000  1.229
   43    46   250.000  1.523
   46    47   570.000  1.229
   46    49   320.000  1.468
   49    53   469.000  1.424
   49    61   546.000  1.367
   53    54   367.000  1.080
   53    55   546.000  1.367
   55    56   427.000  1.381
   55    58   325.000  1.466
   56    57   434.000  1.010
   56    61   427.000  1.381
   58    59   656.000  1.250
   58    60   656.000  1.250
   45    48   483.000  1.339
   48    50   400.000  1.490
   50    51   656.000  1.250
   50    52   656.000  1.250
   39    40   656.000  1.250
   39    41   656.000  1.250
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    48    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    39    85.00000  120.00000
   33    48    45    70.00000  124.00000
   33    48    50    85.00000  120.00000
   37    38    42    63.00000  120.00000
   37    38    61    65.00000  121.65900
   37    39    40    80.00000  120.40000
   37    39    41    80.00000  120.40000
   38    42    43    60.00000  119.52600
   38    42    45    70.00000  124.00000
   38    61    49    55.00000  132.24500
   38    61    56    75.00000  120.22300
   42    43    44    75.00000  123.78400
   42    43    46    60.00000  117.28700
   42    45    48    70.00000  117.00000
   43    46    47    80.00000  119.30300
   43    46    49    60.00000  117.28700
   46    43    44    80.00000  119.30300
   46    49    53    50.00000  131.05000
   46    49    61    60.00000  121.69000
   49    46    47    80.00000  122.10000
   49    53    54    35.00000  127.50000
   49    53    55    70.00000  107.30000
   49    61    56    70.00000  107.70000
   53    55    56    70.00000  107.70000
   53    55    58    55.00000  130.80000
   55    53    54    35.00000  125.70000
   55    56    57    35.00000  120.00000
   55    56    61    70.00000  109.80000
   55    58    59    80.00000  120.87000
   55    58    60    80.00000  120.87000
   61    38    42    65.00000  121.65900
   61    49    53    70.00000  107.30000
   61    56    57    35.00000  120.00000
   58    55    56    70.00000  119.02500
   60    58    59    80.00000  126.00000
   45    42    43    75.00000  117.56100
   45    48    50    75.00000  117.56100
   48    33    37    63.00000  120.00000
   48    50    51    80.00000  120.40000
   48    50    52    80.00000  120.40000
   52    50    51    80.00000  126.00000
   39    37    38    85.00000  120.00000
   41    39    40    80.00000  126.00000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    48   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    48    45   3.62500 -1.0 2.0
   29    33    48    50   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    38    61   3.62500 -1.0 2.0
   33    37    39    40   1.05000 -1.0 2.0
   33    37    39    41   1.05000 -1.0 2.0
   33    48    50    51   1.05000 -1.0 2.0
   33    48    50    52   1.05000 -1.0 2.0
   37    33    48    45   3.62500 -1.0 2.0
   37    33    48    50   3.62500 -1.0 2.0
   37    38    42    43   3.62500 -1.0 2.0
   37    38   -42    45   3.62500 -1.0 2.0
   37    38    61    49  -0.19450  1.0 1.0
   37    38    61    49   0.63300 -1.0 2.0
   37    38    61    49   0.07450  1.0 3.0
   37    38    61    56  -0.20000  1.0 1.0
   37    38    61    56   0.58050 -1.0 2.0
   38    37    39    40   1.05000 -1.0 2.0
   38    37    39    41   1.05000 -1.0 2.0
   38    42    43    44   1.05000 -1.0 2.0
   38    42    43    46   0.56600 -1.0 2.0
   38    42    45    48   3.62500 -1.0 2.0
   42    38    61    49  -0.19450  1.0 1.0
   42    38    61    49   0.63300 -1.0 2.0
   42    38    61    49   0.07450  1.0 3.0
   42    38    61    56  -0.20000  1.0 1.0
   42    38    61    56   0.58050 -1.0 2.0
   42    43    46    47   0.03000  1.0 1.0
   42    43    46    47   0.58800 -1.0 2.0
   42    43    46    47   0.15550  1.0 3.0
   42    43   -46    49   0.43900  1.0 1.0
   42    43   -46    49  -0.18150 -1.0 2.0
   42    43   -46    49  -0.03650  1.0 3.0
   42    45   -48    33   3.62500 -1.0 2.0
   42    45    48    50   3.62500 -1.0 2.0
   43    42    45    48   3.62500 -1.0 2.0
   43    46    49    53   0.56600 -1.0 2.0
   43    46    49    61   0.56600 -1.0 2.0
   44    43    46    47   0.06100 -1.0 2.0
   44    43    46    49   0.03000  1.0 1.0
   44    43    46    49   0.58800 -1.0 2.0
   44    43    46    49   0.15550  1.0 3.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    55   3.62500 -1.0 2.0
   46    49   -61    38   3.62500 -1.0 2.0
   46    49    61    56   3.62500 -1.0 2.0
   47    46    49    53   1.05000 -1.0 2.0
   47    46    49    61   1.05000 -1.0 2.0
   49    53   -55    56   3.62500 -1.0 2.0
   49    53    55    58   3.62500 -1.0 2.0
   53    49    61    38   3.62500 -1.0 2.0
   53    49   -61    56   3.62500 -1.0 2.0
   53    55    56    57   2.00000 -1.0 2.0
   53    55   -56    61   3.62500 -1.0 2.0
   53    55    58    59   1.05000 -1.0 2.0
   53    55    58    60   1.05000 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56    61    38   3.62500 -1.0 2.0
   55    56   -61    49   3.62500 -1.0 2.0
   56    55    58    59   1.85000 -1.0 2.0
   56    55    58    60   1.85000 -1.0 2.0
   57    56    61    38   2.00000 -1.0 2.0
   57    56    61    49   2.00000 -1.0 2.0
   61    38   -42    43   3.62500 -1.0 2.0
   61    38    42    45   3.62500 -1.0 2.0
   61    49    53    54   3.62500 -1.0 2.0
   61    49   -53    55   3.62500 -1.0 2.0
   58    55    56    57   2.00000 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   45    42    43    44   1.05000 -1.0 2.0
   45    42    43    46   0.56600 -1.0 2.0
   45    48    50    51   1.05000 -1.0 2.0
   45    48    50    52   1.05000 -1.0 2.0
   48    33   -37    38   3.62500 -1.0 2.0
   48    33    37    39   3.62500 -1.0 2.0
   39    37    38    42   3.62500 -1.0 2.0
   39    37    38    61   3.62500 -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
   37    48    33    29   4.00000 -1.0 2.0
   38    39    37    33   4.00000 -1.0 2.0
   42    61    38    37   4.00000 -1.0 2.0
   43    45    42    38   4.00000 -1.0 2.0
   42    46    43    44  10.50000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
   53    61    49    46   4.00000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
   58    56    55    53   4.00000 -1.0 2.0
   57    55    56    61   1.00000 -1.0 2.0
   49    56    61    38   4.00000 -1.0 2.0
   59    55    58    60  10.50000 -1.0 2.0
   45    50    48    33   4.00000 -1.0 2.0
   51    48    50    52  10.50000 -1.0 2.0
   40    37    39    41  10.50000 -1.0 2.0
END
