* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    111    172     323
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   CM   _C12    36     1.74437    99.19265  -178.24677
   34    33 S   Cl   Cl1_    37     1.74947   114.03398    88.05281
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.35646   124.04691   -90.01295
   39    38 S   CA   _C13    39     1.48531   120.76441    -0.82329
   40    38 S   CA   _C8_    51     1.48548   119.86347   179.22116
   41    39 S   CA   _C14    40     1.39468   119.96422   -89.95437
   42    41 S   HA   _H10    41     1.08758   120.84467     0.06853
   43    40 S   CA   _C7_    52     1.39499   119.96736    89.92312
   44    43 S   HA   _H7_    53     1.08755   120.85363     0.04846
   45    41 S   CA   _C15    42     1.39458   120.00798   179.94766
   46    45 S   HA   _H11    43     1.08665   119.71452  -179.98022
   47    43 S   CA   _C6_    54     1.39468   119.95912   179.94766
   48    47 S   HA   _H6_    55     1.08672   119.60897  -180.00000
   49    45 S   CA   _C16    44     1.39479   119.96784     0.11364
   50    47 S   CA   _C5_    56     1.39455   120.02179     0.03956
   51    49 S   CA   _C17    45     1.39468   120.02406    -0.11191
   52    51 S   HA   _H12    46     1.08684   120.30868   180.00000
   53    49 S   OH   _O34    49     1.36181   119.98187   179.95577
   54    53 S   HO   _H14    50     0.96992   110.26356   179.94766
   55    50 S   CA   _C10    57     1.39499   120.01908    -0.03426
   56    55 S   HA   _H9_    58     1.08669   120.35825  -179.98022
   57    50 S   OS   _O33    61     1.36112   119.99341   179.95154
   58    39 S   CA   _C18    47     1.39414   120.04235    90.10451
   59    58 S   HA   _H13    48     1.08790   120.80434    -0.04846
   60    40 S   CA   _C9_    59     1.39455   120.01355   -90.08776
   61    60 S   HA   _H8_    60     1.08731   120.85689     0.03426
   62    57 S   CT   _C4_    62     1.42690   117.09494  -180.00000
   63    62 S   HC   _H3_    63     1.09212   109.55045  -179.92338
   64    62 S   HC   _H4_    64     1.09251   109.51386    59.19432
   65    62 S   HC   _H5_    65     1.09271   108.98174   -60.36556
  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   5   5   4   3
   8   3   2   1   1  14  12  11   8   4   8   4   7   3   7   3
   6   9   5   3   2   1   5   3   5   1   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    58    40    43    60  
   38    39    40  
   36    37  
   37  
    0  
   39    41    42    45    51    58    59    40    43    44    47    55    60    61  
   41    42    45    46    49    51    52    58    59    40    43    60  
   43    44    47    48    50    55    56    60    61    41    58  
   42    45    46    49    51    58    59    53  
   45    46    49    58  
   44    47    48    50    55    60    61    57  
   47    48    50    60  
   46    49    51    52    58    53    54  
   49    51    53  
   48    50    55    56    60    57    62  
   50    55    57  
   51    52    58    59    53    54  
   55    56    60    61    57    62    63    64    65  
   52    58    59    53    54  
   58    59    53  
   54    58  
    0  
   56    60    61    57    62  
   60    61    57  
   62    63    64    65    60  
   59  
    0  
   61  
    0  
   63    64    65  
   64    65  
   65  
    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  -0.175000   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   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   320.000  1.460
   38    40   320.000  1.460
   39    41   469.000  1.400
   39    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   53    54   553.000  0.945
   40    43   469.000  1.400
   40    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    55   469.000  1.400
   50    57   450.000  1.364
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    60.00000  123.20500
   33    38    40    60.00000  123.20500
   38    33    34    75.00000  121.50000
   38    39    41    60.00000  120.93500
   38    39    58    60.00000  120.93500
   38    40    43    60.00000  120.93500
   38    40    60    60.00000  120.93500
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    58    51    63.00000  120.00000
   39    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    51    63.00000  120.00000
   45    49    53    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    58    63.00000  120.00000
   49    53    54    35.00000  113.00000
   51    58    59    35.00000  120.00000
   58    39    41    63.00000  120.00000
   58    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   40    38    39    60.00000  122.92000
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    60    55    63.00000  120.00000
   40    60    61    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    50    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    50    55    63.00000  120.00000
   47    50    57    70.00000  120.00000
   50    47    48    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    60    63.00000  120.00000
   50    57    62    75.00000  111.00000
   55    60    61    35.00000  120.00000
   60    40    43    63.00000  120.00000
   60    55    56    35.00000  120.00000
   57    50    55    70.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -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    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    39    41   0.15800  1.0 1.0
   33    38    39    41   1.85350 -1.0 2.0
   33    38    39    41  -0.48700  1.0 3.0
   33    38    39    58   0.15800  1.0 1.0
   33    38    39    58   1.85350 -1.0 2.0
   33    38    39    58  -0.48700  1.0 3.0
   33    38    40    43   0.15800  1.0 1.0
   33    38    40    43   1.85350 -1.0 2.0
   33    38    40    43  -0.48700  1.0 3.0
   33    38    40    60   0.15800  1.0 1.0
   33    38    40    60   1.85350 -1.0 2.0
   33    38    40    60  -0.48700  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    58    51   3.62500 -1.0 2.0
   38    39    58    59   3.62500 -1.0 2.0
   38    40    43    44   3.62500 -1.0 2.0
   38    40    43    47   3.62500 -1.0 2.0
   38    40    60    55   3.62500 -1.0 2.0
   38    40    60    61   3.62500 -1.0 2.0
   39    38    40    43  -0.01750  1.0 1.0
   39    38    40    43  -0.32000 -1.0 2.0
   39    38    40    43   0.00600  1.0 3.0
   39    38    40    60  -0.01750  1.0 1.0
   39    38    40    60  -0.32000 -1.0 2.0
   39    38    40    60   0.00600  1.0 3.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    49   3.62500 -1.0 2.0
   41    39    58    51   3.62500 -1.0 2.0
   41    39    58    59   3.62500 -1.0 2.0
   41    45   -49    51   3.62500 -1.0 2.0
   41    45    49    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49    51    58   3.62500 -1.0 2.0
   45    49    53    54   0.84100 -1.0 2.0
   46    45    49    51   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    51   -58    39   3.62500 -1.0 2.0
   49    51    58    59   3.62500 -1.0 2.0
   51    49    53    54   0.84100 -1.0 2.0
   52    51    58    39   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   58    39    41    42   3.62500 -1.0 2.0
   58    39   -41    45   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    58   3.62500 -1.0 2.0
   40    38    39    41  -0.01750  1.0 1.0
   40    38    39    41  -0.32000 -1.0 2.0
   40    38    39    41   0.00600  1.0 3.0
   40    38    39    58  -0.01750  1.0 1.0
   40    38    39    58  -0.32000 -1.0 2.0
   40    38    39    58   0.00600  1.0 3.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    50   3.62500 -1.0 2.0
   43    40    60    55   3.62500 -1.0 2.0
   43    40    60    61   3.62500 -1.0 2.0
   43    47   -50    55   3.62500 -1.0 2.0
   43    47    50    57   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    50   3.62500 -1.0 2.0
   47    50    55    56   3.62500 -1.0 2.0
   47    50    55    60   3.62500 -1.0 2.0
   47    50    57    62   1.63200 -1.0 2.0
   48    47    50    55   3.62500 -1.0 2.0
   48    47    50    57   3.62500 -1.0 2.0
   50    55   -60    40   3.62500 -1.0 2.0
   50    55    60    61   3.62500 -1.0 2.0
   50    57    62    63   0.08050  1.0 3.0
   50    57    62    64   0.08050  1.0 3.0
   50    57    62    65   0.08050  1.0 3.0
   55    50    57    62   1.63200 -1.0 2.0
   56    55    60    40   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   60    40    43    44   3.62500 -1.0 2.0
   60    40   -43    47   3.62500 -1.0 2.0
   57    50    55    56   3.62500 -1.0 2.0
   57    50    55    60   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
   36    30    35    37  10.50000 -1.0 2.0
   29    34    33    38  15.00000 -1.0 2.0
   39    40    38    33  15.00000 -1.0 2.0
   41    58    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   51    53    49    45   4.00000 -1.0 2.0
   58    52    51    49   1.10000 -1.0 2.0
   51    59    58    39   1.10000 -1.0 2.0
   43    60    40    38   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   50    48    47    43   1.10000 -1.0 2.0
   55    57    50    47   4.00000 -1.0 2.0
   60    56    55    50   1.10000 -1.0 2.0
   55    61    60    40   1.10000 -1.0 2.0
END
