* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    116    176     340
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02110    71.66904   -94.79346
    3     1 S   H    _H1_     3     1.02057   103.23725    10.78178
    4     1 S   H    _H2_     4     1.02104    41.87289   114.15758
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     8.54893
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08486   106.38580   -11.13132
   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    59.09630
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71931
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.80605    98.11765   -78.20712
   34    33 S   HC   _H3_    37     1.09551   104.26853    35.26721
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CO4  _C11    38     1.53314   111.04922   -80.03565
   39    38 S   O    _O35    39     1.22925   123.41005    -5.27797
   40    33 S   CM   _C13    58     1.52172   109.65740   154.80209
   41    38 S   CA   _C9_    40     1.49042   118.72234   173.39639
   42    40 S   CM   _C15    59     1.46403   112.84759  -115.04360
   43    42 S   HC   _H10    60     1.08802   114.17849    43.94923
   44    40 S   CO3  _C14    68     1.34752   125.15546    66.11103
   45    44 S   O2Z  _O36    69     1.39695   120.21924    -1.26548
   46    44 S   O2Z  _O37    70     1.39622   120.03358  -178.85329
   47    41 S   CA   _C8_    41     1.39485   119.12800   -60.00107
   48    47 S   HA   _H8_    42     1.08868   120.05588    -0.01978
   49    42 S   CM   _C16    61     1.34420   125.41412  -138.86941
   50    47 S   CA   _C7_    43     1.39399   120.04759   179.96574
   51    49 S   CMA  _C17    62     1.48328   118.34529  -178.67382
   52    51 S   OM   _O38    63     1.22044   125.88029    -0.02798
   53    49 S   OH   _O40    66     1.37896   122.19923     0.17359
   54    53 S   HO   _H12    67     0.96279   109.88449     0.02798
   55    50 S   CA   _C6_    44     1.39534   119.99175     0.00000
   56    55 S   HA   _H7_    45     1.08704   120.25239   179.96574
   57    50 S   CO3  _C18    55     1.47177   120.10423  -179.96044
   58    57 S   O2Z  _O42    56     1.28819   118.79486   179.97202
   59    57 S   O2Z  _O41    57     1.28796   118.73401    -0.06256
   60    51 S   OH   _O39    64     1.35429   109.92107   179.97202
   61    60 S   HO   _H11    65     0.98093   112.00698  -179.97202
   62    55 S   CA   _C5_    46     1.39493   120.00032    -0.05595
   63    41 S   CA   _C10    47     1.39534   120.91133   119.97044
   64    62 S   OS   _O33    50     1.36198   119.40866  -179.87967
   65    63 S   OH   _O34    48     1.36435   120.26216    -0.09065
   66    65 S   HO   _H9_    49     0.96988   110.03022  -179.97202
   67    64 S   CT   _C4_    51     1.42591   117.05022    89.93305
   68    67 S   HC   _H4_    52     1.09190   109.53139   179.97202
   69    67 S   HC   _H5_    53     1.09354   109.51192    59.21107
   70    67 S   HC   _H6_    54     1.09251   109.00390   -60.35273
  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   8   5   4   3
  13   6   2   1   1  11   4   9  10  10   4   3   1   1  10   4
   6   8   5   3   2   1   9   4   3   1   1   1   1   8   4   5
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    47    63    40    42    43    49    44    45    46  
   38    39    41    40    42    44  
   36    37  
   37  
    0  
   39    41    47    48    50    62    63    65    40    42    44  
   41    47    63    40  
   42    43    49    51    53    44    45    46    41  
   47    48    50    55    62    63    65    66    64    57  
   43    49    51    52    60    53    54    44    45    46  
   49    51    53    44  
   45    46    49  
   46  
    0  
   48    50    55    56    62    63    65    57    58    59  
   50    55    63    57  
   51    52    60    61    53    54  
   55    56    62    63    64    57    58    59  
   52    60    61    53    54  
   60    61    53  
   54    60  
    0  
   56    62    63    65    64    67    57    58    59  
   62    63    64    57  
   58    59    62  
   59  
    0  
   61  
    0  
   63    65    66    64    67    68    69    70  
   65    66    64    67  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   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   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    47   469.000  1.400
   41    63   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    55   469.000  1.400
   50    57   400.000  1.490
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   57    58   656.000  1.250
   57    59   656.000  1.250
   40    42   549.000  1.340
   40    44   230.000  1.545
   42    43   340.000  1.080
   42    49   380.000  1.444
   49    51   465.000  1.376
   49    53   510.000  1.338
   51    52   745.000  1.250
   51    60   510.000  1.338
   60    61   553.000  0.945
   53    54   553.000  0.945
   44    45   656.000  1.250
   44    46   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    42    70.00000  124.00000
   33    40    44    65.00000  117.04000
   38    33    34    35.00000  109.50000
   38    41    47    60.00000  119.52600
   38    41    63    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    47    48    35.00000  120.00000
   41    47    50    63.00000  120.00000
   41    63    62    63.00000  120.00000
   41    63    65    70.00000  120.00000
   47    50    55    63.00000  120.00000
   47    50    57    85.00000  120.00000
   50    47    48    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    62    63.00000  120.00000
   50    57    58    80.00000  120.40000
   50    57    59    80.00000  120.40000
   55    62    63    63.00000  120.00000
   55    62    64    70.00000  120.00000
   62    55    56    35.00000  120.00000
   62    63    65    70.00000  120.00000
   62    64    67    75.00000  111.00000
   63    41    47    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   57    50    55    85.00000  120.00000
   59    57    58    80.00000  126.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    42    43    35.00000  120.00000
   40    42    49    70.00000  123.01800
   40    44    45    85.00000  113.83300
   40    44    46    85.00000  113.83300
   42    49    51    70.00000  117.34000
   42    49    53    80.00000  121.38400
   49    42    43    35.00000  120.00000
   49    51    52    65.00000  137.10300
   49    51    60    80.00000  121.38400
   49    53    54    70.00000  107.45700
   51    60    61    70.00000  107.45700
   60    51    52   115.00000  116.36000
   53    49    51    80.00000  121.38400
   44    40    42    55.00000  124.75400
   46    44    45    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    44   0.09700  1.0 1.0
   29    33    40    44   0.15600 -1.0 2.0
   29    33    40    44  -0.50800  1.0 3.0
   33    38    41    47   2.26350  1.0 1.0
   33    38    41    47   0.76750 -1.0 2.0
   33    38    41    47   0.22500  1.0 3.0
   33    38    41    63   2.26350  1.0 1.0
   33    38    41    63   0.76750 -1.0 2.0
   33    38    41    63   0.22500  1.0 3.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    49   7.00000 -1.0 2.0
   33    40    44    45  -0.64400  1.0 1.0
   33    40    44    45   0.26850 -1.0 2.0
   33    40    44    46  -0.64400  1.0 1.0
   33    40    44    46   0.26850 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    42  -0.51250  1.0 1.0
   38    33    40    42  -0.88800 -1.0 2.0
   38    33    40    42   0.08850  1.0 3.0
   38    33    40    44   0.09700  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44  -0.50800  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    50   3.62500 -1.0 2.0
   38    41    63    62   3.62500 -1.0 2.0
   38    41    63    65   3.62500 -1.0 2.0
   39    38    41    47   1.05000 -1.0 2.0
   39    38    41    63   1.05000 -1.0 2.0
   41    47    50    55   3.62500 -1.0 2.0
   41    47    50    57   3.62500 -1.0 2.0
   41    63    65    66   0.84100 -1.0 2.0
   47    41    63    62   3.62500 -1.0 2.0
   47    41    63    65   3.62500 -1.0 2.0
   47    50    55    56   3.62500 -1.0 2.0
   47    50   -55    62   3.62500 -1.0 2.0
   47    50    57    58   1.05000 -1.0 2.0
   47    50    57    59   1.05000 -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    62    63   3.62500 -1.0 2.0
   50    55    62    64   3.62500 -1.0 2.0
   55    50    57    58   1.05000 -1.0 2.0
   55    50    57    59   1.05000 -1.0 2.0
   55    62   -63    41   3.62500 -1.0 2.0
   55    62    63    65   3.62500 -1.0 2.0
   55    62    64    67   1.63200 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    64   3.62500 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64    67    70   0.08050  1.0 3.0
   63    41    47    48   3.62500 -1.0 2.0
   63    41   -47    50   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    41   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   57    50    55    56   3.62500 -1.0 2.0
   57    50    55    62   3.62500 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    41   0.65300  1.0 1.0
   40    33    38    41  -0.03850 -1.0 2.0
   40    33    38    41   0.33900  1.0 3.0
   40    42    49    51   0.28850  1.0 1.0
   40    42    49    51   2.61350 -1.0 2.0
   40    42    49    51   0.78400  1.0 3.0
   40    42    49    53   0.50950  1.0 1.0
   40    42    49    53   0.56650 -1.0 2.0
   40    42    49    53   0.34050  1.0 3.0
   42    40    44    45  -0.04000 -1.0 2.0
   42    40    44    45  -0.29050  1.0 3.0
   42    40    44    46  -0.04000 -1.0 2.0
   42    40    44    46  -0.29050  1.0 3.0
   42    49    51    52   7.00000 -1.0 2.0
   42    49    51    60   7.00000 -1.0 2.0
   42    49    53    54  -0.66100  1.0 1.0
   42    49    53    54   1.20850 -1.0 2.0
   42    49    53    54  -0.36000  1.0 3.0
   43    42    49    51  -0.18600  1.0 3.0
   43    42    49    53   0.00000  1.0 1.0
   49    51    60    61  -0.66100  1.0 1.0
   49    51    60    61   1.20850 -1.0 2.0
   49    51    60    61  -0.36000  1.0 3.0
   51    49    53    54  -0.66100  1.0 1.0
   51    49    53    54   1.20850 -1.0 2.0
   51    49    53    54  -0.36000  1.0 3.0
   52    51    60    61   2.00000 -1.0 2.0
   53    49    51    52   7.00000 -1.0 2.0
   53    49    51    60   7.00000 -1.0 2.0
   44    40    42    43   7.00000 -1.0 2.0
   44    40    42    49   7.00000 -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
   33    41    38    39  10.50000 -1.0 2.0
   47    63    41    38   4.00000 -1.0 2.0
   50    48    47    41   1.10000 -1.0 2.0
   55    57    50    47   4.00000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   63    64    62    55   4.00000 -1.0 2.0
   62    65    63    41   4.00000 -1.0 2.0
   58    50    57    59  10.50000 -1.0 2.0
   33    44    40    42  15.00000 -1.0 2.0
   49    43    42    40  15.00000 -1.0 2.0
   42    53    49    51  15.00000 -1.0 2.0
   52    60    51    49  15.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
