* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    116    178     340
    1     0 S   NP   _N1_     1    30.97846    91.31906   -16.93371
    2     1 S   H    _HN1     2     1.04137   144.30998    79.10400
    3     1 S   H    _H1_     3     1.02709    38.04979    83.31480
    4     1 S   H    _H2_     4     1.02858    90.55592   -36.56887
    5     1 S   CT   _CA1     5     1.50159    89.76075  -149.15949
    6     5 S   HC   _HA1     6     1.09676   104.65212    32.40568
    7     5 S   CO3  _C1_     7     1.54422   111.52592   -83.71390
    8     7 S   O2Z  _O11     8     1.26169   116.86844  -117.25855
    9     7 S   O2Z  _O12     9     1.26631   113.88834    62.64806
   10     5 S   CT   _CB1    10     1.52769   106.82636   148.19006
   11    10 S   HC   HB11    11     1.09845   109.91084   -43.34325
   12    10 S   HC   HB12    12     1.09537   109.35183    72.52579
   13    10 S   CT   _CG1    13     1.53205   113.69847  -164.15182
   14    13 S   HC   HG11    14     1.09448   111.94772   -57.17663
   15    13 S   HC   HG12    15     1.09565   110.71704    62.53330
   16    13 S   C    _CD1    16     1.51523   108.80195  -178.25718
   17    16 S   O    _OE1    17     1.22798   121.92028   -94.30245
   18    16 S   N    _N2_    18     1.38435   112.55121    82.43420
   19    18 S   H    _HN2    19     1.01554   118.85730    10.20804
   20    18 S   CT1  _CA2    20     1.46265   123.48257  -166.05498
   21    20 S   HC   _HA2    21     1.09726   109.23070     0.42382
   22    20 S   C    _C2_    22     1.53213   109.19739  -116.00959
   23    22 S   O    _O2_    23     1.23047   122.08855  -144.63948
   24    20 S   CT   _CB2    32     1.53903   110.83315   121.46396
   25    24 S   HC   HB21    33     1.09359   109.26127    64.51307
   26    24 S   HC   HB22    34     1.09515   110.55544  -177.37400
   27    22 S   N    _N3_    24     1.38453   113.57416    42.67677
   28    27 S   H    _HN3    25     1.01514   118.99096    -0.20936
   29    24 S   S    _SG2    35     1.82958   111.08301   -57.34121
   30    27 S   CT   _CA3    26     1.45424   123.21086   175.54297
   31    30 S   HC   HA31    27     1.09543   108.93699    29.84497
   32    30 S   HC   HA32    28     1.09490   107.18944   146.76406
   33    29 S   CT   _C10    36     1.82233   101.27846   155.15995
   34    33 S   HC   _H5_    37     1.09876   105.87029    69.72995
   35    30 S   CO3  _C3_    29     1.52932   113.34985   -93.45022
   36    35 S   O2Z  _O31    30     1.26383   115.50049   -43.56518
   37    35 S   O2Z  _O32    31     1.26376   114.92771   137.41666
   38    33 S   CT   _C9_    38     1.53486   113.00707  -173.12077
   39    38 S   HC   _H4_    39     1.09789   112.40410   -69.69955
   40    38 S   CO   _C8_    40     1.53889    98.75670   171.87626
   41    40 S   HC   _H3_    41     1.09826   108.44445    76.68540
   42    38 S   OS   _O36    62     1.42952   109.26331    56.04020
   43    40 S   N*   _N4_    42     1.46380   115.61176  -162.33485
   44    40 S   OS   _O34    54     1.44275   106.87878   -36.46211
   45    42 S   PR   _P1_    63     1.61900   118.77784  -144.53918
   46    45 S   OM   _O38    64     1.64071    97.95849   111.98490
   47    45 S   OM   _O37    65     1.64244    97.04741  -149.91509
   48    43 S   CNA  _C5_    43     1.37784   120.50504    91.92382
   49    48 S   HC   _H8_    44     1.08377   117.63173     0.88933
   50    33 S   CT   _C11    55     1.53824   120.15285   -52.30574
   51    50 S   HC   _H6_    56     1.09621   110.32093    86.10597
   52    48 S   CM   _C4_    45     1.33140   121.89892  -177.95914
   53    52 S   HC   _H7_    46     1.08115   123.03002   179.17766
   54    50 S   CT   _C12    57     1.53049   117.71356   -40.25789
   55    54 S   HC   _H11    58     1.08948   112.18504    52.94205
   56    54 S   HC   _H12    59     1.09264   112.18738   -70.79697
   57    52 S   CDX  _C7_    47     1.48273   116.38662    -0.26761
   58    54 S   OH   _O35    60     1.42799   108.99138   171.09589
   59    58 S   HO   _H13    61     0.97376   106.32090   176.82097
   60    57 S   NNC  _N5_    48     1.30481   121.96482     0.79574
   61    57 S   NND  _N6_    51     1.37296   118.44911  -179.19887
   62    61 S   H    _H9_    52     1.01353   122.23396    -0.91215
   63    61 S   H    _H10    53     1.01361   120.21401  -179.43803
   64    43 S   C    _C6_    49     1.40817   118.90691   -84.69927
   65    64 S   O    _O33    50     1.23268   121.31117    -0.98636
  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  10   5   4   3
  15   8   2   1   1  14   7  14   6   6  10   8   2   1   1   8
   4   6   4   7   3   4   3   2   6   1   1   5   3   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    50    51    54    55    56    58    42    45  
   38    39    40    44    50    51    54    42  
   36    37  
   37  
    0  
   39    40    41    43    48    64    44    50    51    54    42    45    46    47  
   40    41    43    44    50    42    45  
   41    43    48    49    52    60    64    65    44    50    51    54    42    45  
   43    48    64    44    50    42  
   45    46    47    43    44    50  
   48    49    52    53    57    60    64    65    44    50  
   50    51    54    55    56    58    48    64  
   46    47  
   47  
    0  
   49    52    53    57    60    64    65    61  
   52    53    57    64  
   51    54    55    56    58    59  
   54    55    56    58  
   53    57    60    64    61    62    63  
   57    60    61  
   55    56    58    59  
   56    58    59  
   58    59  
   60    64    65    61    62    63  
   59  
    0  
   64    65    61    62    63  
   62    63    64  
   63  
    0  
   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  -0.335000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   61   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   275.000  1.479
   40    44   320.000  1.380
   43    48   448.000  1.365
   43    64   418.000  1.388
   48    49   367.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    57   427.000  1.433
   57    60   585.000  1.311
   57    61   481.000  1.340
   60    64   457.000  1.358
   64    65   570.000  1.229
   61    62   434.000  1.010
   61    63   434.000  1.010
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   320.000  1.410
   58    59   553.000  0.945
   42    45   325.000  1.672
   45    46   325.000  1.672
   45    47   325.000  1.672
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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    50    44    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    54    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    43    75.00000  107.44000
   38    40    44    90.00000  108.56700
   38    42    45   100.00000  120.50000
   40    38    39    45.00000  108.72000
   40    43    48    70.00000  121.20000
   40    43    64    70.00000  117.60000
   40    44    50    60.00000  109.50000
   43    40    41    55.00000  103.44000
   43    48    49    35.00000  119.10000
   43    48    52    70.00000  121.20000
   43    64    60    70.00000  118.60000
   43    64    65    80.00000  120.60000
   48    52    53    35.00000  120.00000
   48    52    57    85.00000  117.00000
   52    48    49    35.00000  119.70000
   52    57    60    70.00000  121.02800
   52    57    61    70.00000  120.10000
   57    52    53    35.00000  123.30000
   57    60    64    70.00000  123.15400
   57    61    62    35.00000  120.00000
   57    61    63    35.00000  120.00000
   60    64    65    80.00000  122.50000
   64    43    48    70.00000  121.60000
   61    57    60    70.00000  119.30000
   63    61    62    35.00000  120.00000
   44    40    41    35.00000  109.50000
   44    40    43   105.00000  106.22000
   44    50    51    35.00000  109.50000
   44    50    54    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    58    50.00000  109.50000
   54    50    51    37.50000  110.70000
   54    58    59    55.00000  108.50000
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.38000
   42    45    46    45.00000  102.60000
   42    45    47    45.00000  102.60000
   47    45    46    35.00000   94.00000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43  -0.27100  1.0 1.0
   33    38    40    43  -0.01700 -1.0 2.0
   33    38    40    43  -0.48600  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    42    45  -2.65550  1.0 1.0
   33    38    42    45  -0.22350 -1.0 2.0
   33    38    42    45   0.24150  1.0 3.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    58   0.86500  1.0 1.0
   33    50    54    58  -0.17500 -1.0 2.0
   33    50    54    58   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    44   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    54   0.15000  1.0 3.0
   38    33   -50    44   0.62750  1.0 1.0
   38    33   -50    44  -0.30950 -1.0 2.0
   38    33   -50    44   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54   0.56750  1.0 1.0
   38    33    50    54  -0.07550 -1.0 2.0
   38    33    50    54   0.20000  1.0 3.0
   38    40    43    48   2.08450  1.0 1.0
   38    40    43    48  -0.39300 -1.0 2.0
   38    40    43    48   0.23400  1.0 3.0
   38    40    43    64  -0.43950  1.0 1.0
   38    40    43    64  -0.08100 -1.0 2.0
   38    40    43    64   0.03350  1.0 3.0
   38    40   -44    50   0.06250  1.0 1.0
   38    40   -44    50  -0.01100 -1.0 2.0
   38    40   -44    50   0.28050  1.0 3.0
   38    42    45    46   0.05050  1.0 1.0
   38    42    45    46  -1.30700 -1.0 2.0
   38    42    45    46   0.91550  1.0 3.0
   38    42    45    47   0.05050  1.0 1.0
   38    42    45    47  -1.30700 -1.0 2.0
   38    42    45    47   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    42    45   0.03000  1.0 3.0
   40    38    42    45  -2.65550  1.0 1.0
   40    38    42    45  -0.22350 -1.0 2.0
   40    38    42    45   0.24150  1.0 3.0
   40    43    48    49   1.88100 -1.0 2.0
   40    43    48    52  -0.88150  1.0 1.0
   40    43    48    52   2.95600 -1.0 2.0
   40    43    64    60   3.62500 -1.0 2.0
   40    43    64    65   3.04450 -1.0 2.0
   40    44   -50    33   0.06250  1.0 1.0
   40    44   -50    33  -0.01100 -1.0 2.0
   40    44   -50    33   0.28050  1.0 3.0
   40    44    50    51   0.37050  1.0 3.0
   40    44    50    54   0.06250  1.0 1.0
   40    44    50    54  -0.01100 -1.0 2.0
   40    44    50    54   0.28050  1.0 3.0
   41    40    43    48   0.00000  1.0 1.0
   41    40    43    64   0.00000  1.0 1.0
   41    40    44    50   0.37050  1.0 3.0
   43    40    44    50  -2.37750  1.0 1.0
   43    40    44    50  -0.08150 -1.0 2.0
   43    40    44    50   0.59000  1.0 3.0
   43    48    52    53   0.97550 -1.0 2.0
   43    48    52    57   7.00000 -1.0 2.0
   48    43    64    60   3.62500 -1.0 2.0
   48    43    64    65   2.67200 -1.0 2.0
   48    52   -57    60   7.00000 -1.0 2.0
   48    52    57    61   7.00000 -1.0 2.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    57   7.00000 -1.0 2.0
   52    57    60    64   3.62500 -1.0 2.0
   52    57    61    62   0.70000 -1.0 2.0
   52    57    61    63   0.70000 -1.0 2.0
   53    52    57    60   7.00000 -1.0 2.0
   53    52    57    61   7.00000 -1.0 2.0
   57    60   -64    43   3.62500 -1.0 2.0
   57    60    64    65   3.04450 -1.0 2.0
   60    57    61    62   0.70000 -1.0 2.0
   60    57    61    63   0.70000 -1.0 2.0
   64    43    48    49   1.44600  1.0 1.0
   64    43   -48    52  -0.18900  1.0 1.0
   64    43   -48    52   1.70900 -1.0 2.0
   61    57    60    64   3.62500 -1.0 2.0
   44    40    43    48  -0.28000  1.0 1.0
   44    40    43    48  -1.16550 -1.0 2.0
   44    40    43    64  -2.75650  1.0 1.0
   44    40    43    64  -1.18150 -1.0 2.0
   44    40    43    64   0.81900  1.0 3.0
   44    50    54    55   0.23400  1.0 3.0
   44    50    54    56   0.23400  1.0 3.0
   44    50    54    58   3.69350  1.0 1.0
   44    50    54    58  -1.82950 -1.0 2.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   3.97050  1.0 1.0
   50    33    38    42   0.62750  1.0 1.0
   50    33    38    42  -0.30950 -1.0 2.0
   50    33    38    42   0.27300  1.0 3.0
   50    54    58    59  -0.11600  1.0 1.0
   50    54    58    59  -0.09450 -1.0 2.0
   50    54    58    59   0.21250  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    58   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43  -0.86350  1.0 1.0
   42    38    40    43   0.04750 -1.0 2.0
   42    38    40    44   1.11900  1.0 1.0
   42    38    40    44  -1.16350 -1.0 2.0
   42    38    40    44  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   48    64    43    40   1.00000 -1.0 2.0
   43    49    48    52   1.10000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   61    52    57    60  10.50000 -1.0 2.0
   43    60    64    65  10.50000 -1.0 2.0
   63    57    61    62   1.00000 -1.0 2.0
END
