* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    225     430
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02029    76.45178    59.87745
    3     1 S   H    _H1_     3     1.02143    38.35212  -153.46758
    4     1 S   H    _H2_     4     1.02074   100.88214   -46.97668
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.88524    96.48064  -158.14278
   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   CT   _C14    37     1.56236   109.65724  -160.01736
   38    37 S   HC   _H16    38     1.09966   108.81137  -169.72237
   39    33 S   CT   _C9_    56     1.55690   105.15589    78.27818
   40    39 S   HC   _H5_    57     1.09303   107.96280    61.59062
   41    37 S   CO4  _C13    39     1.51464   101.92259    78.71208
   42    41 S   O    _O33    40     1.22486   124.51981  -163.61159
   43    39 S   OH   _O34    58     1.43308   112.08527   -54.40038
   44    43 S   HO   _H20    59     0.96706   105.99470   -69.52582
   45    37 S   CT   _C15    72     1.52235   118.18161   -45.30791
   46    45 S   HC   _H17    73     1.08949   109.91099    55.44047
   47    45 S   HC   _H18    74     1.09004   109.91575   -64.47384
   48    45 S   HC   _H19    75     1.08924   109.94151   175.50081
   49    41 S   CT   _C12    41     1.50580   111.98360    16.61683
   50    49 S   HC   _H14    42     1.08778   110.96806   133.77050
   51    49 S   HC   _H15    43     1.09494   107.95838  -108.10567
   52    33 S   CT   _C11    44     1.56850   107.54938   -49.23276
   53    52 S   HC   _H6_    45     1.09288   111.95909    39.96694
   54    52 S   CT   _C5_    46     1.56772   116.40170   163.00817
   55    54 S   HC   _H3_    47     1.08921   110.44653    53.89944
   56    54 S   CT   _C6_    48     1.54096   111.59147   -68.68320
   57    56 S   HC   _H10    49     1.09761   110.20383   -37.03911
   58    56 S   HC   _H11    50     1.09873   109.20297  -151.99811
   59    54 S   CT   _C4_    68     1.54329   111.55728   171.90726
   60    59 S   HC   _H7_    69     1.08532   109.28007    59.53879
   61    59 S   HC   _H8_    70     1.08532   109.27547   -60.45016
   62    59 S   HC   _H9_    71     1.08504   109.28346   179.55325
   63    56 S   CT   _C7_    51     1.52495   115.89527    88.70568
   64    63 S   HC   _H12    52     1.09607   108.20408    86.58218
   65    63 S   HC   _H13    53     1.09550   107.69242  -159.71310
   66    63 S   CT   _C8_    54     1.52998   117.09375   -36.74835
   67    66 S   HC   _H4_    55     1.04874   108.54939    79.59900
   68    66 S   CM   _C16    60     1.50748   107.88726  -167.18457
   69    68 S   CM   _C17    61     1.34093   121.93578    64.37865
   70    69 S   HC   _H21    62     1.08518   121.36728   179.97202
   71    69 S   HC   _H22    63     1.08526   121.36116    -0.03956
   72    68 S   CT   _C18    64     1.50022   116.17422  -115.67260
   73    72 S   HC   _H23    65     1.09497   110.31577   -89.93877
   74    72 S   HC   _H24    66     1.09430   110.25266    29.89084
   75    72 S   HC   _H25    67     1.09442   112.18193   149.97671
  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  13   5   4   3
  25   2   1   1  17   9  18   7  11   5   6   1   5   2   1   1
   8   4   3  12   4  12   8  12   6   5   4   2   1   1   7   4
   3   9   3   7   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    52    53    54    66    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    50    51    52    53    54    55    56    63    66    67    39    40    43    44    68    59    45    46    47    48  
   35    36  
   36  
    0  
   38    41    42    49    50    51    52    53    54    66    39    40    43    45    46    47    48  
   41    42    49    52    39    45    46    47    48  
   40    43    44    68    69    72    45    41    49    52    53    54    56    63    64    65    66    67  
   43    44    68    52    63    66    67  
   42    49    50    51    52    53    54    45    46    47    48  
   49    50    51    52    45  
   44    68    52    63    66    67  
   66  
   46    47    48    49    52  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    59  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    63    66    59    60    61    62  
   54    55    56    59  
   55    56    57    58    63    64    65    66    59    60    61    62  
   56    57    58    63    59    60    61    62  
   57    58    63    64    65    66    67    68    59    60    61    62  
   58    63    64    65    66    59  
   63    64    65    66    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    72  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    74    75  
   68    69    72  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   66    68   317.000  1.510
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   68    69   549.000  1.340
   68    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    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   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    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    52    49    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    58.35000  112.70000
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    48    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    58.35000  112.70000
   52    54    59    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    63    58.35000  112.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    39    58.35000  112.70000
   63    66    68    70.00000  112.02700
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    39    40    37.50000  110.70000
   66    39    43    50.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    72    65.00000  117.92700
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    66    67    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   68    66    67    35.00000  109.50000
   68    66    39    70.00000  112.02700
   68    69    70    35.00000  120.00000
   68    69    71    35.00000  120.00000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    68    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.44750  1.0 1.0
   29    33    52    54  -0.17800 -1.0 2.0
   29    33    52    54   0.20200  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    49   0.60050  1.0 1.0
   33    37   -41    49   0.05600 -1.0 2.0
   33    37   -41    49   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    48   0.15000  1.0 3.0
   33    52    54    55   0.15000  1.0 3.0
   33    52    54    56   0.56750  1.0 1.0
   33    52    54    56  -0.07550 -1.0 2.0
   33    52    54    56   0.20000  1.0 3.0
   33    52    54    59   0.56750  1.0 1.0
   33    52    54    59  -0.07550 -1.0 2.0
   33    52    54    59   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -52    49   0.56750  1.0 1.0
   37    33   -52    49  -0.07550 -1.0 2.0
   37    33   -52    49   0.20000  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    54   0.56750  1.0 1.0
   37    33    52    54  -0.07550 -1.0 2.0
   37    33    52    54   0.20000  1.0 3.0
   37    33    39    66   0.56750  1.0 1.0
   37    33    39    66  -0.07550 -1.0 2.0
   37    33    39    66   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    52   0.60050  1.0 1.0
   37    41   -49    52   0.05600 -1.0 2.0
   37    41   -49    52   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   41    37    45    46  -0.11250  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    48  -0.11250  1.0 3.0
   41    49   -52    33  -0.95700  1.0 1.0
   41    49   -52    33  -0.18200 -1.0 2.0
   41    49   -52    33   0.29450  1.0 3.0
   41    49    52    53  -0.11250  1.0 3.0
   41    49    52    54  -0.95700  1.0 1.0
   41    49    52    54  -0.18200 -1.0 2.0
   41    49    52    54   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    52   0.30150 -1.0 2.0
   49    52    54    55   0.15000  1.0 3.0
   49    52    54    56   0.56750  1.0 1.0
   49    52    54    56  -0.07550 -1.0 2.0
   49    52    54    56   0.20000  1.0 3.0
   49    52    54    59   0.56750  1.0 1.0
   49    52    54    59  -0.07550 -1.0 2.0
   49    52    54    59   0.20000  1.0 3.0
   50    49    52    33   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   51    49    52    33   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    41  -0.95700  1.0 1.0
   52    33   -37    41  -0.18200 -1.0 2.0
   52    33   -37    41   0.29450  1.0 3.0
   52    33    37    45   0.56750  1.0 1.0
   52    33    37    45  -0.07550 -1.0 2.0
   52    33    37    45   0.20000  1.0 3.0
   52    33    39    66   0.56750  1.0 1.0
   52    33    39    66  -0.07550 -1.0 2.0
   52    33    39    66   0.20000  1.0 3.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    43   0.86500  1.0 1.0
   52    33    39    43  -0.17500 -1.0 2.0
   52    33    39    43   0.20800  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54    56    63   0.56750  1.0 1.0
   52    54    56    63  -0.07550 -1.0 2.0
   52    54    56    63   0.20000  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   52    54    59    62   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   54    56    63    64   0.15000  1.0 3.0
   54    56    63    65   0.15000  1.0 3.0
   54    56    63    66   0.56750  1.0 1.0
   54    56    63    66  -0.07550 -1.0 2.0
   54    56    63    66   0.20000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    63   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   56    63    66    67   0.15000  1.0 3.0
   56    63    66    39   0.56750  1.0 1.0
   56    63    66    39  -0.07550 -1.0 2.0
   56    63    66    39   0.20000  1.0 3.0
   56    63    66    68   0.34400  1.0 1.0
   56    63    66    68   0.09450 -1.0 2.0
   56    63    66    68   0.11100  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.15000  1.0 3.0
   63    66    39    33   0.56750  1.0 1.0
   63    66    39    33  -0.07550 -1.0 2.0
   63    66    39    33   0.20000  1.0 3.0
   63    66    39    40   0.15000  1.0 3.0
   63    66    39    43   0.86500  1.0 1.0
   63    66    39    43  -0.17500 -1.0 2.0
   63    66    39    43   0.20800  1.0 3.0
   63    66    68    69   0.09850  1.0 1.0
   63    66    68    69   0.15250 -1.0 2.0
   63    66    68    69  -0.50650  1.0 3.0
   63    66    68    72   0.46850  1.0 1.0
   63    66    68    72   0.08550 -1.0 2.0
   63    66    68    72   0.09800  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    39   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    39   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   66    39    43    44  -0.11600  1.0 1.0
   66    39    43    44  -0.09450 -1.0 2.0
   66    39    43    44   0.21250  1.0 3.0
   66    68    69    70   7.00000 -1.0 2.0
   66    68    69    71   7.00000 -1.0 2.0
   66    68    72    73   0.34800  1.0 3.0
   66    68    72    74   0.34800  1.0 3.0
   66    68    72    75   0.34800  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.15000  1.0 3.0
   67    66    39    43   0.23400  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    72   0.34800  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    52    49   0.56750  1.0 1.0
   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    54   0.56750  1.0 1.0
   39    33    52    54  -0.07550 -1.0 2.0
   39    33    52    54   0.20000  1.0 3.0
   39    66    68    69   0.09850  1.0 1.0
   39    66    68    69   0.15250 -1.0 2.0
   39    66    68    69  -0.50650  1.0 3.0
   39    66    68    72   0.46850  1.0 1.0
   39    66    68    72   0.08550 -1.0 2.0
   39    66    68    72   0.09800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   68    66    39    33   0.34400  1.0 1.0
   68    66    39    33   0.09450 -1.0 2.0
   68    66    39    33   0.11100  1.0 3.0
   68    66    39    40   0.15000  1.0 3.0
   68    66    39    43   1.05650  1.0 1.0
   68    66    39    43   0.15600 -1.0 2.0
   68    66    39    43   0.53150  1.0 3.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   69    68    72    75   0.00000  1.0 1.0
   72    68    69    70   7.00000 -1.0 2.0
   72    68    69    71   7.00000 -1.0 2.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54    56    63   0.56750  1.0 1.0
   59    54    56    63  -0.07550 -1.0 2.0
   59    54    56    63   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    49   0.60050  1.0 1.0
   45    37    41    49   0.05600 -1.0 2.0
   45    37    41    49   0.26150  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   66    72    68    69  15.00000 -1.0 2.0
   70    71    69    68  15.00000 -1.0 2.0
END
