* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    139    227     419
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107    66.38327    72.95849
    3     1 S   H    _H1_     3     1.02148    46.33558  -132.80458
    4     1 S   H    _H2_     4     1.02075   105.11589   -31.17385
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.84385    97.45315   161.84346
   34    33 S   HC   _H6_    37     1.09754   105.34041   -34.09775
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C14    38     1.50658   105.47104    80.02207
   39    38 S   HC   _H16    39     1.08865   117.01998   -69.48605
   40    38 S   CM   _C13    40     1.34222   124.16154   110.11697
   41    40 S   CM   _C11    41     1.46537   122.96844    -0.33746
   42    40 S   OH   _O33    72     1.38367   121.13140   179.91607
   43    42 S   HO   _H17    73     0.96114   109.43293    -0.02798
   44    41 S   CT   _C10    42     1.54249   115.75564   -10.25678
   45    44 S   HC   _H5_    43     1.10109   105.77810   -78.02882
   46    41 S   CM   _C12    69     1.34631   120.63431   169.09746
   47    46 S   HC   _H14    70     1.07720   120.14200   178.58986
   48    46 S   HC   _H15    71     1.07831   120.18766    -1.38126
   49    44 S   CT   _C9_    44     1.54605   114.26909   165.84127
   50    49 S   HC   _H12    45     1.09702   109.19038   -57.63362
   51    49 S   HC   _H13    46     1.09771   109.36173    58.36991
   52    49 S   CT   _C8_    47     1.53897   114.66064   178.06488
   53    52 S   HC   _H4_    48     1.09717   108.61427   -73.35306
   54    52 S   CT   _C7_    49     1.52039   112.92296    48.07392
   55    54 S   HC   _H3_    50     1.09946   110.10645  -163.42765
   56    54 S   CT   _C6_    51     1.52405   115.23038   -42.03790
   57    56 S   HC   _H10    52     1.09810   109.39955   169.43493
   58    56 S   HC   _H11    53     1.09477   104.80583   -76.30886
   59    54 S   OS   _O35    59     1.43155   104.62172    83.13787
   60    33 S   CT   _C5_    54     1.57783   116.82118  -154.38353
   61    59 S   CO4  _C17    60     1.37359   108.84720    29.10214
   62    61 S   O    _O34    61     1.22117   124.24235   172.11205
   63    60 S   CT   _C4_    55     1.55893   106.98080   162.25181
   64    63 S   HC   _H7_    56     1.07886   108.20868    59.67078
   65    63 S   HC   _H8_    57     1.07850   108.21335   -60.24652
   66    63 S   HC   _H9_    58     1.07773   108.25281   179.68784
   67    52 S   CT   _C16    62     1.53633   113.26591   161.56380
   68    67 S   CT   _C18    63     1.52111   116.42168    34.21334
   69    68 S   HC   _H18    64     1.09162   110.27893    63.00681
   70    68 S   HC   _H19    65     1.09246   110.26045   -57.01752
   71    68 S   HC   _H20    66     1.09201   110.29228  -176.99893
   72    67 S   OH   _O36    67     1.42365   111.51386   157.73472
   73    72 S   HO   _H21    68     0.96912   106.52952   170.54570
  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   9   5   4   3
  18   7   2   1   1  10   4  10  14   3   1  19   8   4   1   1
  14   6   5  17   8  12   7  10   4   3   6   4   8   3   3   2
   1   1   6   5   3   2   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    56    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    49    54    56    57    58    60    63    64    65    66    42  
   38    39    40    44    56    60    63  
   36    37  
   37  
    0  
   39    40    41    44    56    60    63    46    42    43  
   40    41    60    42  
   41    44    45    49    60    46    47    48    42    43  
   44    45    49    50    51    52    56    60    63    46    47    48    42    43  
   43    44    46  
    0  
   45    49    50    51    52    53    54    56    57    58    60    63    64    65    66    67    46    47    48  
   49    50    51    52    56    60    63    46  
   47    48    49    60  
   48  
    0  
   50    51    52    53    54    55    56    60    63    59    61    67    68    72  
   51    52    53    54    60    67  
   52    53    54    60    67  
   53    54    55    56    57    58    60    59    61    62    67    68    69    70    71    72    73  
   54    55    56    59    61    67    68    72  
   55    56    57    58    60    63    59    61    62    67    68    72  
   56    57    58    60    59    61    67  
   57    58    60    63    64    65    66    59    61    67  
   58    60    63    59  
   60    63    59  
   61    62    67    68    72    60  
   63    64    65    66  
   62    67    68    69    70    71    72    73  
   67    68    72  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    42   510.000  1.338
   41    44   317.000  1.510
   41    46   549.000  1.340
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    60   268.000  1.529
   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
   52    67   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    61   214.000  1.327
   61    62   570.000  1.229
   61    67   317.000  1.522
   67    68   268.000  1.529
   67    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   46    47   340.000  1.080
   46    48   340.000  1.080
   42    43   553.000  0.945
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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    58.35000  112.70000
   33    60    56    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    70.00000  124.00000
   40    41    46    70.00000  123.01800
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    49    70.00000  112.02700
   41    44    60    70.00000  112.02700
   41    46    47    35.00000  120.00000
   41    46    48    35.00000  120.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    58.35000  112.70000
   44    60    56    58.35000  112.70000
   44    60    63    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   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    50.00000  109.50000
   52    67    61    63.00000  111.10000
   52    67    68    58.35000  112.70000
   52    67    72    50.00000  109.50000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    59    61    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    60    63    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    37.50000  110.70000
   60    44    49    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    50.00000  109.50000
   59    61    62    83.00000  123.40000
   59    61    67    81.00000  111.40000
   61    67    68    63.00000  111.10000
   61    67    72    90.00000  109.61100
   67    52    53    37.50000  110.70000
   67    52    54    58.35000  112.70000
   67    61    62    80.00000  120.40000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    50.00000  109.50000
   46    41    44    70.00000  124.00000
   48    46    47    35.00000  117.00000
   42    40    41    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.44750  1.0 1.0
   29    33    60    44  -0.17800 -1.0 2.0
   29    33    60    44   0.20200  1.0 3.0
   29    33    60    56   0.44750  1.0 1.0
   29    33    60    56  -0.17800 -1.0 2.0
   29    33    60    56   0.20200  1.0 3.0
   29    33    60    63   0.44750  1.0 1.0
   29    33    60    63  -0.17800 -1.0 2.0
   29    33    60    63   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    60    63    64   0.15000  1.0 3.0
   33    60    63    65   0.15000  1.0 3.0
   33    60    63    66   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    60    44   0.15000  1.0 3.0
   34    33    60    56   0.15000  1.0 3.0
   34    33    60    63   0.15000  1.0 3.0
   38    33    60    44   0.34400  1.0 1.0
   38    33    60    44   0.09450 -1.0 2.0
   38    33    60    44   0.11100  1.0 3.0
   38    33    60    56   0.34400  1.0 1.0
   38    33    60    56   0.09450 -1.0 2.0
   38    33    60    56   0.11100  1.0 3.0
   38    33    60    63   0.34400  1.0 1.0
   38    33    60    63   0.09450 -1.0 2.0
   38    33    60    63   0.11100  1.0 3.0
   38    40   -41    44  -0.18600  1.0 3.0
   38    40    41    46   0.28850  1.0 1.0
   38    40    41    46   2.61350 -1.0 2.0
   38    40    41    46   0.78400  1.0 3.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    41    44    45   0.00000  1.0 1.0
   40    41    44    49   0.98200  1.0 1.0
   40    41    44    49  -0.11900 -1.0 2.0
   40    41    44    49   0.24250  1.0 3.0
   40    41    44    60   0.98200  1.0 1.0
   40    41    44    60  -0.11900 -1.0 2.0
   40    41    44    60   0.24250  1.0 3.0
   40    41    46    47   7.00000 -1.0 2.0
   40    41    46    48   7.00000 -1.0 2.0
   41    40    42    43  -0.66100  1.0 1.0
   41    40    42    43   1.20850 -1.0 2.0
   41    40    42    43  -0.36000  1.0 3.0
   41    44    49    50   0.15000  1.0 3.0
   41    44    49    51   0.15000  1.0 3.0
   41    44    49    52   0.34400  1.0 1.0
   41    44    49    52   0.09450 -1.0 2.0
   41    44    49    52   0.11100  1.0 3.0
   41    44   -60    33   0.34400  1.0 1.0
   41    44   -60    33   0.09450 -1.0 2.0
   41    44   -60    33   0.11100  1.0 3.0
   41    44    60    56   0.34400  1.0 1.0
   41    44    60    56   0.09450 -1.0 2.0
   41    44    60    56   0.11100  1.0 3.0
   41    44    60    63   0.34400  1.0 1.0
   41    44    60    63   0.09450 -1.0 2.0
   41    44    60    63   0.11100  1.0 3.0
   44    41    46    47   7.00000 -1.0 2.0
   44    41    46    48   7.00000 -1.0 2.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    54   0.56750  1.0 1.0
   44    49    52    54  -0.07550 -1.0 2.0
   44    49    52    54   0.20000  1.0 3.0
   44    49    52    67   0.56750  1.0 1.0
   44    49    52    67  -0.07550 -1.0 2.0
   44    49    52    67   0.20000  1.0 3.0
   44    60    63    64   0.15000  1.0 3.0
   44    60    63    65   0.15000  1.0 3.0
   44    60    63    66   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   45    44    60    33   0.15000  1.0 3.0
   45    44    60    56   0.15000  1.0 3.0
   45    44    60    63   0.15000  1.0 3.0
   49    44    60    33   0.56750  1.0 1.0
   49    44    60    33  -0.07550 -1.0 2.0
   49    44    60    33   0.20000  1.0 3.0
   49    44    60    56   0.56750  1.0 1.0
   49    44    60    56  -0.07550 -1.0 2.0
   49    44    60    56   0.20000  1.0 3.0
   49    44    60    63   0.56750  1.0 1.0
   49    44    60    63  -0.07550 -1.0 2.0
   49    44    60    63   0.20000  1.0 3.0
   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   0.62750  1.0 1.0
   49    52    54    59  -0.30950 -1.0 2.0
   49    52    54    59   0.27300  1.0 3.0
   49    52    67    61  -0.95700  1.0 1.0
   49    52    67    61  -0.18200 -1.0 2.0
   49    52    67    61   0.29450  1.0 3.0
   49    52    67    68   0.56750  1.0 1.0
   49    52    67    68  -0.07550 -1.0 2.0
   49    52    67    68   0.20000  1.0 3.0
   49    52    67    72   0.86500  1.0 1.0
   49    52    67    72  -0.17500 -1.0 2.0
   49    52    67    72   0.20800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    67   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
   51    49    52    67   0.15000  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    60   0.56750  1.0 1.0
   52    54    56    60  -0.07550 -1.0 2.0
   52    54    56    60   0.20000  1.0 3.0
   52    54   -59    61  -0.25900  1.0 1.0
   52    54   -59    61  -0.47000 -1.0 2.0
   52    54   -59    61   0.11750  1.0 3.0
   52    67    68    69   0.15000  1.0 3.0
   52    67    68    70   0.15000  1.0 3.0
   52    67    68    71   0.15000  1.0 3.0
   52    67    72    73  -0.11600  1.0 1.0
   52    67    72    73  -0.09450 -1.0 2.0
   52    67    72    73   0.21250  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   0.23400  1.0 3.0
   53    52    67    61  -0.11250  1.0 3.0
   53    52    67    68   0.15000  1.0 3.0
   53    52    67    72   0.23400  1.0 3.0
   54    52   -67    61  -0.95700  1.0 1.0
   54    52   -67    61  -0.18200 -1.0 2.0
   54    52   -67    61   0.29450  1.0 3.0
   54    52    67    68   0.56750  1.0 1.0
   54    52    67    68  -0.07550 -1.0 2.0
   54    52    67    68   0.20000  1.0 3.0
   54    52    67    72   0.86500  1.0 1.0
   54    52    67    72  -0.17500 -1.0 2.0
   54    52    67    72   0.20800  1.0 3.0
   54    56    60    33   0.56750  1.0 1.0
   54    56    60    33  -0.07550 -1.0 2.0
   54    56    60    33   0.20000  1.0 3.0
   54    56   -60    44   0.56750  1.0 1.0
   54    56   -60    44  -0.07550 -1.0 2.0
   54    56   -60    44   0.20000  1.0 3.0
   54    56    60    63   0.56750  1.0 1.0
   54    56    60    63  -0.07550 -1.0 2.0
   54    56    60    63   0.20000  1.0 3.0
   54    59    61    62   3.00000 -1.0 2.0
   54    59   -61    67   1.63150  1.0 1.0
   54    59   -61    67   2.92000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    59    61   0.08050  1.0 3.0
   56    54    59    61  -0.25900  1.0 1.0
   56    54    59    61  -0.47000 -1.0 2.0
   56    54    59    61   0.11750  1.0 3.0
   56    60    63    64   0.15000  1.0 3.0
   56    60    63    65   0.15000  1.0 3.0
   56    60    63    66   0.15000  1.0 3.0
   57    56    60    33   0.15000  1.0 3.0
   57    56    60    44   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    33   0.15000  1.0 3.0
   58    56    60    44   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   60    33    38    39   0.00000  1.0 1.0
   60    33   -38    40   0.09850  1.0 1.0
   60    33   -38    40   0.15250 -1.0 2.0
   60    33   -38    40  -0.50650  1.0 3.0
   60    44    49    50   0.15000  1.0 3.0
   60    44    49    51   0.15000  1.0 3.0
   60    44   -49    52   0.56750  1.0 1.0
   60    44   -49    52  -0.07550 -1.0 2.0
   60    44   -49    52   0.20000  1.0 3.0
   59    54    56    57   0.23400  1.0 3.0
   59    54    56    58   0.23400  1.0 3.0
   59    54    56    60   0.62750  1.0 1.0
   59    54    56    60  -0.30950 -1.0 2.0
   59    54    56    60   0.27300  1.0 3.0
   59    61   -67    52   0.36750  1.0 3.0
   59    61    67    68   0.36750  1.0 3.0
   59    61    67    72   0.30750  1.0 1.0
   59    61    67    72   1.13850 -1.0 2.0
   59    61    67    72   0.38850  1.0 3.0
   61    67    68    69  -0.11250  1.0 3.0
   61    67    68    70  -0.11250  1.0 3.0
   61    67    68    71  -0.11250  1.0 3.0
   61    67    72    73   0.91850  1.0 1.0
   61    67    72    73   0.57950  1.0 3.0
   62    61    67    52   0.30150 -1.0 2.0
   62    61    67    68   0.30150 -1.0 2.0
   62    61    67    72   0.30150 -1.0 2.0
   67    52    54    55   0.15000  1.0 3.0
   67    52    54    56   0.56750  1.0 1.0
   67    52    54    56  -0.07550 -1.0 2.0
   67    52    54    56   0.20000  1.0 3.0
   67    52   -54    59   0.62750  1.0 1.0
   67    52   -54    59  -0.30950 -1.0 2.0
   67    52   -54    59   0.27300  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   46    41    44    45   0.00000  1.0 1.0
   46    41    44    49   0.09850  1.0 1.0
   46    41    44    49   0.15250 -1.0 2.0
   46    41    44    49  -0.50650  1.0 3.0
   46    41    44    60   0.09850  1.0 1.0
   46    41    44    60   0.15250 -1.0 2.0
   46    41    44    60  -0.50650  1.0 3.0
   42    40    41    44   1.08500 -1.0 2.0
   42    40    41    46   0.50950  1.0 1.0
   42    40    41    46   0.56650 -1.0 2.0
   42    40    41    46   0.34050  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
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   40    44    41    46   1.10000 -1.0 2.0
   59    67    61    62  10.50000 -1.0 2.0
   47    48    46    41   1.10000 -1.0 2.0
END
