* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    137    221     412
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055   102.60564   -41.68253
    3     1 S   H    _H1_     3     1.02076    73.07609    64.33302
    4     1 S   H    _H2_     4     1.02176    40.77863  -145.74399
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C18    36     1.86288    96.77640  -178.13345
   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   CO4  _C17    37     1.53959   102.92349   -60.01474
   38    37 S   O    _O35    38     1.23128   121.67026   -71.14473
   39    33 S   CM   _C8_    48     1.52494   107.82557    61.79983
   40    37 S   CA   _C11    39     1.47872   119.31963   107.63871
   41    39 S   CT   _C7_    49     1.53743   113.91959    73.52398
   42    41 S   HC   _H4_    50     1.09556   109.69177   -68.49008
   43    40 S   CA   _C12    40     1.40561   118.39719  -174.86722
   44    43 S   HA   _H9_    41     1.08702   121.01984     1.39311
   45    41 S   CT   _C6_    51     1.53561   111.27996    53.96149
   46    45 S   HC   _H3_    52     1.09878   109.30936    67.15555
   47    41 S   OH   _O38    66     1.42861   113.58215   174.02568
   48    47 S   HO   _H17    67     0.96876   106.39346   -59.99136
   49    43 S   CA   _C13    42     1.39015   120.26454  -178.45896
   50    45 S   CT   _C5_    53     1.54005   112.50411   -55.79337
   51    45 S   OH   _O39    64     1.43103   108.96624  -176.64503
   52    51 S   HO   _H18    65     0.96816   106.21980  -180.00000
   53    49 S   CA   _C14    43     1.38741   119.59679     0.45413
   54    53 S   HA   _H10    44     1.08742   119.94475   179.55545
   55    33 S   CT   _C19    54     1.55978   112.18375  -175.63480
   56    55 S   HC   _H5_    55     1.09918   109.06815    51.55162
   57    50 S   CT   _C4_    58     1.53695   110.56406   178.30962
   58    57 S   HC   _H6_    59     1.08555   109.34168  -180.00000
   59    57 S   HC   _H7_    60     1.08562   109.29175    60.00067
   60    57 S   HC   _H8_    61     1.08520   109.29592   -60.00206
   61    50 S   OH   _O40    62     1.43256   108.33527   -65.62140
   62    61 S   HO   _H19    63     0.96806   106.17323   179.96044
   63    49 S   OS   _O34    72     1.36074   120.19176  -179.90935
   64    53 S   CA   _C15    45     1.39905   120.05150    -0.37949
   65    55 S   OH   _O36    56     1.43651   107.30873   166.85484
   66    65 S   HO   _H15    57     0.96692   105.89502   -60.04830
   67    63 S   CT   _C16    73     1.42709   117.10424   179.98022
   68    67 S   HC   _H12    74     1.09252   109.55365   179.96044
   69    67 S   HC   _H13    75     1.09379   109.49780    59.18832
   70    67 S   HC   _H14    76     1.09245   109.01354   -60.36204
   71    40 S   CA   _C10    46     1.39997   120.38032     6.25157
   72    64 S   OH   _O33    70     1.36675   115.51216   179.90721
   73    72 S   HO   _H11    71     0.96857   109.94604    -0.00000
   74    71 S   CM   _C9_    47     1.47851   120.62082    -0.63643
   75    74 S   OH   _O37    68     1.38268   116.77799   178.99031
   76    75 S   HO   _H16    69     0.96284   109.82244     0.02798
  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  11   5   4   3
  19   2   1   1  14   5  17  11  14   7   9   4  16   7   4   1
  10  12   4   1   8   4  10   4   6   3   2   1   2   1   5   5
   1   1   3   2   1   1   5   2   1   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    39    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    74    39    41    50    55    56    65  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    71    74    39    41    42    45    50    55    56    65    66    57    61    47    75  
   35    36  
   36  
    0  
   38    40    43    44    49    64    71    74    39    41    50    55    56    65  
   40    43    71    39    55  
   41    42    45    46    50    55    56    65    51    47    48    75    76    40    64    71    74  
   43    44    49    53    64    71    74    55    75    72    63  
   42    45    46    50    55    57    61    51    52    47    48    75    71    74  
   45    46    50    51    47    48    74  
   44    49    53    54    64    71    74    63    67  
   49    53    71    63  
   46    50    55    56    65    57    58    59    60    61    62    51    52    47    48    74  
   50    55    57    61    51    52    47  
   48    50    51    74  
    0  
   53    54    64    71    72    63    67    68    69    70  
   55    56    65    66    57    58    59    60    61    62    51    52  
   52    55    57    61  
    0  
   54    64    71    74    72    73    63    67  
   64    71    72    63  
   56    65    66    57    58    59    60    61    62    74  
   65    66    57    61  
   58    59    60    61    62    65  
   59    60    61  
   60    61  
   61  
   62    65  
    0  
   67    68    69    70    64  
   71    74    75    72    73  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   74    75    76    72    73  
   73    74  
    0  
   75    76  
   76  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.355200   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    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   317.000  1.522
   33    39   317.000  1.510
   33    55   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    71   469.000  1.400
   43    44   367.000  1.080
   43    49   469.000  1.400
   49    53   469.000  1.400
   49    63   450.000  1.364
   53    54   367.000  1.080
   53    64   469.000  1.400
   64    71   469.000  1.400
   64    72   450.000  1.364
   71    74   320.000  1.460
   74    39   549.000  1.340
   74    75   510.000  1.338
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    51   320.000  1.410
   50    55   268.000  1.529
   50    57   268.000  1.529
   50    61   320.000  1.410
   55    56   340.000  1.090
   55    65   320.000  1.410
   65    66   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   51    52   553.000  0.945
   47    48   553.000  0.945
   75    76   553.000  0.945
   72    73   553.000  0.945
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    74    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    65    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    71    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    49    63.00000  120.00000
   40    71    64    63.00000  120.00000
   40    71    74    60.00000  120.93500
   43    49    53    63.00000  120.00000
   43    49    63    70.00000  120.00000
   49    43    44    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    64    63.00000  120.00000
   49    63    67    75.00000  111.00000
   53    64    71    63.00000  120.00000
   53    64    72    70.00000  120.00000
   64    53    54    35.00000  120.00000
   64    71    74    60.00000  120.93500
   64    72    73    35.00000  113.00000
   71    40    43    63.00000  120.00000
   71    74    39    60.00000  123.20500
   71    74    75    85.00000  114.86500
   74    39    41    70.00000  124.00000
   74    75    76    70.00000  107.45700
   39    33    37    70.00000  109.06800
   39    41    42    35.00000  109.50000
   39    41    45    70.00000  112.02700
   39    41    47    90.00000  110.39200
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   41    45    51    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    50    55    58.35000  112.70000
   45    50    57    58.35000  112.70000
   45    50    61    50.00000  109.50000
   45    51    52    55.00000  108.50000
   50    45    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    65    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   50    61    62    55.00000  108.50000
   55    33    37    63.00000  111.10000
   55    33    39    70.00000  112.02700
   55    65    66    55.00000  108.50000
   65    55    56    35.00000  109.50000
   57    50    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    50    55    50.00000  109.50000
   61    50    57    50.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    50    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   75    74    39    80.00000  121.38400
   72    64    71    70.00000  120.00000
   63    49    53    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    74   0.42700  1.0 1.0
   29    33    39    74  -0.70350 -1.0 2.0
   29    33    39    74  -0.43150  1.0 3.0
   29    33    39    41   0.30250  1.0 1.0
   29    33    39    41  -0.14950 -1.0 2.0
   29    33    39    41   0.36900  1.0 3.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.56750  1.0 1.0
   29    33    55    65  -0.07550 -1.0 2.0
   29    33    55    65   0.20000  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    71   2.26350  1.0 1.0
   33    37    40    71   0.76750 -1.0 2.0
   33    37    40    71   0.22500  1.0 3.0
   33    39    41    42   0.34800  1.0 3.0
   33    39    41    45   0.46850  1.0 1.0
   33    39    41    45   0.08550 -1.0 2.0
   33    39    41    45   0.09800  1.0 3.0
   33    39    41    47   0.18000  1.0 1.0
   33    39    41    47   0.16450 -1.0 2.0
   33    39    41    47   0.04450  1.0 3.0
   33    55    65    66  -0.11600  1.0 1.0
   33    55    65    66  -0.09450 -1.0 2.0
   33    55    65    66   0.21250  1.0 3.0
   37    33    39    74  -0.51250  1.0 1.0
   37    33    39    74  -0.88800 -1.0 2.0
   37    33    39    74   0.08850  1.0 3.0
   37    33    39    41   0.17250  1.0 1.0
   37    33    39    41  -0.04100 -1.0 2.0
   37    33    39    41  -0.33850  1.0 3.0
   37    33    55    50  -0.95700  1.0 1.0
   37    33    55    50  -0.18200 -1.0 2.0
   37    33    55    50   0.29450  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    65  -0.09450  1.0 1.0
   37    33    55    65  -1.12950 -1.0 2.0
   37    33    55    65   0.54000  1.0 3.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    49   3.62500 -1.0 2.0
   37    40    71    64   3.62500 -1.0 2.0
   37    40   -71    74   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    71   1.05000 -1.0 2.0
   40    43    49    53   3.62500 -1.0 2.0
   40    43    49    63   3.62500 -1.0 2.0
   40    71    74    39   0.15800  1.0 1.0
   40    71    74    39   1.85350 -1.0 2.0
   40    71    74    39  -0.48700  1.0 3.0
   40    71    74    75  -0.01750  1.0 1.0
   40    71    74    75  -0.32000 -1.0 2.0
   40    71    74    75   0.00600  1.0 3.0
   43    40    71    64   3.62500 -1.0 2.0
   43    40    71    74   3.62500 -1.0 2.0
   43    49    53    54   3.62500 -1.0 2.0
   43    49   -53    64   3.62500 -1.0 2.0
   43    49    63    67   1.63200 -1.0 2.0
   44    43    49    53   3.62500 -1.0 2.0
   44    43    49    63   3.62500 -1.0 2.0
   49    53    64    71   3.62500 -1.0 2.0
   49    53    64    72   3.62500 -1.0 2.0
   49    63    67    68   0.08050  1.0 3.0
   49    63    67    69   0.08050  1.0 3.0
   49    63    67    70   0.08050  1.0 3.0
   53    49    63    67   1.63200 -1.0 2.0
   53    64   -71    40   3.62500 -1.0 2.0
   53    64    71    74   3.62500 -1.0 2.0
   53    64    72    73   0.84100 -1.0 2.0
   54    53    64    71   3.62500 -1.0 2.0
   54    53    64    72   3.62500 -1.0 2.0
   64    71    74    39   0.15800  1.0 1.0
   64    71    74    39   1.85350 -1.0 2.0
   64    71    74    39  -0.48700  1.0 3.0
   64    71    74    75  -0.01750  1.0 1.0
   64    71    74    75  -0.32000 -1.0 2.0
   64    71    74    75   0.00600  1.0 3.0
   71    40    43    44   3.62500 -1.0 2.0
   71    40   -43    49   3.62500 -1.0 2.0
   71    64    72    73   0.84100 -1.0 2.0
   71    74   -39    33   7.00000 -1.0 2.0
   71    74    39    41   7.00000 -1.0 2.0
   71    74    75    76   2.00000 -1.0 2.0
   74    39    41    42   0.00000  1.0 1.0
   74    39    41    45   0.09850  1.0 1.0
   74    39    41    45   0.15250 -1.0 2.0
   74    39    41    45  -0.50650  1.0 3.0
   74    39    41    47   0.67800  1.0 1.0
   74    39    41    47   0.47050 -1.0 2.0
   74    39    41    47  -0.62500  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    40   0.65300  1.0 1.0
   39    33   -37    40  -0.03850 -1.0 2.0
   39    33   -37    40   0.33900  1.0 3.0
   39    33    55    50   0.34400  1.0 1.0
   39    33    55    50   0.09450 -1.0 2.0
   39    33    55    50   0.11100  1.0 3.0
   39    33    55    56   0.15000  1.0 3.0
   39    33    55    65   1.05650  1.0 1.0
   39    33    55    65   0.15600 -1.0 2.0
   39    33    55    65   0.53150  1.0 3.0
   39    74    75    76  -0.66100  1.0 1.0
   39    74    75    76   1.20850 -1.0 2.0
   39    74    75    76  -0.36000  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41   -45    50   0.34400  1.0 1.0
   39    41   -45    50   0.09450 -1.0 2.0
   39    41   -45    50   0.11100  1.0 3.0
   39    41    45    51   1.05650  1.0 1.0
   39    41    45    51   0.15600 -1.0 2.0
   39    41    45    51   0.53150  1.0 3.0
   39    41    47    48  -0.07800  1.0 1.0
   39    41    47    48  -0.21500 -1.0 2.0
   39    41    47    48  -0.03150  1.0 3.0
   41    45    50    55   0.56750  1.0 1.0
   41    45    50    55  -0.07550 -1.0 2.0
   41    45    50    55   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   41    45    50    61   0.86500  1.0 1.0
   41    45    50    61  -0.17500 -1.0 2.0
   41    45    50    61   0.20800  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   42    41    45    51   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    50   -55    33   0.56750  1.0 1.0
   45    50   -55    33  -0.07550 -1.0 2.0
   45    50   -55    33   0.20000  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    65   0.86500  1.0 1.0
   45    50    55    65  -0.17500 -1.0 2.0
   45    50    55    65   0.20800  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    60   0.15000  1.0 3.0
   45    50    61    62  -0.11600  1.0 1.0
   45    50    61    62  -0.09450 -1.0 2.0
   45    50    61    62   0.21250  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   46    45    50    61   0.23400  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   50    45    51    52  -0.11600  1.0 1.0
   50    45    51    52  -0.09450 -1.0 2.0
   50    45    51    52   0.21250  1.0 3.0
   50    55    65    66  -0.11600  1.0 1.0
   50    55    65    66  -0.09450 -1.0 2.0
   50    55    65    66   0.21250  1.0 3.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33    37    40   0.05850 -1.0 2.0
   55    33    37    40   0.17250  1.0 3.0
   55    33    39    74   0.09850  1.0 1.0
   55    33    39    74   0.15250 -1.0 2.0
   55    33    39    74  -0.50650  1.0 3.0
   55    33   -39    41   0.46850  1.0 1.0
   55    33   -39    41   0.08550 -1.0 2.0
   55    33   -39    41   0.09800  1.0 3.0
   55    50    57    58   0.15000  1.0 3.0
   55    50    57    59   0.15000  1.0 3.0
   55    50    57    60   0.15000  1.0 3.0
   55    50    61    62  -0.11600  1.0 1.0
   55    50    61    62  -0.09450 -1.0 2.0
   55    50    61    62   0.21250  1.0 3.0
   56    55    65    66   0.19450  1.0 3.0
   57    50    55    33   0.56750  1.0 1.0
   57    50    55    33  -0.07550 -1.0 2.0
   57    50    55    33   0.20000  1.0 3.0
   57    50    55    56   0.15000  1.0 3.0
   57    50    55    65   0.86500  1.0 1.0
   57    50    55    65  -0.17500 -1.0 2.0
   57    50    55    65   0.20800  1.0 3.0
   57    50    61    62  -0.11600  1.0 1.0
   57    50    61    62  -0.09450 -1.0 2.0
   57    50    61    62   0.21250  1.0 3.0
   61    50    55    33   0.86500  1.0 1.0
   61    50    55    33  -0.17500 -1.0 2.0
   61    50    55    33   0.20800  1.0 3.0
   61    50    55    56   0.23400  1.0 3.0
   61    50    55    65   3.75450  1.0 1.0
   61    50    57    58   0.23400  1.0 3.0
   61    50    57    59   0.23400  1.0 3.0
   61    50    57    60   0.23400  1.0 3.0
   51    45    50    55   0.86500  1.0 1.0
   51    45    50    55  -0.17500 -1.0 2.0
   51    45    50    55   0.20800  1.0 3.0
   51    45    50    57   0.86500  1.0 1.0
   51    45    50    57  -0.17500 -1.0 2.0
   51    45    50    57   0.20800  1.0 3.0
   51    45    50    61   3.75450  1.0 1.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    50   0.86500  1.0 1.0
   47    41    45    50  -0.17500 -1.0 2.0
   47    41    45    50   0.20800  1.0 3.0
   47    41    45    51   3.75450  1.0 1.0
   75    74    39    33   7.00000 -1.0 2.0
   75    74    39    41   7.00000 -1.0 2.0
   72    64    71    40   3.62500 -1.0 2.0
   72    64    71    74   3.62500 -1.0 2.0
   63    49    53    54   3.62500 -1.0 2.0
   63    49    53    64   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    71    40    37   4.00000 -1.0 2.0
   49    44    43    40   1.10000 -1.0 2.0
   53    63    49    43   4.00000 -1.0 2.0
   64    54    53    49   1.10000 -1.0 2.0
   71    72    64    53   4.00000 -1.0 2.0
   64    74    71    40   4.00000 -1.0 2.0
   71    75    74    39   1.10000 -1.0 2.0
   33    41    39    74   1.10000 -1.0 2.0
END
