* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    140    227     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025   102.70801   -41.40301
    3     1 S   H    _H1_     3     1.02139    72.92019    64.51749
    4     1 S   H    _H2_     4     1.02060    40.90677  -145.38601
    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     1.08547   109.95733   179.14202
   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   _C8_    36     1.85430    96.98880  -178.13985
   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   CM   _C16    37     1.51314   107.40108   -40.00446
   38    33 S   CT   _C9_    56     1.55787   110.95576  -163.21156
   39    38 S   HC   _H5_    57     1.09376   105.11566   166.04601
   40    37 S   CM   _C17    38     1.33398   109.56676   109.76477
   41    38 S   OH   _O34    58     1.43307   110.22705    55.31672
   42    41 S   HO   _H17    59     0.96838   106.20414   180.00000
   43    37 S   CT   _C18    70     1.49374   124.73110   -70.15624
   44    43 S   HC   _H19    71     1.09089   110.37424   149.92886
   45    43 S   HC   _H20    72     1.09121   109.68216    29.66344
   46    40 S   OS   _O35    39     1.37891   116.13864    -0.03426
   47    40 S   OH   _O36    68     1.36992   124.00455  -179.58222
   48    47 S   HO   _H18    69     0.96623   110.40219   179.95577
   49    43 S   OH   _O37    73     1.41785   109.95687   -89.72887
   50    49 S   HO   _H21    74     0.97205   106.94504   180.00000
   51    33 S   CT   _C7_    40     1.57419   109.86467    67.68263
   52    51 S   HC   _H4_    41     1.09698   111.32678     9.89133
   53    51 S   CT   _C6_    42     1.54580   117.08419   134.88112
   54    53 S   HC   _H10    43     1.09842   109.19233   158.50732
   55    53 S   HC   _H11    44     1.09650   109.54870    45.65334
   56    53 S   CT   _C5_    45     1.54839   114.62305   -78.60110
   57    56 S   HC   _H3_    46     1.09588   108.31528   158.40297
   58    56 S   CT   _C11    47     1.53454   110.73860    37.34893
   59    58 S   HC   _H6_    48     1.09513   106.33118   -66.19287
   60    56 S   CT   _C4_    64     1.53582   109.60538   -85.75528
   61    60 S   HC   _H7_    65     1.08539   109.41326    62.95448
   62    60 S   HC   _H8_    66     1.08653   109.32766   -56.99191
   63    60 S   HC   _H9_    67     1.08507   109.38259  -176.97224
   64    58 S   CM   _C12    49     1.50660   119.53500   179.73020
   65    64 S   HC   _H12    50     1.08107   123.79871    34.18456
   66    64 S   CM   _C13    51     1.33594   113.00291  -154.22527
   67    66 S   HC   _H13    52     1.07516   128.82512  -174.14335
   68    66 S   CO4  _C14    53     1.47981   105.27530     7.21670
   69    68 S   O    _O33    54     1.22026   122.35712  -169.75863
   70    58 S   CT   _C10    55     1.54895   114.74865    56.57894
   71    70 S   CT   _C15    60     1.55767   112.79554    52.89741
   72    71 S   HC   _H14    61     1.07902   108.38373   -75.01129
   73    71 S   HC   _H15    62     1.07983   108.31854   165.05930
   74    71 S   HC   _H16    63     1.07920   108.35502    45.07232
  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  12   5   4   3
  22   2   1   1  16  21   7  10   6   1   7   3   2   8   2   1
   1   1   9   4  12   5   4  13   8  16   7   5   2   1   1   7
   4   5   3   6   2   4   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    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    46    51    52    53    70    38    39    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    46    51    52    53    54    55    56    58    68    70    38    39    41    42    71    47    43    44    45    49  
   35    36  
   36  
    0  
   40    46    51    52    53    70    38    39    41    47    48    43    44    45    49    50  
   39    41    42    71    72    73    74    43    40    46    51    52    53    56    58    59    64    66    68    69    70  
   41    42    71    51    58    68    70  
   46    51    52    53    47    48    43    44    45    49  
   42    71    51    58    68    70  
   70  
   44    45    49    50    46    47    51  
   45    49    50  
   49    50  
   51    52    53    54    55    56    47    48  
   48    51  
    0  
   50  
    0  
   52    53    54    55    56    57    58    70    60  
   53    54    55    56  
   54    55    56    57    58    59    64    70    60    61    62    63  
   55    56    57    58    60  
   56    57    58    60  
   57    58    59    64    65    66    68    70    71    60    61    62    63  
   58    59    64    70    60    61    62    63  
   59    64    65    66    67    68    69    70    71    72    73    74    60    61    62    63  
   64    65    66    68    70    71    60  
   61    62    63    64    70  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72    73    74  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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  1.510
   33    51   268.000  1.529
   33    38   268.000  1.529
   37    40   549.000  1.340
   37    43   317.000  1.510
   40    46   440.000  1.360
   40    47   510.000  1.338
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    70   268.000  1.529
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    38   268.000  1.529
   70    71   268.000  1.529
   38    39   340.000  1.090
   38    41   320.000  1.410
   41    42   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   47    48   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   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    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  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    51    46    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    38    70    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    41    50.00000  109.50000
   37    40    46    80.00000  120.01400
   37    40    47    80.00000  121.38400
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    49    90.00000  110.39200
   40    46    51    90.00000  111.18400
   40    47    48    70.00000  107.45700
   46    51    52    35.00000  109.50000
   46    51    53    50.00000  109.50000
   51    33    37    70.00000  112.02700
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    60    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    70.00000  112.02700
   56    58    70    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    56    57    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    66    70.00000  124.00000
   58    70    68    63.00000  111.10000
   58    70    38    58.35000  112.70000
   58    70    71    58.35000  112.70000
   64    58    59    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    65.00000  118.96000
   66    64    65    35.00000  120.00000
   66    68    69    80.00000  123.72100
   66    68    70    65.00000  118.62400
   68    66    67    40.00000  117.72500
   68    70    38    63.00000  111.10000
   68    70    71    63.00000  111.10000
   70    58    59    37.50000  110.70000
   70    58    64    70.00000  112.02700
   70    68    69    80.00000  120.40000
   70    38    39    37.50000  110.70000
   70    38    41    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    74    37.50000  110.70000
   38    33    37    70.00000  112.02700
   38    33    51    58.35000  112.70000
   38    41    42    55.00000  108.50000
   41    38    39    35.00000  109.50000
   71    70    38    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   47    40    46   115.00000  116.36000
   43    37    40    70.00000  124.00000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    38    70   0.44750  1.0 1.0
   29    33    38    70  -0.17800 -1.0 2.0
   29    33    38    70   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   33    37   -40    46   7.00000 -1.0 2.0
   33    37    40    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    49   0.18000  1.0 1.0
   33    37    43    49   0.16450 -1.0 2.0
   33    37    43    49   0.04450  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.56750  1.0 1.0
   33    51    53    56  -0.07550 -1.0 2.0
   33    51    53    56   0.20000  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   37    33   -51    46   0.61850  1.0 1.0
   37    33   -51    46  -0.22750 -1.0 2.0
   37    33   -51    46   0.15300  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.34400  1.0 1.0
   37    33    51    53   0.09450 -1.0 2.0
   37    33    51    53   0.11100  1.0 3.0
   37    33    38    70   0.34400  1.0 1.0
   37    33    38    70   0.09450 -1.0 2.0
   37    33    38    70   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    41   1.05650  1.0 1.0
   37    33    38    41   0.15600 -1.0 2.0
   37    33    38    41   0.53150  1.0 3.0
   37    40   -46    51  -2.26850  1.0 1.0
   37    40   -46    51   3.39050 -1.0 2.0
   37    40    47    48  -0.66100  1.0 1.0
   37    40    47    48   1.20850 -1.0 2.0
   37    40    47    48  -0.36000  1.0 3.0
   37    43    49    50  -0.07800  1.0 1.0
   37    43    49    50  -0.21500 -1.0 2.0
   37    43    49    50  -0.03150  1.0 3.0
   40    37    43    44   0.00000  1.0 1.0
   40    37    43    45   0.00000  1.0 1.0
   40    37    43    49   0.67800  1.0 1.0
   40    37    43    49   0.47050 -1.0 2.0
   40    37    43    49  -0.62500  1.0 3.0
   40    46   -51    33  -0.46850  1.0 1.0
   40    46   -51    33   0.09300 -1.0 2.0
   40    46   -51    33  -0.12850  1.0 3.0
   40    46    51    52   0.08050  1.0 3.0
   40    46    51    53  -0.46850  1.0 1.0
   40    46    51    53   0.09300 -1.0 2.0
   40    46    51    53  -0.12850  1.0 3.0
   46    40    47    48   2.00000 -1.0 2.0
   46    51    53    54   0.23400  1.0 3.0
   46    51    53    55   0.23400  1.0 3.0
   46    51    53    56   0.62750  1.0 1.0
   46    51    53    56  -0.30950 -1.0 2.0
   46    51    53    56   0.27300  1.0 3.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    37    43   0.46850  1.0 1.0
   51    33    37    43   0.08550 -1.0 2.0
   51    33    37    43   0.09800  1.0 3.0
   51    33    38    70   0.56750  1.0 1.0
   51    33    38    70  -0.07550 -1.0 2.0
   51    33    38    70   0.20000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    41   0.86500  1.0 1.0
   51    33    38    41  -0.17500 -1.0 2.0
   51    33    38    41   0.20800  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.56750  1.0 1.0
   51    53    56    58  -0.07550 -1.0 2.0
   51    53    56    58   0.20000  1.0 3.0
   51    53    56    60   0.56750  1.0 1.0
   51    53    56    60  -0.07550 -1.0 2.0
   51    53    56    60   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    64   0.34400  1.0 1.0
   53    56    58    64   0.09450 -1.0 2.0
   53    56    58    64   0.11100  1.0 3.0
   53    56    58    70   0.56750  1.0 1.0
   53    56    58    70  -0.07550 -1.0 2.0
   53    56    58    70   0.20000  1.0 3.0
   53    56    60    61   0.15000  1.0 3.0
   53    56    60    62   0.15000  1.0 3.0
   53    56    60    63   0.15000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    60   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    60   0.15000  1.0 3.0
   56    58    64    65   0.00000  1.0 1.0
   56    58    64    66   0.09850  1.0 1.0
   56    58    64    66   0.15250 -1.0 2.0
   56    58    64    66  -0.50650  1.0 3.0
   56    58    70    68  -0.95700  1.0 1.0
   56    58    70    68  -0.18200 -1.0 2.0
   56    58    70    68   0.29450  1.0 3.0
   56    58    70    38   0.56750  1.0 1.0
   56    58    70    38  -0.07550 -1.0 2.0
   56    58    70    38   0.20000  1.0 3.0
   56    58    70    71   0.56750  1.0 1.0
   56    58    70    71  -0.07550 -1.0 2.0
   56    58    70    71   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    58    70   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64    66    67   7.00000 -1.0 2.0
   58    64   -66    68   7.00000 -1.0 2.0
   58    70    38    33   0.56750  1.0 1.0
   58    70    38    33  -0.07550 -1.0 2.0
   58    70    38    33   0.20000  1.0 3.0
   58    70    38    39   0.15000  1.0 3.0
   58    70    38    41   0.86500  1.0 1.0
   58    70    38    41  -0.17500 -1.0 2.0
   58    70    38    41   0.20800  1.0 3.0
   58    70    71    72   0.15000  1.0 3.0
   58    70    71    73   0.15000  1.0 3.0
   58    70    71    74   0.15000  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    70    68  -0.11250  1.0 3.0
   59    58    70    38   0.15000  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   64    58   -70    68  -0.98800  1.0 1.0
   64    58   -70    68   0.48800 -1.0 2.0
   64    58   -70    68   0.76800  1.0 3.0
   64    58    70    38   0.34400  1.0 1.0
   64    58    70    38   0.09450 -1.0 2.0
   64    58    70    38   0.11100  1.0 3.0
   64    58    70    71   0.34400  1.0 1.0
   64    58    70    71   0.09450 -1.0 2.0
   64    58    70    71   0.11100  1.0 3.0
   64    66    68    69   1.00000 -1.0 2.0
   64    66   -68    70  -0.33500  1.0 1.0
   64    66   -68    70   1.06600 -1.0 2.0
   64    66   -68    70  -0.14000  1.0 3.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    68   7.00000 -1.0 2.0
   66    68   -70    58   0.65300  1.0 1.0
   66    68   -70    58  -0.03850 -1.0 2.0
   66    68   -70    58   0.33900  1.0 3.0
   66    68    70    38   0.65300  1.0 1.0
   66    68    70    38  -0.03850 -1.0 2.0
   66    68    70    38   0.33900  1.0 3.0
   66    68    70    71   0.65300  1.0 1.0
   66    68    70    71  -0.03850 -1.0 2.0
   66    68    70    71   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.04550  1.0 1.0
   67    66    68    70   0.83000 -1.0 2.0
   67    66    68    70  -0.04000  1.0 3.0
   68    70    38    33  -0.95700  1.0 1.0
   68    70    38    33  -0.18200 -1.0 2.0
   68    70    38    33   0.29450  1.0 3.0
   68    70    38    39  -0.11250  1.0 3.0
   68    70    38    41  -0.09450  1.0 1.0
   68    70    38    41  -1.12950 -1.0 2.0
   68    70    38    41   0.54000  1.0 3.0
   68    70    71    72  -0.11250  1.0 3.0
   68    70    71    73  -0.11250  1.0 3.0
   68    70    71    74  -0.11250  1.0 3.0
   69    68    70    58   0.30150 -1.0 2.0
   69    68    70    38   0.30150 -1.0 2.0
   69    68    70    71   0.30150 -1.0 2.0
   70    58    64    65   0.00000  1.0 1.0
   70    58   -64    66   0.09850  1.0 1.0
   70    58   -64    66   0.15250 -1.0 2.0
   70    58   -64    66  -0.50650  1.0 3.0
   70    38    41    42  -0.11600  1.0 1.0
   70    38    41    42  -0.09450 -1.0 2.0
   70    38    41    42   0.21250  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    51    46   0.62750  1.0 1.0
   38    33    51    46  -0.30950 -1.0 2.0
   38    33    51    46   0.27300  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.56750  1.0 1.0
   38    33    51    53  -0.07550 -1.0 2.0
   38    33    51    53   0.20000  1.0 3.0
   38    70    71    72   0.15000  1.0 3.0
   38    70    71    73   0.15000  1.0 3.0
   38    70    71    74   0.15000  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   71    70    38    33   0.56750  1.0 1.0
   71    70    38    33  -0.07550 -1.0 2.0
   71    70    38    33   0.20000  1.0 3.0
   71    70    38    39   0.15000  1.0 3.0
   71    70    38    41   0.86500  1.0 1.0
   71    70    38    41  -0.17500 -1.0 2.0
   71    70    38    41   0.20800  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   0.34400  1.0 1.0
   60    56    58    64   0.09450 -1.0 2.0
   60    56    58    64   0.11100  1.0 3.0
   60    56    58    70   0.56750  1.0 1.0
   60    56    58    70  -0.07550 -1.0 2.0
   60    56    58    70   0.20000  1.0 3.0
   47    40    46    51   2.00000 -1.0 2.0
   43    37    40    46   7.00000 -1.0 2.0
   43    37    40    47   7.00000 -1.0 2.0
   44    43    49    50   0.19450  1.0 3.0
   45    43    49    50   0.19450  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
   33    43    37    40   1.10000 -1.0 2.0
   46    47    40    37   1.10000 -1.0 2.0
   58    65    64    66   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
END
