* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    218     409
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02046   104.47211   -34.40635
    3     1 S   H    _H1_     3     1.02067    68.41414    70.32497
    4     1 S   H    _H2_     4     1.02107    44.54943  -136.49512
    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   _C9_    36     1.85307    97.26038  -158.15145
   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   _C10    37     1.51682   109.16001  -160.02677
   38    33 S   CT   _C8_    51     1.55170   107.92087    73.34964
   39    38 S   HC   _H12    52     1.09940   108.63123   -58.95444
   40    38 S   HC   _H13    53     1.09936   109.28284  -172.71005
   41    33 S   CT   _C18    69     1.54552   106.93912   -41.41771
   42    41 S   HC   _H19    70     1.08216   108.82912    61.71981
   43    41 S   HC   _H20    71     1.08216   108.78974   -58.22208
   44    41 S   HC   _H21    72     1.08177   108.88112  -178.21195
   45    37 S   CM   _C11    38     1.34991   127.44810    58.51808
   46    45 S   CM   _C12    39     1.43345   111.96512   176.32715
   47    46 S   HC   _H14    40     1.07869   124.60107  -177.04455
   48    45 S   OH   _O35    67     1.36314   127.78728    -1.65517
   49    48 S   HO   _H18    68     0.96991   110.91687   177.75258
   50    46 S   CM   _C13    41     1.33960   108.90061     0.03956
   51    37 S   CT   _C14    42     1.53239   125.09290  -124.68904
   52    51 S   HC   _H5_    43     1.09736   110.10533   -61.81772
   53    50 S   CT   _C17    63     1.48642   125.82693  -174.52654
   54    53 S   HC   _H15    64     1.09194   110.11264    90.05404
   55    53 S   HC   _H16    65     1.09261   110.19096   -30.13745
   56    53 S   HC   _H17    66     1.09278   110.14868  -149.83561
   57    51 S   CT   _C15    44     1.53557   111.73622    62.24458
   58    57 S   HC   _H6_    45     1.09884   110.20552    44.26922
   59    57 S   CT   _C6_    46     1.51945   112.84323   -81.68059
   60    59 S   HC   _H4_    47     1.10173   108.40982   -47.84818
   61    59 S   CT   _C7_    48     1.51866   115.12565    73.34836
   62    61 S   HC   _H10    49     1.09847   107.82308   172.43802
   63    61 S   HC   _H11    50     1.09351   111.18880    56.53917
   64    59 S   CT   _C5_    54     1.52853   102.27448  -159.52095
   65    64 S   HC   _H3_    55     1.09548   109.69382   148.79589
   66    64 S   CO4  _C16    56     1.50708   100.58311    33.78746
   67    66 S   O    _O34    57     1.22151   125.70318   163.25642
   68    64 S   CT   _C4_    59     1.52165   116.38167   -85.09013
   69    68 S   HC   _H7_    60     1.09145   110.06188    54.18606
   70    68 S   HC   _H8_    61     1.08995   110.14785   -65.76081
   71    68 S   HC   _H9_    62     1.09075   110.12256   174.15256
   72    57 S   OS   _O33    58     1.43717   112.23467   163.62477
  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
  19   2   1   1  21  15   6   5   6   2   1   1   9  11   4   3
   1  10  13   5   4   2   1   1  12   6  13   8   7   2   1   8
   7   6   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    51    61    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    50    51    52    57    59    61    62    63    38    39    40    48    41    42    43    44  
   35    36  
   36  
    0  
   45    46    47    50    51    52    57    58    59    61    38    39    40    72    53    48    49    41    42    43    44  
   39    40    64    41    42    43    44    45    51    57    59    60    61    62    63  
   40    41    59    61    62    63  
   41    59    61    62    63  
   42    43    44    45    51    61  
   43    44  
   44  
    0  
   46    47    50    51    52    57    53    48    49  
   47    50    51    52    57    53    54    55    56    48    49  
   50    51    53    48  
   49    50    51  
    0  
   51    52    57    58    59    72    53    54    55    56  
   52    57    58    59    60    61    64    66    72    53    54    55    56  
   57    58    59    72    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66    67    72    68  
   59    60    61    64    66    72  
   60    61    62    63    64    65    66    67    72    68    69    70    71  
   61    62    63    64    65    66    72    68  
   62    63    64    65    66    72    68  
   63    64  
   64  
   65    66    67    72    68    69    70    71  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    38   268.000  1.529
   33    41   268.000  1.529
   37    45   549.000  1.340
   37    51   317.000  1.510
   45    46   380.000  1.444
   45    48   510.000  1.338
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    72   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    38   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    68   268.000  1.529
   66    67   570.000  1.229
   66    72   214.000  1.327
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   48    49   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    51    65.00000  117.92700
   33    38    61    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    70.00000  123.01800
   37    45    48    80.00000  121.38400
   37    51    50    70.00000  110.12100
   37    51    52    35.00000  109.50000
   37    51    57    70.00000  112.02700
   45    46    47    35.00000  120.00000
   45    46    50    70.00000  123.01800
   45    48    49    70.00000  107.45700
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    37    45    70.00000  124.00000
   51    57    58    37.50000  110.70000
   51    57    59    58.35000  112.70000
   51    57    72    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    58.35000  112.70000
   57    59    64    58.35000  112.70000
   57    72    66    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    38    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    66    63.00000  111.10000
   59    64    68    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    38    39    37.50000  110.70000
   61    38    40    37.50000  110.70000
   63    61    62    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    61    62    37.50000  110.70000
   38    61    63    37.50000  110.70000
   40    38    39    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    58.35000  112.70000
   64    66    67    80.00000  120.40000
   64    66    72    81.00000  111.40000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    64    65    35.00000  109.50000
   72    57    58    35.00000  109.50000
   72    57    59    50.00000  109.50000
   72    66    67    83.00000  123.40000
   68    64    65    37.50000  110.70000
   68    64    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   48    45    46    80.00000  121.38400
   41    33    37    70.00000  112.02700
   41    33    38    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    51   0.30250  1.0 1.0
   29    33    37    51  -0.14950 -1.0 2.0
   29    33    37    51   0.36900  1.0 3.0
   29    33    38    61   0.44750  1.0 1.0
   29    33    38    61  -0.17800 -1.0 2.0
   29    33    38    61   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    48   7.00000 -1.0 2.0
   33    37    51    50   0.09700  1.0 1.0
   33    37    51    50   0.15600 -1.0 2.0
   33    37    51    50  -0.50800  1.0 3.0
   33    37    51    52   0.34800  1.0 3.0
   33    37    51    57   0.46850  1.0 1.0
   33    37    51    57   0.08550 -1.0 2.0
   33    37    51    57   0.09800  1.0 3.0
   37    33    38    61   0.34400  1.0 1.0
   37    33    38    61   0.09450 -1.0 2.0
   37    33    38    61   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    46    47  -0.18600  1.0 3.0
   37    45   -46    50   0.28850  1.0 1.0
   37    45   -46    50   2.61350 -1.0 2.0
   37    45   -46    50   0.78400  1.0 3.0
   37    45    48    49  -0.66100  1.0 1.0
   37    45    48    49   1.20850 -1.0 2.0
   37    45    48    49  -0.36000  1.0 3.0
   37    51    57    58   0.15000  1.0 3.0
   37    51    57    59   0.34400  1.0 1.0
   37    51    57    59   0.09450 -1.0 2.0
   37    51    57    59   0.11100  1.0 3.0
   37    51    57    72   0.61850  1.0 1.0
   37    51    57    72  -0.22750 -1.0 2.0
   37    51    57    72   0.15300  1.0 3.0
   45    37   -51    50  -0.28300  1.0 1.0
   45    37   -51    50   0.26700 -1.0 2.0
   45    37   -51    50  -0.63300  1.0 3.0
   45    37    51    52   0.00000  1.0 1.0
   45    37    51    57   0.09850  1.0 1.0
   45    37    51    57   0.15250 -1.0 2.0
   45    37    51    57  -0.50650  1.0 3.0
   45    46   -50    51   7.00000 -1.0 2.0
   45    46    50    53   7.00000 -1.0 2.0
   46    45    48    49  -0.66100  1.0 1.0
   46    45    48    49   1.20850 -1.0 2.0
   46    45    48    49  -0.36000  1.0 3.0
   46    50   -51    37  -0.28300  1.0 1.0
   46    50   -51    37   0.26700 -1.0 2.0
   46    50   -51    37  -0.63300  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.34400  1.0 1.0
   50    51    57    59   0.09450 -1.0 2.0
   50    51    57    59   0.11100  1.0 3.0
   50    51    57    72   0.61850  1.0 1.0
   50    51    57    72  -0.22750 -1.0 2.0
   50    51    57    72   0.15300  1.0 3.0
   51    37   -45    46   7.00000 -1.0 2.0
   51    37    45    48   7.00000 -1.0 2.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    61   0.56750  1.0 1.0
   51    57    59    61  -0.07550 -1.0 2.0
   51    57    59    61   0.20000  1.0 3.0
   51    57    59    64   0.56750  1.0 1.0
   51    57    59    64  -0.07550 -1.0 2.0
   51    57    59    64   0.20000  1.0 3.0
   51    57    72    66  -0.25900  1.0 1.0
   51    57    72    66  -0.47000 -1.0 2.0
   51    57    72    66   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    72   0.23400  1.0 3.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    63   0.15000  1.0 3.0
   57    59    61    38   0.56750  1.0 1.0
   57    59    61    38  -0.07550 -1.0 2.0
   57    59    61    38   0.20000  1.0 3.0
   57    59    64    65   0.15000  1.0 3.0
   57    59   -64    66  -0.95700  1.0 1.0
   57    59   -64    66  -0.18200 -1.0 2.0
   57    59   -64    66   0.29450  1.0 3.0
   57    59    64    68   0.56750  1.0 1.0
   57    59    64    68  -0.07550 -1.0 2.0
   57    59    64    68   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    72    66   0.08050  1.0 3.0
   59    57   -72    66  -0.25900  1.0 1.0
   59    57   -72    66  -0.47000 -1.0 2.0
   59    57   -72    66   0.11750  1.0 3.0
   59    61    38    33   0.56750  1.0 1.0
   59    61    38    33  -0.07550 -1.0 2.0
   59    61    38    33   0.20000  1.0 3.0
   59    61    38    39   0.15000  1.0 3.0
   59    61    38    40   0.15000  1.0 3.0
   59    64    66    67   0.30150 -1.0 2.0
   59    64   -66    72   0.36750  1.0 3.0
   59    64    68    69   0.15000  1.0 3.0
   59    64    68    70   0.15000  1.0 3.0
   59    64    68    71   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    38   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66  -0.11250  1.0 3.0
   60    59    64    68   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66  -0.95700  1.0 1.0
   61    59    64    66  -0.18200 -1.0 2.0
   61    59    64    66   0.29450  1.0 3.0
   61    59    64    68   0.56750  1.0 1.0
   61    59    64    68  -0.07550 -1.0 2.0
   61    59    64    68   0.20000  1.0 3.0
   62    61    38    33   0.15000  1.0 3.0
   62    61    38    39   0.15000  1.0 3.0
   62    61    38    40   0.15000  1.0 3.0
   63    61    38    33   0.15000  1.0 3.0
   63    61    38    39   0.15000  1.0 3.0
   63    61    38    40   0.15000  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    51   0.46850  1.0 1.0
   38    33    37    51   0.08550 -1.0 2.0
   38    33    37    51   0.09800  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    44   0.15000  1.0 3.0
   64    59    61    62   0.15000  1.0 3.0
   64    59    61    63   0.15000  1.0 3.0
   64    59    61    38   0.56750  1.0 1.0
   64    59    61    38  -0.07550 -1.0 2.0
   64    59    61    38   0.20000  1.0 3.0
   64    66   -72    57   1.63150  1.0 1.0
   64    66   -72    57   2.92000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69  -0.11250  1.0 3.0
   66    64    68    70  -0.11250  1.0 3.0
   66    64    68    71  -0.11250  1.0 3.0
   67    66    72    57   3.00000 -1.0 2.0
   72    57    59    60   0.23400  1.0 3.0
   72    57    59    61   0.62750  1.0 1.0
   72    57    59    61  -0.30950 -1.0 2.0
   72    57    59    61   0.27300  1.0 3.0
   72    57   -59    64   0.62750  1.0 1.0
   72    57   -59    64  -0.30950 -1.0 2.0
   72    57   -59    64   0.27300  1.0 3.0
   68    64    66    67   0.30150 -1.0 2.0
   68    64    66    72   0.36750  1.0 3.0
   53    50    51    37   0.09700  1.0 1.0
   53    50    51    37   0.15600 -1.0 2.0
   53    50    51    37  -0.50800  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   48    45    46    47   0.00000  1.0 1.0
   48    45    46    50   0.50950  1.0 1.0
   48    45    46    50   0.56650 -1.0 2.0
   48    45    46    50   0.34050  1.0 3.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    37    51   0.46850  1.0 1.0
   41    33    37    51   0.08550 -1.0 2.0
   41    33    37    51   0.09800  1.0 3.0
   41    33    38    61   0.56750  1.0 1.0
   41    33    38    61  -0.07550 -1.0 2.0
   41    33    38    61   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  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    51    37    45   1.10000 -1.0 2.0
   46    48    45    37   1.10000 -1.0 2.0
   45    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   64    72    66    67  10.50000 -1.0 2.0
END
