* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    122    189     357
    1     0 S   NP   _N1_     1    28.99979    98.00072   -21.71685
    2     1 S   H    _HN1     2     1.02788    96.10107   -84.98749
    3     1 S   H    _H1_     3     1.02948    65.80416    22.44356
    4     1 S   H    _H2_     4     1.02828    49.31164   166.62062
    5     1 S   CT   _CA1     5     1.50114   150.48368   111.43656
    6     5 S   HC   _HA1     6     1.09573   105.17545   100.98421
    7     5 S   CO3  _C1_     7     1.53706   112.51766   -19.21315
    8     7 S   O2Z  _O11     8     1.26367   115.04246   -41.50402
    9     7 S   O2Z  _O12     9     1.26243   114.95592   137.77255
   10     5 S   CT   _CB1    10     1.53078   107.42070  -141.04763
   11    10 S   HC   HB11    11     1.09835   109.22904   -49.79585
   12    10 S   HC   HB12    12     1.09814   110.48693    66.76241
   13    10 S   CT   _CG1    13     1.53024   112.71869  -170.80525
   14    13 S   HC   HG11    14     1.09547   110.67190   -67.87224
   15    13 S   HC   HG12    15     1.09673   109.77108    51.38458
   16    13 S   C    _CD1    16     1.51817   112.12744   171.71795
   17    16 S   O    _OE1    17     1.22741   123.23056     8.56084
   18    16 S   N    _N2_    18     1.38664   111.76016  -171.37643
   19    18 S   H    _HN2    19     1.01582   118.97833     0.73088
   20    18 S   CT1  _CA2    20     1.46224   123.28920   175.71381
   21    20 S   HC   _HA2    21     1.09745   109.34325     1.20918
   22    20 S   C    _C2_    22     1.53576   108.48379  -114.04659
   23    22 S   O    _O2_    23     1.23045   122.32438  -148.35689
   24    20 S   CT   _CB2    32     1.53364   111.80529   123.30474
   25    24 S   HC   HB21    33     1.09489   109.89973    55.78968
   26    24 S   HC   HB22    34     1.09439   109.78777   174.81129
   27    22 S   N    _N3_    24     1.38341   113.65479    39.14181
   28    27 S   H    _HN3    25     1.01583   119.56743    -3.39067
   29    24 S   S    _SG2    35     1.82902   111.18689   -65.20359
   30    27 S   CT   _CA3    26     1.45281   123.24910   177.12615
   31    30 S   HC   HA31    27     1.09548   107.52605   -64.32718
   32    30 S   HC   HA32    28     1.09555   107.97827    52.12387
   33    29 S   CT   _C17    36     1.85139   100.66019  -174.64467
   34    30 S   CO3  _C3_    29     1.52964   114.04106   174.10532
   35    34 S   O2Z  _O31    30     1.26383   116.05982    -0.65879
   36    34 S   O2Z  _O32    31     1.26423   114.42457   179.39574
   37    33 S   CO4  _C12    37     1.52731   107.27980   -67.10218
   38    37 S   O    _O17    38     1.23110   123.19384    98.71122
   39    33 S   OS   _O19    65     1.43328   112.96126    48.31810
   40    37 S   CM   _C10    39     1.48501   118.39156   -79.06151
   41    40 S   HC   _H26    40     1.08480   114.82164   163.80983
   42    39 S   CT   _C18    66     1.42066   116.50128    73.93393
   43    42 S   HC   _H32    67     1.09371   107.90182  -171.64313
   44    42 S   HC   _H33    68     1.09336   110.76953    70.63096
   45    42 S   HC   _H34    69     1.09312   111.74800   -52.85101
   46    40 S   CM   _C11    41     1.34178   123.21443   -13.83701
   47    46 S   CO4  _C13    42     1.49978   118.46248    -5.09024
   48    47 S   O    _O18    43     1.23083   120.83054   177.86421
   49    46 S   CT   _C19    47     1.52818   125.12954   176.71127
   50    49 S   HC   _H35    48     1.10029   106.27400   141.84957
   51    33 S   CT   _C16    44     1.52791   110.53572   175.06763
   52    51 S   HC   _H30    45     1.09740   110.66783   -54.06565
   53    51 S   HC   _H31    46     1.09808   110.36027  -171.66181
   54    49 S   CA   _C9_    49     1.52656   111.50905  -101.30686
   55    49 S   CM   _C15    60     1.51807   114.18736    25.59118
   56    55 S   HC   _H29    61     1.08811   118.17773   -70.27506
   57    54 S   CA   _C7_    50     1.40523   121.50616    61.43668
   58    57 S   HA   _H24    51     1.08696   120.71618     0.24945
   59    55 S   CM   _C14    62     1.33928   124.07187   110.39241
   60    59 S   HC   _H27    63     1.08485   120.43995   179.64064
   61    59 S   HC   _H28    64     1.08455   121.73142    -0.35277
   62    57 S   CA   _C5_    52     1.39556   120.66451  -179.93147
   63    62 S   HA   _H22    53     1.08589   119.90339  -179.73681
   64    62 S   CA   _C4_    54     1.39253   120.14968     0.12033
   65    64 S   HA   _H21    55     1.08637   119.96031   179.92087
   66    64 S   CA   _C6_    56     1.39282   119.88539    -0.16071
   67    66 S   HA   _H23    57     1.08624   119.95274  -180.00000
   68    54 S   CA   _C8_    58     1.40402   119.99071  -118.56622
   69    68 S   HA   _H25    59     1.08737   120.44972     0.09065
  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  10   5   4   3
  15   2   1   1  11   5   9   9   3   4   2   1   1  13   8   4
  14   6   2   1   1  12   6   3   8   4   2   1   1   6   3   5
   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    52    53    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    51    52    53    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    51    52    53    49    39    42  
   40    41    46    51    39  
   42    43    44    45    40    47    51    52    53  
   41    46    47    48    51    49    50    54    55  
   46    47    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    51    52    53    49    50    54    57    68    55    56    59  
   48    51    52    53    49    50    54    55  
   51    52    53    49  
   50    54    57    58    62    66    68    69    55    56    59    60    61    51  
   54    57    68    55    56    59  
   52    53  
   53  
    0  
   57    58    62    63    64    66    67    68    69    55    56    59  
   56    59    60    61    57    68  
   59    60    61  
   58    62    63    64    65    66    68    69  
   62    63    64    68  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    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  -0.316400   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   0.396900   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   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.522
   33    51   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    41   340.000  1.080
   40    46   549.000  1.340
   46    47   320.000  1.462
   46    49   317.000  1.510
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   49    50   340.000  1.090
   49    54   317.000  1.510
   49    55   317.000  1.510
   54    57   469.000  1.400
   54    68   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    51    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    39    42    60.00000  109.50000
   37    40    41    40.00000  117.72500
   37    40    46    65.00000  118.96000
   40    37    38    80.00000  123.72100
   40    46    47    65.00000  118.96000
   40    46    49    70.00000  124.00000
   46    40    41    35.00000  120.00000
   46    47    48    80.00000  123.72100
   46    47    51    65.00000  118.62400
   46    49    50    35.00000  109.50000
   46    49    54    70.00000  112.99600
   46    49    55    70.00000  110.12100
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   53    51    52    33.00000  107.80000
   49    46    47    65.00000  116.34900
   49    54    57    70.00000  120.00000
   49    54    68    70.00000  120.00000
   49    55    56    35.00000  117.00000
   49    55    59    70.00000  124.00000
   54    49    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    62    63.00000  120.00000
   54    68    66    63.00000  120.00000
   54    68    69    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    64    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   68    54    57    63.00000  120.00000
   68    66    67    35.00000  120.00000
   55    49    50    35.00000  109.50000
   55    49    54    70.00000  112.99600
   55    59    60    35.00000  120.00000
   55    59    61    35.00000  120.00000
   59    55    56    35.00000  120.00000
   61    59    60    35.00000  117.00000
   39    33    37    90.00000  108.74100
   39    33    51    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.04550  1.0 1.0
   33    37    40    41   0.83000 -1.0 2.0
   33    37    40    41  -0.04000  1.0 3.0
   33    37    40    46  -0.33500  1.0 1.0
   33    37    40    46   1.06600 -1.0 2.0
   33    37    40    46  -0.14000  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    53  -0.11250  1.0 3.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40   -46    47   7.00000 -1.0 2.0
   37    40    46    49   7.00000 -1.0 2.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    46   1.00000 -1.0 2.0
   40    46    47    48   1.00000 -1.0 2.0
   40    46    47    51  -0.33500  1.0 1.0
   40    46    47    51   1.06600 -1.0 2.0
   40    46    47    51  -0.14000  1.0 3.0
   40    46    49    50   0.00000  1.0 1.0
   40    46    49    54   1.44450  1.0 1.0
   40    46    49    54   0.06600 -1.0 2.0
   40    46    49    54   0.29250  1.0 3.0
   40    46    49    55  -0.28300  1.0 1.0
   40    46    49    55   0.26700 -1.0 2.0
   40    46    49    55  -0.63300  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    49   7.00000 -1.0 2.0
   46    47   -51    33   0.65300  1.0 1.0
   46    47   -51    33  -0.03850 -1.0 2.0
   46    47   -51    33   0.33900  1.0 3.0
   46    47    51    52   0.00000  1.0 1.0
   46    47    51    53   0.00000  1.0 1.0
   46    49    54    57   0.18050 -1.0 2.0
   46    49    54    68   0.18050 -1.0 2.0
   46    49    55    56   0.00000  1.0 1.0
   46    49    55    59  -0.28300  1.0 1.0
   46    49    55    59   0.26700 -1.0 2.0
   46    49    55    59  -0.63300  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    54   0.09700  1.0 1.0
   47    46    49    54   0.15600 -1.0 2.0
   47    46    49    54  -0.50800  1.0 3.0
   47    46    49    55   0.09700  1.0 1.0
   47    46    49    55   0.15600 -1.0 2.0
   47    46    49    55  -0.50800  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.65300  1.0 1.0
   51    33   -37    40  -0.03850 -1.0 2.0
   51    33   -37    40   0.33900  1.0 3.0
   51    33    39    42   0.06250  1.0 1.0
   51    33    39    42  -0.01100 -1.0 2.0
   51    33    39    42   0.28050  1.0 3.0
   49    46    47    48  -0.64400  1.0 1.0
   49    46    47    48   0.26850 -1.0 2.0
   49    46    47    51   0.25700  1.0 1.0
   49    46    47    51   0.66200 -1.0 2.0
   49    46    47    51   0.04450  1.0 3.0
   49    54    57    58   3.62500 -1.0 2.0
   49    54    57    62   3.62500 -1.0 2.0
   49    54    68    66   3.62500 -1.0 2.0
   49    54    68    69   3.62500 -1.0 2.0
   49    55    59    60   7.00000 -1.0 2.0
   49    55    59    61   7.00000 -1.0 2.0
   50    49    54    57   0.00000  1.0 1.0
   50    49    54    68   0.00000  1.0 1.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    59   0.00000  1.0 1.0
   54    49    55    56   0.00000  1.0 1.0
   54    49    55    59   1.44450  1.0 1.0
   54    49    55    59   0.06600 -1.0 2.0
   54    49    55    59   0.29250  1.0 3.0
   54    57    62    63   3.62500 -1.0 2.0
   54    57    62    64   3.62500 -1.0 2.0
   57    54    68    66   3.62500 -1.0 2.0
   57    54    68    69   3.62500 -1.0 2.0
   57    62    64    65   3.62500 -1.0 2.0
   57    62   -64    66   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    68   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66   -68    54   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   67    66    68    54   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    54    57    58   3.62500 -1.0 2.0
   68    54   -57    62   3.62500 -1.0 2.0
   55    49    54    57   0.18050 -1.0 2.0
   55    49    54    68   0.18050 -1.0 2.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    61   7.00000 -1.0 2.0
   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    51    47  -0.09450  1.0 1.0
   39    33    51    47  -1.12950 -1.0 2.0
   39    33    51    47   0.54000  1.0 3.0
   39    33    51    52   0.23400  1.0 3.0
   39    33    51    53   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    41    40    46   1.10000 -1.0 2.0
   47    49    46    40   1.10000 -1.0 2.0
   46    51    47    48  10.50000 -1.0 2.0
   57    68    54    49   4.00000 -1.0 2.0
   62    58    57    54   1.10000 -1.0 2.0
   64    63    62    57   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    69    68    54   1.10000 -1.0 2.0
   49    56    55    59  15.00000 -1.0 2.0
   60    61    59    55  15.00000 -1.0 2.0
END
