* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    100    159     294
    1     0 S   NP   _N1_     1    29.79072    94.11720   -17.43284
    2     1 S   H    _HN1     2     1.03009   122.75915    88.12129
    3     1 S   H    _H1_     3     1.02849    22.35458   135.19334
    4     1 S   H    _H2_     4     1.02776    87.17487   -21.47926
    5     1 S   CT   _CA1     5     1.49910   112.61137  -134.69768
    6     5 S   HC   _HA1     6     1.09584   105.03756    33.50258
    7     5 S   CO3  _C1_     7     1.53869   112.44246   -86.68676
    8     7 S   O2Z  _O11     8     1.26386   115.18103   -51.08505
    9     7 S   O2Z  _O12     9     1.26247   114.85555   128.27345
   10     5 S   CT   _CB1    10     1.53204   108.02197   151.36853
   11    10 S   HC   HB11    11     1.09816   109.80316   -46.96684
   12    10 S   HC   HB12    12     1.09748   110.79190    69.82300
   13    10 S   CT   _CG1    13     1.53033   111.98055  -167.71393
   14    13 S   HC   HG11    14     1.09547   111.08663   -60.33676
   15    13 S   HC   HG12    15     1.09624   110.62453    58.34761
   16    13 S   C    _CD1    16     1.51446   110.44605   177.64167
   17    16 S   O    _OE1    17     1.22838   121.59295   -82.78221
   18    16 S   N    _N2_    18     1.38360   113.03802    95.92429
   19    18 S   H    _HN2    19     1.01582   119.16136     2.15231
   20    18 S   CT1  _CA2    20     1.46379   123.49264  -179.91607
   21    20 S   HC   _HA2    21     1.09730   109.48388    -2.24960
   22    20 S   C    _C2_    22     1.53433   108.46433  -118.01099
   23    22 S   O    _O2_    23     1.23031   122.19205  -144.22012
   24    20 S   CT   _CB2    32     1.53361   111.17497   119.80625
   25    24 S   HC   HB21    33     1.09565   109.42505    56.20604
   26    24 S   HC   HB22    34     1.09497   110.87382   174.97422
   27    22 S   N    _N3_    24     1.38490   113.53498    43.06838
   28    27 S   H    _HN3    25     1.01491   119.06886    -0.17017
   29    24 S   S    _SG2    35     1.82829   111.16257   -65.40005
   30    27 S   CT   _CA3    26     1.45441   123.25923   175.45899
   31    30 S   HC   HA31    27     1.09537   109.02145    28.29583
   32    30 S   HC   HA32    28     1.09491   107.15893   145.24711
   33    29 S   CT   _C10    36     1.82461    99.79530   150.35260
   34    33 S   HC   _H3_    37     1.08681   108.66008   -36.72509
   35    30 S   CO3  _C3_    29     1.52936   113.33473   -95.04868
   36    35 S   O2Z  _O31    30     1.26385   115.51281   -42.43891
   37    35 S   O2Z  _O32    31     1.26374   114.91692   138.55163
   38    33 S   CM   _C9_    38     1.50962   109.78291  -159.31338
   39    38 S   CM   _C8_    39     1.36121   126.81579   100.49851
   40    38 S   C    _C13    50     1.50900   113.75753   -75.44961
   41    40 S   O    _O35    51     1.22845   123.02767   142.26337
   42    39 S   CM   _C4_    40     1.45731   124.32608   177.04919
   43    42 S   HC   _H4_    41     1.08869   116.86481   -22.24746
   44    40 S   N    _N5_    52     1.38372   115.54522   -33.89544
   45    44 S   H    _H6_    53     1.01552   115.57596  -174.98249
   46    42 S   CMA  _C5_    42     1.34806   126.22948   158.27485
   47    46 S   OM   _O38    43     1.26226   129.36076  -179.21865
   48    44 S   C    _C12    54     1.37903   128.63613     8.50422
   49    48 S   O    _O36    55     1.22229   125.35914  -177.79008
   50    46 S   C    _C6_    44     1.51266   115.15775    -0.17359
   51    50 S   O    _O33    45     1.23186   122.74787  -164.36070
   52    33 S   CO4  _C11    56     1.50682   109.80119    77.04203
   53    52 S   O    _O37    57     1.22518   123.72134   -91.10385
   54    50 S   N    _N4_    46     1.38370   116.28339    16.18537
   55    54 S   H    _H5_    47     1.01821   116.02810   169.93559
   56    39 S   C    _C7_    48     1.50340   121.29589    -3.16620
   57    56 S   O    _O34    49     1.22511   124.99720    26.18962
  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   8   5   4   3
  12   6   2   1   1  14  13   8   3   8   4   5   3   6   3   3
   2   5   3   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    56    40    41    44    48    49    52    53  
   38    39    40    48    52    53  
   36    37  
   37  
    0  
   39    42    43    46    54    56    57    40    41    44    45    48    52    53  
   42    43    46    47    50    54    55    56    57    40    41    44    52  
   41    44    45    48    49    52    42    56  
   44    45    48  
   43    46    47    50    51    54    56    57  
   46    47    50    56  
   45    48    49    52    53  
   48    49    52  
   47    50    51    54    55    56  
   50    51    54  
   49    52    53  
   52    53  
   51    54    55    56    57  
   54    55    56  
   53  
    0  
   55    56    57  
   56    57  
   57  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   317.000  1.522
   38    39   549.000  1.340
   38    40   410.000  1.444
   39    42   380.000  1.444
   39    56   410.000  1.444
   42    43   340.000  1.080
   42    46   465.000  1.376
   46    47   745.000  1.250
   46    50   410.000  1.444
   50    51   570.000  1.229
   50    54   490.000  1.335
   54    55   434.000  1.010
   54    56   490.000  1.335
   56    57   570.000  1.229
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    48   490.000  1.335
   48    49   570.000  1.229
   48    52   250.000  1.524
   52    53   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  119.70000
   33    52    48    65.00000  114.64000
   33    52    53    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    42    70.00000  123.01800
   38    39    56    70.00000  118.70000
   38    40    41    80.00000  125.30000
   38    40    44    80.00000  111.56200
   39    42    43    35.00000  120.00000
   39    42    46    70.00000  117.34000
   39    56    54    80.00000  111.56200
   39    56    57    80.00000  125.30000
   42    46    47    65.00000  137.10300
   42    46    50    70.00000  118.70000
   46    42    43    40.00000  120.50800
   46    50    51    80.00000  125.30000
   46    50    54    80.00000  111.56200
   50    46    47    65.00000  121.00000
   50    54    55    35.00000  119.80000
   50    54    56    70.00000  121.37400
   54    50    51    80.00000  122.90000
   54    56    57    80.00000  122.90000
   56    39    42    70.00000  118.70000
   56    54    55    35.00000  119.80000
   40    38    39    70.00000  118.70000
   40    44    45    35.00000  119.80000
   40    44    48    70.00000  121.37400
   44    40    41    80.00000  122.90000
   44    48    49    80.00000  122.90000
   44    48    52    75.00000  110.04500
   48    44    45    35.00000  119.80000
   48    52    53    80.00000  120.92000
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  109.06800
   52    48    49    75.00000  120.27800
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    52    48   0.65300  1.0 1.0
   29    33    52    48  -0.03850 -1.0 2.0
   29    33    52    48   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    56   7.00000 -1.0 2.0
   33    38    40    41  -0.64400  1.0 1.0
   33    38    40    41   0.26850 -1.0 2.0
   33    38    40    44   1.59650  1.0 1.0
   33    38    40    44   0.42750 -1.0 2.0
   33    38    40    44  -0.48350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    52    48   0.00000  1.0 1.0
   34    33    52    53   0.00000  1.0 1.0
   38    33    52    48   0.65300  1.0 1.0
   38    33    52    48  -0.03850 -1.0 2.0
   38    33    52    48   0.33900  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
   38    39    42    43  -0.18600  1.0 3.0
   38    39    42    46   0.28850  1.0 1.0
   38    39    42    46   2.61350 -1.0 2.0
   38    39    42    46   0.78400  1.0 3.0
   38    39    56    54   0.49500  1.0 1.0
   38    39    56    54   1.31600 -1.0 2.0
   38    39    56    54  -0.02300  1.0 3.0
   38    39    56    57   1.00000 -1.0 2.0
   38    40    44    45   2.56700 -1.0 2.0
   38    40   -44    48   2.45000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    44   0.49500  1.0 1.0
   39    38    40    44   1.31600 -1.0 2.0
   39    38    40    44  -0.02300  1.0 3.0
   39    42    46    47   7.00000 -1.0 2.0
   39    42    46    50   7.00000 -1.0 2.0
   42    39    56    54   0.49500  1.0 1.0
   42    39    56    54   1.31600 -1.0 2.0
   42    39    56    54  -0.02300  1.0 3.0
   42    39    56    57   1.00000 -1.0 2.0
   42    46    50    51   1.00000 -1.0 2.0
   42    46   -50    54   0.49500  1.0 1.0
   42    46   -50    54   1.31600 -1.0 2.0
   42    46   -50    54  -0.02300  1.0 3.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   46    50    54    55   2.56700 -1.0 2.0
   46    50    54    56   2.45000 -1.0 2.0
   47    46    50    51  -0.11900  1.0 1.0
   47    46    50    51   0.76850 -1.0 2.0
   47    46    50    51   0.14100  1.0 3.0
   47    46    50    54   1.50000 -1.0 2.0
   50    54   -56    39   2.45000 -1.0 2.0
   50    54    56    57   2.22250 -1.0 2.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    56   2.22250 -1.0 2.0
   55    54    56    39   2.56700 -1.0 2.0
   55    54    56    57   2.45000 -1.0 2.0
   56    39    42    43   0.00000  1.0 1.0
   56    39   -42    46  -0.18600  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    56   7.00000 -1.0 2.0
   40    44    48    49   2.22250 -1.0 2.0
   40    44    48    52   2.45000 -1.0 2.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    48   2.22250 -1.0 2.0
   44    48   -52    33   0.43900  1.0 1.0
   44    48   -52    33  -0.18150 -1.0 2.0
   44    48   -52    33  -0.03650  1.0 3.0
   44    48    52    53   0.03000  1.0 1.0
   44    48    52    53   0.58800 -1.0 2.0
   44    48    52    53   0.15550  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    52   2.56700 -1.0 2.0
   49    48    52    33   0.49600 -1.0 2.0
   49    48    52    53   0.06100 -1.0 2.0
   52    33    38    39  -0.51250  1.0 1.0
   52    33    38    39  -0.88800 -1.0 2.0
   52    33    38    39   0.08850  1.0 3.0
   52    33   -38    40   0.09700  1.0 1.0
   52    33   -38    40   0.15600 -1.0 2.0
   52    33   -38    40  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   42    56    39    38   1.10000 -1.0 2.0
   39    43    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   55    50    54    56   1.00000 -1.0 2.0
   39    54    56    57  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   45    40    44    48   1.00000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
   33    48    52    53  10.50000 -1.0 2.0
END
