* LIGAND DATABASE FILE (OPLS2005)
*
001      58    59    103    167     307
    1     0 S   NP   _N1_     1    28.74235    95.84813   -23.48274
    2     1 S   H    _HN1     2     1.02951    75.43581    13.26037
    3     1 S   H    _H1_     3     1.02826    35.01153   167.43789
    4     1 S   H    _H2_     4     1.02784   104.74233   -92.29284
    5     1 S   CT   _CA1     5     1.50117   137.55434   117.69860
    6     5 S   HC   _HA1     6     1.09574   105.19462    87.18437
    7     5 S   CO3  _C1_     7     1.53784   112.41965   -33.03041
    8     7 S   O2Z  _O11     8     1.26371   115.01036   -43.28527
    9     7 S   O2Z  _O12     9     1.26237   114.94406   135.78997
   10     5 S   CT   _CB1    10     1.53073   107.40121  -154.86914
   11    10 S   HC   HB11    11     1.09834   109.34887   -49.86797
   12    10 S   HC   HB12    12     1.09813   110.45776    66.72618
   13    10 S   CT   _CG1    13     1.52991   112.62418  -170.85591
   14    13 S   HC   HG11    14     1.09584   110.61521   -65.71918
   15    13 S   HC   HG12    15     1.09670   109.80563    53.51775
   16    13 S   C    _CD1    16     1.51807   112.20494   173.93589
   17    16 S   O    _OE1    17     1.22735   123.28089     6.28522
   18    16 S   N    _N2_    18     1.38638   111.67813  -173.70555
   19    18 S   H    _HN2    19     1.01592   118.99073     1.56773
   20    18 S   CT1  _CA2    20     1.46228   123.42919   177.78018
   21    20 S   HC   _HA2    21     1.09737   109.33333     3.95854
   22    20 S   C    _C2_    22     1.53601   108.89400  -111.55846
   23    22 S   O    _O2_    23     1.23072   122.23288  -149.93925
   24    20 S   CT   _CB2    32     1.53440   111.42228   125.91992
   25    24 S   HC   HB21    33     1.09435   109.43870    56.13977
   26    24 S   HC   HB22    34     1.09428   109.88518   174.99504
   27    22 S   N    _N3_    24     1.38319   113.81111    37.64009
   28    27 S   H    _HN3    25     1.01571   119.56640    -3.54387
   29    24 S   S    _SG2    35     1.83282   111.01024   -65.21258
   30    27 S   CT   _CA3    26     1.45279   123.23084   177.08288
   31    30 S   HC   HA31    27     1.09549   107.52371   -64.32667
   32    30 S   HC   HA32    28     1.09557   107.97343    52.11424
   33    29 S   CT   _C9_    36     1.87816   101.70033   174.32947
   34    30 S   CO3  _C3_    29     1.52962   114.07254   174.10558
   35    34 S   O2Z  _O31    30     1.26377   116.07018    -0.45413
   36    34 S   O2Z  _O32    31     1.26428   114.41260   179.60435
   37    33 S   CM   _C10    37     1.50476   107.56045   -63.16287
   38    37 S   HC   _H6_    38     1.09203   115.20853   -60.32401
   39    33 S   CT   _C8_    47     1.57026   109.64257   174.42402
   40    39 S   HC   _H3_    48     1.10070   109.17939   -55.59063
   41    37 S   CMA  _C11    39     1.34681   128.37957   119.29009
   42    41 S   OM   _O37    40     1.26239   128.78167  -179.58883
   43    39 S   CM   _C4_    49     1.50862   112.45384  -172.21026
   44    43 S   HC   _H4_    50     1.09126   114.58734    71.67465
   45    41 S   C    _C12    41     1.51271   115.71855    -0.24309
   46    45 S   O    _O35    42     1.23299   122.33137   178.43702
   47    43 S   CMA  _C5_    51     1.34624   128.34836  -108.27858
   48    47 S   OM   _O38    52     1.26205   129.14965   179.31786
   49    45 S   N    _N5_    43     1.38358   117.40110    -2.19865
   50    49 S   H    _H7_    44     1.01461   115.22439  -178.54842
   51    47 S   C    _C6_    53     1.51272   115.15381    -0.77152
   52    51 S   O    _O33    54     1.23217   122.56154   169.78442
   53    33 S   C    _C13    45     1.53088   105.68847    58.00160
   54    53 S   O    _O36    46     1.23292   122.64053    59.95956
   55    51 S   N    _N4_    55     1.38364   116.61518   -12.94984
   56    55 S   H    _H5_    56     1.01439   115.60584  -169.60992
   57    39 S   C    _C7_    57     1.52503   113.84277    61.55877
   58    57 S   O    _O34    58     1.23116   122.38343   -76.80243
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  12   5  14   7   6   3   9   4   5   3   6   3
   3   2   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    54    39    40    43    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    49    50    53    54    39    40    43    44    47    55    57    58  
   35    36  
   36  
    0  
   38    41    42    45    46    49    53    54    39    40    43    57  
   41    42    45    53    39  
   40    43    44    47    48    51    55    56    57    58    41    49    53    54  
   43    44    47    55    57    58    53  
   42    45    46    49    50    53  
   45    46    49  
   44    47    48    51    52    55    57    58    53  
   47    48    51    57  
   46    49    50    53    54  
   49    50    53  
   48    51    52    55    56    57  
   51    52    55  
   50    53    54  
   53    54  
   52    55    56    57    58  
   55    56    57  
   54    57  
    0  
   56    57    58  
   57    58  
   58  
    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  -0.175000   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   0.007500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   58   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    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    53   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    45   410.000  1.444
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    53   490.000  1.335
   53    54   570.000  1.229
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    57   317.000  1.522
   43    44   340.000  1.080
   43    47   465.000  1.376
   47    48   745.000  1.250
   47    51   410.000  1.444
   51    52   570.000  1.229
   51    55   490.000  1.335
   55    56   434.000  1.010
   55    57   490.000  1.335
   57    58   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    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    53    70.00000  112.33000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    53    49    70.00000  116.60000
   33    53    54    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.02700
   33    39    57    63.00000  111.10000
   37    41    42    65.00000  137.10300
   37    41    45    70.00000  118.70000
   41    37    38    40.00000  120.50800
   41    45    46    80.00000  125.30000
   41    45    49    80.00000  111.56200
   45    41    42    65.00000  121.00000
   45    49    50    35.00000  119.80000
   45    49    53    70.00000  121.37400
   49    45    46    80.00000  122.90000
   49    53    54    80.00000  122.90000
   53    33    37    70.00000  115.00700
   53    49    50    35.00000  119.80000
   39    33    37    70.00000  112.02700
   39    33    53    63.00000  111.10000
   39    43    44    35.00000  117.00000
   39    43    47    70.00000  124.00000
   39    57    55    70.00000  116.60000
   39    57    58    80.00000  120.40000
   43    39    40    35.00000  109.50000
   43    47    48    65.00000  137.10300
   43    47    51    70.00000  118.70000
   47    43    44    40.00000  120.50800
   47    51    52    80.00000  125.30000
   47    51    55    80.00000  111.56200
   51    47    48    65.00000  121.00000
   51    55    56    35.00000  119.80000
   51    55    57    70.00000  121.37400
   55    51    52    80.00000  122.90000
   55    57    58    80.00000  122.90000
   57    39    40    35.00000  109.50000
   57    39    43    70.00000  115.00700
   57    55    56    35.00000  119.80000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    53    49   0.00000  1.0 1.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    57   0.56750  1.0 1.0
   29    33    39    57  -0.07550 -1.0 2.0
   29    33    39    57   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    47   0.09850  1.0 1.0
   33    39    43    47   0.15250 -1.0 2.0
   33    39    43    47  -0.50650  1.0 3.0
   33    39    57    55   1.39750  1.0 1.0
   33    39    57    55  -0.07950 -1.0 2.0
   33    39    57    55  -0.18750  1.0 3.0
   33    39    57    58   0.30150 -1.0 2.0
   37    33    53    49   0.00000  1.0 1.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.31000  1.0 1.0
   37    33    39    43   0.14700 -1.0 2.0
   37    33    39    43   0.07550  1.0 3.0
   37    33    39    57  -0.98800  1.0 1.0
   37    33    39    57   0.48800 -1.0 2.0
   37    33    39    57   0.76800  1.0 3.0
   37    41    45    46   1.00000 -1.0 2.0
   37    41   -45    49   0.49500  1.0 1.0
   37    41   -45    49   1.31600 -1.0 2.0
   37    41   -45    49  -0.02300  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    45   7.00000 -1.0 2.0
   41    45    49    50   2.56700 -1.0 2.0
   41    45    49    53   2.45000 -1.0 2.0
   42    41    45    46  -0.11900  1.0 1.0
   42    41    45    46   0.76850 -1.0 2.0
   42    41    45    46   0.14100  1.0 3.0
   42    41    45    49   1.50000 -1.0 2.0
   45    49   -53    33   2.45000 -1.0 2.0
   45    49    53    54   2.22250 -1.0 2.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    53   2.22250 -1.0 2.0
   50    49    53    33   2.45000 -1.0 2.0
   50    49    53    54   2.45000 -1.0 2.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    41  -0.51250  1.0 1.0
   53    33   -37    41  -0.88800 -1.0 2.0
   53    33   -37    41   0.08850  1.0 3.0
   53    33    39    40  -0.11250  1.0 3.0
   53    33    39    43  -0.98800  1.0 1.0
   53    33    39    43   0.48800 -1.0 2.0
   53    33    39    43   0.76800  1.0 3.0
   53    33    39    57   0.11950  1.0 1.0
   53    33    39    57   0.20300 -1.0 2.0
   53    33    39    57  -0.70800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    53    49   1.39750  1.0 1.0
   39    33    53    49  -0.07950 -1.0 2.0
   39    33    53    49  -0.18750  1.0 3.0
   39    33    53    54   0.30150 -1.0 2.0
   39    43    47    48   7.00000 -1.0 2.0
   39    43    47    51   7.00000 -1.0 2.0
   40    39    43    44   0.33100  1.0 3.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    57    55   0.00000  1.0 1.0
   40    39    57    58   0.00000  1.0 1.0
   43    39    57    55   0.00000  1.0 1.0
   43    39    57    58   0.30150 -1.0 2.0
   43    47    51    52   1.00000 -1.0 2.0
   43    47   -51    55   0.49500  1.0 1.0
   43    47   -51    55   1.31600 -1.0 2.0
   43    47   -51    55  -0.02300  1.0 3.0
   44    43    47    48   7.00000 -1.0 2.0
   44    43    47    51   7.00000 -1.0 2.0
   47    51    55    56   2.56700 -1.0 2.0
   47    51    55    57   2.45000 -1.0 2.0
   48    47    51    52  -0.11900  1.0 1.0
   48    47    51    52   0.76850 -1.0 2.0
   48    47    51    52   0.14100  1.0 3.0
   48    47    51    55   1.50000 -1.0 2.0
   51    55   -57    39   2.45000 -1.0 2.0
   51    55    57    58   2.22250 -1.0 2.0
   52    51    55    56   2.45000 -1.0 2.0
   52    51    55    57   2.22250 -1.0 2.0
   56    55    57    39   2.45000 -1.0 2.0
   56    55    57    58   2.45000 -1.0 2.0
   57    39    43    44   0.00000  1.0 1.0
   57    39   -43    47  -0.51250  1.0 1.0
   57    39   -43    47  -0.88800 -1.0 2.0
   57    39   -43    47   0.08850  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    38    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   41    49    45    46  10.50000 -1.0 2.0
   50    45    49    53   1.00000 -1.0 2.0
   33    49    53    54  10.50000 -1.0 2.0
   39    44    43    47   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   47    55    51    52  10.50000 -1.0 2.0
   56    51    55    57   1.00000 -1.0 2.0
   39    55    57    58  10.50000 -1.0 2.0
END
