* LIGAND DATABASE FILE (OPLS2005)
*
001      64    67    117    196     348
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059   101.39776   -45.43972
    3     1 S   H    _H1_     3     1.02108    75.47706    61.21447
    4     1 S   H    _H2_     4     1.02158    39.01287  -151.05561
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.84343    97.47479   161.86190
   34    33 S   HC   _H3_    37     1.09819   106.26148   -38.74984
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C12    38     1.51234   108.91386    79.99225
   39    33 S   CT   _C19    61     1.54450   112.19207  -156.97944
   40    39 S   HC   _H28    62     1.10311   108.38627   161.76468
   41    38 S   CA   _C6_    39     1.39811   121.06549   -84.56245
   42    41 S   HA   _H22    40     1.08753   120.38988    -3.57845
   43    39 S   OH   _O18    63     1.42468   111.53653    45.37116
   44    43 S   HO   _H30    64     0.97130   106.58031   172.40526
   45    41 S   CA   _C4_    41     1.39725   120.46876   175.50926
   46    45 S   HA   _H20    42     1.08829   118.04475  -179.96044
   47    45 S   CA   _C8_    43     1.40423   120.90468    -1.15403
   48    47 S   CR3  _C9_    44     1.41328   119.30458     1.01914
   49    48 S   CA   _C10    45     1.41669   119.66890  -178.43852
   50    49 S   CA   _C5_    46     1.39854   120.02431    -0.93461
   51    50 S   HA   _H21    47     1.08745   120.82619  -179.91607
   52    49 S   CM   _C14    53     1.47504   119.73873   178.08255
   53    52 S   HC   _H24    54     1.08464   118.64777  -177.37818
   54    50 S   CA   _C7_    48     1.39276   120.09614     0.14402
   55    54 S   HA   _H23    49     1.08711   119.46682  -179.88636
   56    52 S   CM   _C15    55     1.34257   120.68671     2.95347
   57    56 S   HC   _H25    56     1.08570   120.01744   178.93633
   58    47 S   CA   _C13    50     1.40379   121.55325  -178.55531
   59    56 S   CM   _C17    57     1.45470   120.78836     0.46352
   60    58 S   OH   _O17    51     1.36614   121.30871    -0.71217
   61    60 S   HO   _H29    52     0.96915   109.99811   179.72876
   62    38 S   CR3  _C11    58     1.40617   119.78897    91.69032
   63    59 S   CM   _C16    59     1.34623   121.71080   170.37808
   64    63 S   HC   _H26    60     1.08717   120.12308     0.69069
  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   9   5   4   3
  14   7   2   1   1  14   9   5   8   4   4   1   8   3  11  12
  11   9   4   7   3   4   2   5   3   3   3   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    62    63    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    48    59    62    63    64    39    40    43    44  
   38    41    62    63    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    48    49    56    59    62    63    39    40    43  
   40    43    44    41    56    59    62    63    64  
   43    44    59    63    64  
   42    45    46    47    48    58    59    62  
   45    46    47    62  
   44    59    63    64  
   63  
   46    47    48    49    54    58    60    62  
   47    48    58  
   48    49    50    54    55    58    60    61    52    59    62  
   49    50    51    54    58    60    52    53    56    59    62    63  
   50    51    54    55    58    52    53    56    57    59    62  
   51    54    55    58    60    52    53    56    62  
   54    55    58    52  
   53    56    57    59    62    63    54  
   56    57    59  
   55    58    60    61  
   58    60  
   57    59    62    63    64  
   59    62    63  
   60    61    62  
   62    63    64  
   61  
    0  
   63    64  
   64  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.205000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   38    41   469.000  1.400
   38    62   490.000  1.398
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   490.000  1.398
   47    58   469.000  1.400
   48    49   490.000  1.398
   48    62   490.000  1.398
   49    50   469.000  1.400
   49    52   320.000  1.460
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    60   450.000  1.364
   60    61   553.000  0.945
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    59   380.000  1.444
   59    62   320.000  1.460
   59    63   549.000  1.340
   63    64   340.000  1.080
   63    39   317.000  1.510
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    62    80.00000  105.07000
   33    39    63    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    62    48    60.00000  130.80000
   38    62    59    60.00000  120.93500
   41    45    46    35.00000  120.00000
   41    45    47    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    70.00000  112.88000
   45    47    58    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    48    49    60.00000  130.80000
   47    48    62    60.00000  130.80000
   47    58    54    63.00000  120.00000
   47    58    60    70.00000  120.00000
   48    49    50    70.00000  112.88000
   48    49    52    60.00000  120.93500
   48    62    59    60.00000  120.93500
   49    50    51    35.00000  120.00000
   49    50    54    63.00000  120.00000
   49    52    53    40.00000  117.26300
   49    52    56    60.00000  123.20500
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    60    70.00000  120.00000
   58    47    48    70.00000  112.88000
   58    54    55    35.00000  120.00000
   58    60    61    35.00000  113.00000
   52    49    50    60.00000  120.93500
   52    56    57    35.00000  120.00000
   52    56    59    70.00000  123.01800
   56    52    53    35.00000  120.00000
   56    59    62    60.00000  123.20500
   56    59    63    70.00000  123.01800
   59    56    57    35.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    39    70.00000  124.00000
   62    38    41    70.00000  112.88000
   62    48    49    60.00000  130.80000
   63    59    62    60.00000  123.20500
   63    39    40    35.00000  109.50000
   63    39    43    90.00000  110.39200
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    63    64    35.00000  117.00000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    63   0.56750  1.0 1.0
   29    33    39    63  -0.07550 -1.0 2.0
   29    33    39    63   0.20000  1.0 3.0
   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
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    62    48   3.62500 -1.0 2.0
   33    38    62    59   3.62500 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    63   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    63   0.21200  1.0 1.0
   38    33    39    63   0.16900 -1.0 2.0
   38    33    39    63  -1.15100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   1.13150  1.0 1.0
   38    33    39    43  -1.01400 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    47   3.62500 -1.0 2.0
   41    38    62    48   3.62500 -1.0 2.0
   41    38    62    59   3.62500 -1.0 2.0
   41    45   -47    48   3.62500 -1.0 2.0
   41    45    47    58   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   45    47    48    49   3.62500 -1.0 2.0
   45    47    48    62   3.62500 -1.0 2.0
   45    47    58    54   3.62500 -1.0 2.0
   45    47    58    60   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    58   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48    49    52   3.62500 -1.0 2.0
   47    48   -62    38   3.62500 -1.0 2.0
   47    48    62    59   3.62500 -1.0 2.0
   47    58    60    61   0.84100 -1.0 2.0
   48    47    58    54   3.62500 -1.0 2.0
   48    47    58    60   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49   -50    54   3.62500 -1.0 2.0
   48    49    52    53   0.56550  1.0 3.0
   48    49    52    56   0.15800  1.0 1.0
   48    49    52    56   1.85350 -1.0 2.0
   48    49    52    56  -0.48700  1.0 3.0
   49    48    62    38   3.62500 -1.0 2.0
   49    48    62    59   3.62500 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    58   3.62500 -1.0 2.0
   49    52    56    57   7.00000 -1.0 2.0
   49    52   -56    59   7.00000 -1.0 2.0
   50    49    52    53   0.56550  1.0 3.0
   50    49    52    56   0.15800  1.0 1.0
   50    49    52    56   1.85350 -1.0 2.0
   50    49    52    56  -0.48700  1.0 3.0
   50    54   -58    47   3.62500 -1.0 2.0
   50    54    58    60   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58    60    61   0.84100 -1.0 2.0
   55    54    58    47   3.62500 -1.0 2.0
   55    54    58    60   3.62500 -1.0 2.0
   58    47   -48    49   3.62500 -1.0 2.0
   58    47    48    62   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    54   3.62500 -1.0 2.0
   52    56    59    62  -0.18600  1.0 3.0
   52    56    59    63   0.28850  1.0 1.0
   52    56    59    63   2.61350 -1.0 2.0
   52    56    59    63   0.78400  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    59   7.00000 -1.0 2.0
   56    59    62    38   0.15800  1.0 1.0
   56    59    62    38   1.85350 -1.0 2.0
   56    59    62    38  -0.48700  1.0 3.0
   56    59   -62    48   0.15800  1.0 1.0
   56    59   -62    48   1.85350 -1.0 2.0
   56    59   -62    48  -0.48700  1.0 3.0
   56    59    63    64   7.00000 -1.0 2.0
   56    59    63    39   7.00000 -1.0 2.0
   57    56    59    62   0.00000  1.0 1.0
   57    56    59    63  -0.18600  1.0 3.0
   59    63   -39    33   0.09850  1.0 1.0
   59    63   -39    33   0.15250 -1.0 2.0
   59    63   -39    33  -0.50650  1.0 3.0
   59    63    39    40   0.00000  1.0 1.0
   59    63    39    43   0.67800  1.0 1.0
   59    63    39    43   0.47050 -1.0 2.0
   59    63    39    43  -0.62500  1.0 3.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    45   3.62500 -1.0 2.0
   62    48    49    50   3.62500 -1.0 2.0
   62    48   -49    52   3.62500 -1.0 2.0
   62    59    63    64   7.00000 -1.0 2.0
   62    59    63    39   7.00000 -1.0 2.0
   63    59   -62    38   0.15800  1.0 1.0
   63    59   -62    38   1.85350 -1.0 2.0
   63    59   -62    38  -0.48700  1.0 3.0
   63    59    62    48   0.15800  1.0 1.0
   63    59    62    48   1.85350 -1.0 2.0
   63    59    62    48  -0.48700  1.0 3.0
   63    39    43    44  -0.07800  1.0 1.0
   63    39    43    44  -0.21500 -1.0 2.0
   63    39    43    44  -0.03150  1.0 3.0
   64    63    39    33   0.00000  1.0 1.0
   64    63    39    40   0.33100  1.0 3.0
   64    63    39    43   0.00000  1.0 1.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    62   0.04150 -1.0 2.0
   40    39    43    44   0.19450  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
   37    30    35    36  10.50000 -1.0 2.0
   41    62    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   48    58    47    45   4.00000 -1.0 2.0
   49    62    48    47   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   54    51    50    49   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   54    60    58    47   4.00000 -1.0 2.0
   49    53    52    56   1.10000 -1.0 2.0
   59    57    56    52   1.10000 -1.0 2.0
   56    62    59    63   1.10000 -1.0 2.0
   48    59    62    38   4.00000 -1.0 2.0
   39    64    63    59   1.10000 -1.0 2.0
END
