* LIGAND DATABASE FILE (OPLS2005)
*
001      64    67    117    196     348
    1     0 S   NP   _N1_     1    28.79642    95.46947   -24.80225
    2     1 S   H    _HN1     2     1.02948    76.64878     7.79991
    3     1 S   H    _H1_     3     1.02827    30.78624   178.90157
    4     1 S   H    _H2_     4     1.02788   114.18387   -96.59161
    5     1 S   CT   _CA1     5     1.50121   127.47526   113.43049
    6     5 S   HC   _HA1     6     1.09572   105.18076    89.11779
    7     5 S   CO3  _C1_     7     1.53785   112.48535   -31.10899
    8     7 S   O2Z  _O11     8     1.26376   115.00314   -41.87438
    9     7 S   O2Z  _O12     9     1.26240   114.95039   137.22765
   10     5 S   CT   _CB1    10     1.53074   107.41656  -152.88441
   11    10 S   HC   HB11    11     1.09836   109.36631   -49.42291
   12    10 S   HC   HB12    12     1.09812   110.45002    67.18690
   13    10 S   CT   _CG1    13     1.52999   112.61827  -170.37831
   14    13 S   HC   HG11    14     1.09576   110.67495   -66.29468
   15    13 S   HC   HG12    15     1.09671   109.74487    52.94408
   16    13 S   C    _CD1    16     1.51802   112.15166   173.42046
   17    16 S   O    _OE1    17     1.22739   123.25717     9.21051
   18    16 S   N    _N2_    18     1.38654   111.73059  -170.88883
   19    18 S   H    _HN2    19     1.01578   118.93885     1.54282
   20    18 S   CT1  _CA2    20     1.46198   123.38975   177.13488
   21    20 S   HC   _HA2    21     1.09735   109.34399     5.17949
   22    20 S   C    _C2_    22     1.53599   108.68670  -110.35294
   23    22 S   O    _O2_    23     1.23071   122.24068  -147.79582
   24    20 S   CT   _CB2    32     1.53348   111.62669   127.20751
   25    24 S   HC   HB21    33     1.09519   109.87119    56.55644
   26    24 S   HC   HB22    34     1.09515   110.11725   175.63220
   27    22 S   N    _N3_    24     1.38314   113.78539    39.62434
   28    27 S   H    _HN3    25     1.01568   119.62020    -3.15418
   29    24 S   S    _SG2    35     1.82668   111.56623   -64.40943
   30    27 S   CT   _CA3    26     1.45288   123.24251   177.21765
   31    30 S   HC   HA31    27     1.09548   107.50307   -64.92728
   32    30 S   HC   HA32    28     1.09556   107.99972    51.52115
   33    29 S   CT   _C19    36     1.84053    99.80524  -171.89654
   34    33 S   HC   _H3_    37     1.09811   106.47331    57.66797
   35    30 S   CO3  _C3_    29     1.52970   114.06369   173.53110
   36    35 S   O2Z  _O31    30     1.26379   116.07353    -0.44543
   37    35 S   O2Z  _O32    31     1.26427   114.41297   179.61285
   38    33 S   CM   _C16    38     1.51306   108.84316   171.26270
   39    38 S   HC   _H26    39     1.08868   117.80394   -30.46397
   40    33 S   CT   _C18    49     1.54599   113.63034   -62.28114
   41    40 S   HC   _H27    50     1.09642   109.16294    73.81989
   42    38 S   CM   _C17    40     1.34631   122.91368   154.32866
   43    40 S   OH   _O18    51     1.43075   110.71393   -44.25216
   44    43 S   HO   _H30    52     0.97192   108.92369  -154.45984
   45    42 S   CR3  _C11    41     1.48389   118.92663    -0.91043
   46    42 S   CM   _C15    61     1.45470   121.44005   174.82547
   47    46 S   HC   _H25    62     1.08554   119.17492     8.00611
   48    45 S   CR3  _C9_    42     1.41509   118.01008   169.33450
   49    48 S   CA   _C8_    43     1.41455   119.41412  -177.35218
   50    49 S   CA   _C4_    44     1.41032   118.60327    -1.08787
   51    50 S   HA   _H20    45     1.08842   120.40077  -179.65622
   52    49 S   CA   _C13    53     1.40961   118.38587   179.31643
   53    50 S   CA   _C6_    46     1.39660   121.36371    -0.93503
   54    53 S   HA   _H22    47     1.08716   119.21358  -177.89457
   55    52 S   CA   _C7_    54     1.39597   121.53902     0.57777
   56    55 S   HA   _H23    55     1.08643   120.90177   179.85329
   57    52 S   OH   _O17    63     1.37199   119.22607  -179.64612
   58    57 S   HO   _H29    64     0.97227   108.87318  -179.96044
   59    45 S   CA   _C12    48     1.40321   120.90680   -10.73869
   60    55 S   CA   _C5_    56     1.39226   119.84044     0.27268
   61    60 S   HA   _H21    57     1.08737   119.06200   179.38134
   62    48 S   CA   _C10    58     1.41760   120.79520     3.17915
   63    62 S   CM   _C14    59     1.47528   119.88990     1.47777
   64    63 S   HC   _H24    60     1.08474   118.68467   177.36664
  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
  12   7   2   1   1  11   4  10   5  10   4   1  12   7   3  13
  13   8   4   8   2   1   7   4   2   1   1   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    59    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    53    59    40    41    43    44    46  
   38    39    42    59    40    41    43  
   36    37  
   37  
    0  
   39    42    45    48    59    40    41    43    63    46    47  
   42    45    40    46  
   41    43    44    42    45    48    50    53    54    59  
   43    44    45    53    59  
   45    48    49    53    59    62    63    64    46    47  
   44    45    53    59  
   59  
   48    49    50    53    54    59    52    60    62    63    46    47  
   47    48    59    60    62    63    64  
   62    63    64  
   49    50    51    53    59    52    55    60    61    62    63    64    57  
   50    51    53    54    59    52    55    56    60    62    63    57    58  
   51    53    54    59    52    55    62    57  
   53    54    59    52  
   55    56    60    61    62    57    58    53  
   54    59  
   59  
   56    60    61    62    63    57    58  
   60    61    62    57  
   58    60  
    0  
   62  
   61    62    63    64  
   62    63  
   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   0.107500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   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   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    45   320.000  1.460
   42    46   380.000  1.444
   45    48   490.000  1.398
   45    59   490.000  1.398
   48    49   490.000  1.398
   48    62   490.000  1.398
   49    50   469.000  1.400
   49    52   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    40   317.000  1.510
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   52    55   469.000  1.400
   52    57   450.000  1.364
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   320.000  1.460
   63    64   340.000  1.080
   63    46   549.000  1.340
   46    47   340.000  1.080
   57    58   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    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    59    70.00000  112.17500
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    45    60.00000  123.20500
   38    42    46    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    45    48    60.00000  120.93500
   42    45    59    60.00000  120.93500
   42    46    63    70.00000  123.01800
   42    46    47    35.00000  120.00000
   45    48    49    60.00000  130.80000
   45    48    62    60.00000  130.80000
   45    59    53    70.00000  112.88000
   45    59    40    80.00000  105.07000
   48    49    50    70.00000  112.88000
   48    49    52    70.00000  112.88000
   48    62    60    70.00000  112.88000
   48    62    63    60.00000  120.93500
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    55    63.00000  120.00000
   49    52    57    70.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    59    40    70.00000  120.00000
   59    45    48    60.00000  130.80000
   59    53    54    35.00000  120.00000
   59    40    41    35.00000  109.50000
   59    40    43    90.00000  112.51600
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   52    49    50    63.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    60    63.00000  120.00000
   52    57    58    35.00000  113.00000
   55    60    61    35.00000  120.00000
   55    60    62    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    62    63    60.00000  120.93500
   62    48    49    60.00000  130.80000
   62    60    61    35.00000  120.00000
   62    63    64    40.00000  117.26300
   62    63    46    60.00000  123.20500
   63    46    47    35.00000  120.00000
   46    42    45    60.00000  123.20500
   46    63    64    35.00000  120.00000
   57    52    55    70.00000  120.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    59   0.56750  1.0 1.0
   29    33    40    59  -0.07550 -1.0 2.0
   29    33    40    59   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    59   0.43200  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    59   0.21200  1.0 1.0
   38    33    40    59   0.16900 -1.0 2.0
   38    33    40    59  -1.15100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   1.05650  1.0 1.0
   38    33    40    43   0.15600 -1.0 2.0
   38    33    40    43   0.53150  1.0 3.0
   38    42    45    48   0.15800  1.0 1.0
   38    42    45    48   1.85350 -1.0 2.0
   38    42    45    48  -0.48700  1.0 3.0
   38    42   -45    59   0.15800  1.0 1.0
   38    42   -45    59   1.85350 -1.0 2.0
   38    42   -45    59  -0.48700  1.0 3.0
   38    42    46    63   0.28850  1.0 1.0
   38    42    46    63   2.61350 -1.0 2.0
   38    42    46    63   0.78400  1.0 3.0
   38    42    46    47  -0.18600  1.0 3.0
   39    38    42    45   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    45    48    49   3.62500 -1.0 2.0
   42    45    48    62   3.62500 -1.0 2.0
   42    45    59    53   3.62500 -1.0 2.0
   42    45    59    40   3.62500 -1.0 2.0
   45    42    46    63  -0.18600  1.0 3.0
   45    42    46    47   0.00000  1.0 1.0
   45    48    49    50   3.62500 -1.0 2.0
   45    48    49    52   3.62500 -1.0 2.0
   45    48    62    60   3.62500 -1.0 2.0
   45    48   -62    63   3.62500 -1.0 2.0
   45    59   -40    33   0.04150 -1.0 2.0
   45    59    40    41   0.00000  1.0 1.0
   45    59    40    43   0.14300 -1.0 2.0
   45    59    40    43   0.00300  1.0 3.0
   48    45    59    53   3.62500 -1.0 2.0
   48    45    59    40   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49   -50    53   3.62500 -1.0 2.0
   48    49    52    55   3.62500 -1.0 2.0
   48    49    52    57   3.62500 -1.0 2.0
   48    62    63    64   0.56550  1.0 3.0
   48    62    63    46   0.15800  1.0 1.0
   48    62    63    46   1.85350 -1.0 2.0
   48    62    63    46  -0.48700  1.0 3.0
   49    48    62    60   3.62500 -1.0 2.0
   49    48    62    63   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    50    53    59   3.62500 -1.0 2.0
   49    52    55    56   3.62500 -1.0 2.0
   49    52   -55    60   3.62500 -1.0 2.0
   49    52    57    58   0.84100 -1.0 2.0
   50    49    52    55   3.62500 -1.0 2.0
   50    49    52    57   3.62500 -1.0 2.0
   50    53   -59    45   3.62500 -1.0 2.0
   50    53    59    40   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    59   3.62500 -1.0 2.0
   53    59    40    33   0.04150 -1.0 2.0
   53    59    40    41   0.00000  1.0 1.0
   53    59    40    43   0.14300 -1.0 2.0
   53    59    40    43   0.00300  1.0 3.0
   54    53    59    45   3.62500 -1.0 2.0
   54    53    59    40   3.62500 -1.0 2.0
   59    45   -48    49   3.62500 -1.0 2.0
   59    45    48    62   3.62500 -1.0 2.0
   59    40    43    44   0.31900  1.0 1.0
   59    40    43    44  -0.11800 -1.0 2.0
   59    40    43    44   0.38750  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42   0.09850  1.0 1.0
   40    33   -38    42   0.15250 -1.0 2.0
   40    33   -38    42  -0.50650  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    53   3.62500 -1.0 2.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55    60    62   3.62500 -1.0 2.0
   55    52    57    58   0.84100 -1.0 2.0
   55    60   -62    48   3.62500 -1.0 2.0
   55    60    62    63   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    62   3.62500 -1.0 2.0
   60    62    63    64   0.56550  1.0 3.0
   60    62    63    46   0.15800  1.0 1.0
   60    62    63    46   1.85350 -1.0 2.0
   60    62    63    46  -0.48700  1.0 3.0
   61    60    62    48   3.62500 -1.0 2.0
   61    60    62    63   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    63   -46    42   7.00000 -1.0 2.0
   62    63    46    47   7.00000 -1.0 2.0
   64    63    46    42   7.00000 -1.0 2.0
   64    63    46    47   7.00000 -1.0 2.0
   46    42   -45    48   0.15800  1.0 1.0
   46    42   -45    48   1.85350 -1.0 2.0
   46    42   -45    48  -0.48700  1.0 3.0
   46    42    45    59   0.15800  1.0 1.0
   46    42    45    59   1.85350 -1.0 2.0
   46    42    45    59  -0.48700  1.0 3.0
   57    52    55    56   3.62500 -1.0 2.0
   57    52    55    60   3.62500 -1.0 2.0
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
   33    39    38    42   1.10000 -1.0 2.0
   45    46    42    38   1.10000 -1.0 2.0
   48    59    45    42   4.00000 -1.0 2.0
   49    62    48    45   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   53    40    59    45   4.00000 -1.0 2.0
   55    57    52    49   4.00000 -1.0 2.0
   60    56    55    52   1.10000 -1.0 2.0
   62    61    60    55   1.10000 -1.0 2.0
   60    63    62    48   4.00000 -1.0 2.0
   62    64    63    46   1.10000 -1.0 2.0
   42    47    46    63   1.10000 -1.0 2.0
END
