* LIGAND DATABASE FILE (OPLS2005)
*
001      63    66    116    194     344
    1     0 S   NP   _N1_     1    28.59166    94.73219   -22.94511
    2     1 S   H    _HN1     2     1.02779   102.54095   -79.52609
    3     1 S   H    _H1_     3     1.02959    83.61514    27.88600
    4     1 S   H    _H2_     4     1.02836    27.71332   175.78950
    5     1 S   CT   _CA1     5     1.50116   134.76475   140.39349
    6     5 S   HC   _HA1     6     1.09576   105.23080    75.89130
    7     5 S   CO3  _C1_     7     1.53782   112.40637   -44.31919
    8     7 S   O2Z  _O11     8     1.26358   115.00433   -43.69248
    9     7 S   O2Z  _O12     9     1.26240   114.92033   135.50745
   10     5 S   CT   _CB1    10     1.53097   107.43183  -166.20127
   11    10 S   HC   HB11    11     1.09825   109.31711   -50.89123
   12    10 S   HC   HB12    12     1.09819   110.42042    65.65331
   13    10 S   CT   _CG1    13     1.53012   112.68168  -171.99759
   14    13 S   HC   HG11    14     1.09595   110.45247   -64.14101
   15    13 S   HC   HG12    15     1.09655   109.96754    55.08018
   16    13 S   C    _CD1    16     1.51820   112.33160   175.42624
   17    16 S   O    _OE1    17     1.22719   123.26804    -1.43135
   18    16 S   N    _N2_    18     1.38645   111.64037   178.78840
   19    18 S   H    _HN2    19     1.01582   119.00165     1.33823
   20    18 S   CT1  _CA2    20     1.46171   123.37409   179.51705
   21    20 S   HC   _HA2    21     1.09736   109.41503    -5.48262
   22    20 S   C    _C2_    22     1.53475   108.38557  -121.06300
   23    22 S   O    _O2_    23     1.23030   122.17955  -145.14394
   24    20 S   CT   _CB2    32     1.53408   111.63864   116.54269
   25    24 S   HC   HB21    33     1.09593   110.04293    55.92338
   26    24 S   HC   HB22    34     1.09421   109.95669   174.78519
   27    22 S   N    _N3_    24     1.38487   113.47368    42.16549
   28    27 S   H    _HN3    25     1.01507   118.97264    -0.53376
   29    24 S   S    _SG2    35     1.82782   111.78652   -64.88191
   30    27 S   CT   _CA3    26     1.45457   123.46863   175.07479
   31    30 S   HC   HA31    27     1.09520   109.28240    23.80184
   32    30 S   HC   HA32    28     1.09496   107.11948   140.82332
   33    29 S   CT   _C19    36     1.84251    99.51795   176.73685
   34    33 S   HC   _H3_    37     1.09662   107.73817   -42.28914
   35    30 S   CO3  _C3_    29     1.52922   113.04530   -99.69567
   36    35 S   O2Z  _O31    30     1.26406   115.37369   -45.00775
   37    35 S   O2Z  _O32    31     1.26349   114.99714   135.88278
   38    33 S   CM   _C16    38     1.50936   106.86206  -157.24202
   39    38 S   HC   _H26    39     1.08887   116.10780    75.81104
   40    33 S   CT   _C18    60     1.54449   111.38196    78.09969
   41    40 S   HC   _H27    61     1.09578   111.22094   -35.30569
   42    38 S   CM   _C17    40     1.34488   124.16881  -102.59061
   43    40 S   OH   _O17    62     1.43284   108.82846  -152.06462
   44    43 S   HO   _H29    63     0.97233   107.54060    63.93061
   45    42 S   CR3  _C12    41     1.48182   118.87149    -0.06256
   46    42 S   CM   _C15    53     1.45541   121.43893   176.52627
   47    46 S   HC   _H25    54     1.08555   119.13162     6.35875
   48    45 S   CR3  _C10    42     1.41461   117.77686   171.48076
   49    48 S   CA   _C9_    43     1.41298   119.27483  -178.04355
   50    49 S   CA   _C5_    44     1.40373   119.23811   179.43559
   51    50 S   HA   _H20    45     1.08807   120.48270  -179.78786
   52    49 S   CA   _C6_    55     1.40341   119.24438    -0.97739
   53    52 S   HA   _H21    56     1.08816   120.44477  -179.60534
   54    50 S   CA   _C4_    46     1.39547   120.75377     0.50124
   55    54 S   HA   _H19    47     1.08651   119.84728   179.84423
   56    52 S   CA   _C8_    57     1.39668   120.85569    -0.71546
   57    56 S   HA   _H23    58     1.08733   119.15515  -178.15953
   58    54 S   CA   _C7_    48     1.39332   120.25526     0.22900
   59    58 S   HA   _H22    49     1.08719   119.10042   179.45428
   60    45 S   CA   _C13    59     1.40262   121.26324    -8.77185
   61    48 S   CA   _C11    50     1.41631   121.17529     2.45256
   62    61 S   CM   _C14    51     1.47471   119.74434     1.26408
   63    62 S   HC   _H24    52     1.08464   118.69425   177.90034
  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
  12   9   4   6   3   5   3   2   1   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    46    56    60    40    41    43    44  
   38    39    42    60    40    41    43  
   36    37  
   37  
    0  
   39    42    45    48    62    46    47    60    40    41    43  
   42    45    46    40  
   41    43    44    42    45    48    52    56    57    60  
   43    44    45    56    60  
   45    48    49    61    62    63    46    47    56    60  
   44    45    56    60  
   60  
   48    49    50    58    61    62    46    47    52    56    57    60  
   47    60    48    58    61    62    63  
   61    62    63  
   49    50    51    54    58    59    61    62    63    52    53    56    60  
   50    51    54    55    58    61    62    52    53    56    57    60  
   51    54    55    58    59    61    52    53    56  
   54    55    58    52  
   53    56    57    60    54    61  
   56    57    60  
   55    58    59    61    62  
   58    59    61  
   57    60  
   60  
   59    61    62    63  
   61    62  
   61  
   62    63  
   63  
    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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   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    60   490.000  1.398
   48    49   490.000  1.398
   48    61   490.000  1.398
   49    50   469.000  1.400
   49    52   469.000  1.400
   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    59   367.000  1.080
   58    61   469.000  1.400
   61    62   320.000  1.460
   62    63   340.000  1.080
   62    46   549.000  1.340
   46    47   340.000  1.080
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    40   317.000  1.510
   40    41   340.000  1.090
   40    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    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    60    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    60    60.00000  120.93500
   42    46    62    70.00000  123.01800
   42    46    47    35.00000  120.00000
   45    48    49    60.00000  130.80000
   45    48    61    60.00000  130.80000
   45    60    56    70.00000  112.88000
   45    60    40    80.00000  105.07000
   48    49    50    70.00000  112.88000
   48    49    52    70.00000  112.88000
   48    61    58    70.00000  112.88000
   48    61    62    60.00000  120.93500
   49    50    51    35.00000  120.00000
   49    50    54    63.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    62    60.00000  120.93500
   61    48    49    60.00000  130.80000
   61    58    59    35.00000  120.00000
   61    62    63    40.00000  117.26300
   61    62    46    60.00000  123.20500
   62    46    47    35.00000  120.00000
   46    42    45    60.00000  123.20500
   46    62    63    35.00000  120.00000
   52    49    50    63.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    40    70.00000  120.00000
   60    45    48    60.00000  130.80000
   60    56    57    35.00000  120.00000
   60    40    41    35.00000  109.50000
   60    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
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    60   0.56750  1.0 1.0
   29    33    40    60  -0.07550 -1.0 2.0
   29    33    40    60   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    60   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    60   0.21200  1.0 1.0
   38    33    40    60   0.16900 -1.0 2.0
   38    33    40    60  -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    60   0.15800  1.0 1.0
   38    42   -45    60   1.85350 -1.0 2.0
   38    42   -45    60  -0.48700  1.0 3.0
   38    42    46    62   0.28850  1.0 1.0
   38    42    46    62   2.61350 -1.0 2.0
   38    42    46    62   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    61   3.62500 -1.0 2.0
   42    45    60    56   3.62500 -1.0 2.0
   42    45    60    40   3.62500 -1.0 2.0
   45    42    46    62  -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    61    58   3.62500 -1.0 2.0
   45    48   -61    62   3.62500 -1.0 2.0
   45    60   -40    33   0.04150 -1.0 2.0
   45    60    40    41   0.00000  1.0 1.0
   45    60    40    43   0.14300 -1.0 2.0
   45    60    40    43   0.00300  1.0 3.0
   48    45    60    56   3.62500 -1.0 2.0
   48    45    60    40   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   3.62500 -1.0 2.0
   48    49   -52    56   3.62500 -1.0 2.0
   48    61    62    63   0.56550  1.0 3.0
   48    61    62    46   0.15800  1.0 1.0
   48    61    62    46   1.85350 -1.0 2.0
   48    61    62    46  -0.48700  1.0 3.0
   49    48    61    58   3.62500 -1.0 2.0
   49    48    61    62   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   3.62500 -1.0 2.0
   49    52    56    60   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    56   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54    58    61   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   -61    48   3.62500 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61    62    63   0.56550  1.0 3.0
   58    61    62    46   0.15800  1.0 1.0
   58    61    62    46   1.85350 -1.0 2.0
   58    61    62    46  -0.48700  1.0 3.0
   59    58    61    48   3.62500 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   61    48   -49    50   3.62500 -1.0 2.0
   61    48    49    52   3.62500 -1.0 2.0
   61    62   -46    42   7.00000 -1.0 2.0
   61    62    46    47   7.00000 -1.0 2.0
   63    62    46    42   7.00000 -1.0 2.0
   63    62    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    60   0.15800  1.0 1.0
   46    42    45    60   1.85350 -1.0 2.0
   46    42    45    60  -0.48700  1.0 3.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    54   3.62500 -1.0 2.0
   52    56   -60    45   3.62500 -1.0 2.0
   52    56    60    40   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    40    33   0.04150 -1.0 2.0
   56    60    40    41   0.00000  1.0 1.0
   56    60    40    43   0.14300 -1.0 2.0
   56    60    40    43   0.00300  1.0 3.0
   57    56    60    45   3.62500 -1.0 2.0
   57    56    60    40   3.62500 -1.0 2.0
   60    45   -48    49   3.62500 -1.0 2.0
   60    45    48    61   3.62500 -1.0 2.0
   60    40    43    44   0.31900  1.0 1.0
   60    40    43    44  -0.11800 -1.0 2.0
   60    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
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    60    45    42   4.00000 -1.0 2.0
   49    61    48    45   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
   61    59    58    54   1.10000 -1.0 2.0
   58    62    61    48   4.00000 -1.0 2.0
   61    63    62    46   1.10000 -1.0 2.0
   42    47    46    62   1.10000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    40    60    45   4.00000 -1.0 2.0
END
