* LIGAND DATABASE FILE (OPLS2005)
*
001      64    67    117    196     348
    1     0 S   NP   _N1_     1    28.94964    95.54813   -20.99214
    2     1 S   H    _HN1     2     1.02778    92.52406   -83.83555
    3     1 S   H    _H1_     3     1.02953    79.68915    24.39833
    4     1 S   H    _H2_     4     1.02825    38.18779   159.92735
    5     1 S   CT   _CA1     5     1.50135   147.16456   136.11961
    6     5 S   HC   _HA1     6     1.09576   105.16641    74.67293
    7     5 S   CO3  _C1_     7     1.53763   112.42743   -45.46322
    8     7 S   O2Z  _O11     8     1.26367   114.94651   -41.66975
    9     7 S   O2Z  _O12     9     1.26248   114.90102   137.26939
   10     5 S   CT   _CB1    10     1.53057   107.39540  -167.39535
   11    10 S   HC   HB11    11     1.09830   109.27216   -49.73237
   12    10 S   HC   HB12    12     1.09817   110.47862    66.86096
   13    10 S   CT   _CG1    13     1.52975   112.65721  -170.75907
   14    13 S   HC   HG11    14     1.09514   110.50409   -66.71642
   15    13 S   HC   HG12    15     1.09669   109.88268    52.49462
   16    13 S   C    _CD1    16     1.51801   112.25186   172.81695
   17    16 S   O    _OE1    17     1.22737   123.27775     4.24035
   18    16 S   N    _N2_    18     1.38642   111.68295  -175.63004
   19    18 S   H    _HN2    19     1.01582   118.94476     0.67666
   20    18 S   CT1  _CA2    20     1.46205   123.32087   177.52702
   21    20 S   HC   _HA2    21     1.09738   109.36061    -4.48354
   22    20 S   C    _C2_    22     1.53442   108.40574  -119.87481
   23    22 S   O    _O2_    23     1.23036   122.34310  -147.96445
   24    20 S   CT   _CB2    32     1.53261   111.63862   117.61345
   25    24 S   HC   HB21    33     1.09494   110.17603    58.11697
   26    24 S   HC   HB22    34     1.09536   110.42205   176.03706
   27    22 S   N    _N3_    24     1.38353   113.53587    39.48572
   28    27 S   H    _HN3    25     1.01623   119.51036    -3.49922
   29    24 S   S    _SG2    35     1.82941   111.42124   -65.38195
   30    27 S   CT   _CA3    26     1.45283   123.18737   177.03687
   31    30 S   HC   HA31    27     1.09550   107.52816   -64.02387
   32    30 S   HC   HA32    28     1.09557   107.95588    52.40009
   33    29 S   CT   _C19    36     1.84137   100.39143   133.23635
   34    33 S   HC   _H3_    37     1.09636   108.00981    44.65015
   35    30 S   CO3  _C3_    29     1.52948   114.09654   174.39059
   36    35 S   O2Z  _O31    30     1.26371   116.05843    -0.47929
   37    35 S   O2Z  _O32    31     1.26426   114.41525   179.57710
   38    33 S   CM   _C16    38     1.50906   108.69052   -73.50115
   39    38 S   HC   _H26    39     1.08807   116.46368    79.71359
   40    33 S   CT   _C18    49     1.54554   109.15279   162.68019
   41    40 S   HC   _H27    50     1.09738   110.80476   -37.43790
   42    38 S   CM   _C17    40     1.34507   124.04266   -99.08410
   43    40 S   OH   _O18    51     1.43289   108.99782  -154.06977
   44    43 S   HO   _H30    52     0.97229   107.51817    63.56297
   45    42 S   CR3  _C10    41     1.48140   118.96416    -0.11364
   46    42 S   CM   _C15    61     1.45336   121.42625   176.45901
   47    46 S   HC   _H25    62     1.08547   119.29432     6.46457
   48    45 S   CR3  _C9_    42     1.41543   117.85790   170.74420
   49    48 S   CA   _C8_    43     1.41431   118.89290  -177.65456
   50    49 S   CA   _C4_    44     1.40361   119.43921    -1.24002
   51    50 S   HA   _H20    45     1.08823   120.44002  -179.57989
   52    49 S   CA   _C5_    53     1.40290   119.37395   179.21516
   53    52 S   HA   _H21    54     1.08816   120.47153  -179.66839
   54    50 S   CA   _C6_    46     1.39603   120.91630    -0.77607
   55    54 S   HA   _H22    47     1.08718   119.21676  -178.06397
   56    52 S   CA   _C7_    55     1.39461   120.81887     0.71272
   57    56 S   HA   _H23    56     1.08641   119.21880   179.72094
   58    45 S   CA   _C12    48     1.40377   121.01683    -9.57879
   59    56 S   CA   _C13    57     1.39389   119.90565     0.30326
   60    48 S   CA   _C11    58     1.41943   121.40149     2.92436
   61    59 S   OH   _O17    63     1.36963   119.46567   179.00201
   62    61 S   HO   _H29    64     0.97185   108.93879     4.42611
   63    60 S   CM   _C14    59     1.47823   119.06451     1.27103
   64    63 S   HC   _H24    60     1.08479   118.80619   178.12216
  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   8   4   7   3   2   1   6   3   1   5   4   2   1   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    58    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    54    58    40    41    43    44    46  
   38    39    42    58    40    41    43  
   36    37  
   37  
    0  
   39    42    45    48    58    40    41    43    63    46    47  
   42    45    40    46  
   41    43    44    42    45    48    50    54    55    58  
   43    44    45    54    58  
   45    48    49    54    58    60    63    64    46    47  
   44    45    54    58  
   58  
   48    49    50    54    55    58    52    59    60    63    46    47  
   47    48    58    59    60    63    64  
   60    63    64  
   49    50    51    54    58    52    53    56    59    60    63    64    61  
   50    51    54    55    58    52    53    56    57    59    60    63  
   51    54    55    58    52    53    56    60  
   54    55    58    52  
   53    56    57    59    60    61    54  
   56    57    59  
   55    58  
   58  
   57    59    60    63    61    62  
   59    60    61  
   60  
   60    63    64    61    62  
   63    64    61    62  
   62    63  
    0  
   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  -0.115000   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   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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    58   490.000  1.398
   48    49   490.000  1.398
   48    60   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    40   317.000  1.510
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    63   320.000  1.460
   63    64   340.000  1.080
   63    46   549.000  1.340
   46    47   340.000  1.080
   61    62   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    58    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    58    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    60    60.00000  130.80000
   45    58    54    70.00000  112.88000
   45    58    40    80.00000  105.07000
   48    49    50    70.00000  112.88000
   48    49    52    70.00000  112.88000
   48    60    59    70.00000  112.88000
   48    60    63    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    40    70.00000  120.00000
   58    45    48    60.00000  130.80000
   58    54    55    35.00000  120.00000
   58    40    41    35.00000  109.50000
   58    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    56    57    35.00000  120.00000
   52    56    59    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60    63.00000  120.00000
   56    59    61    70.00000  120.00000
   59    56    57    35.00000  120.00000
   59    60    63    60.00000  120.93500
   59    61    62    35.00000  113.00000
   60    48    49    60.00000  130.80000
   60    63    64    40.00000  117.26300
   60    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
   61    59    60    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    58   0.56750  1.0 1.0
   29    33    40    58  -0.07550 -1.0 2.0
   29    33    40    58   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    58   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    58   0.21200  1.0 1.0
   38    33    40    58   0.16900 -1.0 2.0
   38    33    40    58  -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    58   0.15800  1.0 1.0
   38    42   -45    58   1.85350 -1.0 2.0
   38    42   -45    58  -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    60   3.62500 -1.0 2.0
   42    45    58    54   3.62500 -1.0 2.0
   42    45    58    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    60    59   3.62500 -1.0 2.0
   45    48   -60    63   3.62500 -1.0 2.0
   45    58   -40    33   0.04150 -1.0 2.0
   45    58    40    41   0.00000  1.0 1.0
   45    58    40    43   0.14300 -1.0 2.0
   45    58    40    43   0.00300  1.0 3.0
   48    45    58    54   3.62500 -1.0 2.0
   48    45    58    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    60    63    64   0.56550  1.0 3.0
   48    60    63    46   0.15800  1.0 1.0
   48    60    63    46   1.85350 -1.0 2.0
   48    60    63    46  -0.48700  1.0 3.0
   49    48    60    59   3.62500 -1.0 2.0
   49    48    60    63   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    59   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    45   3.62500 -1.0 2.0
   50    54    58    40   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    40    33   0.04150 -1.0 2.0
   54    58    40    41   0.00000  1.0 1.0
   54    58    40    43   0.14300 -1.0 2.0
   54    58    40    43   0.00300  1.0 3.0
   55    54    58    45   3.62500 -1.0 2.0
   55    54    58    40   3.62500 -1.0 2.0
   58    45   -48    49   3.62500 -1.0 2.0
   58    45    48    60   3.62500 -1.0 2.0
   58    40    43    44   0.31900  1.0 1.0
   58    40    43    44  -0.11800 -1.0 2.0
   58    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    54   3.62500 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    61   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    59   -60    48   3.62500 -1.0 2.0
   56    59    60    63   3.62500 -1.0 2.0
   56    59    61    62   0.84100 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    61   3.62500 -1.0 2.0
   59    60    63    64   0.56550  1.0 3.0
   59    60    63    46   0.15800  1.0 1.0
   59    60    63    46   1.85350 -1.0 2.0
   59    60    63    46  -0.48700  1.0 3.0
   60    48    49    50   3.62500 -1.0 2.0
   60    48   -49    52   3.62500 -1.0 2.0
   60    59    61    62   0.84100 -1.0 2.0
   60    63   -46    42   7.00000 -1.0 2.0
   60    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    58   0.15800  1.0 1.0
   46    42    45    58   1.85350 -1.0 2.0
   46    42    45    58  -0.48700  1.0 3.0
   61    59    60    48   3.62500 -1.0 2.0
   61    59    60    63   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    58    45    42   4.00000 -1.0 2.0
   49    60    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
   54    40    58    45   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   59    57    56    52   1.10000 -1.0 2.0
   60    61    59    56   4.00000 -1.0 2.0
   59    63    60    48   4.00000 -1.0 2.0
   60    64    63    46   1.10000 -1.0 2.0
   42    47    46    63   1.10000 -1.0 2.0
END
