* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    120    186     345
    1     0 S   NP   _N1_     1    28.03534    96.44877   -22.17582
    2     1 S   H    _HN1     2     1.02957    76.65210    -7.37036
    3     1 S   H    _H1_     3     1.02835    35.99589   139.67741
    4     1 S   H    _H2_     4     1.02776   100.29353  -113.97496
    5     1 S   CT   _CA1     5     1.50155   141.28906    98.65640
    6     5 S   HC   _HA1     6     1.09575   105.18115    83.54084
    7     5 S   CO3  _C1_     7     1.53766   112.35768   -36.60159
    8     7 S   O2Z  _O11     8     1.26371   114.97875   -43.04967
    9     7 S   O2Z  _O12     9     1.26229   114.92824   135.90657
   10     5 S   CT   _CB1    10     1.53081   107.40660  -158.55582
   11    10 S   HC   HB11    11     1.09831   109.27757   -50.08689
   12    10 S   HC   HB12    12     1.09814   110.44425    66.44919
   13    10 S   CT   _CG1    13     1.53045   112.73136  -171.13180
   14    13 S   HC   HG11    14     1.09587   110.55681   -65.93729
   15    13 S   HC   HG12    15     1.09661   109.86251    53.29474
   16    13 S   C    _CD1    16     1.51858   112.20309   173.63943
   17    16 S   O    _OE1    17     1.22772   123.24670     4.05053
   18    16 S   N    _N2_    18     1.38575   111.83348  -175.97533
   19    18 S   H    _HN2    19     1.01567   119.08170     3.68483
   20    18 S   CT1  _CA2    20     1.45810   122.71671   177.16069
   21    20 S   HC   _HA2    21     1.09740   108.85411    26.05495
   22    20 S   C    _C2_    22     1.52953   107.02769   -90.91661
   23    22 S   O    _O2_    23     1.22971   123.06942   -27.33342
   24    20 S   CT   _CB2    32     1.53268   112.42231   149.26457
   25    24 S   HC   HB21    33     1.09536   109.92313    53.63514
   26    24 S   HC   HB22    34     1.09397   109.69974   172.36601
   27    22 S   N    _N3_    24     1.38499   112.52628   155.39278
   28    27 S   H    _HN3    25     1.01653   120.35392    -1.99547
   29    24 S   S    _SG2    35     1.82786   110.84351   -66.84072
   30    27 S   CT   _CA3    26     1.45352   122.51685   178.62172
   31    30 S   HC   HA31    27     1.09565   107.80512   -56.29281
   32    30 S   HC   HA32    28     1.09563   107.62389    60.05535
   33    29 S   CT   _C9_    36     1.85198   101.63329  -170.87719
   34    30 S   CO3  _C3_    29     1.52897   114.28443  -178.14322
   35    34 S   O2Z  _O31    30     1.26343   116.03987     1.21015
   36    34 S   O2Z  _O32    31     1.26435   114.42041  -178.83736
   37    33 S   CT   _C8_    37     1.56659   111.88149   -47.13767
   38    37 S   HC   _H10    38     1.09564   113.44307    77.15761
   39    37 S   HC   _H11    39     1.09586   110.46472   -43.52137
   40    33 S   S    _S1_    60     1.87885   109.41051    72.06161
   41    37 S   C4T  _C7_    40     1.53211   104.38638  -162.02079
   42    41 S   HC   _H5_    41     1.09801   112.09042   -86.98179
   43    40 S   CT   _C13    61     1.81413   101.88504    58.67196
   44    43 S   HC   _H12    62     1.09388   108.30769   172.83683
   45    43 S   HC   _H13    63     1.09130   111.96909    54.09099
   46    43 S   HC   _H14    64     1.09234   111.07970   -69.22727
   47    41 S   C4T  _C6_    42     1.56336   128.24915   125.94617
   48    47 S   HC   _H4_    43     1.09945   111.76600   147.71914
   49    41 S   N4   _N4_    46     1.47002   101.29135    31.27562
   50    47 S   C4   _C11    44     1.55005    85.45972  -101.11916
   51    50 S   O    _O33    45     1.20984   135.93182   174.25304
   52    33 S   CT1  _C10    47     1.56254   114.76945  -163.51652
   53    52 S   HC   _H6_    48     1.09443   112.71599   -96.46323
   54    47 S   CT   _C5_    52     1.52176   118.04740    16.09233
   55    54 S   HC   _H3_    53     1.09445   111.43812   -53.10744
   56    52 S   CO3  _C12    49     1.54697   115.75051    28.60980
   57    56 S   O2Z  _O35    50     1.26351   116.24774    58.02627
   58    56 S   O2Z  _O34    51     1.26515   114.37511  -122.12910
   59    54 S   CT   _C4_    54     1.52216   111.12997  -175.10559
   60    59 S   HC   _H7_    55     1.09581   111.12247   -58.16504
   61    59 S   HC   _H8_    56     1.09522   110.40827  -176.47474
   62    59 S   HC   _H9_    57     1.09385   111.55977    62.63803
   63    54 S   OH   _O36    58     1.42671   108.63807    65.11518
   64    63 S   HO   _H15    59     0.97253   107.99368    64.18912
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  14   7   6   9  13   6   4   2   1   1  13   7
   8   8   2   4   3   7   6   2   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    52    53    56    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    50    49    52    53    56    57    58    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    50    49    52    53    56    54    40    43  
   39    41    42    47    49    52    40  
   41    42    47    49    52    40  
   43    44    45    46    41    49    52    53    56  
   42    47    48    50    51    49    52    53    56    54    55    59    63  
   47    48    50    49    52    54  
   44    45    46    52  
   45    46  
   46  
    0  
   48    50    51    49    52    54    55    59    60    61    62    63    64  
   50    51    49    54    55    59    63  
   52    53    56    57    58    54    50    51  
   51    52    53    56    54    55    59    63  
   52    54  
   53    56    57    58  
   56    57    58  
   55    59    60    61    62    63    64  
   59    60    61    62    63    64  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63  
   62    63  
   63  
   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   260.000  1.519
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    49   305.000  1.456
   47    48   340.000  1.090
   47    50   250.000  1.540
   47    54   260.000  1.519
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    63   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   553.000  0.945
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.98000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    56    63.00000  111.10000
   33    40    43    62.00000   98.90000
   37    41    42    45.00000  112.72800
   37    41    47    65.00000  119.52000
   37    41    49    80.00000  110.05700
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  111.22300
   41    37    39    45.00000  111.22300
   41    47    48    37.50000  110.70000
   41    47    50   100.00000   86.36000
   41    47    54    65.00000  119.52000
   41    49    50   100.00000   93.00000
   41    49    52    50.00000  132.70000
   47    41    42    37.50000  110.70000
   47    50    51    60.00000  136.58000
   47    50    49    95.00000   92.72400
   47    54    55    45.00000  111.22300
   47    54    59    70.00000  112.98000
   47    54    63    50.00000  109.50000
   50    47    48    40.00000  113.37500
   50    49    52    50.00000  132.10000
   49    41    42    50.00000  112.01000
   49    41    47   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    56    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    56    57    70.00000  117.00000
   52    56    58    70.00000  117.00000
   56    52    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
   54    47    48    45.00000  112.72800
   54    47    50    63.00000  111.10000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   54    63    64    55.00000  108.50000
   59    54    55    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    59    50.00000  109.50000
   40    33    37    75.00000  111.63000
   40    33    52    75.00000  108.68000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56  -2.17200  1.0 1.0
   29    33    52    56  -0.85700 -1.0 2.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    47   0.04050  1.0 1.0
   33    37    41    47   0.63700 -1.0 2.0
   33    37    41    47   0.17650  1.0 3.0
   33    37   -41    49   0.43900  1.0 1.0
   33    37   -41    49   0.49100 -1.0 2.0
   33    37   -41    49   0.28400  1.0 3.0
   33    52    56    57   0.00000  1.0 1.0
   33    52    56    58   0.00000  1.0 1.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    46   0.32350  1.0 3.0
   37    33   -52    49   0.42250  1.0 1.0
   37    33   -52    49  -0.48100 -1.0 2.0
   37    33   -52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56  -0.84850  1.0 1.0
   37    33    52    56  -0.22800 -1.0 2.0
   37    33    52    56   0.29250  1.0 3.0
   37    33    40    43   0.01700  1.0 1.0
   37    33    40    43  -0.23550 -1.0 2.0
   37    33    40    43   0.21350  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    50  -0.95700  1.0 1.0
   37    41    47    50  -0.18200 -1.0 2.0
   37    41    47    50   0.29450  1.0 3.0
   37    41    47    54   0.56750  1.0 1.0
   37    41    47    54  -0.07550 -1.0 2.0
   37    41    47    54   0.20000  1.0 3.0
   37    41   -49    50   0.00000  1.0 1.0
   37    41   -49    52   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    47   0.00000  1.0 1.0
   38    37    41    49   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    47   0.00000  1.0 1.0
   39    37    41    49   0.15000  1.0 3.0
   41    47    50    51  -0.11250  1.0 1.0
   41    47    50    51   0.11400 -1.0 2.0
   41    47    50    51  -0.28950  1.0 3.0
   41    47   -50    49   3.00000 -1.0 2.0
   41    47    54    55   0.00000  1.0 1.0
   41    47    54    59   0.04050  1.0 1.0
   41    47    54    59   0.63700 -1.0 2.0
   41    47    54    59   0.17650  1.0 3.0
   41    47    54    63   0.86500  1.0 1.0
   41    47    54    63  -0.17500 -1.0 2.0
   41    47    54    63   0.20800  1.0 3.0
   41    49   -52    33   0.00000  1.0 1.0
   41    49    52    53   0.00000  1.0 1.0
   41    49    52    56   0.00000  1.0 1.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    50   0.15000  1.0 3.0
   42    41    47    54   0.15000  1.0 3.0
   42    41   -49    50   0.00000  1.0 1.0
   42    41    49    52   0.00000  1.0 1.0
   47    41   -49    50   0.00000  1.0 1.0
   47    41    49    52   0.00000  1.0 1.0
   47    50   -49    41   3.00000 -1.0 2.0
   47    50   -49    52   3.00000 -1.0 2.0
   47    54    59    60   0.15000  1.0 3.0
   47    54    59    61   0.15000  1.0 3.0
   47    54    59    62   0.15000  1.0 3.0
   47    54    63    64  -0.11600  1.0 1.0
   47    54    63    64  -0.09450 -1.0 2.0
   47    54    63    64   0.21250  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    49   0.00000  1.0 1.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    59   0.15000  1.0 3.0
   48    47    54    63   0.23400  1.0 3.0
   50    47    54    55  -0.11250  1.0 3.0
   50    47    54    59  -0.95700  1.0 1.0
   50    47    54    59  -0.18200 -1.0 2.0
   50    47    54    59   0.29450  1.0 3.0
   50    47    54    63  -0.09450  1.0 1.0
   50    47    54    63  -1.12950 -1.0 2.0
   50    47    54    63   0.54000  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.00000  1.0 1.0
   51    50   -49    41   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    41   -47    48   0.15000  1.0 3.0
   49    41   -47    50   3.00000 -1.0 2.0
   49    41    47    54   0.43900  1.0 1.0
   49    41    47    54   0.49100 -1.0 2.0
   49    41    47    54   0.28400  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    58   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    41   0.31550 -1.0 2.0
   52    33   -37    41   0.11250  1.0 3.0
   52    33    40    43   0.01700  1.0 1.0
   52    33    40    43  -0.23550 -1.0 2.0
   52    33    40    43   0.21350  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   54    47    50    51   0.30150 -1.0 2.0
   54    47   -50    49   1.39750  1.0 1.0
   54    47   -50    49  -0.07950 -1.0 2.0
   54    47   -50    49  -0.18750  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    63    64   0.19450  1.0 3.0
   59    54    63    64  -0.11600  1.0 1.0
   59    54    63    64  -0.09450 -1.0 2.0
   59    54    63    64   0.21250  1.0 3.0
   63    54    59    60   0.23400  1.0 3.0
   63    54    59    61   0.23400  1.0 3.0
   63    54    59    62   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.44750  1.0 1.0
   40    33    37    41  -0.17800 -1.0 2.0
   40    33    37    41   0.20200  1.0 3.0
   40    33    52    49   0.71400  1.0 1.0
   40    33    52    49   0.04300 -1.0 2.0
   40    33    52    49   0.01450  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    56  -2.17200  1.0 1.0
   40    33    52    56  -0.85700 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    49    50    51  10.50000 -1.0 2.0
   52    50    49    41   1.00000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
END
