* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    115    170     340
    1     0 S   NP   _N1_     1    30.09756    92.07735   -17.93731
    2     1 S   H    _HN1     2     1.03627   140.57540    85.84147
    3     1 S   H    _H1_     3     1.02828    33.90180    99.91318
    4     1 S   H    _H2_     4     1.02725    87.46367   -28.61072
    5     1 S   CT   _CA1     5     1.50328    95.97506  -140.61980
    6     5 S   HC   _HA1     6     1.09641   105.27507    34.92120
    7     5 S   CO3  _C1_     7     1.54292   110.98161   -82.83435
    8     7 S   O2Z  _O11     8     1.26281   116.27043   -96.70248
    9     7 S   O2Z  _O12     9     1.26447   114.08927    81.76466
   10     5 S   CT   _CB1    10     1.52828   106.68172   151.38609
   11    10 S   HC   HB11    11     1.09856   109.94193   -51.41836
   12    10 S   HC   HB12    12     1.09627   109.36867    63.95288
   13    10 S   CT   _CG1    13     1.53186   113.36776  -172.53455
   14    13 S   HC   HG11    14     1.09513   112.15615   -44.35206
   15    13 S   HC   HG12    15     1.09551   110.51713    75.18229
   16    13 S   C    _CD1    16     1.51410   109.48392  -164.59230
   17    16 S   O    _OE1    17     1.22764   122.15777  -104.69560
   18    16 S   N    _N2_    18     1.38423   112.18572    73.14280
   19    18 S   H    _HN2    19     1.01689   118.99370     7.98564
   20    18 S   CT1  _CA2    20     1.45731   123.30784  -171.98026
   21    20 S   HC   _HA2    21     1.09663   109.73936    17.29373
   22    20 S   C    _C2_    22     1.52569   105.03990  -100.71248
   23    22 S   O    _O2_    23     1.22972   122.41251   -80.53119
   24    20 S   CT   _CB2    32     1.53350   111.10455   139.38046
   25    24 S   HC   HB21    33     1.09592   110.59911    56.35680
   26    24 S   HC   HB22    34     1.09450   109.77933   175.59629
   27    22 S   N    _N3_    24     1.38555   112.79774    95.00136
   28    27 S   H    _HN3    25     1.01534   119.62972     3.99523
   29    24 S   S    _SG2    35     1.83016   110.82253   -63.56826
   30    27 S   CT   _CA3    26     1.45464   123.04551  -179.50663
   31    30 S   HC   HA31    27     1.09531   109.11611    27.49053
   32    30 S   HC   HA32    28     1.09495   107.13998   144.44393
   33    29 S   CT   _C7_    36     1.84937    99.71471   178.61294
   34    33 S   HC   _H6_    37     1.09669   106.78468   -19.69472
   35    30 S   CO3  _C3_    29     1.52941   113.36660   -95.88788
   36    35 S   O2Z  _O31    30     1.26386   115.53952   -41.93167
   37    35 S   O2Z  _O32    31     1.26384   114.90864   139.08103
   38    33 S   CT   _C8_    38     1.53886   109.05685    99.31110
   39    38 S   HC   _H7_    39     1.09728   109.78461    53.23972
   40    38 S   CT   _C9_    40     1.53630   111.84558   173.92014
   41    40 S   HC   _H8_    41     1.09675   108.49611  -177.63123
   42    38 S   OH   _O37    63     1.42969   110.59294   -64.10037
   43    42 S   HO   _H9_    64     0.97648   108.27836   -96.69292
   44    40 S   CT   _C4_    42     1.52525   110.82625   -56.30114
   45    44 S   HC   _H3_    43     1.09661   110.63111   177.70868
   46    40 S   OS   _O33    58     1.42817   109.17091    62.62410
   47    44 S   CT   _C5_    44     1.53511   110.95968    57.02665
   48    47 S   HC   _H4_    45     1.09719   110.22121    66.92122
   49    44 S   OH   _O43    56     1.42824   109.50326   -64.27190
   50    49 S   HO   _H12    57     0.97276   107.27161   -62.05435
   51    46 S   P3   _P1_    59     1.64699   119.00342   118.00344
   52    51 S   O2Z  _O35    60     1.52402   103.60025   177.24196
   53    51 S   O2Z  _O36    61     1.52483   104.42093    57.28667
   54    51 S   O2Z  _O34    62     1.52498   103.81608   -63.19052
   55    33 S   CT   _C6_    46     1.54865   108.91767  -137.49352
   56    55 S   HC   _H5_    47     1.09751   111.35952   -48.42809
   57    47 S   OH   _O42    54     1.42813   108.55844  -176.87682
   58    57 S   HO   _H11    55     0.97171   107.61738   -59.87944
   59    55 S   OS   _O38    48     1.43549   107.42188    71.11348
   60    59 S   P2   _P2_    49     1.63038   120.72339  -136.76440
   61    60 S   O2Z  _O41    50     1.51029   110.48164   -77.17533
   62    60 S   O2Z  _O39    51     1.51278   110.17165    58.50571
   63    60 S   OS   _O40    52     1.63027    98.16489   170.52713
   64    63 S   HO   _H10    53     0.98329   117.14583   -82.14970
  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  10   5   4   3
  16   8   2   1   1  14   7  16   7   4   1  12   7   6   9   6
   3   1   3   2   1   1   8   3   2   1   5   4   3   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    55    56    59    60    57    46    42    43  
   38    39    40    47    55    56    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    59    49    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    48    55    57    49    50    46    51    52    53    54    42    43  
   44    45    47    49    46    51    42  
   43    44    46    55  
    0  
   45    47    48    55    56    59    57    58    49    50    46    51  
   47    48    55    57    49    50    46  
   51    52    53    54    47    49  
   48    55    56    59    60    57    58    49    50  
   55    56    59    57    58    49  
   50    55    57  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    61    62    63    57    58  
   59    60    57  
   58    59  
    0  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   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    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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    59   320.000  1.410
   59    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    63   230.000  1.697
   63    64   553.000  0.945
   57    58   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.630
   51    52   525.000  1.516
   51    53   525.000  1.516
   51    54   525.000  1.516
   42    43   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  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51    80.00000  112.68000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    59    50.00000  109.50000
   47    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    59    60   100.00000  120.50000
   59    55    56    35.00000  109.50000
   59    60    61   100.00000  108.23000
   59    60    62   100.00000  108.23000
   59    60    63    45.00000  102.60000
   60    63    64    45.00000  108.50000
   62    60    61   140.00000  119.90000
   63    60    61   100.00000  108.23000
   63    60    62   100.00000  108.23000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  107.00000
   46    51    53   100.00000  107.00000
   46    51    54   100.00000  107.00000
   53    51    52   140.00000  114.00000
   54    51    52   140.00000  114.00000
   54    51    53   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    59   0.56750  1.0 1.0
   29    33    55    59  -0.07550 -1.0 2.0
   29    33    55    59   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    55    59    60  -2.65550  1.0 1.0
   33    55    59    60  -0.22350 -1.0 2.0
   33    55    59    60   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    59   0.23400  1.0 3.0
   38    33    55    47   0.56750  1.0 1.0
   38    33    55    47  -0.07550 -1.0 2.0
   38    33    55    47   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    59   0.62750  1.0 1.0
   38    33    55    59  -0.30950 -1.0 2.0
   38    33    55    59   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    55   0.56750  1.0 1.0
   40    44    47    55  -0.07550 -1.0 2.0
   40    44    47    55   0.20000  1.0 3.0
   40    44    47    57   0.86500  1.0 1.0
   40    44    47    57  -0.17500 -1.0 2.0
   40    44    47    57   0.20800  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    54   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -55    33   0.56750  1.0 1.0
   44    47   -55    33  -0.07550 -1.0 2.0
   44    47   -55    33   0.20000  1.0 3.0
   44    47    55    56   0.15000  1.0 3.0
   44    47    55    59   0.62750  1.0 1.0
   44    47    55    59  -0.30950 -1.0 2.0
   44    47    55    59   0.27300  1.0 3.0
   44    47    57    58  -0.11600  1.0 1.0
   44    47    57    58  -0.09450 -1.0 2.0
   44    47    57    58   0.21250  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    57   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    55    59    60  -2.65550  1.0 1.0
   47    55    59    60  -0.22350 -1.0 2.0
   47    55    59    60   0.24150  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    59   0.23400  1.0 3.0
   48    47    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    47    57    58  -0.11600  1.0 1.0
   55    47    57    58  -0.09450 -1.0 2.0
   55    47    57    58   0.21250  1.0 3.0
   55    59    60    61   0.00000  1.0 1.0
   55    59    60    62   0.00000  1.0 1.0
   55    59    60    63   0.05050  1.0 1.0
   55    59    60    63  -1.30700 -1.0 2.0
   55    59    60    63   0.91550  1.0 3.0
   56    55    59    60   0.03000  1.0 3.0
   59    60    63    64   0.00000  1.0 1.0
   61    60    63    64   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   57    47    55    33   0.86500  1.0 1.0
   57    47    55    33  -0.17500 -1.0 2.0
   57    47    55    33   0.20800  1.0 3.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    59   3.69350  1.0 1.0
   57    47    55    59  -1.82950 -1.0 2.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    55   0.86500  1.0 1.0
   49    44    47    55  -0.17500 -1.0 2.0
   49    44    47    55   0.20800  1.0 3.0
   49    44    47    57   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -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
   36    30    35    37  10.50000 -1.0 2.0
END
