* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    126    195     364
    1     0 S   NP   _N1_     1    28.78047    95.62670   -24.01900
    2     1 S   H    _HN1     2     1.02789   109.71328   -94.38318
    3     1 S   H    _H1_     3     1.02947    76.61001    10.63477
    4     1 S   H    _H2_     4     1.02826    31.87711   173.19946
    5     1 S   CT   _CA1     5     1.50122   131.95057   116.16000
    6     5 S   HC   _HA1     6     1.09573   105.16822    87.50877
    7     5 S   CO3  _C1_     7     1.53783   112.52712   -32.69222
    8     7 S   O2Z  _O11     8     1.26374   115.00224   -40.90153
    9     7 S   O2Z  _O12     9     1.26243   114.95437   138.20339
   10     5 S   CT   _CB1    10     1.53075   107.41399  -154.49296
   11    10 S   HC   HB11    11     1.09836   109.34688   -49.36234
   12    10 S   HC   HB12    12     1.09811   110.45497    67.24872
   13    10 S   CT   _CG1    13     1.52995   112.62438  -170.32047
   14    13 S   HC   HG11    14     1.09576   110.67804   -66.81628
   15    13 S   HC   HG12    15     1.09672   109.73516    52.41980
   16    13 S   C    _CD1    16     1.51800   112.16252   172.89025
   17    16 S   O    _OE1    17     1.22734   123.26513     9.60218
   18    16 S   N    _N2_    18     1.38643   111.71080  -170.44375
   19    18 S   H    _HN2    19     1.01569   118.91566     1.53302
   20    18 S   CT1  _CA2    20     1.46224   123.43181   177.17811
   21    20 S   HC   _HA2    21     1.09739   109.39667     5.78933
   22    20 S   C    _C2_    22     1.53614   108.57122  -109.73261
   23    22 S   O    _O2_    23     1.23066   122.28114  -146.92298
   24    20 S   CT   _CB2    32     1.53485   111.52512   127.91462
   25    24 S   HC   HB21    33     1.09326   109.48458    56.78414
   26    24 S   HC   HB22    34     1.09399   109.52366   175.41234
   27    22 S   N    _N3_    24     1.38322   113.76221    40.45298
   28    27 S   H    _HN3    25     1.01563   119.63309    -2.97638
   29    24 S   S    _SG2    35     1.82882   111.02005   -65.21950
   30    27 S   CT   _CA3    26     1.45287   123.24145   177.26362
   31    30 S   HC   HA31    27     1.09547   107.48820   -65.32085
   32    30 S   HC   HA32    28     1.09556   108.01995    51.13315
   33    29 S   CT   _C10    36     1.89251   102.73140   168.88569
   34    30 S   CO3  _C3_    29     1.52970   114.05907   173.15301
   35    34 S   O2Z  _O31    30     1.26380   116.07497    -0.55673
   36    34 S   O2Z  _O32    31     1.26426   114.41656   179.50703
   37    33 S   CT   _C11    37     1.55641   111.06851    49.36116
   38    37 S   HC   _H9_    38     1.09478   110.38612  -178.13870
   39    37 S   HC   _H10    39     1.09503   110.86843   -62.23872
   40    33 S   CT   _C12    64     1.54910   107.72970   -70.20374
   41    40 S   HC   _H11    65     1.09520   110.74093   176.98364
   42    40 S   HC   _H12    66     1.09384   112.24495    58.46017
   43    37 S   S    _S1_    40     1.83489   115.80758    60.41810
   44    40 S   OH   _O35    67     1.42281   111.53026   -63.29885
   45    44 S   HO   _H13    68     0.97224   107.22647  -176.01459
   46    43 S   C4T  _C7_    41     1.81791    96.20138    55.98543
   47    46 S   HC   _H3_    42     1.09581   113.76242    75.47482
   48    46 S   C4T  _C6_    43     1.57535   116.81488  -146.67860
   49    46 S   N4   _N5_    46     1.45141   108.96041   -50.44320
   50    48 S   C4   _C8_    44     1.57157    84.13093   115.84652
   51    50 S   O    _O34    45     1.20902   137.19443   175.57871
   52    33 S   CT1  _C9_    47     1.56714   105.52826   171.09245
   53    52 S   HC   _H4_    48     1.09987   109.46605    41.53399
   54    48 S   CT   _C14    52     1.52313   121.40440     1.13677
   55    54 S   HC   _H14    53     1.09538   111.05830   -69.85808
   56    54 S   HC   _H15    54     1.09526   111.43920   170.02019
   57    54 S   HC   _H16    55     1.09539   111.72952    50.86042
   58    48 S   N    _N4_    56     1.49472   111.07325  -130.09207
   59    58 S   H    _H8_    57     1.01724   118.54319    29.37917
   60    52 S   CO3  _C13    49     1.55069   116.26964   160.52107
   61    60 S   O2Z  _O37    50     1.26277   116.12032    46.61277
   62    60 S   O2Z  _O36    51     1.26467   114.81463  -134.36993
   63    58 S   C    _C5_    58     1.38692   124.17762  -150.74778
   64    63 S   O    _O33    59     1.22707   125.74595    -1.72624
   65    63 S   CT   _C4_    60     1.50497   112.28438   179.28673
   66    65 S   HC   _H5_    61     1.09343   109.53771    69.56180
   67    65 S   HC   _H6_    62     1.09350   109.69507  -170.60935
   68    65 S   HC   _H7_    63     1.09378   110.20429   -50.98284
  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  13   5   4   3
  17   2   1   1  14   5   4   9   4   3   8   2   1  15   6  13
   9  11   3   4   3   6   3   2   1   7   3   2   1   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    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    43    49    52    53    60    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    46    50    49    52    53    60    61    62    40    41    42    44    45  
   35    36  
   36  
    0  
   38    39    43    46    47    48    49    52    53    60    40    41    42    44  
   39    43    46    52    40  
   43    46    52    40  
   41    42    44    45    43    49    52    53    60  
   42    44    45    52  
   44    45    52  
   46    47    48    50    49    52    54    58  
   45    52  
    0  
   47    48    50    51    49    52    53    60    54    55    56    57    58    59    63  
   48    50    49    52    54    58  
   50    51    49    52    54    55    56    57    58    59    63    64    65  
   52    53    60    61    62    54    58    50    51  
   51    52    53    60    54    55    56    57    58    59    63  
   52    54    58  
   53    60    61    62  
   60    61    62  
   55    56    57    58    59    63  
   56    57    58  
   57    58  
   58  
   59    63    64    65    66    67    68  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.167500   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   0.047500   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.027700   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   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    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   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   305.000  1.456
   48    50   250.000  1.540
   48    54   260.000  1.519
   48    58   337.000  1.449
   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    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    45   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    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  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    60    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    46    47    45.00000  109.41400
   43    46    48    65.00000  119.05700
   43    46    49    80.00000  108.62000
   46    48    50   100.00000   86.36000
   46    48    54    65.00000  119.52000
   46    48    58    80.00000  110.05700
   46    49    50   100.00000   93.00000
   46    49    52    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    50    51    60.00000  136.58000
   48    50    49    95.00000   92.72400
   48    54    55    45.00000  111.22300
   48    54    56    45.00000  111.22300
   48    54    57    45.00000  111.22300
   48    58    59    38.00000  118.40000
   48    58    63    50.00000  121.90000
   50    49    52    50.00000  132.10000
   49    46    47    50.00000  112.01000
   49    46    48   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    60    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    60    61    70.00000  117.00000
   52    60    62    70.00000  117.00000
   60    52    53    35.00000  109.50000
   62    60    61    80.00000  126.00000
   54    48    50    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    50    75.00000  110.24000
   58    48    54    80.00000  110.05700
   58    63    64    80.00000  122.90000
   58    63    65    70.00000  116.60000
   63    58    59    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   65    63    64    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    44    45    55.00000  108.50000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    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    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   0.01700  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  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    60  -2.17200  1.0 1.0
   29    33    52    60  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    46  -0.25000 -1.0 2.0
   33    37    43    46  -0.01800  1.0 3.0
   33    52    60    61   0.00000  1.0 1.0
   33    52    60    62   0.00000  1.0 1.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  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    60  -0.84850  1.0 1.0
   37    33    52    60  -0.22800 -1.0 2.0
   37    33    52    60   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.86500  1.0 1.0
   37    33    40    44  -0.17500 -1.0 2.0
   37    33    40    44   0.20800  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43    46    48   0.25150  1.0 1.0
   37    43    46    48  -1.17200 -1.0 2.0
   37    43    46    48   0.53050  1.0 3.0
   37    43   -46    49   0.01700  1.0 1.0
   37    43   -46    49  -0.23550 -1.0 2.0
   37    43   -46    49   0.21350  1.0 3.0
   38    37    43    46   0.32350  1.0 3.0
   39    37    43    46   0.32350  1.0 3.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    54   0.44750  1.0 1.0
   43    46    48    54  -0.17800 -1.0 2.0
   43    46    48    54   0.20200  1.0 3.0
   43    46    48    58   0.00000  1.0 1.0
   43    46   -49    50   0.00000  1.0 1.0
   43    46    49    52   0.00000  1.0 1.0
   46    48    50    51  -0.11250  1.0 1.0
   46    48    50    51   0.11400 -1.0 2.0
   46    48    50    51  -0.28950  1.0 3.0
   46    48   -50    49   3.00000 -1.0 2.0
   46    48    54    55   0.00000  1.0 1.0
   46    48    54    56   0.00000  1.0 1.0
   46    48    54    57   0.00000  1.0 1.0
   46    48    58    59   0.00000  1.0 1.0
   46    48    58    63  -0.43950  1.0 1.0
   46    48    58    63  -0.08100 -1.0 2.0
   46    48    58    63   0.03350  1.0 3.0
   46    49   -52    33   0.00000  1.0 1.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    60   0.00000  1.0 1.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    48    58   0.15000  1.0 3.0
   47    46   -49    50   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
   48    46   -49    50   0.00000  1.0 1.0
   48    46    49    52   0.00000  1.0 1.0
   48    50   -49    46   3.00000 -1.0 2.0
   48    50   -49    52   3.00000 -1.0 2.0
   48    58    63    64   3.04450 -1.0 2.0
   48    58    63    65   1.49850  1.0 1.0
   48    58    63    65   1.53950 -1.0 2.0
   50    48    54    55  -0.11250  1.0 3.0
   50    48    54    56  -0.11250  1.0 3.0
   50    48    54    57  -0.11250  1.0 3.0
   50    48    58    59   0.00000  1.0 1.0
   50    48    58    63  -0.42300  1.0 1.0
   50    48    58    63  -0.07000 -1.0 2.0
   50    48    58    63   0.04150  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    60   0.00000  1.0 1.0
   51    50   -49    46   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    46   -48    50   3.00000 -1.0 2.0
   49    46    48    54   0.43900  1.0 1.0
   49    46    48    54   0.49100 -1.0 2.0
   49    46    48    54   0.28400  1.0 3.0
   49    46    48    58   2.20050  1.0 1.0
   49    46    48    58   0.63450 -1.0 2.0
   49    46    48    58  -0.91300  1.0 3.0
   49    52    60    61   0.00000  1.0 1.0
   49    52    60    62   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    43   0.44750  1.0 1.0
   52    33   -37    43  -0.17800 -1.0 2.0
   52    33   -37    43   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    44   0.86500  1.0 1.0
   52    33    40    44  -0.17500 -1.0 2.0
   52    33    40    44   0.20800  1.0 3.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    62   0.00000  1.0 1.0
   54    48    50    51   0.30150 -1.0 2.0
   54    48   -50    49   1.39750  1.0 1.0
   54    48   -50    49  -0.07950 -1.0 2.0
   54    48   -50    49  -0.18750  1.0 3.0
   54    48    58    59   0.00000  1.0 1.0
   54    48    58    63  -0.43950  1.0 1.0
   54    48    58    63  -0.08100 -1.0 2.0
   54    48    58    63   0.03350  1.0 3.0
   58    48    50    51   0.30150 -1.0 2.0
   58    48   -50    49   0.00000  1.0 1.0
   58    48    54    55   0.15000  1.0 3.0
   58    48    54    56   0.15000  1.0 3.0
   58    48    54    57   0.15000  1.0 3.0
   58    63    65    66   0.00000  1.0 1.0
   58    63    65    67   0.00000  1.0 1.0
   58    63    65    68   0.00000  1.0 1.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.45000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    60  -0.84850  1.0 1.0
   40    33    52    60  -0.22800 -1.0 2.0
   40    33    52    60   0.29250  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45   0.19450  1.0 3.0
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
   48    49    50    51  10.50000 -1.0 2.0
   52    50    49    46   1.00000 -1.0 2.0
   61    52    60    62  10.50000 -1.0 2.0
   59    63    58    48   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
END
