* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    140    213     400
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.80555    98.15944  -158.21451
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C11    37     1.51780   109.39184   180.00000
   38    33 S   S    _S1_    61     1.81773   110.31640   -53.58644
   39    37 S   N4   _N4_    38     1.36840   108.19676   -96.16535
   40    37 S   CMA  _C12    58     1.34017   128.61891    88.00908
   41    40 S   OM   _O33    59     1.38895   118.82815  -179.97202
   42    40 S   OM   _O34    60     1.38928   118.82783    -0.00000
   43    38 S   CT   _C14    62     1.80735    98.29612   176.34173
   44    43 S   HC   _H14    63     1.09398   108.43139    40.00138
   45    43 S   HC   _H15    64     1.09415   107.59409   -76.65174
   46    39 S   C4   _C13    39     1.35605   130.40479  -126.37387
   47    46 S   O    _O35    40     1.20888   133.53291   -42.90146
   48    39 S   C4T  _C8_    43     1.46371   113.22953    -2.72088
   49    48 S   HC   _H4_    44     1.09753   111.36058   104.02373
   50    43 S   CT   _C15    65     1.52295   112.18685   162.83573
   51    50 S   HC   _H16    66     1.09571   109.34969  -179.98022
   52    50 S   HC   _H17    67     1.09449   111.94142    60.71088
   53    46 S   C4T  _C7_    41     1.55245    90.13778   131.37918
   54    53 S   HC   _H3_    42     1.09664   111.78980  -115.22002
   55    33 S   CT   _C9_    45     1.55347   111.12645    68.36980
   56    55 S   HC   _H12    46     1.09509   113.40351   -36.29894
   57    55 S   HC   _H13    47     1.09783   111.01377  -157.00405
   58    50 S   N    _N5_    68     1.43789   113.03122   -61.49103
   59    58 S   H    _H18    69     1.01966   118.28852    89.99720
   60    53 S   CT   _C5_    48     1.50941   114.76197   116.86241
   61    60 S   HC   _H8_    49     1.10249   109.18768   -40.04590
   62    58 S   C    _C16    70     1.38571   123.41605   -89.93649
   63    62 S   O    _O36    71     1.22462   126.16292    -0.05595
   64    60 S   CT   _C4_    50     1.53309   111.20897    78.59610
   65    64 S   HC   _H5_    51     1.09586   111.01187    60.44294
   66    64 S   HC   _H6_    52     1.09546   110.45896   -59.35018
   67    64 S   HC   _H7_    53     1.09474   111.39769  -179.14568
   68    60 S   CT   _C6_    54     1.53383   111.16630  -158.57461
   69    68 S   HC   _H9_    55     1.09516   111.02001   -60.42773
   70    68 S   HC   _H10    56     1.09482   111.35438   179.09410
   71    68 S   HC   _H11    57     1.09541   110.44525    59.32968
   72    62 S   CT   _C17    72     1.49316   114.29064   179.90309
   73    72 S   HC   _H19    73     1.10184   112.42364    89.93292
   74    72 S   HC   _H20    74     1.10073   112.43540  -151.34018
   75    72 S   HC   _H21    75     1.10218   115.27196   -30.67821
  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
  17   2   1   1  14  13  13   5   1   1   9   5   4  10   4  10
   6   7   4   3  14   5   3   1   1   7   3   9   8   5   4   7
   3   2   1   3   2   1   1   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    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    48    55    56    57    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    46    53    48    49    55    56    57    40    41    42    38    43    44    45    50  
   35    36  
   36  
    0  
   39    46    47    53    48    49    55    56    57    40    41    42    38    43  
   43    44    45    50    51    52    58    39    40    48    55    56    57  
   46    47    53    54    48    49    55    56    57    60    40    41    42  
   41    42    46    48    55  
   42  
    0  
   44    45    50    51    52    58    59    62    55  
   45    50    51    52    58  
   50    51    52    58  
   47    53    54    48    49    55    60    61    64    68  
   53    54    48    60  
   49    55    56    57    60    61    64    68    53    54  
   55    56    57    60    53    54  
   51    52    58    59    62    63    72  
   52    58    59    62  
   58    59    62  
   54    55    56    57    60    61    64    65    66    67    68    69    70    71  
   55    60    61    64    68  
   56    57    60  
   57  
    0  
   59    62    63    72    73    74    75  
   62    63    72  
   61    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   63    72    73    74    75  
   72    73    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75  
   74    75  
   75  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.047500   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   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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   317.000  1.510
   33    55   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    46   440.000  1.369
   39    48   305.000  1.456
   46    47   930.000  1.212
   46    53   250.000  1.540
   53    54   340.000  1.090
   53    48   268.000  1.529
   53    60   260.000  1.519
   48    49   340.000  1.090
   48    55   260.000  1.519
   55    56   340.000  1.090
   55    57   340.000  1.090
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   337.000  1.449
   58    59   434.000  1.010
   58    62   490.000  1.335
   62    63   570.000  1.229
   62    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    55    48    70.00000  112.98000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    43    62.00000   98.90000
   37    39    46    50.00000  132.10000
   37    39    48    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    46    47    75.00000  131.60000
   39    46    53    95.00000   92.72400
   39    48    53   105.00000   87.49700
   39    48    49    50.00000  112.01000
   39    48    55    80.00000  110.05700
   46    53    54    40.00000  113.37500
   46    53    48   100.00000   86.36000
   46    53    60    63.00000  111.10000
   53    46    47    60.00000  136.58000
   53    48    49    37.50000  110.70000
   53    48    55    65.00000  119.52000
   53    60    61    45.00000  111.22300
   53    60    64    70.00000  112.98000
   53    60    68    70.00000  112.98000
   48    39    46   100.00000   93.00000
   48    53    54    37.50000  110.70000
   48    55    56    45.00000  111.22300
   48    55    57    45.00000  111.22300
   55    33    37    70.00000  112.02700
   55    48    49    45.00000  112.72800
   57    55    56    33.00000  107.80000
   60    53    54    45.00000  112.72800
   60    53    48    65.00000  119.52000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   64    60    61    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    55    75.00000  111.63000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    50    75.00000  111.63000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    58    70.00000  110.72300
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    58    59    38.00000  118.40000
   50    58    62    50.00000  121.90000
   52    50    51    33.00000  107.80000
   58    50    51    35.00000  109.50000
   58    50    52    35.00000  109.50000
   58    62    63    80.00000  122.90000
   58    62    72    70.00000  116.60000
   62    58    59    35.00000  119.80000
   62    72    73    35.00000  109.50000
   62    72    74    35.00000  109.50000
   62    72    75    35.00000  109.50000
   72    62    63    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    55    48   0.44750  1.0 1.0
   29    33    55    48  -0.17800 -1.0 2.0
   29    33    55    48   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    46   0.00000  1.0 1.0
   33    37   -39    48   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    38    43    44   0.32350  1.0 3.0
   33    38    43    45   0.32350  1.0 3.0
   33    38    43    50   0.01700  1.0 1.0
   33    38    43    50  -0.23550 -1.0 2.0
   33    38    43    50   0.21350  1.0 3.0
   37    33   -55    48   0.34400  1.0 1.0
   37    33   -55    48   0.09450 -1.0 2.0
   37    33   -55    48   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    43  -0.62250  1.0 1.0
   37    33    38    43  -0.38450 -1.0 2.0
   37    33    38    43   0.81900  1.0 3.0
   37    39    46    47   3.00000 -1.0 2.0
   37    39    46    53   3.00000 -1.0 2.0
   37    39   -48    53   0.00000  1.0 1.0
   37    39    48    49   0.00000  1.0 1.0
   37    39   -48    55   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    46    53    54   0.00000  1.0 1.0
   39    46   -53    48   3.00000 -1.0 2.0
   39    46    53    60   1.39750  1.0 1.0
   39    46    53    60  -0.07950 -1.0 2.0
   39    46    53    60  -0.18750  1.0 3.0
   39    48   -55    33   0.43900  1.0 1.0
   39    48   -55    33   0.49100 -1.0 2.0
   39    48   -55    33   0.28400  1.0 3.0
   39    48    55    56   0.15000  1.0 3.0
   39    48    55    57   0.15000  1.0 3.0
   46    39   -48    53   0.00000  1.0 1.0
   46    39    48    49   0.00000  1.0 1.0
   46    39    48    55   0.00000  1.0 1.0
   46    53   -48    39   3.00000 -1.0 2.0
   46    53   -48    49   0.15000  1.0 3.0
   46    53   -48    55  -0.95700  1.0 1.0
   46    53   -48    55  -0.18200 -1.0 2.0
   46    53   -48    55   0.29450  1.0 3.0
   46    53    60    61  -0.11250  1.0 3.0
   46    53    60    64  -0.95700  1.0 1.0
   46    53    60    64  -0.18200 -1.0 2.0
   46    53    60    64   0.29450  1.0 3.0
   46    53    60    68  -0.95700  1.0 1.0
   46    53    60    68  -0.18200 -1.0 2.0
   46    53    60    68   0.29450  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    48  -0.11250  1.0 1.0
   47    46    53    48   0.11400 -1.0 2.0
   47    46    53    48  -0.28950  1.0 3.0
   47    46    53    60   0.30150 -1.0 2.0
   53    48    55    33   0.04050  1.0 1.0
   53    48    55    33   0.63700 -1.0 2.0
   53    48    55    33   0.17650  1.0 3.0
   53    48    55    56   0.00000  1.0 1.0
   53    48    55    57   0.00000  1.0 1.0
   53    60    64    65   0.15000  1.0 3.0
   53    60    64    66   0.15000  1.0 3.0
   53    60    64    67   0.15000  1.0 3.0
   53    60    68    69   0.15000  1.0 3.0
   53    60    68    70   0.15000  1.0 3.0
   53    60    68    71   0.15000  1.0 3.0
   54    53   -48    39   0.15000  1.0 3.0
   54    53    48    49   0.15000  1.0 3.0
   54    53    48    55   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    64   0.15000  1.0 3.0
   54    53    60    68   0.15000  1.0 3.0
   48    39   -46    47   3.00000 -1.0 2.0
   48    39   -46    53   3.00000 -1.0 2.0
   48    53    60    61   0.00000  1.0 1.0
   48    53    60    64   0.04050  1.0 1.0
   48    53    60    64   0.63700 -1.0 2.0
   48    53    60    64   0.17650  1.0 3.0
   48    53    60    68   0.04050  1.0 1.0
   48    53    60    68   0.63700 -1.0 2.0
   48    53    60    68   0.17650  1.0 3.0
   49    48    55    33   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   55    33   -37    39  -0.93550  1.0 1.0
   55    33   -37    39   0.38900 -1.0 2.0
   55    33   -37    39   0.16950  1.0 3.0
   55    33    37    40   0.09850  1.0 1.0
   55    33    37    40   0.15250 -1.0 2.0
   55    33    37    40  -0.50650  1.0 3.0
   55    33    38    43   0.01700  1.0 1.0
   55    33    38    43  -0.23550 -1.0 2.0
   55    33    38    43   0.21350  1.0 3.0
   60    53   -48    39   0.43900  1.0 1.0
   60    53   -48    39   0.49100 -1.0 2.0
   60    53   -48    39   0.28400  1.0 3.0
   60    53    48    49   0.15000  1.0 3.0
   60    53    48    55   0.56750  1.0 1.0
   60    53    48    55  -0.07550 -1.0 2.0
   60    53    48    55   0.20000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    71   0.15000  1.0 3.0
   64    60    68    69   0.15000  1.0 3.0
   64    60    68    70   0.15000  1.0 3.0
   64    60    68    71   0.15000  1.0 3.0
   68    60    64    65   0.15000  1.0 3.0
   68    60    64    66   0.15000  1.0 3.0
   68    60    64    67   0.15000  1.0 3.0
   40    37    39    46   0.00000  1.0 1.0
   40    37    39    48   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    55    48   0.44750  1.0 1.0
   38    33    55    48  -0.17800 -1.0 2.0
   38    33    55    48   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    58   0.56750  1.0 1.0
   38    43    50    58  -0.07550 -1.0 2.0
   38    43    50    58   0.20000  1.0 3.0
   43    50    58    59   0.00000  1.0 1.0
   43    50    58    62  -0.43950  1.0 1.0
   43    50    58    62  -0.08100 -1.0 2.0
   43    50    58    62   0.03350  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    58   0.15000  1.0 3.0
   50    58    62    63   3.04450 -1.0 2.0
   50    58    62    72   1.49850  1.0 1.0
   50    58    62    72   1.53950 -1.0 2.0
   51    50    58    59   0.00000  1.0 1.0
   51    50    58    62   0.00000  1.0 1.0
   52    50    58    59   0.00000  1.0 1.0
   52    50    58    62   0.00000  1.0 1.0
   58    62    72    73   0.00000  1.0 1.0
   58    62    72    74   0.00000  1.0 1.0
   58    62    72    75   0.00000  1.0 1.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    72   2.45000 -1.0 2.0
   63    62    72    73   0.00000  1.0 1.0
   63    62    72    74   0.00000  1.0 1.0
   63    62    72    75   0.00000  1.0 1.0
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
   33    39    37    40   1.10000 -1.0 2.0
   48    46    39    37   1.00000 -1.0 2.0
   39    53    46    47  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   59    62    58    50   1.00000 -1.0 2.0
   58    72    62    63  10.50000 -1.0 2.0
END
