* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    191     376
    1     0 S   NP   _N1_     1    28.73730    96.18517   -23.42445
    2     1 S   H    _HN1     2     1.02788   105.28340   -92.49349
    3     1 S   H    _H1_     3     1.02949    72.82712    12.41394
    4     1 S   H    _H2_     4     1.02828    37.43041   167.91168
    5     1 S   CT   _CA1     5     1.50108   138.28818   114.07384
    6     5 S   HC   _HA1     6     1.09573   105.19883    90.92629
    7     5 S   CO3  _C1_     7     1.53783   112.43005   -29.32146
    8     7 S   O2Z  _O11     8     1.26370   115.01434   -43.64168
    9     7 S   O2Z  _O12     9     1.26236   114.94085   135.47183
   10     5 S   CT   _CB1    10     1.53075   107.41789  -151.10711
   11    10 S   HC   HB11    11     1.09835   109.37126   -49.78428
   12    10 S   HC   HB12    12     1.09812   110.45780    66.81856
   13    10 S   CT   _CG1    13     1.52997   112.60517  -170.75046
   14    13 S   HC   HG11    14     1.09581   110.64992   -65.63305
   15    13 S   HC   HG12    15     1.09670   109.77390    53.60204
   16    13 S   C    _CD1    16     1.51804   112.17331   174.06274
   17    16 S   O    _OE1    17     1.22739   123.25774     7.63617
   18    16 S   N    _N2_    18     1.38637   111.69945  -172.40697
   19    18 S   H    _HN2    19     1.01590   118.99764     1.59495
   20    18 S   CT1  _CA2    20     1.46235   123.43821   177.55064
   21    20 S   HC   _HA2    21     1.09737   109.31222     5.18126
   22    20 S   C    _C2_    22     1.53636   108.94048  -110.35277
   23    22 S   O    _O2_    23     1.23075   122.23708  -150.17403
   24    20 S   CT   _CB2    32     1.53418   111.43609   127.14472
   25    24 S   HC   HB21    33     1.09462   109.51456    56.25748
   26    24 S   HC   HB22    34     1.09433   109.88496   175.10735
   27    22 S   N    _N3_    24     1.38313   113.84816    37.39116
   28    27 S   H    _HN3    25     1.01558   119.58015    -3.49189
   29    24 S   S    _SG2    35     1.83254   111.12076   -65.09446
   30    27 S   CT   _CA3    26     1.45279   123.24762   177.11907
   31    30 S   HC   HA31    27     1.09548   107.52016   -64.52162
   32    30 S   HC   HA32    28     1.09556   107.98525    51.92882
   33    29 S   CT   _C13    36     1.86181   101.31313   174.41622
   34    30 S   CO3  _C3_    29     1.52964   114.05502   173.91827
   35    34 S   O2Z  _O31    30     1.26380   116.06851    -0.54965
   36    34 S   O2Z  _O32    31     1.26426   114.41672   179.51061
   37    33 S   CM   _C6_    37     1.50928   108.16927   -65.29115
   38    37 S   HC   _H22    38     1.09042   116.67425   -57.67428
   39    33 S   CT   _C17    47     1.55150   107.01421   174.99234
   40    39 S   HC   _H34    48     1.09975   109.98621    59.71582
   41    39 S   HC   _H35    49     1.09575   110.31065   -55.97011
   42    37 S   CMA  _C7_    39     1.34758   125.03063   123.28045
   43    42 S   OM   _O17    40     1.25901   130.56361   179.50307
   44    39 S   CM   _C9_    50     1.51107   113.95349   179.29975
   45    44 S   HC   _H23    51     1.09008   113.97370   -71.61722
   46    42 S   CM   _C4_    41     1.45822   118.12574    -0.37273
   47    46 S   HC   _H20    42     1.09009   118.61648   178.37310
   48    44 S   CM   _C11    52     1.34772   128.36308   109.89717
   49    46 S   CM   _C5_    43     1.33829   124.29877    -1.93836
   50    49 S   HC   _H21    44     1.08324   121.68388  -179.48338
   51    48 S   CT   _C14    53     1.50398   125.02855    -2.31029
   52    51 S   HC   _H25    54     1.09388   110.53125   115.94228
   53    51 S   HC   _H26    55     1.09529   110.02523  -124.50311
   54    51 S   HC   _H27    56     1.09143   113.64168    -4.84784
   55    48 S   CT   _C19    57     1.51870   119.81626   179.66662
   56    55 S   HC   _H38    58     1.09774   108.54557   131.88964
   57    55 S   HC   _H39    59     1.09845   110.54896    16.92090
   58    33 S   CO4  _C8_    45     1.53619   107.80793    57.64030
   59    58 S   O    _O18    46     1.23186   122.81486    55.93766
   60    55 S   CT   _C18    60     1.53479   113.90033  -106.57287
   61    60 S   HC   _H36    61     1.09315   110.47952   -57.75874
   62    60 S   HC   _H37    62     1.09763   108.27838  -172.70792
   63    60 S   CM   _C10    63     1.50474   112.45693    68.91757
   64    63 S   HC   _H24    64     1.08981   113.85013    67.28976
   65    63 S   CM   _C12    65     1.34664   128.23973  -112.93989
   66    65 S   CT   _C15    66     1.50605   120.32465  -179.85463
   67    66 S   HC   _H28    67     1.09496   110.23517   120.52261
   68    66 S   HC   _H29    68     1.09511   112.44465     0.42613
   69    66 S   HC   _H30    69     1.09500   110.23893  -119.66211
   70    65 S   CT   _C16    70     1.50225   125.45304     0.79179
   71    70 S   HC   _H31    71     1.09527   110.00297   120.74943
   72    70 S   HC   _H32    72     1.09510   110.04402  -120.00597
   73    70 S   HC   _H33    73     1.09119   113.74493     0.52526
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  15   2   1   1  12   5  11   5   4   6   3  11   3   5   3  11
   3   2   7   3   2   1   8   5   4   1   1   7   4   3  10   3
   8   7   3   2   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    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    58    59    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    50    58    59    39    40    41    44    45    48  
   35    36  
   36  
    0  
   38    42    43    46    47    49    58    59    39    40    41    44  
   42    43    46    58    39  
   40    41    44    45    48    51    55    42    49    58    59  
   41    44    45    48    58  
   44    45    48    58  
   43    46    47    49    50    58  
   46    47    49  
   45    48    51    52    53    54    55    56    57    60    58  
   48    51    55  
   47    49    50    58    59  
   49    50    58  
   51    52    53    54    55    56    57    60    61    62    63  
   50    58    59  
   58    59  
   52    53    54    55    56    57    60  
   53    54    55  
   54    55  
   55  
   56    57    60    61    62    63    64    65  
   57    60    61    62    63  
   60    61    62    63  
   59  
    0  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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    58   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    50   340.000  1.080
   49    58   320.000  1.462
   58    59   570.000  1.229
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    51   317.000  1.510
   48    55   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    70   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    58    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    58    49    65.00000  118.62400
   33    58    59    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.02700
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    46    47    40.00000  120.50800
   42    46    49    70.00000  117.34000
   46    42    43    65.00000  137.10300
   46    49    50    35.00000  120.00000
   46    49    58    65.00000  118.96000
   49    46    47    35.00000  120.00000
   49    58    59    80.00000  123.72100
   58    33    37    70.00000  109.06800
   58    49    50    40.00000  117.72500
   39    33    37    70.00000  112.02700
   39    33    58    63.00000  111.10000
   39    44    45    35.00000  117.00000
   39    44    48    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    70.00000  124.00000
   44    48    55    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    60    70.00000  112.02700
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    48    51    65.00000  117.92700
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    70.00000  112.02700
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    70    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    58    49   0.65300  1.0 1.0
   29    33    58    49  -0.03850 -1.0 2.0
   29    33    58    49   0.33900  1.0 3.0
   29    33    58    59   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.00000  1.0 1.0
   33    39    44    48   0.09850  1.0 1.0
   33    39    44    48   0.15250 -1.0 2.0
   33    39    44    48  -0.50650  1.0 3.0
   37    33    58    49   0.65300  1.0 1.0
   37    33    58    49  -0.03850 -1.0 2.0
   37    33    58    49   0.33900  1.0 3.0
   37    33    58    59   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.31000  1.0 1.0
   37    33    39    44   0.14700 -1.0 2.0
   37    33    39    44   0.07550  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    49   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    49    50   7.00000 -1.0 2.0
   42    46    49    58   7.00000 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    49   7.00000 -1.0 2.0
   46    49   -58    33  -0.33500  1.0 1.0
   46    49   -58    33   1.06600 -1.0 2.0
   46    49   -58    33  -0.14000  1.0 3.0
   46    49    58    59   1.00000 -1.0 2.0
   47    46    49    50   7.00000 -1.0 2.0
   47    46    49    58   7.00000 -1.0 2.0
   50    49    58    33   0.04550  1.0 1.0
   50    49    58    33   0.83000 -1.0 2.0
   50    49    58    33  -0.04000  1.0 3.0
   50    49    58    59   0.00000  1.0 1.0
   58    33    37    38   0.00000  1.0 1.0
   58    33   -37    42  -0.51250  1.0 1.0
   58    33   -37    42  -0.88800 -1.0 2.0
   58    33   -37    42   0.08850  1.0 3.0
   58    33    39    40  -0.11250  1.0 3.0
   58    33    39    41  -0.11250  1.0 3.0
   58    33    39    44  -0.98800  1.0 1.0
   58    33    39    44   0.48800 -1.0 2.0
   58    33    39    44   0.76800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    58    49   0.65300  1.0 1.0
   39    33    58    49  -0.03850 -1.0 2.0
   39    33    58    49   0.33900  1.0 3.0
   39    33    58    59   0.30150 -1.0 2.0
   39    44    48    51   7.00000 -1.0 2.0
   39    44    48    55   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    53   0.00000  1.0 1.0
   44    48    51    54   0.00000  1.0 1.0
   44    48    55    56   0.00000  1.0 1.0
   44    48    55    57   0.00000  1.0 1.0
   44    48    55    60   0.09850  1.0 1.0
   44    48    55    60   0.15250 -1.0 2.0
   44    48    55    60  -0.50650  1.0 3.0
   45    44    48    51   7.00000 -1.0 2.0
   45    44    48    55   7.00000 -1.0 2.0
   48    55    60    61   0.15000  1.0 3.0
   48    55    60    62   0.15000  1.0 3.0
   48    55    60    63   0.31000  1.0 1.0
   48    55    60    63   0.14700 -1.0 2.0
   48    55    60    63   0.07550  1.0 3.0
   51    48    55    56   0.34800  1.0 3.0
   51    48    55    57   0.34800  1.0 3.0
   51    48    55    60   0.46850  1.0 1.0
   51    48    55    60   0.08550 -1.0 2.0
   51    48    55    60   0.09800  1.0 3.0
   55    48    51    52   0.34800  1.0 3.0
   55    48    51    53   0.34800  1.0 3.0
   55    48    51    54   0.34800  1.0 3.0
   55    60    63    64   0.00000  1.0 1.0
   55    60    63    65   0.09850  1.0 1.0
   55    60    63    65   0.15250 -1.0 2.0
   55    60    63    65  -0.50650  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63    65    70   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    69   0.00000  1.0 1.0
   63    65    70    71   0.00000  1.0 1.0
   63    65    70    72   0.00000  1.0 1.0
   63    65    70    73   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    70   7.00000 -1.0 2.0
   66    65    70    71   0.34800  1.0 3.0
   66    65    70    72   0.34800  1.0 3.0
   66    65    70    73   0.34800  1.0 3.0
   70    65    66    67   0.34800  1.0 3.0
   70    65    66    68   0.34800  1.0 3.0
   70    65    66    69   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    47    46    49   1.10000 -1.0 2.0
   58    50    49    46   1.10000 -1.0 2.0
   33    49    58    59  10.50000 -1.0 2.0
   39    45    44    48  15.00000 -1.0 2.0
   51    55    48    44  15.00000 -1.0 2.0
   60    64    63    65  15.00000 -1.0 2.0
   66    70    65    63  15.00000 -1.0 2.0
END
