* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    129    201     371
    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   _C9_    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   _C10    37     1.51780   109.39184   180.00000
   38    33 S   S    _S1_    59     1.81773   110.31640   -53.58644
   39    37 S   N4   _N4_    38     1.36840   108.19676   -96.16535
   40    37 S   CMA  _C11    56     1.34017   128.61891    88.00908
   41    40 S   OM   _O33    57     1.38895   118.82815  -179.97202
   42    40 S   OM   _O34    58     1.38928   118.82783    -0.00000
   43    38 S   CM   _C13    60     1.73765    98.96332   176.33200
   44    43 S   HC   _H11    61     1.08575   117.29736    30.04221
   45    39 S   C4   _C12    39     1.35605   130.40479  -126.37387
   46    45 S   O    _O35    40     1.20888   133.53291   -42.90146
   47    39 S   C4T  _C7_    43     1.46371   113.22953    -2.72088
   48    47 S   HC   _H5_    44     1.09753   111.36058   104.02373
   49    43 S   CM   _C14    62     1.33662   121.98949  -149.98498
   50    49 S   HC   _H12    63     1.08395   122.93801    -0.00000
   51    45 S   C4T  _C6_    41     1.55245    90.13778   131.37918
   52    51 S   HC   _H4_    42     1.09697   111.77100   111.66032
   53    33 S   CT   _C8_    45     1.55347   111.12645    68.36980
   54    53 S   HC   _H9_    46     1.09509   113.40351   -36.29894
   55    53 S   HC   _H10    47     1.09783   111.01377  -157.00405
   56    49 S   N    _N5_    64     1.36175   122.52209  -180.00000
   57    56 S   H    _H13    65     1.01747   118.14140     0.05935
   58    51 S   CT   _C5_    48     1.50898   114.71328  -120.33456
   59    58 S   HC   _H3_    49     1.09898   110.10773    39.98862
   60    56 S   C    _C15    66     1.38711   123.72521   179.92867
   61    60 S   O    _O36    67     1.22938   126.04137     0.09691
   62    58 S   CT   _C4_    50     1.52571   112.30394   -81.66686
   63    62 S   HC   _H6_    51     1.09501   111.06974   -57.75481
   64    62 S   HC   _H7_    52     1.09597   110.73407  -178.55071
   65    62 S   HC   _H8_    53     1.09489   110.87751    63.19586
   66    58 S   OH   _O37    54     1.42876   109.67694   157.45171
   67    66 S   HO   _H17    55     0.96861   106.37618   179.98022
   68    60 S   CT   _C16    68     1.50695   112.45471  -178.54209
   69    68 S   HC   _H14    69     1.09301   109.43520    90.00978
   70    68 S   HC   _H15    70     1.09313   109.16914   -29.71313
   71    68 S   HC   _H16    71     1.09391   111.05803  -150.35954
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  14  11  13   5   1   1   7   3  10   4  10   6
   6   3  12   5   3   1   1   7   3   7   6   5   4   5   3   2
   1   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    53    54    55    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    51    47    48    53    54    55    40    41    42    38    43    44    49  
   35    36  
   36  
    0  
   39    45    46    51    47    48    53    54    55    40    41    42    38    43  
   43    44    49    50    56    39    40    47    53    54    55  
   45    46    51    52    47    48    53    54    55    58    40    41    42  
   41    42    45    47    53  
   42  
    0  
   44    49    50    56    57    60    53  
   49    50    56  
   46    51    52    47    48    53    58    59    62    66  
   51    52    47    58  
   48    53    54    55    58    59    62    66    51    52  
   53    54    55    58    51    52  
   50    56    57    60    61    68  
   56    57    60  
   52    53    54    55    58    59    62    63    64    65    66    67  
   53    58    59    62    66  
   54    55    58  
   55  
    0  
   57    60    61    68    69    70    71  
   60    61    68  
   59    62    63    64    65    66    67  
   62    63    64    65    66    67  
   61    68    69    70    71  
   68    69    70    71  
   63    64    65    66    67  
   64    65    66  
   65    66  
   66  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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  -0.175000   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   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.063700   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  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
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    53   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    51   250.000  1.540
   51    52   340.000  1.090
   51    47   268.000  1.529
   51    58   260.000  1.519
   47    48   340.000  1.090
   47    53   260.000  1.519
   53    54   340.000  1.090
   53    55   340.000  1.090
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    66   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   240.000  1.763
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    56   400.000  1.384
   56    57   434.000  1.010
   56    60   490.000  1.335
   60    61   570.000  1.229
   60    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    53    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    53    47    70.00000  112.98000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    43    85.00000  102.41200
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    45    46    75.00000  131.60000
   39    45    51    95.00000   92.72400
   39    47    51   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    53    80.00000  110.05700
   45    51    52    40.00000  113.37500
   45    51    47   100.00000   86.36000
   45    51    58    63.00000  111.10000
   51    45    46    60.00000  136.58000
   51    47    48    37.50000  110.70000
   51    47    53    65.00000  119.52000
   51    58    59    45.00000  111.22300
   51    58    62    70.00000  112.98000
   51    58    66    50.00000  109.50000
   47    39    45   100.00000   93.00000
   47    51    52    37.50000  110.70000
   47    53    54    45.00000  111.22300
   47    53    55    45.00000  111.22300
   53    33    37    70.00000  112.02700
   53    47    48    45.00000  112.72800
   55    53    54    33.00000  107.80000
   58    51    52    45.00000  112.72800
   58    51    47    65.00000  119.52000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   58    66    67    55.00000  108.50000
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    62    50.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    53    75.00000  111.63000
   38    43    44    40.00000  115.49800
   38    43    49    65.00000  122.11800
   43    49    50    35.00000  120.00000
   43    49    56    75.00000  120.83300
   49    43    44    35.00000  120.00000
   49    56    57    45.00000  117.55000
   49    56    60    70.00000  120.89900
   56    49    50    45.00000  111.09300
   56    60    61    80.00000  122.90000
   56    60    68    70.00000  116.60000
   60    56    57    35.00000  119.80000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   68    60    61    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   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    45   0.00000  1.0 1.0
   33    37   -39    47   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   1.00000 -1.0 2.0
   33    38    43    49   1.00000 -1.0 2.0
   37    33   -53    47   0.34400  1.0 1.0
   37    33   -53    47   0.09450 -1.0 2.0
   37    33   -53    47   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    43   0.00000  1.0 1.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    51   3.00000 -1.0 2.0
   37    39   -47    51   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    53   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    45    51    52   0.00000  1.0 1.0
   39    45   -51    47   3.00000 -1.0 2.0
   39    45    51    58   1.39750  1.0 1.0
   39    45    51    58  -0.07950 -1.0 2.0
   39    45    51    58  -0.18750  1.0 3.0
   39    47   -53    33   0.43900  1.0 1.0
   39    47   -53    33   0.49100 -1.0 2.0
   39    47   -53    33   0.28400  1.0 3.0
   39    47    53    54   0.15000  1.0 3.0
   39    47    53    55   0.15000  1.0 3.0
   45    39   -47    51   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    53   0.00000  1.0 1.0
   45    51   -47    39   3.00000 -1.0 2.0
   45    51   -47    48   0.15000  1.0 3.0
   45    51   -47    53  -0.95700  1.0 1.0
   45    51   -47    53  -0.18200 -1.0 2.0
   45    51   -47    53   0.29450  1.0 3.0
   45    51    58    59  -0.11250  1.0 3.0
   45    51    58    62  -0.95700  1.0 1.0
   45    51    58    62  -0.18200 -1.0 2.0
   45    51    58    62   0.29450  1.0 3.0
   45    51    58    66  -0.09450  1.0 1.0
   45    51    58    66  -1.12950 -1.0 2.0
   45    51    58    66   0.54000  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    47  -0.11250  1.0 1.0
   46    45    51    47   0.11400 -1.0 2.0
   46    45    51    47  -0.28950  1.0 3.0
   46    45    51    58   0.30150 -1.0 2.0
   51    47    53    33   0.04050  1.0 1.0
   51    47    53    33   0.63700 -1.0 2.0
   51    47    53    33   0.17650  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    55   0.00000  1.0 1.0
   51    58    62    63   0.15000  1.0 3.0
   51    58    62    64   0.15000  1.0 3.0
   51    58    62    65   0.15000  1.0 3.0
   51    58    66    67  -0.11600  1.0 1.0
   51    58    66    67  -0.09450 -1.0 2.0
   51    58    66    67   0.21250  1.0 3.0
   52    51   -47    39   0.15000  1.0 3.0
   52    51    47    48   0.15000  1.0 3.0
   52    51    47    53   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   52    51    58    66   0.23400  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    51   3.00000 -1.0 2.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    62   0.04050  1.0 1.0
   47    51    58    62   0.63700 -1.0 2.0
   47    51    58    62   0.17650  1.0 3.0
   47    51    58    66   0.86500  1.0 1.0
   47    51    58    66  -0.17500 -1.0 2.0
   47    51    58    66   0.20800  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   53    33   -37    39  -0.93550  1.0 1.0
   53    33   -37    39   0.38900 -1.0 2.0
   53    33   -37    39   0.16950  1.0 3.0
   53    33    37    40   0.09850  1.0 1.0
   53    33    37    40   0.15250 -1.0 2.0
   53    33    37    40  -0.50650  1.0 3.0
   53    33    38    43   0.00000  1.0 1.0
   58    51   -47    39   0.43900  1.0 1.0
   58    51   -47    39   0.49100 -1.0 2.0
   58    51   -47    39   0.28400  1.0 3.0
   58    51    47    48   0.15000  1.0 3.0
   58    51    47    53   0.56750  1.0 1.0
   58    51    47    53  -0.07550 -1.0 2.0
   58    51    47    53   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   62    58    66    67  -0.11600  1.0 1.0
   62    58    66    67  -0.09450 -1.0 2.0
   62    58    66    67   0.21250  1.0 3.0
   66    58    62    63   0.23400  1.0 3.0
   66    58    62    64   0.23400  1.0 3.0
   66    58    62    65   0.23400  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   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    53    47   0.44750  1.0 1.0
   38    33    53    47  -0.17800 -1.0 2.0
   38    33    53    47   0.20200  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    56   7.00000 -1.0 2.0
   43    49    56    57   0.78350 -1.0 2.0
   43    49    56    60  -0.18900  1.0 1.0
   43    49    56    60   1.70900 -1.0 2.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    56   7.00000 -1.0 2.0
   49    56    60    61   2.67200 -1.0 2.0
   49    56    60    68   0.67100  1.0 1.0
   49    56    60    68   1.42150 -1.0 2.0
   49    56    60    68   0.18700  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   1.44600  1.0 1.0
   56    60    68    69   0.00000  1.0 1.0
   56    60    68    70   0.00000  1.0 1.0
   56    60    68    71   0.00000  1.0 1.0
   57    56    60    61   2.45000 -1.0 2.0
   57    56    60    68   2.45000 -1.0 2.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    70   0.00000  1.0 1.0
   61    60    68    71   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
   47    45    39    37   1.00000 -1.0 2.0
   39    51    45    46  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   38    44    43    49  15.00000 -1.0 2.0
   56    50    49    43  15.00000 -1.0 2.0
   57    60    56    49   1.00000 -1.0 2.0
   56    68    60    61  10.50000 -1.0 2.0
END
