* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    132    207     382
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    38.86468  -151.60237
    3     1 S   H    _H1_     3     1.02061   101.29842   -45.80576
    4     1 S   H    _H2_     4     1.02043    75.70218    60.87412
    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     1.82594    98.13138   161.77845
   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   CT   _C8_    37     1.55669   111.17825    40.01821
   38    37 S   HC   _H10    38     1.09583   113.63044    79.87680
   39    37 S   HC   _H11    39     1.09761   110.23557   -40.78600
   40    33 S   S    _S1_    60     1.84373   108.56583   160.11077
   41    37 S   C4T  _C7_    40     1.53232   103.64119  -158.62421
   42    41 S   HC   _H5_    41     1.09687   114.08128   -87.69433
   43    40 S   CM   _C13    61     1.73391    98.08884   -61.31756
   44    43 S   HC   _H12    62     1.08525   117.31808     0.05935
   45    41 S   C4T  _C6_    42     1.54676   123.57360   125.85562
   46    45 S   HC   _H4_    43     1.09678   113.23694   150.59045
   47    41 S   N4   _N4_    46     1.47974   101.47833    31.95502
   48    43 S   CM   _C14    63     1.33749   121.96906  -179.97202
   49    48 S   HC   _H13    64     1.08372   122.93161    -0.00000
   50    45 S   C4   _C11    44     1.54140    85.98444   -97.50858
   51    50 S   O    _O33    45     1.21033   135.74496   169.46515
   52    33 S   CT1  _C10    47     1.54493   111.84130   -74.75937
   53    52 S   HC   _H6_    48     1.09780   110.35563    35.29416
   54    45 S   CT   _C5_    52     1.50908   117.37441    18.73049
   55    54 S   HC   _H3_    53     1.09969   110.07945   -58.96939
   56    48 S   N    _N5_    65     1.36161   122.49119  -179.98022
   57    56 S   H    _H14    66     1.01724   118.18508     0.03426
   58    52 S   CO3  _C12    49     1.51396   118.15173   -87.24834
   59    58 S   O2Z  _O35    50     1.26215   115.28216    34.57745
   60    58 S   O2Z  _O34    51     1.26288   114.85509  -145.47993
   61    54 S   CT   _C4_    54     1.52561   112.35758   179.40752
   62    61 S   HC   _H7_    55     1.09449   111.07643   -57.69776
   63    61 S   HC   _H8_    56     1.09479   110.79530  -178.61647
   64    61 S   HC   _H9_    57     1.09646   110.84509    63.16630
   65    54 S   OH   _O37    58     1.42792   109.71157    58.51455
   66    65 S   HO   _H18    59     0.96919   106.33706   -60.03574
   67    56 S   C    _C15    67     1.38783   123.70365   179.92087
   68    67 S   O    _O36    68     1.22925   126.02879     0.13562
   69    67 S   CT   _C16    69     1.50633   112.42833  -178.54869
   70    69 S   HC   _H15    70     1.09346   109.42779    90.05973
   71    69 S   HC   _H16    71     1.09228   109.25779   -29.73710
   72    69 S   HC   _H17    72     1.09386   111.04789  -150.35574
  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
  17   2   1   1  14   7   6  10  13   6   7   3  13   7   8   6
   3   8   2   4   3   7   6   7   3   2   1   1   5   3   2   1
   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    47    52    53    58    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    45    50    47    52    53    58    59    60    40    43    44    48  
   35    36  
   36  
    0  
   38    39    41    42    45    46    50    47    52    53    58    54    40    43  
   39    41    42    45    47    52    40  
   41    42    45    47    52    40  
   43    44    48    49    56    41    47    52    53    58  
   42    45    46    50    51    47    52    53    58    54    55    61    65  
   45    46    50    47    52    54  
   44    48    49    56    57    67    52  
   48    49    56  
   46    50    51    47    52    54    55    61    62    63    64    65    66  
   50    51    47    54    55    61    65  
   52    53    58    59    60    54    50    51  
   49    56    57    67    68    69  
   56    57    67  
   51    52    53    58    54    55    61    65  
   52    54  
   53    58    59    60  
   58    59    60  
   55    61    62    63    64    65    66  
   61    62    63    64    65    66  
   57    67    68    69    70    71    72  
   67    68    69  
   59    60  
   60  
    0  
   62    63    64    65    66  
   63    64    65  
   64    65  
   65  
   66  
    0  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   260.000  1.519
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   305.000  1.456
   45    46   340.000  1.090
   45    50   250.000  1.540
   45    54   260.000  1.519
   50    51   930.000  1.212
   50    47   440.000  1.369
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    58   317.000  1.522
   58    59   656.000  1.250
   58    60   656.000  1.250
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    65   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   553.000  0.945
   40    43   240.000  1.763
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    49   340.000  1.080
   48    56   400.000  1.384
   56    57   434.000  1.010
   56    67   490.000  1.335
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.98000
   33    52    47    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    58    63.00000  111.10000
   33    40    43    85.00000  102.41200
   37    41    42    45.00000  112.72800
   37    41    45    65.00000  119.52000
   37    41    47    80.00000  110.05700
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  111.22300
   41    37    39    45.00000  111.22300
   41    45    46    37.50000  110.70000
   41    45    50   100.00000   86.36000
   41    45    54    65.00000  119.52000
   41    47    50   100.00000   93.00000
   41    47    52    50.00000  132.70000
   45    41    42    37.50000  110.70000
   45    50    51    60.00000  136.58000
   45    50    47    95.00000   92.72400
   45    54    55    45.00000  111.22300
   45    54    61    70.00000  112.98000
   45    54    65    50.00000  109.50000
   50    45    46    40.00000  113.37500
   50    47    52    50.00000  132.10000
   47    41    42    50.00000  112.01000
   47    41    45   105.00000   87.49700
   47    50    51    75.00000  131.60000
   47    52    53    35.00000  109.50000
   47    52    58    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    58    59    70.00000  117.00000
   52    58    60    70.00000  117.00000
   58    52    53    35.00000  109.50000
   60    58    59    80.00000  126.00000
   54    45    46    45.00000  112.72800
   54    45    50    63.00000  111.10000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   54    65    66    55.00000  108.50000
   61    54    55    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    61    50.00000  109.50000
   40    33    37    75.00000  111.63000
   40    33    52    75.00000  108.68000
   40    43    44    40.00000  115.49800
   40    43    48    65.00000  122.11800
   43    48    49    35.00000  120.00000
   43    48    56    75.00000  120.83300
   48    43    44    35.00000  120.00000
   48    56    57    45.00000  117.55000
   48    56    67    70.00000  120.89900
   56    48    49    45.00000  111.09300
   56    67    68    80.00000  122.90000
   56    67    69    70.00000  116.60000
   67    56    57    35.00000  119.80000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   69    67    68    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    52    47   0.71400  1.0 1.0
   29    33    52    47   0.04300 -1.0 2.0
   29    33    52    47   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58  -2.17200  1.0 1.0
   29    33    52    58  -0.85700 -1.0 2.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    45   0.04050  1.0 1.0
   33    37    41    45   0.63700 -1.0 2.0
   33    37    41    45   0.17650  1.0 3.0
   33    37   -41    47   0.43900  1.0 1.0
   33    37   -41    47   0.49100 -1.0 2.0
   33    37   -41    47   0.28400  1.0 3.0
   33    52    58    59   0.00000  1.0 1.0
   33    52    58    60   0.00000  1.0 1.0
   33    40    43    44   1.00000 -1.0 2.0
   33    40    43    48   1.00000 -1.0 2.0
   37    33   -52    47   0.42250  1.0 1.0
   37    33   -52    47  -0.48100 -1.0 2.0
   37    33   -52    47   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    58  -0.84850  1.0 1.0
   37    33    52    58  -0.22800 -1.0 2.0
   37    33    52    58   0.29250  1.0 3.0
   37    33    40    43   0.00000  1.0 1.0
   37    41    45    46   0.15000  1.0 3.0
   37    41    45    50  -0.95700  1.0 1.0
   37    41    45    50  -0.18200 -1.0 2.0
   37    41    45    50   0.29450  1.0 3.0
   37    41    45    54   0.56750  1.0 1.0
   37    41    45    54  -0.07550 -1.0 2.0
   37    41    45    54   0.20000  1.0 3.0
   37    41   -47    50   0.00000  1.0 1.0
   37    41   -47    52   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    41    47   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    45   0.00000  1.0 1.0
   39    37    41    47   0.15000  1.0 3.0
   41    45    50    51  -0.11250  1.0 1.0
   41    45    50    51   0.11400 -1.0 2.0
   41    45    50    51  -0.28950  1.0 3.0
   41    45   -50    47   3.00000 -1.0 2.0
   41    45    54    55   0.00000  1.0 1.0
   41    45    54    61   0.04050  1.0 1.0
   41    45    54    61   0.63700 -1.0 2.0
   41    45    54    61   0.17650  1.0 3.0
   41    45    54    65   0.86500  1.0 1.0
   41    45    54    65  -0.17500 -1.0 2.0
   41    45    54    65   0.20800  1.0 3.0
   41    47   -52    33   0.00000  1.0 1.0
   41    47    52    53   0.00000  1.0 1.0
   41    47    52    58   0.00000  1.0 1.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   42    41    45    54   0.15000  1.0 3.0
   42    41   -47    50   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   45    41   -47    50   0.00000  1.0 1.0
   45    41    47    52   0.00000  1.0 1.0
   45    50   -47    41   3.00000 -1.0 2.0
   45    50   -47    52   3.00000 -1.0 2.0
   45    54    61    62   0.15000  1.0 3.0
   45    54    61    63   0.15000  1.0 3.0
   45    54    61    64   0.15000  1.0 3.0
   45    54    65    66  -0.11600  1.0 1.0
   45    54    65    66  -0.09450 -1.0 2.0
   45    54    65    66   0.21250  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    47   0.00000  1.0 1.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    61   0.15000  1.0 3.0
   46    45    54    65   0.23400  1.0 3.0
   50    45    54    55  -0.11250  1.0 3.0
   50    45    54    61  -0.95700  1.0 1.0
   50    45    54    61  -0.18200 -1.0 2.0
   50    45    54    61   0.29450  1.0 3.0
   50    45    54    65  -0.09450  1.0 1.0
   50    45    54    65  -1.12950 -1.0 2.0
   50    45    54    65   0.54000  1.0 3.0
   50    47    52    33   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    58   0.00000  1.0 1.0
   51    50   -47    41   3.00000 -1.0 2.0
   51    50    47    52   3.00000 -1.0 2.0
   47    41   -45    46   0.15000  1.0 3.0
   47    41   -45    50   3.00000 -1.0 2.0
   47    41    45    54   0.43900  1.0 1.0
   47    41    45    54   0.49100 -1.0 2.0
   47    41    45    54   0.28400  1.0 3.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    41   0.31550 -1.0 2.0
   52    33   -37    41   0.11250  1.0 3.0
   52    33    40    43   0.00000  1.0 1.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    45    50    51   0.30150 -1.0 2.0
   54    45   -50    47   1.39750  1.0 1.0
   54    45   -50    47  -0.07950 -1.0 2.0
   54    45   -50    47  -0.18750  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   61    54    65    66  -0.11600  1.0 1.0
   61    54    65    66  -0.09450 -1.0 2.0
   61    54    65    66   0.21250  1.0 3.0
   65    54    61    62   0.23400  1.0 3.0
   65    54    61    63   0.23400  1.0 3.0
   65    54    61    64   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.44750  1.0 1.0
   40    33    37    41  -0.17800 -1.0 2.0
   40    33    37    41   0.20200  1.0 3.0
   40    33    52    47   0.71400  1.0 1.0
   40    33    52    47   0.04300 -1.0 2.0
   40    33    52    47   0.01450  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    58  -2.17200  1.0 1.0
   40    33    52    58  -0.85700 -1.0 2.0
   40    43    48    49   7.00000 -1.0 2.0
   40    43    48    56   7.00000 -1.0 2.0
   43    48    56    57   0.78350 -1.0 2.0
   43    48    56    67  -0.18900  1.0 1.0
   43    48    56    67   1.70900 -1.0 2.0
   44    43    48    49   7.00000 -1.0 2.0
   44    43    48    56   7.00000 -1.0 2.0
   48    56    67    68   2.67200 -1.0 2.0
   48    56    67    69   0.67100  1.0 1.0
   48    56    67    69   1.42150 -1.0 2.0
   48    56    67    69   0.18700  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    67   1.44600  1.0 1.0
   56    67    69    70   0.00000  1.0 1.0
   56    67    69    71   0.00000  1.0 1.0
   56    67    69    72   0.00000  1.0 1.0
   57    56    67    68   2.45000 -1.0 2.0
   57    56    67    69   2.45000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   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
   45    47    50    51  10.50000 -1.0 2.0
   52    50    47    41   1.00000 -1.0 2.0
   59    52    58    60  10.50000 -1.0 2.0
   40    44    43    48  15.00000 -1.0 2.0
   56    49    48    43  15.00000 -1.0 2.0
   57    67    56    48   1.00000 -1.0 2.0
   56    69    67    68  10.50000 -1.0 2.0
END
