* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    136    208     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    37.37664   128.25492
    3     1 S   H    _H1_     3     1.02123    77.94776   -86.68335
    4     1 S   H    _H2_     4     1.02058   100.01667    20.50070
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   S    _S2_    36     2.05136   101.84057   179.98022
   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   _C9_    37     1.83189   101.08500    90.00397
   38    37 S   HC   _H5_    38     1.09467   106.39977   -36.58633
   39    37 S   CT   _C8_    39     1.52425   108.29347    80.01975
   40    39 S   HC   _H4_    40     1.09333   107.92816   -56.92844
   41    37 S   CT   _C10    65     1.54230   110.06760  -154.81386
   42    41 S   HC   _H6_    66     1.09854   108.86617  -161.83431
   43    39 S   CT   _C7_    41     1.53360   111.67921    64.86327
   44    43 S   HC   _H14    42     1.09663   113.33548     4.70940
   45    43 S   HC   _H15    43     1.09997   109.61311  -114.99101
   46    41 S   CT   _C11    67     1.53346   111.54889    77.01131
   47    46 S   HC   _H16    68     1.09421   110.90489   -80.00302
   48    46 S   HC   _H17    69     1.09374   111.12707    41.25808
   49    41 S   OH   _O33    72     1.42799   109.49112   -43.81059
   50    49 S   HO   _H19    73     0.96882   106.37643  -177.66276
   51    43 S   CT   _C6_    44     1.52368   105.43088   127.61484
   52    51 S   HC   _H12    45     1.09337   110.48019   141.66394
   53    51 S   HC   _H13    46     1.09472   109.79518   -99.34734
   54    46 S   SH   _S1_    70     1.82206   111.26193   160.21385
   55    54 S   HS   _H18    71     1.33835    95.82807   180.00000
   56    51 S   CT   _C5_    47     1.52518   104.67215    18.75467
   57    56 S   HC   _H3_    48     1.10213   107.49243  -152.61414
   58    56 S   CT   _C12    49     1.52275   111.45122    87.43606
   59    58 S   HC   _H7_    50     1.09387   109.16150   -80.02527
   60    39 S   NT   _N4_    60     1.46912   112.09517  -178.36195
   61    58 S   CT   _C13    51     1.53506   113.69330    42.25191
   62    61 S   HC   _H8_    52     1.09682   109.48857   -70.49782
   63    60 S   CT   _C4_    61     1.45476   113.80293    80.28451
   64    63 S   HC   _H9_    62     1.09284   110.09594   -55.82160
   65    63 S   HC   _H10    63     1.09244   110.29884  -175.89988
   66    63 S   HC   _H11    64     1.09363   110.17933    64.09663
   67    61 S   CT   _C14    53     1.52861   109.96645   169.60486
   68    67 S   HC   _H20    54     1.09411   110.91732    71.33569
   69    67 S   HC   _H21    55     1.09387   111.83685  -166.79128
   70    61 S   OH   _O34    58     1.42620   111.32745    46.94145
   71    70 S   HO   _H22    59     0.96912   106.45293  -177.60600
   72    67 S   S    _S3_    56     1.81596   107.64696   -47.11688
   73    58 S   S    _S4_    57     1.82155   110.14964   162.34644
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  18   8  19   8  10   6  10   6   5   6   4   3
   2   1  10   5   4   1   1  14   6  12   7   6   8   7   3   2
   1   1   6   4   3   3   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    60    41    42    46    49  
   35    36  
   36  
    0  
   38    39    40    43    44    45    51    56    60    63    41    42    46    47    48    54    49    50  
   39    40    43    60    41    42    46    49  
   40    43    44    45    51    52    53    56    57    58    60    63    64    65    66    41    42    46    49  
   43    44    45    51    56    60    63    41  
   42    46    47    48    54    55    49    50    43    60  
   46    47    48    54    49    50  
   44    45    51    52    53    56    57    58    60    63  
   45    51    52    53    56    60  
   51    52    53    56    60  
   47    48    54    55    49    50  
   48    54    55    49  
   54    55    49  
   50    54  
    0  
   52    53    56    57    58    59    61    73    60    63  
   53    56    57    58    60  
   56    57    58    60  
   55  
    0  
   57    58    59    61    62    67    72    73    70    60    63    64    65    66  
   58    59    61    73    60    63  
   59    61    62    67    68    69    72    73    70    71    60    63  
   61    62    67    72    73    70    60  
   63    64    65    66    61    73  
   62    67    68    69    72    73    70    71  
   67    68    69    72    73    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    72    73    70    71  
   69    72    73    70  
   72    73    70  
   71    72    73  
    0  
   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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   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   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   55   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   73   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    41   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    60   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   382.000  1.448
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    73   222.000  1.810
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   222.000  1.810
   72    73   166.000  2.038
   70    71   553.000  0.945
   60    63   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   222.000  1.810
   54    55   274.000  1.336
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    75.00000  111.63000
   33    37    41    75.00000  111.63000
   37    39    40    37.50000  110.70000
   37    39    43    58.35000  112.70000
   37    39    60    56.20000  109.47000
   37    41    42    37.50000  110.70000
   37    41    46    58.35000  112.70000
   37    41    49    50.00000  109.50000
   39    37    38    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    51    58.35000  112.70000
   39    60    56    51.80000  107.20000
   39    60    63    51.80000  107.20000
   43    39    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    58.35000  112.70000
   51    56    60    56.20000  109.47000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    58    73    75.00000  111.63000
   56    60    63    51.80000  107.20000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    67    58.35000  112.70000
   58    61    70    50.00000  109.50000
   58    73    72    68.00000  103.70000
   61    58    59    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    75.00000  111.63000
   61    70    71    55.00000  108.50000
   67    61    62    37.50000  110.70000
   67    72    73    68.00000  103.70000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   73    58    59    35.00000  109.50000
   73    58    61    75.00000  111.63000
   70    61    62    35.00000  109.50000
   70    61    67    50.00000  109.50000
   60    39    40    35.00000  109.50000
   60    39    43    56.20000  109.47000
   60    56    57    35.00000  109.50000
   60    56    58    56.20000  109.47000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    54    50.00000  108.60000
   41    49    50    55.00000  108.50000
   46    41    42    37.50000  110.70000
   46    54    55    44.00000   96.00000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   49    41    42    35.00000  109.50000
   49    41    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.09450  1.0 1.0
   29    33    37    39  -0.17100 -1.0 2.0
   29    33    37    39   0.39100  1.0 3.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    39    40   0.15000  1.0 3.0
   33    37    39    43   0.44750  1.0 1.0
   33    37    39    43  -0.17800 -1.0 2.0
   33    37    39    43   0.20200  1.0 3.0
   33    37    39    60   0.56750  1.0 1.0
   33    37    39    60  -0.07550 -1.0 2.0
   33    37    39    60   0.20000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    46   0.44750  1.0 1.0
   33    37    41    46  -0.17800 -1.0 2.0
   33    37    41    46   0.20200  1.0 3.0
   33    37    41    49   0.56750  1.0 1.0
   33    37    41    49  -0.07550 -1.0 2.0
   33    37    41    49   0.20000  1.0 3.0
   37    39    43    44   0.15000  1.0 3.0
   37    39    43    45   0.15000  1.0 3.0
   37    39    43    51   0.56750  1.0 1.0
   37    39    43    51  -0.07550 -1.0 2.0
   37    39    43    51   0.20000  1.0 3.0
   37    39    60    56   0.23450  1.0 1.0
   37    39    60    56   0.02050 -1.0 2.0
   37    39    60    56   0.25250  1.0 3.0
   37    39    60    63   0.23450  1.0 1.0
   37    39    60    63   0.02050 -1.0 2.0
   37    39    60    63   0.25250  1.0 3.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    54   0.43650  1.0 1.0
   37    41    49    50  -0.11600  1.0 1.0
   37    41    49    50  -0.09450 -1.0 2.0
   37    41    49    50   0.21250  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    43   0.15000  1.0 3.0
   38    37    39    60   0.15000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   38    37    41    49   0.23400  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    46   0.56750  1.0 1.0
   39    37    41    46  -0.07550 -1.0 2.0
   39    37    41    46   0.20000  1.0 3.0
   39    37    41    49   0.86500  1.0 1.0
   39    37    41    49  -0.17500 -1.0 2.0
   39    37    41    49   0.20800  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43   -51    56   0.56750  1.0 1.0
   39    43   -51    56  -0.07550 -1.0 2.0
   39    43   -51    56   0.20000  1.0 3.0
   39    60    63    64   0.28000  1.0 3.0
   39    60    63    65   0.28000  1.0 3.0
   39    60    63    66   0.28000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    60    56   0.28000  1.0 3.0
   40    39    60    63   0.28000  1.0 3.0
   43    39   -60    56   0.23450  1.0 1.0
   43    39   -60    56   0.02050 -1.0 2.0
   43    39   -60    56   0.25250  1.0 3.0
   43    39    60    63   0.58650  1.0 1.0
   43    39    60    63   0.12600 -1.0 2.0
   43    39    60    63   0.33350  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.56750  1.0 1.0
   43    51    56    58  -0.07550 -1.0 2.0
   43    51    56    58   0.20000  1.0 3.0
   43    51   -56    60   1.53400  1.0 1.0
   43    51   -56    60  -0.09950 -1.0 2.0
   43    51   -56    60   0.05700  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    56   0.15000  1.0 3.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    61   0.56750  1.0 1.0
   51    56    58    61  -0.07550 -1.0 2.0
   51    56    58    61   0.20000  1.0 3.0
   51    56    58    73   0.44750  1.0 1.0
   51    56    58    73  -0.17800 -1.0 2.0
   51    56    58    73   0.20200  1.0 3.0
   51    56   -60    39   0.23450  1.0 1.0
   51    56   -60    39   0.02050 -1.0 2.0
   51    56   -60    39   0.25250  1.0 3.0
   51    56    60    63   0.58650  1.0 1.0
   51    56    60    63   0.12600 -1.0 2.0
   51    56    60    63   0.33350  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58    61    67   0.56750  1.0 1.0
   56    58    61    67  -0.07550 -1.0 2.0
   56    58    61    67   0.20000  1.0 3.0
   56    58    61    70   0.86500  1.0 1.0
   56    58    61    70  -0.17500 -1.0 2.0
   56    58    61    70   0.20800  1.0 3.0
   56    58    73    72   0.09450  1.0 1.0
   56    58    73    72  -0.17100 -1.0 2.0
   56    58    73    72   0.39100  1.0 3.0
   56    60    63    64   0.28000  1.0 3.0
   56    60    63    65   0.28000  1.0 3.0
   56    60    63    66   0.28000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    58    73   0.15000  1.0 3.0
   57    56    60    39   0.28000  1.0 3.0
   57    56    60    63   0.28000  1.0 3.0
   58    56    60    39   0.23450  1.0 1.0
   58    56    60    39   0.02050 -1.0 2.0
   58    56    60    39   0.25250  1.0 3.0
   58    56    60    63   0.23450  1.0 1.0
   58    56    60    63   0.02050 -1.0 2.0
   58    56    60    63   0.25250  1.0 3.0
   58    61    67    68   0.15000  1.0 3.0
   58    61    67    69   0.15000  1.0 3.0
   58    61   -67    72   0.44750  1.0 1.0
   58    61   -67    72  -0.17800 -1.0 2.0
   58    61   -67    72   0.20200  1.0 3.0
   58    61    70    71  -0.11600  1.0 1.0
   58    61    70    71  -0.09450 -1.0 2.0
   58    61    70    71   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    67   0.15000  1.0 3.0
   59    58    61    70   0.23400  1.0 3.0
   59    58    73    72   0.24000  1.0 3.0
   61    58   -73    72   0.09450  1.0 1.0
   61    58   -73    72  -0.17100 -1.0 2.0
   61    58   -73    72   0.39100  1.0 3.0
   61    67   -72    73   0.09450  1.0 1.0
   61    67   -72    73  -0.17100 -1.0 2.0
   61    67   -72    73   0.39100  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    70    71   0.19450  1.0 3.0
   67    61    70    71  -0.11600  1.0 1.0
   67    61    70    71  -0.09450 -1.0 2.0
   67    61    70    71   0.21250  1.0 3.0
   67    72   -73    58  -3.49700 -1.0 2.0
   67    72   -73    58   0.74750  1.0 3.0
   68    67    72    73   0.24000  1.0 3.0
   69    67    72    73   0.24000  1.0 3.0
   73    58    61    62   0.15000  1.0 3.0
   73    58   -61    67   0.44750  1.0 1.0
   73    58   -61    67  -0.17800 -1.0 2.0
   73    58   -61    67   0.20200  1.0 3.0
   73    58    61    70   0.56750  1.0 1.0
   73    58    61    70  -0.07550 -1.0 2.0
   73    58    61    70   0.20000  1.0 3.0
   70    61    67    68   0.23400  1.0 3.0
   70    61    67    69   0.23400  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   60    39    43    44   0.15000  1.0 3.0
   60    39    43    45   0.15000  1.0 3.0
   60    39   -43    51   1.53400  1.0 1.0
   60    39   -43    51  -0.09950 -1.0 2.0
   60    39   -43    51   0.05700  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    61   1.53400  1.0 1.0
   60    56    58    61  -0.09950 -1.0 2.0
   60    56    58    61   0.05700  1.0 3.0
   60    56    58    73   0.56750  1.0 1.0
   60    56    58    73  -0.07550 -1.0 2.0
   60    56    58    73   0.20000  1.0 3.0
   41    37    39    40   0.15000  1.0 3.0
   41    37    39    43   0.56750  1.0 1.0
   41    37    39    43  -0.07550 -1.0 2.0
   41    37    39    43   0.20000  1.0 3.0
   41    37    39    60   1.53400  1.0 1.0
   41    37    39    60  -0.09950 -1.0 2.0
   41    37    39    60   0.05700  1.0 3.0
   41    46    54    55  -0.37950  1.0 1.0
   41    46    54    55  -0.15600 -1.0 2.0
   41    46    54    55   0.18750  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    54   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   46    41    49    50  -0.11600  1.0 1.0
   46    41    49    50  -0.09450 -1.0 2.0
   46    41    49    50   0.21250  1.0 3.0
   47    46    54    55   0.22550  1.0 3.0
   48    46    54    55   0.22550  1.0 3.0
   49    41    46    47   0.23400  1.0 3.0
   49    41    46    48   0.23400  1.0 3.0
   49    41    46    54   0.56750  1.0 1.0
   49    41    46    54  -0.07550 -1.0 2.0
   49    41    46    54   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
