* LIGAND DATABASE FILE (OPLS2005)
*
001      69    72    135    217     383
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02145    73.08614   -92.92448
    3     1 S   H    _H1_     3     1.02079   102.59311    13.01117
    4     1 S   H    _H2_     4     1.02029    40.73233   117.19475
    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     1.08583   110.55165    58.73304
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C16    36     1.84458    97.42128  -178.16293
   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     1.52792   110.78733   -60.00797
   38    33 S   CT   _C17    66     1.52905   108.84785   175.26062
   39    38 S   HC   _H13    67     1.08888   109.74899   -56.53295
   40    38 S   HC   _H14    68     1.08864   109.76026  -176.52870
   41    38 S   HC   _H15    69     1.08836   109.75864    63.49333
   42    37 S   CM   _C9_    38     1.35482   129.46466   -43.19189
   43    37 S   CT   _C11    48     1.55878   108.65653   128.99731
   44    42 S   C5BC _C8_    39     1.42634   119.53228   163.68331
   45    43 S   C3T  _C13    49     1.52128   105.12394   -15.12000
   46    45 S   HC   _H3_    50     1.08194   115.25448  -126.71146
   47    43 S   CT   _C18    56     1.54762   109.85674   103.44707
   48    47 S   HC   _H16    57     1.08152   108.76866  -179.96044
   49    47 S   HC   _H17    58     1.08136   108.77467    59.97441
   50    47 S   HC   _H18    59     1.08194   108.75099   -60.01059
   51    42 S   OH   _O34    64     1.37382   125.09370    -9.81408
   52    51 S   HO   _H19    65     0.96418   110.19912    -6.25279
   53    44 S   C5BC _C5_    40     1.40752   135.12830   169.39102
   54    45 S   C3T  _C14    51     1.50808   122.63384    75.74521
   55    54 S   HC   _H11    52     1.08006   120.60201    13.65154
   56    54 S   HC   _H12    53     1.08573   117.16764   157.95592
   57    53 S   C5A  _C6_    41     1.38220   105.55553   178.46545
   58    57 S   HA   _H8_    42     1.08038   133.58165   179.81655
   59    33 S   C3T  _C15    54     1.53241   106.12345    54.27117
   60    59 S   HC   _H4_    55     1.08254   116.47958    11.49764
   61    53 S   CT   _C4_    60     1.47414   128.18565    -1.61943
   62    61 S   HC   _H5_    61     1.10295   111.21627   -89.88643
   63    61 S   HC   _H6_    62     1.10365   112.12458    30.59011
   64    61 S   HC   _H7_    63     1.10375   112.13611   149.61340
   65    57 S   OA   _O33    43     1.36496   111.23739    -0.35991
   66    44 S   C5A  _C7_    44     1.37697   118.61225   -12.89507
   67    66 S   CT   _C12    45     1.48629   126.89721     1.84441
   68    67 S   HC   _H9_    46     1.09661   111.38243   148.56111
   69    67 S   HC   _H10    47     1.09670   108.64579   -93.40291
  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  12   5   4   3
  18   2   1   1  23   9   3   2   1  13  18  14  14   7   9   3
   2   1   3   1   9   5   3   2   8   3   2   1   5   2   1   1
   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    43    45    54    59    60    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    44    67    43    45    46    54    55    56    59    60    47    51    38    39    40    41  
   35    36  
   36  
    0  
   42    44    53    66    67    68    69    43    45    46    54    59    60    47    48    49    50    51    52    38    39    40    41  
   39    40    41    42    43    45    54    59    60  
   40    41    59  
   41    59  
   59  
   44    53    57    65    66    67    43    45    59    47    61    51    52  
   45    46    54    55    56    59    60    47    48    49    50    51    44    65    66    67    68    69  
   53    57    58    65    66    67    68    69    61    62    63    64    51    52  
   46    54    55    56    59    60    47    48    49    50    66    67    68    69  
   54    55    56    59    60    47    67  
   48    49    50    54    59    66    67    68    69  
   49    50    67  
   50    67  
   67  
   52    53    66  
    0  
   57    58    65    66    67    61    62    63    64  
   55    56    59    60    67  
   56    59    60  
   59    60  
   58    65    66    67    61    62    63    64  
   65    66    61  
   60    67  
    0  
   62    63    64    65    66  
   63    64  
   64  
    0  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760  -0.028000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.065000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   66   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   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
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    59   275.000  1.510
   33    38   268.000  1.529
   37    42   549.000  1.340
   37    43   317.000  1.510
   42    44   320.000  1.460
   42    51   510.000  1.338
   44    53   469.000  1.424
   44    66   546.000  1.367
   53    57   546.000  1.367
   53    61   285.000  1.502
   57    58   367.000  1.080
   57    65   340.000  1.360
   65    66   340.000  1.360
   66    67   295.000  1.489
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    43   268.000  1.529
   43    45   275.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.088
   45    54   260.000  1.509
   45    59   260.000  1.509
   54    55   340.000  1.088
   54    56   340.000  1.088
   54    59   260.000  1.509
   59    60   340.000  1.088
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    52   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    59    45    60.00000  120.94000
   33    59    54    60.00000  120.94000
   33    59    60    40.00000  115.04500
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    44    60.00000  123.20500
   37    42    51    80.00000  121.38400
   37    43    67    70.00000  112.02700
   37    43    45    70.00000  112.02700
   37    43    47    70.00000  112.02700
   42    44    53    60.00000  120.93500
   42    44    66    60.00000  120.93500
   42    51    52    70.00000  107.45700
   44    53    57    70.00000  107.30000
   44    53    61    60.00000  130.00000
   44    66    65    70.00000  110.60000
   44    66    67    50.00000  133.50000
   53    57    58    35.00000  132.10000
   53    57    65    70.00000  110.60000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   57    65    66    70.00000  106.50000
   65    57    58    35.00000  113.40000
   65    66    67    80.00000  116.10000
   66    44    53    70.00000  107.30000
   66    67    68    45.00000  110.47400
   66    67    69    45.00000  110.47400
   66    67    43    70.00000  113.44400
   67    43    45    70.00000  112.37300
   67    43    47    58.35000  112.70000
   69    67    68    33.00000  107.80000
   43    37    42    70.00000  124.00000
   43    67    68    37.50000  110.70000
   43    67    69    37.50000  110.70000
   43    45    46    40.00000  115.04500
   43    45    54    60.00000  120.94000
   43    45    59    60.00000  120.94000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   45    54    55    37.50000  117.20000
   45    54    56    37.50000  117.20000
   45    54    59    10.00000   60.00500
   45    59    54    10.00000   60.00500
   45    59    60    37.50000  117.20000
   54    45    46    37.50000  117.20000
   54    59    60    37.50000  117.20000
   56    54    55    35.00000  114.30000
   59    33    37    70.00000  112.02700
   59    45    46    37.50000  117.20000
   59    45    54    10.00000   60.00500
   59    54    55    37.50000  117.20000
   59    54    56    37.50000  117.20000
   47    43    45    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   61    53    57    60.00000  130.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    42    44    85.00000  114.86500
   38    33    37    70.00000  112.02700
   38    33    59    70.00000  112.37300
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    59    45   0.44750  1.0 1.0
   29    33    59    45  -0.17800 -1.0 2.0
   29    33    59    45   0.20200  1.0 3.0
   29    33    59    54   0.44750  1.0 1.0
   29    33    59    54  -0.17800 -1.0 2.0
   29    33    59    54   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    44   7.00000 -1.0 2.0
   33    37    42    51   7.00000 -1.0 2.0
   33    37    43    67   0.46850  1.0 1.0
   33    37    43    67   0.08550 -1.0 2.0
   33    37    43    67   0.09800  1.0 3.0
   33    37   -43    45   0.46850  1.0 1.0
   33    37   -43    45   0.08550 -1.0 2.0
   33    37   -43    45   0.09800  1.0 3.0
   33    37    43    47   0.46850  1.0 1.0
   33    37    43    47   0.08550 -1.0 2.0
   33    37    43    47   0.09800  1.0 3.0
   37    33   -59    45   0.34400  1.0 1.0
   37    33   -59    45   0.09450 -1.0 2.0
   37    33   -59    45   0.11100  1.0 3.0
   37    33    59    54   0.34400  1.0 1.0
   37    33    59    54   0.09450 -1.0 2.0
   37    33    59    54   0.11100  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    44    53   0.15800  1.0 1.0
   37    42    44    53   1.85350 -1.0 2.0
   37    42    44    53  -0.48700  1.0 3.0
   37    42    44    66   0.15800  1.0 1.0
   37    42    44    66   1.85350 -1.0 2.0
   37    42    44    66  -0.48700  1.0 3.0
   37    42    51    52  -0.66100  1.0 1.0
   37    42    51    52   1.20850 -1.0 2.0
   37    42    51    52  -0.36000  1.0 3.0
   37    43    45    46   0.15000  1.0 3.0
   37    43   -45    54   0.34400  1.0 1.0
   37    43   -45    54   0.09450 -1.0 2.0
   37    43   -45    54   0.11100  1.0 3.0
   37    43   -45    59   0.34400  1.0 1.0
   37    43   -45    59   0.09450 -1.0 2.0
   37    43   -45    59   0.11100  1.0 3.0
   37    43    47    48   0.15000  1.0 3.0
   37    43    47    49   0.15000  1.0 3.0
   37    43    47    50   0.15000  1.0 3.0
   42    37    43    67   0.09850  1.0 1.0
   42    37    43    67   0.15250 -1.0 2.0
   42    37    43    67  -0.50650  1.0 3.0
   42    37    43    45   0.09850  1.0 1.0
   42    37    43    45   0.15250 -1.0 2.0
   42    37    43    45  -0.50650  1.0 3.0
   42    37    43    47   0.09850  1.0 1.0
   42    37    43    47   0.15250 -1.0 2.0
   42    37    43    47  -0.50650  1.0 3.0
   42    44    53    57   3.62500 -1.0 2.0
   42    44    53    61   3.62500 -1.0 2.0
   42    44    66    65   3.62500 -1.0 2.0
   42    44   -66    67   3.62500 -1.0 2.0
   44    42    51    52   2.00000 -1.0 2.0
   44    53    57    58   3.62500 -1.0 2.0
   44    53   -57    65   3.62500 -1.0 2.0
   44    53    61    62   0.00000  1.0 1.0
   44    53    61    63   0.00000  1.0 1.0
   44    53    61    64   0.00000  1.0 1.0
   44    66    67    68   0.00000  1.0 1.0
   44    66    67    69   0.00000  1.0 1.0
   44    66    67    43   0.04150 -1.0 2.0
   53    44   -66    65   3.62500 -1.0 2.0
   53    44    66    67   3.62500 -1.0 2.0
   53    57   -65    66   3.62500 -1.0 2.0
   57    53    61    62   0.00000  1.0 1.0
   57    53    61    63   0.00000  1.0 1.0
   57    53    61    64   0.00000  1.0 1.0
   57    65   -66    44   3.62500 -1.0 2.0
   57    65    66    67   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   65    66    67    68   0.00000  1.0 1.0
   65    66    67    69   0.00000  1.0 1.0
   65    66    67    43   0.38650  1.0 1.0
   65    66    67    43  -0.24750 -1.0 2.0
   65    66    67    43   0.76750  1.0 3.0
   66    44   -53    57   3.62500 -1.0 2.0
   66    44    53    61   3.62500 -1.0 2.0
   66    67   -43    37   0.21200  1.0 1.0
   66    67   -43    37   0.16900 -1.0 2.0
   66    67   -43    37  -1.15100  1.0 3.0
   66    67    43    45  -0.03700  1.0 1.0
   66    67    43    45   0.37200 -1.0 2.0
   66    67    43    45  -0.47300  1.0 3.0
   66    67    43    47  -0.03700  1.0 1.0
   66    67    43    47   0.37200 -1.0 2.0
   66    67    43    47  -0.47300  1.0 3.0
   67    43    45    46   0.15000  1.0 3.0
   67    43    45    54   0.07850  1.0 1.0
   67    43    45    54  -0.03950 -1.0 2.0
   67    43    45    54   0.67350  1.0 3.0
   67    43    45    59   0.07850  1.0 1.0
   67    43    45    59  -0.03950 -1.0 2.0
   67    43    45    59   0.67350  1.0 3.0
   67    43    47    48   0.15000  1.0 3.0
   67    43    47    49   0.15000  1.0 3.0
   67    43    47    50   0.15000  1.0 3.0
   68    67    43    37   0.15000  1.0 3.0
   68    67    43    45   0.15000  1.0 3.0
   68    67    43    47   0.15000  1.0 3.0
   69    67    43    37   0.15000  1.0 3.0
   69    67    43    45   0.15000  1.0 3.0
   69    67    43    47   0.15000  1.0 3.0
   43    37   -42    44   7.00000 -1.0 2.0
   43    37    42    51   7.00000 -1.0 2.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   0.15000  1.0 3.0
   43    45   -54    59   0.07850  1.0 1.0
   43    45   -54    59  -0.03950 -1.0 2.0
   43    45   -54    59   0.67350  1.0 3.0
   43    45   -59    33   0.56750  1.0 1.0
   43    45   -59    33  -0.07550 -1.0 2.0
   43    45   -59    33   0.20000  1.0 3.0
   43    45   -59    54   0.07850  1.0 1.0
   43    45   -59    54  -0.03950 -1.0 2.0
   43    45   -59    54   0.67350  1.0 3.0
   43    45    59    60   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  1.0 3.0
   45    54   -59    33   0.07850  1.0 1.0
   45    54   -59    33  -0.03950 -1.0 2.0
   45    54   -59    33   0.67350  1.0 3.0
   45    54   -59    60   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   46    45   -54    59   0.15000  1.0 3.0
   46    45    59    33   0.15000  1.0 3.0
   46    45   -59    54   0.15000  1.0 3.0
   46    45    59    60   0.15000  1.0 3.0
   54    45   -59    33   0.07850  1.0 1.0
   54    45   -59    33  -0.03950 -1.0 2.0
   54    45   -59    33   0.67350  1.0 3.0
   54    45   -59    60   0.15000  1.0 3.0
   55    54    59    33   0.15000  1.0 3.0
   55    54   -59    45   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   56    54    59    33   0.15000  1.0 3.0
   56    54   -59    45   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   59    33    37    42   0.09850  1.0 1.0
   59    33    37    42   0.15250 -1.0 2.0
   59    33    37    42  -0.50650  1.0 3.0
   59    33   -37    43   0.46850  1.0 1.0
   59    33   -37    43   0.08550 -1.0 2.0
   59    33   -37    43   0.09800  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    41   0.15000  1.0 3.0
   59    45   -54    55   0.15000  1.0 3.0
   59    45   -54    56   0.15000  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    54   0.07850  1.0 1.0
   47    43    45    54  -0.03950 -1.0 2.0
   47    43    45    54   0.67350  1.0 3.0
   47    43    45    59   0.07850  1.0 1.0
   47    43    45    59  -0.03950 -1.0 2.0
   47    43    45    59   0.67350  1.0 3.0
   61    53    57    58   3.62500 -1.0 2.0
   61    53    57    65   3.62500 -1.0 2.0
   51    42    44    53  -0.01750  1.0 1.0
   51    42    44    53  -0.32000 -1.0 2.0
   51    42    44    53   0.00600  1.0 3.0
   51    42    44    66  -0.01750  1.0 1.0
   51    42    44    66  -0.32000 -1.0 2.0
   51    42    44    66   0.00600  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    59    45   0.07850  1.0 1.0
   38    33    59    45  -0.03950 -1.0 2.0
   38    33    59    45   0.67350  1.0 3.0
   38    33    59    54   0.07850  1.0 1.0
   38    33    59    54  -0.03950 -1.0 2.0
   38    33    59    54   0.67350  1.0 3.0
   38    33    59    60   0.15000  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
   33    43    37    42   1.10000 -1.0 2.0
   44    51    42    37   1.10000 -1.0 2.0
   53    66    44    42   4.00000 -1.0 2.0
   57    61    53    44   4.00000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   65    67    66    44   4.00000 -1.0 2.0
END
