* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    137    226     409
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091    98.94815   -51.84298
    3     1 S   H    _H1_     3     1.02093    79.64774    55.72528
    4     1 S   H    _H2_     4     1.02152    36.32121  -161.31710
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C13    36     1.85285    97.19277  -158.13857
   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   _C18    37     1.49956   106.17850   -59.99718
   38    37 S   HC   _H14    38     1.08723   118.16656    76.96385
   39    33 S   CT   _C12    48     1.53775   111.56609    67.47672
   40    39 S   HC   _H11    49     1.09603   113.19164   -39.05699
   41    39 S   HC   _H12    50     1.10014   110.00123  -158.25007
   42    37 S   CM   _C17    39     1.34337   122.35091   -99.64930
   43    42 S   CO4  _C16    40     1.49141   119.84459    -2.86840
   44    43 S   O    _O33    41     1.22585   121.46101   168.68443
   45    42 S   OH   _O34    75     1.37657   121.42043   176.34687
   46    45 S   HO   _H15    76     0.96429   109.99694   179.95154
   47    43 S   CM   _C15    42     1.48710   117.71037   -15.06059
   48    47 S   HC   _H13    43     1.08345   117.30642  -160.40121
   49    33 S   CM   _C14    44     1.50955   109.72090   178.03606
   50    49 S   NE   _N5_    45     1.40801   109.59202   -91.40897
   51    50 S   CT1  _C11    46     1.47468   110.72903   -10.41405
   52    51 S   HC   _H4_    47     1.09505   108.30657  -128.04467
   53    50 S   CM   _C10    54     1.54861   127.40498  -178.84242
   54    53 S   HC   _H10    55     1.09702   122.67096   -30.04412
   55    51 S   CO3  _C19    51     1.51200   109.21632   113.72675
   56    55 S   O2Z  _O36    52     1.26158   115.28503    28.04799
   57    55 S   O2Z  _O35    53     1.26329   114.79661  -152.07146
   58    53 S   CM   _C9_    56     1.46234   116.51303   149.95397
   59    58 S   HC   _H9_    57     1.08301   120.11131   -29.96912
   60    58 S   CM   _C8_    58     1.34080   118.27528   149.99062
   61    60 S   CM   _C7_    59     1.45561   121.64929     0.03956
   62    61 S   HC   _H8_    60     1.08659   118.33066   -11.12429
   63    61 S   CM   _C6_    61     1.34147   120.11562   168.17445
   64    63 S   NE   _N4_    62     1.37527   123.37058    -2.27055
   65    64 S   H    _H7_    63     1.01410   117.42373  -176.77997
   66    63 S   CMA  _C20    72     1.51404   116.72875   179.14705
   67    66 S   OM   _O38    73     1.26297   115.06119   -59.99342
   68    66 S   OM   _O37    74     1.26298   115.07147   119.93633
   69    64 S   CT1  _C5_    64     1.44760   122.85582    -6.00616
   70    69 S   HC   _H3_    65     1.09485   110.10961   149.86099
   71    60 S   CT   _C4_    66     1.51925   121.95940  -179.12397
   72    71 S   HC   _H5_    67     1.09763   110.64648   -22.49668
   73    71 S   HC   _H6_    68     1.09891   107.10310    93.39611
   74    69 S   CO3  _C21    69     1.51427   105.95032   -93.39831
   75    74 S   O2Z  _O40    70     1.26213   115.28658    61.92733
   76    74 S   O2Z  _O39    71     1.26239   114.81073  -118.04435
  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
  16   2   1   1  13   5  12   6   5   7   7   4   2   1   5   2
   7  10   7   4   7   3   2   1   1   9   3  11  11   4   9  12
   5   3   1   1   7   6   5   2   1   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    49    50    51    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    49    50    51    52    39    40    41    55    53    45  
   35    36  
   36  
    0  
   38    42    43    44    47    49    50    51    39    40    41    45    46  
   42    43    49    39    45  
   40    41    55    56    57    53    42    47    49    50    51    52  
   41    55    49    50    51    52  
   55    49    50    51    52  
   43    44    47    48    49    45    46  
   44    47    48    49    50    45    46  
   47    48    49    45  
   46    47  
    0  
   48    49    50    51    53  
   49    50  
   50    51    52    55    53    54    58  
   51    52    55    56    57    53    54    58    59    60  
   52    55    56    57    53    54    58  
   55    56    57    53  
   54    58    59    60    61    71    55  
   58    59    60  
   56    57  
   57  
    0  
   59    60    61    62    63    69    71    72    73  
   60    61    71  
   61    62    63    64    69    70    71    72    73    74    66  
   62    63    64    65    69    71    72    73    66    67    68  
   63    64    71    66  
   64    65    69    70    71    74    66    67    68  
   65    69    70    71    72    73    74    75    76    66    67    68  
   69    70    71    74    66  
   67    68    69  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   76  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.2500   0.1700  -0.158500   1.9050   1.6860   0.051222218  -2.220205820
   51   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   68   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    49   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   320.000  1.462
   42    45   510.000  1.338
   43    44   570.000  1.229
   43    47   320.000  1.462
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   425.000  1.378
   50    51   382.000  1.448
   50    53   425.000  1.378
   51    52   340.000  1.090
   51    39   268.000  1.529
   51    55   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   55    56   656.000  1.250
   55    57   656.000  1.250
   53    54   340.000  1.080
   53    58   549.000  1.340
   58    59   340.000  1.080
   58    60   380.000  1.444
   60    61   549.000  1.340
   60    71   317.000  1.510
   61    62   340.000  1.080
   61    63   380.000  1.444
   63    64   425.000  1.378
   63    66   465.000  1.376
   64    65   434.000  1.010
   64    69   382.000  1.448
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   74    75   656.000  1.250
   74    76   656.000  1.250
   66    67   745.000  1.250
   66    68   745.000  1.250
   45    46   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    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    49    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    49    47    70.00000  124.00000
   33    49    50    75.00000  116.24600
   33    39    51    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  118.96000
   37    42    45    80.00000  121.38400
   42    37    38    35.00000  120.00000
   42    43    44    80.00000  123.72100
   42    43    47    65.00000  118.65900
   42    45    46    70.00000  107.45700
   43    47    48    40.00000  117.72500
   43    47    49    65.00000  118.96000
   47    43    44    80.00000  123.72100
   47    49    50    70.00000  124.03900
   49    33    37    70.00000  110.12100
   49    47    48    35.00000  120.00000
   49    50    51    50.00000  121.00000
   49    50    53    75.00000  118.45600
   50    51    52    35.00000  109.50000
   50    51    39    80.00000  111.61500
   50    51    55    63.00000  110.10000
   50    53    54    50.00000  112.30800
   50    53    58    70.00000  124.03900
   51    39    40    37.50000  110.70000
   51    39    41    37.50000  110.70000
   51    55    56    70.00000  117.00000
   51    55    57    70.00000  117.00000
   39    33    37    70.00000  112.02700
   39    33    49    70.00000  112.02700
   39    51    52    37.50000  110.70000
   41    39    40    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    39    63.00000  111.10000
   57    55    56    80.00000  126.00000
   53    50    51    50.00000  121.00000
   53    58    59    35.00000  120.00000
   53    58    60    70.00000  123.01800
   58    53    54    35.00000  120.00000
   58    60    61    70.00000  123.01800
   58    60    71    70.00000  124.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    71    69    70.00000  112.02700
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   61    63    64    70.00000  124.03900
   61    63    66    70.00000  117.34000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  114.50000
   63    64    69    50.00000  121.00000
   63    66    67    65.00000  137.10300
   63    66    68    65.00000  137.10300
   64    69    70    35.00000  109.50000
   64    69    71    80.00000  111.61500
   64    69    74    63.00000  110.10000
   69    64    65    35.00000  112.50000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    74    75    70.00000  117.00000
   69    74    76    70.00000  117.00000
   71    60    61    70.00000  124.00000
   71    69    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    63.00000  111.10000
   76    74    75    80.00000  126.00000
   66    63    64    70.00000  124.03900
   68    66    67    65.00000  121.00000
   45    42    43    85.00000  116.28000
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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    49    47   0.42700  1.0 1.0
   29    33    49    47  -0.70350 -1.0 2.0
   29    33    49    47  -0.43150  1.0 3.0
   29    33    49    50   0.09700  1.0 1.0
   29    33    49    50   0.15600 -1.0 2.0
   29    33    49    50  -0.50800  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    45   7.00000 -1.0 2.0
   33    49   -50    51   1.00000 -1.0 2.0
   33    49    50    53   1.00000 -1.0 2.0
   37    33    49    47  -0.28300  1.0 1.0
   37    33    49    47   0.26700 -1.0 2.0
   37    33    49    47  -0.63300  1.0 3.0
   37    33    49    50  -1.35150  1.0 1.0
   37    33    49    50   0.13900 -1.0 2.0
   37    33    49    50   0.25250  1.0 3.0
   37    33    39    51   0.34400  1.0 1.0
   37    33    39    51   0.09450 -1.0 2.0
   37    33    39    51   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    43    44   1.00000 -1.0 2.0
   37    42   -43    47  -1.18350  1.0 1.0
   37    42   -43    47   1.45950 -1.0 2.0
   37    42    45    46  -0.66100  1.0 1.0
   37    42    45    46   1.20850 -1.0 2.0
   37    42    45    46  -0.36000  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    45   7.00000 -1.0 2.0
   42    43    47    48   0.93700 -1.0 2.0
   42    43    47    49  -1.18350  1.0 1.0
   42    43    47    49   1.45950 -1.0 2.0
   43    42    45    46   2.00000 -1.0 2.0
   43    47   -49    33   7.00000 -1.0 2.0
   43    47    49    50   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   1.00000 -1.0 2.0
   47    49    50    51  -0.54700  1.0 1.0
   47    49    50    51   1.23000 -1.0 2.0
   47    49    50    53  -0.54500  1.0 1.0
   47    49    50    53   1.14150 -1.0 2.0
   48    47    49    33   7.00000 -1.0 2.0
   48    47    49    50   7.00000 -1.0 2.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    42  -0.28300  1.0 1.0
   49    33   -37    42   0.26700 -1.0 2.0
   49    33   -37    42  -0.63300  1.0 3.0
   49    33   -39    51   0.34400  1.0 1.0
   49    33   -39    51   0.09450 -1.0 2.0
   49    33   -39    51   0.11100  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    50    51    52   0.00000  1.0 1.0
   49    50   -51    39   0.25450  1.0 1.0
   49    50   -51    39  -0.61700 -1.0 2.0
   49    50   -51    39  -0.23550  1.0 3.0
   49    50    51    55  -0.12500  1.0 1.0
   49    50    51    55  -0.12500 -1.0 2.0
   49    50    51    55   0.25000  1.0 3.0
   49    50    53    54   0.00000  1.0 1.0
   49    50    53    58  -0.54500  1.0 1.0
   49    50    53    58   1.14150 -1.0 2.0
   50    51   -39    33   1.26750  1.0 1.0
   50    51   -39    33  -0.00950 -1.0 2.0
   50    51   -39    33   0.30600  1.0 3.0
   50    51    39    40   0.22950  1.0 3.0
   50    51    39    41   0.22950  1.0 3.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    58  -0.54700  1.0 1.0
   51    50    53    58   1.23000 -1.0 2.0
   52    51    39    33   0.15000  1.0 3.0
   52    51    39    40   0.15000  1.0 3.0
   52    51    39    41   0.15000  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    49    47   0.09850  1.0 1.0
   39    33    49    47   0.15250 -1.0 2.0
   39    33    49    47  -0.50650  1.0 3.0
   39    33   -49    50  -0.93550  1.0 1.0
   39    33   -49    50   0.38900 -1.0 2.0
   39    33   -49    50   0.16950  1.0 3.0
   39    51    55    56   0.00000  1.0 1.0
   39    51    55    57   0.00000  1.0 1.0
   55    51    39    33  -0.84850  1.0 1.0
   55    51    39    33  -0.22800 -1.0 2.0
   55    51    39    33   0.29250  1.0 3.0
   55    51    39    40  -0.03800  1.0 3.0
   55    51    39    41  -0.03800  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    39   0.25450  1.0 1.0
   53    50    51    39  -0.61700 -1.0 2.0
   53    50    51    39  -0.23550  1.0 3.0
   53    50    51    55  -0.12500  1.0 1.0
   53    50    51    55  -0.12500 -1.0 2.0
   53    50    51    55   0.25000  1.0 3.0
   53    58    60    61   0.28850  1.0 1.0
   53    58    60    61   2.61350 -1.0 2.0
   53    58    60    61   0.78400  1.0 3.0
   53    58    60    71  -0.18600  1.0 3.0
   54    53    58    59   7.00000 -1.0 2.0
   54    53    58    60   7.00000 -1.0 2.0
   58    60    61    62   7.00000 -1.0 2.0
   58    60    61    63   7.00000 -1.0 2.0
   58    60    71    69   0.98200  1.0 1.0
   58    60    71    69  -0.11900 -1.0 2.0
   58    60    71    69   0.24250  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   59    58    60    61  -0.18600  1.0 3.0
   59    58    60    71   0.00000  1.0 1.0
   60    61    63    64  -0.18600  1.0 3.0
   60    61    63    66   0.28850  1.0 1.0
   60    61    63    66   2.61350 -1.0 2.0
   60    61    63    66   0.78400  1.0 3.0
   61    60    71    69   0.09850  1.0 1.0
   61    60    71    69   0.15250 -1.0 2.0
   61    60    71    69  -0.50650  1.0 3.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    73   0.00000  1.0 1.0
   61    63    64    65   1.00000 -1.0 2.0
   61    63   -64    69  -0.54700  1.0 1.0
   61    63   -64    69   1.23000 -1.0 2.0
   61    63    66    67   7.00000 -1.0 2.0
   61    63    66    68   7.00000 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66  -0.18600  1.0 3.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.25450  1.0 1.0
   63    64    69    71  -0.61700 -1.0 2.0
   63    64    69    71  -0.23550  1.0 3.0
   63    64    69    74  -0.12500  1.0 1.0
   63    64    69    74  -0.12500 -1.0 2.0
   63    64    69    74   0.25000  1.0 3.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    68   7.00000 -1.0 2.0
   64    69   -71    60   0.21700  1.0 1.0
   64    69   -71    60   0.68550 -1.0 2.0
   64    69   -71    60  -0.27950  1.0 3.0
   64    69    71    72   0.22950  1.0 3.0
   64    69    71    73   0.22950  1.0 3.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   65    64    69    74   0.00000  1.0 1.0
   70    69    71    60   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    76   0.00000  1.0 1.0
   71    60    61    62   7.00000 -1.0 2.0
   71    60   -61    63   7.00000 -1.0 2.0
   71    69    74    75   0.00000  1.0 1.0
   71    69    74    76   0.00000  1.0 1.0
   74    69    71    60  -0.98800  1.0 1.0
   74    69    71    60   0.48800 -1.0 2.0
   74    69    71    60   0.76800  1.0 3.0
   74    69    71    72  -0.03800  1.0 3.0
   74    69    71    73  -0.03800  1.0 3.0
   66    63    64    65   1.00000 -1.0 2.0
   66    63    64    69  -0.54700  1.0 1.0
   66    63    64    69   1.23000 -1.0 2.0
   45    42    43    44  -0.11900  1.0 1.0
   45    42    43    44   0.76850 -1.0 2.0
   45    42    43    44   0.14100  1.0 3.0
   45    42    43    47   1.50000 -1.0 2.0
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    38    37    42   1.10000 -1.0 2.0
   43    45    42    37   1.10000 -1.0 2.0
   42    47    43    44  10.50000 -1.0 2.0
   43    48    47    49   1.10000 -1.0 2.0
   33    50    49    47   1.10000 -1.0 2.0
   51    49    50    53   1.00000 -1.0 2.0
   56    51    55    57  10.50000 -1.0 2.0
   50    54    53    58  15.00000 -1.0 2.0
   60    59    58    53  15.00000 -1.0 2.0
   58    71    60    61   1.10000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   61    64    63    66   1.10000 -1.0 2.0
   65    63    64    69   1.00000 -1.0 2.0
   75    69    74    76  10.50000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
END
