* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    132    202     381
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02073    50.59608  -124.64299
    3     1 S   H    _H1_     3     1.02135   106.24056   -23.59003
    4     1 S   H    _H2_     4     1.02035    61.64255    79.26163
    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     1.08612   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   _C17    36     1.84923    97.38373   161.83619
   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   _C16    37     1.51724   106.70831    60.01808
   38    37 S   HC   _H9_    38     1.08806   118.86879   -79.09017
   39    33 S   CO4  _C18    68     1.50962   104.91794   -54.15891
   40    39 S   O    _O35    69     1.22268   124.06079   113.48293
   41    37 S   CM   _C15    39     1.34405   121.60223    99.87553
   42    39 S   OS   _O36    70     1.36364   109.52325   -66.58401
   43    41 S   CM   _C14    40     1.44392   121.57397    -1.40778
   44    43 S   HC   _H8_    41     1.08444   118.46545  -165.39005
   45    41 S   OH   _O37    66     1.37554   123.51742  -178.68047
   46    45 S   HO   _H13    67     0.96459   110.11969    -2.52298
   47    42 S   CT   _C19    71     1.43044   115.44881   179.96574
   48    47 S   HC   _H10    72     1.09316   109.53916  -179.95154
   49    47 S   HC   _H11    73     1.09351   109.47569    59.25912
   50    47 S   HC   _H12    74     1.09226   109.05384   -60.31937
   51    43 S   CM   _C13    42     1.34392   120.77434    14.52949
   52    33 S   CT   _C11    43     1.56715   112.41403  -176.81236
   53    51 S   OS   _O38    61     1.38069   122.39609   179.85065
   54    52 S   CO4  _C12    44     1.52970   112.74864   155.07174
   55    54 S   O    _O34    45     1.21586   128.19237    60.76843
   56    53 S   CT   _C20    62     1.40568   112.59709    59.96401
   57    56 S   HC   _H14    63     1.09351   109.54024  -180.00000
   58    56 S   HC   _H15    64     1.09374   109.53439    59.26389
   59    56 S   HC   _H16    65     1.09227   109.07206   -60.38169
   60    54 S   CA   _C8_    46     1.43918   107.40980  -119.60046
   61    60 S   CA   _C9_    47     1.37753   105.89472    -0.02798
   62    61 S   CA   _C10    48     1.38112   120.52469   179.83687
   63    62 S   HA   _H7_    49     1.08495   120.88786   179.85598
   64    52 S   OS   _O33    60     1.45798   110.56977    38.80643
   65    62 S   CA   _C5_    50     1.39888   117.95567    -0.06853
   66    65 S   CA   _C6_    51     1.40765   120.78761     0.00000
   67    66 S   HA   _H6_    52     1.08811   119.75300   180.00000
   68    65 S   CT   _C4_    56     1.49212   119.64034   179.92598
   69    68 S   HC   _H3_    57     1.09716   110.30194    89.98369
   70    68 S   HC   _H4_    58     1.09761   111.23003  -149.53328
   71    68 S   HC   _H5_    59     1.09727   111.24000   -30.50599
   72    60 S   CA   _C7_    53     1.37942   130.90672   179.66662
   73    72 S   OH   _O39    54     1.35408   122.32273     0.33338
   74    73 S   HO   _H17    55     0.97223   110.60790    -0.11535
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  13   5  11   3   7   5   9   4   2   1   3   2
   1   1  11   9   6   8   4   3   2   1   1  10   8  10   4   2
   8   8   3   4   2   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    52    54    64    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    43    51    52    54    55    60    61    64    53    45    39    40    42    47  
   35    36  
   36  
    0  
   38    41    43    44    51    52    54    64    45    46    39    40    42  
   41    43    52    45    39  
   40    42    47    48    49    50    41    51    52    54    64  
   42    47    52  
   43    44    51    52    53    45    46  
   47    48    49    50    52  
   44    51    52    54    64    53    56    45    46  
   51    52    53    45  
   46    51  
    0  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    60    61    64    53    56    57    58    59  
   54    55    60    61    62    72    64    53    56  
   56    57    58    59    54    64  
   55    60    61    62    66    72    73    64  
   60    61    72    64  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    65    66    67    72    73    74    64  
   62    63    65    66    72    73    68    64  
   63    65    66    67    72    68    69    70    71    64  
   65    66    68    64  
   65    72  
   66    67    72    73    68    69    70    71  
   67    72    73    74    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   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   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    52   268.000  1.529
   33    39   317.000  1.522
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    43   380.000  1.444
   41    45   510.000  1.338
   43    44   340.000  1.080
   43    51   549.000  1.340
   51    52   317.000  1.510
   51    53   440.000  1.360
   52    54   317.000  1.522
   52    64   320.000  1.410
   54    55   570.000  1.229
   54    60   310.000  1.470
   60    61   469.000  1.400
   60    72   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   45    46   553.000  0.945
   39    40   570.000  1.229
   39    42   214.000  1.327
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    52    75.00000  111.63000
   29    33    39    75.00000  110.18000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    52    51    70.00000  112.02700
   33    52    54    63.00000  111.10000
   33    52    64    50.00000  109.50000
   33    39    40    80.00000  120.40000
   33    39    42    81.00000  111.40000
   37    41    43    70.00000  123.01800
   37    41    45    80.00000  121.38400
   41    37    38    35.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    51    70.00000  123.01800
   41    45    46    70.00000  107.45700
   43    51    52    70.00000  124.00000
   43    51    53    80.00000  120.01400
   51    43    44    35.00000  120.00000
   51    52    54    70.00000  109.06800
   51    52    64    85.00000  110.90400
   51    53    56    90.00000  111.18400
   52    33    37    70.00000  112.02700
   52    54    55    80.00000  120.40000
   52    54    60    65.00000  115.47100
   52    64    61    75.00000  111.00000
   54    60    61    60.00000  119.52600
   54    60    72    60.00000  119.52600
   60    54    55    75.00000  123.78400
   60    61    62    63.00000  120.00000
   60    61    64    70.00000  120.00000
   60    72    66    63.00000  120.00000
   60    72    73    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   62    65    66    63.00000  120.00000
   62    65    68    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    70.00000  120.00000
   72    60    61    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    73    74    35.00000  113.00000
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    52    54    90.00000  108.74100
   64    61    62    70.00000  120.00000
   53    51    52    85.00000  112.85300
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   45    41    43    80.00000  121.38400
   39    33    37    70.00000  109.06800
   39    33    52    63.00000  111.10000
   39    42    47    83.00000  116.90000
   42    39    40    83.00000  123.40000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    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    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    51   0.56750  1.0 1.0
   29    33    52    51  -0.07550 -1.0 2.0
   29    33    52    51   0.20000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   29    33    52    64   0.56750  1.0 1.0
   29    33    52    64  -0.07550 -1.0 2.0
   29    33    52    64   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    42   0.40000  1.0 3.0
   33    37    41    43   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    52    54    55   0.30150 -1.0 2.0
   33    52    54    60   0.05850 -1.0 2.0
   33    52    54    60   0.17250  1.0 3.0
   33    52    64    61  -0.32850  1.0 1.0
   33    52    64    61  -0.35800 -1.0 2.0
   33    52    64    61   0.33950  1.0 3.0
   33    39    42    47   1.63150  1.0 1.0
   33    39    42    47   2.92000 -1.0 2.0
   37    33    52    51   0.31000  1.0 1.0
   37    33    52    51   0.14700 -1.0 2.0
   37    33    52    51   0.07550  1.0 3.0
   37    33    52    54  -0.98800  1.0 1.0
   37    33    52    54   0.48800 -1.0 2.0
   37    33    52    54   0.76800  1.0 3.0
   37    33    52    64   0.61850  1.0 1.0
   37    33    52    64  -0.22750 -1.0 2.0
   37    33    52    64   0.15300  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    42   0.40000  1.0 3.0
   37    41    43    44  -0.18600  1.0 3.0
   37    41   -43    51   0.28850  1.0 1.0
   37    41   -43    51   2.61350 -1.0 2.0
   37    41   -43    51   0.78400  1.0 3.0
   37    41    45    46  -0.66100  1.0 1.0
   37    41    45    46   1.20850 -1.0 2.0
   37    41    45    46  -0.36000  1.0 3.0
   38    37    41    43   7.00000 -1.0 2.0
   38    37    41    45   7.00000 -1.0 2.0
   41    43    51    52   7.00000 -1.0 2.0
   41    43    51    53   7.00000 -1.0 2.0
   43    41    45    46  -0.66100  1.0 1.0
   43    41    45    46   1.20850 -1.0 2.0
   43    41    45    46  -0.36000  1.0 3.0
   43    51   -52    33   0.09850  1.0 1.0
   43    51   -52    33   0.15250 -1.0 2.0
   43    51   -52    33  -0.50650  1.0 3.0
   43    51    52    54  -0.51250  1.0 1.0
   43    51    52    54  -0.88800 -1.0 2.0
   43    51    52    54   0.08850  1.0 3.0
   43    51    52    64   0.39000  1.0 1.0
   43    51    52    64  -0.05800 -1.0 2.0
   43    51    52    64  -0.55150  1.0 3.0
   43    51    53    56  -2.26850  1.0 1.0
   43    51    53    56   3.39050 -1.0 2.0
   44    43    51    52   7.00000 -1.0 2.0
   44    43    51    53   7.00000 -1.0 2.0
   51    52    54    55   0.30150 -1.0 2.0
   51    52    54    60   0.65300  1.0 1.0
   51    52    54    60  -0.03850 -1.0 2.0
   51    52    54    60   0.33900  1.0 3.0
   51    52    64    61  -0.25600  1.0 1.0
   51    52    64    61  -0.40050 -1.0 2.0
   51    52    64    61   0.34700  1.0 3.0
   51    53    56    57   0.08050  1.0 3.0
   51    53    56    58   0.08050  1.0 3.0
   51    53    56    59   0.08050  1.0 3.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    41   0.09850  1.0 1.0
   52    33   -37    41   0.15250 -1.0 2.0
   52    33   -37    41  -0.50650  1.0 3.0
   52    33    39    40   0.30150 -1.0 2.0
   52    33    39    42   0.36750  1.0 3.0
   52    51    53    56   2.00000 -1.0 2.0
   52    54   -60    61   2.26350  1.0 1.0
   52    54   -60    61   0.76750 -1.0 2.0
   52    54   -60    61   0.22500  1.0 3.0
   52    54    60    72   2.26350  1.0 1.0
   52    54    60    72   0.76750 -1.0 2.0
   52    54    60    72   0.22500  1.0 3.0
   54    52   -64    61  -0.25600  1.0 1.0
   54    52   -64    61  -0.40050 -1.0 2.0
   54    52   -64    61   0.34700  1.0 3.0
   54    60    61    62   3.62500 -1.0 2.0
   54    60   -61    64   3.62500 -1.0 2.0
   54    60    72    66   3.62500 -1.0 2.0
   54    60    72    73   3.62500 -1.0 2.0
   55    54    60    61   1.05000 -1.0 2.0
   55    54    60    72   1.05000 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61    62    65   3.62500 -1.0 2.0
   60    61   -64    52   1.63200 -1.0 2.0
   60    72    73    74   0.84100 -1.0 2.0
   61    60    72    66   3.62500 -1.0 2.0
   61    60    72    73   3.62500 -1.0 2.0
   61    62   -65    66   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   62    61    64    52   1.63200 -1.0 2.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65    66    72   3.62500 -1.0 2.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    66   -72    60   3.62500 -1.0 2.0
   65    66    72    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    73    74   0.84100 -1.0 2.0
   67    66    72    60   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   72    60   -61    62   3.62500 -1.0 2.0
   72    60    61    64   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   64    52    54    55   0.30150 -1.0 2.0
   64    52   -54    60   0.65300  1.0 1.0
   64    52   -54    60  -0.03850 -1.0 2.0
   64    52   -54    60   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   53    51    52    33   0.09700  1.0 1.0
   53    51    52    33   0.15600 -1.0 2.0
   53    51    52    33  -0.50800  1.0 3.0
   53    51    52    54   0.09700  1.0 1.0
   53    51    52    54   0.15600 -1.0 2.0
   53    51    52    54  -0.50800  1.0 3.0
   53    51    52    64   0.09700  1.0 1.0
   53    51    52    64   0.15600 -1.0 2.0
   53    51    52    64  -0.50800  1.0 3.0
   45    41    43    44   0.00000  1.0 1.0
   45    41    43    51   0.50950  1.0 1.0
   45    41    43    51   0.56650 -1.0 2.0
   45    41    43    51   0.34050  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.51250  1.0 1.0
   39    33    37    41  -0.88800 -1.0 2.0
   39    33    37    41   0.08850  1.0 3.0
   39    33    52    51  -0.98800  1.0 1.0
   39    33    52    51   0.48800 -1.0 2.0
   39    33    52    51   0.76800  1.0 3.0
   39    33    52    54   0.11950  1.0 1.0
   39    33    52    54   0.20300 -1.0 2.0
   39    33    52    54  -0.70800  1.0 3.0
   39    33    52    64  -0.09450  1.0 1.0
   39    33    52    64  -1.12950 -1.0 2.0
   39    33    52    64   0.54000  1.0 3.0
   39    42    47    48   0.08050  1.0 3.0
   39    42    47    49   0.08050  1.0 3.0
   39    42    47    50   0.08050  1.0 3.0
   40    39    42    47   3.00000 -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    41   1.10000 -1.0 2.0
   43    45    41    37   1.10000 -1.0 2.0
   41    44    43    51   1.10000 -1.0 2.0
   52    53    51    43   1.10000 -1.0 2.0
   52    60    54    55  10.50000 -1.0 2.0
   61    72    60    54   4.00000 -1.0 2.0
   62    64    61    60   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   66    68    65    62   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    73    72    60   4.00000 -1.0 2.0
   33    42    39    40  10.50000 -1.0 2.0
END
