* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    140    215     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069   103.12914   -39.71608
    3     1 S   H    _H1_     3     1.02097    71.80875    65.93351
    4     1 S   H    _H2_     4     1.02102    41.75664  -143.07915
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09691
   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   _C20    36     1.82851    97.93098   161.83807
   34    33 S   HC   _H3_    37     1.09716   107.03484    36.95667
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C21    38     1.51387   107.60033   -79.98605
   39    38 S   O    _O37    39     1.22823   121.54524    87.94971
   40    38 S   CM   _C14    40     1.48766   117.95974   -89.08085
   41    40 S   CM   _C15    41     1.40053   120.97881    -7.14444
   42    41 S   CM   _C16    42     1.39875   120.25763   177.26441
   43    41 S   CO4  _C18    69     1.48160   120.44126    -3.68461
   44    43 S   O    _O36    70     1.22535   120.95878   166.72283
   45    42 S   CM   _C17    43     1.39617   119.91321     0.59610
   46    42 S   OH   _O35    67     1.36528   121.80742   179.46332
   47    46 S   HO   _H9_    68     0.96912   110.05102     0.00000
   48    33 S   CT   _C19    71     1.52348   113.60721   156.83061
   49    48 S   HC   _H10    72     1.09824   109.38520  -174.43415
   50    45 S   CM   _C12    44     1.39477   119.78378    -0.04846
   51    45 S   OS   _O34    57     1.37308   116.41251   179.81869
   52    48 S   OS   _O38    73     1.41542   110.68746   -56.66061
   53    40 S   CO4  _C13    45     1.40028   119.17777   170.92260
   54    53 S   O    _O39    46     1.28599   120.44367     1.75959
   55    50 S   CMA  _C11    47     1.47072   118.67715  -179.97202
   56    55 S   OM   _O33    48     1.22258   121.75397  -179.94405
   57    52 S   CT   _C22    74     1.42245   111.75183   -75.24019
   58    57 S   HC   _H11    75     1.09287   109.54755   179.98022
   59    57 S   HC   _H12    76     1.09279   109.53863    59.25091
   60    57 S   HC   _H13    77     1.09230   109.05771   -60.40394
   61    55 S   CA   _C10    49     1.47062   116.66080     0.02798
   62    61 S   CA   _C5_    50     1.39725   120.78745   179.91844
   63    62 S   CA   _C6_    51     1.39568   119.55191   179.98022
   64    63 S   HA   _H7_    52     1.08711   120.31967   179.94405
   65    62 S   CT   _C4_    63     1.49516   124.19420    -0.10279
   66    65 S   HC   _H4_    64     1.09512   110.23383   -89.91109
   67    65 S   HC   _H5_    65     1.09660   111.06356    30.57055
   68    65 S   HC   _H6_    66     1.09660   111.11905   149.56443
   69    63 S   CA   _C7_    53     1.39521   120.12261     0.00000
   70    69 S   CA   _C8_    54     1.39551   120.09683    -0.06561
   71    70 S   HA   _H8_    55     1.08755   119.87394  -179.93744
   72    69 S   OS   _O40    58     1.36078   119.98340  -179.95154
   73    61 S   CA   _C9_    56     1.39443   118.68423    -0.09065
   74    72 S   CT   _C23    59     1.42691   117.08182   179.98022
   75    74 S   HC   _H14    60     1.09247   109.52191   179.96574
   76    74 S   HC   _H15    61     1.09229   109.52964    59.14954
   77    74 S   HC   _H16    62     1.09276   108.91714   -60.47270
  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   9   5   4   3
  12   7   2   1   1  11   4  11  13  11   8   3  11   3   1   6
   2   8   8   4   4   1   7   3   3   2   1   1  11  10  11   4
   5   2   1   1   8   4   2   5   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    48    49    52    57  
   38    39    40    43    48    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    53    54    43    48    49    52  
   40    41    53    48  
   41    42    45    50    53    54    55    46    43    44    48  
   42    45    50    53    54    51    46    47    43    44    48    49    52  
   45    50    53    55    73    51    46    47    43    44    48  
   44    48    49    52    57    45    46    53  
   48    49    52  
   50    53    54    55    56    61    70    73    51    46    47  
   47    50    51  
    0  
   49    52    57    58    59    60  
   52    57  
   53    54    55    56    61    62    73    51  
   53    55    61    62    69    70    71    73  
   57    58    59    60  
   54    55    56    61  
   55  
   56    61    62    63    70    73    65  
   61    62    73  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    69    70    71    73    65    66    67    68  
   63    64    69    70    73    72    65    66    67    68  
   64    69    70    71    73    72    74    65    66    67    68  
   69    70    72    65  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    73    72    74    75    76    77  
   71    73    72    74  
   73    72  
   74    75    76    77    73  
    0  
   75    76    77  
   76    77  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    53   320.000  1.462
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   549.000  1.340
   42    46   510.000  1.338
   45    50   380.000  1.444
   45    51   440.000  1.360
   50    53   320.000  1.462
   50    55   465.000  1.376
   53    54   570.000  1.229
   55    56   745.000  1.250
   55    61   320.000  1.460
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   469.000  1.400
   62    65   317.000  1.510
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    51   450.000  1.364
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   46    47   553.000  0.945
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    53    65.00000  115.30000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    53    50    65.00000  118.65900
   40    53    54    80.00000  123.72100
   41    42    45    70.00000  123.01800
   41    42    46    80.00000  121.38400
   41    43    44    80.00000  123.72100
   41    43    48    65.00000  118.62400
   42    45    50    70.00000  123.01800
   42    45    51    80.00000  120.01400
   42    46    47    70.00000  107.45700
   45    50    53    65.00000  118.96000
   45    50    55    70.00000  117.34000
   45    51    73    90.00000  114.30300
   50    53    54    80.00000  123.72100
   50    55    56    65.00000  137.10300
   50    55    61    60.00000  123.20500
   53    40    41    65.00000  118.96000
   55    50    53    60.00000  125.92000
   55    61    62    60.00000  120.93500
   55    61    73    60.00000  120.93500
   61    55    56    85.00000  114.86500
   61    62    63    63.00000  120.00000
   61    62    65    70.00000  120.00000
   61    73    70    63.00000  120.00000
   61    73    51    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    69    63.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    63.00000  120.00000
   63    69    72    70.00000  120.00000
   69    63    64    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    75.00000  111.00000
   70    73    51    70.00000  120.00000
   73    61    62    63.00000  120.00000
   73    70    71    35.00000  120.00000
   51    45    50    80.00000  120.01400
   72    69    70    70.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    62    63    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   46    42    45    80.00000  121.38400
   43    41    42    65.00000  118.96000
   43    48    49    35.00000  109.50000
   43    48    52    90.00000  108.74100
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    52    57    60.00000  109.50000
   52    48    49    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  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
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    53   1.50000 -1.0 2.0
   33    48    52    57   0.06250  1.0 1.0
   33    48    52    57  -0.01100 -1.0 2.0
   33    48    52    57   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43  -0.11250  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.23400  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    52  -0.09450  1.0 1.0
   38    33    48    52  -1.12950 -1.0 2.0
   38    33    48    52   0.54000  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    53    50   1.50000 -1.0 2.0
   38    40    53    54   2.50000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    53   2.50000 -1.0 2.0
   40    41    42    45   0.28850  1.0 1.0
   40    41    42    45   2.61350 -1.0 2.0
   40    41    42    45   0.78400  1.0 3.0
   40    41    42    46   0.50950  1.0 1.0
   40    41    42    46   0.56650 -1.0 2.0
   40    41    42    46   0.34050  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    48  -0.33500  1.0 1.0
   40    41    43    48   1.06600 -1.0 2.0
   40    41    43    48  -0.14000  1.0 3.0
   41    40    53    50  -1.18350  1.0 1.0
   41    40    53    50   1.45950 -1.0 2.0
   41    40    53    54   1.00000 -1.0 2.0
   41    42   -45    50   7.00000 -1.0 2.0
   41    42    45    51   7.00000 -1.0 2.0
   41    42    46    47  -0.66100  1.0 1.0
   41    42    46    47   1.20850 -1.0 2.0
   41    42    46    47  -0.36000  1.0 3.0
   41    43   -48    33   0.65300  1.0 1.0
   41    43   -48    33  -0.03850 -1.0 2.0
   41    43   -48    33   0.33900  1.0 3.0
   41    43    48    49   0.00000  1.0 1.0
   41    43    48    52   0.65300  1.0 1.0
   41    43    48    52  -0.03850 -1.0 2.0
   41    43    48    52   0.33900  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    48  -0.33500  1.0 1.0
   42    41    43    48   1.06600 -1.0 2.0
   42    41    43    48  -0.14000  1.0 3.0
   42    45    50    53  -0.18600  1.0 3.0
   42    45    50    55   0.28850  1.0 1.0
   42    45    50    55   2.61350 -1.0 2.0
   42    45    50    55   0.78400  1.0 3.0
   42    45    51    73   2.00000 -1.0 2.0
   45    42    46    47  -0.66100  1.0 1.0
   45    42    46    47   1.20850 -1.0 2.0
   45    42    46    47  -0.36000  1.0 3.0
   45    50   -53    40  -1.18350  1.0 1.0
   45    50   -53    40   1.45950 -1.0 2.0
   45    50    53    54   1.00000 -1.0 2.0
   45    50    55    56   7.00000 -1.0 2.0
   45    50    55    61   7.00000 -1.0 2.0
   50    45    51    73   2.00000 -1.0 2.0
   50    55    61    62   0.15800  1.0 1.0
   50    55    61    62   1.85350 -1.0 2.0
   50    55    61    62  -0.48700  1.0 3.0
   50    55   -61    73   0.15800  1.0 1.0
   50    55   -61    73   1.85350 -1.0 2.0
   50    55   -61    73  -0.48700  1.0 3.0
   53    40   -41    42   7.00000 -1.0 2.0
   53    40    41    43   7.00000 -1.0 2.0
   53    50    55    56   7.00000 -1.0 2.0
   53    50    55    61   7.00000 -1.0 2.0
   55    50    53    40  -1.18350  1.0 1.0
   55    50    53    40   1.45950 -1.0 2.0
   55    50    53    54   1.00000 -1.0 2.0
   55    61    62    63   3.62500 -1.0 2.0
   55    61    62    65   3.62500 -1.0 2.0
   55    61    73    70   3.62500 -1.0 2.0
   55    61    73    51   3.62500 -1.0 2.0
   56    55    61    62  -0.01750  1.0 1.0
   56    55    61    62  -0.32000 -1.0 2.0
   56    55    61    62   0.00600  1.0 3.0
   56    55    61    73  -0.01750  1.0 1.0
   56    55    61    73  -0.32000 -1.0 2.0
   56    55    61    73   0.00600  1.0 3.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    69   3.62500 -1.0 2.0
   61    62    65    66   0.00000  1.0 1.0
   61    62    65    67   0.00000  1.0 1.0
   61    62    65    68   0.00000  1.0 1.0
   61    73   -51    45   0.00000  1.0 1.0
   62    61    73    70   3.62500 -1.0 2.0
   62    61    73    51   3.62500 -1.0 2.0
   62    63   -69    70   3.62500 -1.0 2.0
   62    63    69    72   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    73   3.62500 -1.0 2.0
   63    69    72    74   1.63200 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    70   -73    61   3.62500 -1.0 2.0
   69    70    73    51   3.62500 -1.0 2.0
   69    72    74    75   0.08050  1.0 3.0
   69    72    74    76   0.08050  1.0 3.0
   69    72    74    77   0.08050  1.0 3.0
   70    69    72    74   1.63200 -1.0 2.0
   70    73    51    45   0.00000  1.0 1.0
   71    70    73    61   3.62500 -1.0 2.0
   71    70    73    51   3.62500 -1.0 2.0
   73    61   -62    63   3.62500 -1.0 2.0
   73    61    62    65   3.62500 -1.0 2.0
   51    45    50    53   1.08500 -1.0 2.0
   51    45   -50    55  -0.51250  1.0 1.0
   51    45   -50    55   1.23350 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    69   3.62500 -1.0 2.0
   46    42    45    50   7.00000 -1.0 2.0
   46    42    45    51   7.00000 -1.0 2.0
   43    41    42    45  -0.18600  1.0 3.0
   43    41    42    46   1.08500 -1.0 2.0
   43    48    52    57  -1.11000  1.0 1.0
   43    48    52    57   0.50250 -1.0 2.0
   43    48    52    57   0.47450  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    52   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    52    57    58   0.37050  1.0 3.0
   48    52    57    59   0.37050  1.0 3.0
   48    52    57    60   0.37050  1.0 3.0
   49    48    52    57   0.37050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    53    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    46    42    45   1.10000 -1.0 2.0
   50    51    45    42   1.10000 -1.0 2.0
   45    53    50    55   1.10000 -1.0 2.0
   40    50    53    54  10.50000 -1.0 2.0
   61    56    55    50   1.10000 -1.0 2.0
   62    73    61    55   4.00000 -1.0 2.0
   63    65    62    61   4.00000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   70    72    69    63   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    51    73    61   4.00000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
