* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    142    225     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02089   105.32146   -30.16373
    3     1 S   H    _H1_     3     1.02077    65.74652    73.84450
    4     1 S   H    _H2_     4     1.02099    46.85633  -131.56270
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C5_    36     1.81692    98.30328   -78.14058
   34    33 S   HC   _H3_    37     1.09746   108.56184    42.03056
   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   CM   _C6_    38     1.48628   107.94446   159.97204
   39    33 S   CT   _C4_    71     1.52264   110.32858   -78.69671
   40    39 S   HC   _H10    72     1.09539   111.66646   -60.21217
   41    39 S   HC   _H11    73     1.09593   111.85779   177.99719
   42    39 S   HC   _H12    74     1.09607   110.12003    59.28734
   43    38 S   CM   _C7_    39     1.33704   130.33109    62.33823
   44    43 S   OS   _O33    40     1.39410   115.29166  -179.71061
   45    43 S   OH   _O39    69     1.37108   125.81434     0.31528
   46    45 S   HO   _H19    70     0.96696   110.46996  -180.00000
   47    44 S   CT   _C8_    41     1.43301   104.57639    -3.19580
   48    47 S   CM   _C14    42     1.49418   110.21523   135.57790
   49    48 S   HC   _H14    43     1.08140   124.09424   -69.37979
   50    38 S   CT   _C9_    58     1.48726   121.00431  -116.34331
   51    50 S   HC   _H4_    59     1.09494   112.21405    61.01171
   52    48 S   CM   _C13    44     1.33698   111.74861   108.79631
   53    52 S   HC   _H13    45     1.08049   123.72540  -177.74597
   54    52 S   CT   _C12    46     1.50660   112.18000    -0.52339
   55    54 S   HC   _H7_    47     1.09716   107.75420  -104.76921
   56    54 S   CT   _C15    48     1.53156   115.85246   131.41955
   57    56 S   HC   _H8_    49     1.10135   107.83291   178.08225
   58    56 S   CO   _C16    50     1.53924   113.03858   -61.56105
   59    58 S   HC   _H9_    51     1.09684   110.53209    98.41794
   60    56 S   CO4  _C17    62     1.50252   110.95456    63.36003
   61    60 S   O    _O37    63     1.22430   124.02168  -123.59400
   62    58 S   OS   _O35    52     1.42861   113.01177   -20.76614
   63    58 S   OH   _O36    60     1.42770   108.57508  -144.64218
   64    63 S   HO   _H15    61     0.96947   106.36826  -179.97202
   65    60 S   OS   _O38    64     1.36348   109.56926    56.38023
   66    62 S   CO   _C10    53     1.42708   113.66681   -39.47687
   67    66 S   HC   _H5_    54     1.09542   109.28942   -59.00982
   68    65 S   CT   _C18    65     1.43111   115.44710  -179.96044
   69    68 S   HC   _H16    66     1.09301   109.51645   179.96044
   70    68 S   HC   _H17    67     1.09317   109.55324    59.21319
   71    68 S   HC   _H18    68     1.09277   108.98108   -60.40286
   72    47 S   CT   _C11    55     1.53016   112.06075  -109.84607
   73    72 S   HC   _H6_    56     1.09740   111.30855    21.34963
   74    66 S   OS   _O34    57     1.43614   110.28994  -177.97900
  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
  13   7   2   1   1  15   5   2   1   1   9  13   3   1  15  12
   5   9   3  10   4  15   7  13   8  11   5   9   2   7   2   1
   4   4   3   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    50    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    47    74    50    51    45    39    40    41    42  
   38    43    50    39    40    41    42  
   36    37  
   37  
    0  
   43    44    47    48    66    72    74    50    51    45    46    39    40    41    42  
   40    41    42    43    50  
   41    42  
   42  
    0  
   44    47    48    72    74    50    51    45    46  
   47    48    49    52    54    66    72    73    74    50    51    45    46  
   46    47    50  
    0  
   48    49    52    53    54    55    56    62    66    67    72    73    74    50    51  
   49    52    53    54    55    56    66    72    73    74    50    51  
   52    53    54    72    50  
   51    52    54    62    66    67    72    73    74  
   66    72    74  
   53    54    55    56    57    58    66    72    73    60  
   54    55    56    72  
   55    56    57    58    59    62    66    67    72    73    74    63    60    61    65  
   56    57    58    66    72    73    60  
   57    58    59    62    66    72    73    63    64    60    61    65    68  
   58    59    62    72    63    60    61    65  
   59    62    66    67    72    74    63    64    60    61    65  
   62    66    63    64    60  
   61    65    68    69    70    71    62    63    72  
   65    68  
   66    67    72    73    74    63    64  
   64    66  
    0  
   68    69    70    71  
   67    72    73    74  
   72    73    74  
   69    70    71  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    50   317.000  1.510
   43    44   440.000  1.360
   43    45   510.000  1.338
   44    47   320.000  1.410
   47    48   317.000  1.510
   47    72   268.000  1.529
   47    50   268.000  1.529
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    72   268.000  1.529
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   317.000  1.522
   58    59   340.000  1.090
   58    62   320.000  1.380
   58    63   380.000  1.407
   62    66   320.000  1.380
   66    67   340.000  1.090
   66    72   250.000  1.527
   66    74   320.000  1.380
   72    73   340.000  1.090
   74    50   320.000  1.410
   50    51   340.000  1.090
   63    64   553.000  0.945
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   45    46   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    80.00000  120.01400
   38    43    45    80.00000  121.38400
   38    50    47    70.00000  112.02700
   38    50    74    85.00000  110.90400
   38    50    51    35.00000  109.50000
   43    44    47    90.00000  111.18400
   43    45    46    70.00000  107.45700
   44    47    48    85.00000  110.90400
   44    47    72    50.00000  109.50000
   44    47    50    50.00000  109.50000
   47    48    49    35.00000  117.00000
   47    48    52    70.00000  124.00000
   47    72    54    58.35000  112.70000
   47    72    66    75.00000  109.43000
   47    72    73    37.50000  110.70000
   47    50    74    50.00000  109.50000
   47    50    51    37.50000  110.70000
   48    52    53    35.00000  120.00000
   48    52    54    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  112.02700
   52    54    72    70.00000  112.02700
   54    52    53    35.00000  117.00000
   54    56    57    37.50000  110.70000
   54    56    58    75.00000  109.43000
   54    56    60    63.00000  111.10000
   54    72    66    75.00000  109.43000
   54    72    73    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    58    59    45.00000  112.01100
   56    58    62    90.00000  108.56700
   56    58    63    90.00000  110.19100
   56    60    61    80.00000  120.40000
   56    60    65    81.00000  111.40000
   58    56    57    45.00000  108.72000
   58    62    66   100.00000  109.58800
   58    63    64    70.00000  107.92000
   62    58    59    35.00000  109.50000
   62    66    67    35.00000  109.50000
   62    66    72    90.00000  108.56700
   62    66    74    92.60000  111.55000
   66    72    73    45.00000  108.72000
   66    74    50    60.00000  109.50000
   72    47    48    70.00000  112.02700
   72    54    55    37.50000  110.70000
   72    54    56    58.35000  112.70000
   72    66    67    45.00000  112.01100
   74    66    67    35.00000  109.50000
   74    66    72    90.00000  108.56700
   74    50    51    35.00000  109.50000
   50    38    43    70.00000  124.00000
   50    47    48    70.00000  112.02700
   50    47    72    58.35000  112.70000
   63    58    59    60.00000  108.02500
   63    58    62   110.00000  112.08000
   60    56    57    35.00000  109.50000
   60    56    58    63.00000  111.10000
   60    65    68    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   45    43    44   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   33    38    50    47   0.46850  1.0 1.0
   33    38    50    47   0.08550 -1.0 2.0
   33    38    50    47   0.09800  1.0 3.0
   33    38    50    74   0.09700  1.0 1.0
   33    38    50    74   0.15600 -1.0 2.0
   33    38    50    74  -0.50800  1.0 3.0
   33    38    50    51   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    50   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43   -44    47  -2.26850  1.0 1.0
   38    43   -44    47   3.39050 -1.0 2.0
   38    43    45    46  -0.66100  1.0 1.0
   38    43    45    46   1.20850 -1.0 2.0
   38    43    45    46  -0.36000  1.0 3.0
   43    38   -50    47   0.09850  1.0 1.0
   43    38   -50    47   0.15250 -1.0 2.0
   43    38   -50    47  -0.50650  1.0 3.0
   43    38    50    74   0.39000  1.0 1.0
   43    38    50    74  -0.05800 -1.0 2.0
   43    38    50    74  -0.55150  1.0 3.0
   43    38    50    51   0.00000  1.0 1.0
   43    44    47    48  -0.48150  1.0 1.0
   43    44    47    48   0.09250 -1.0 2.0
   43    44    47    48  -0.12850  1.0 3.0
   43    44    47    72  -0.46850  1.0 1.0
   43    44    47    72   0.09300 -1.0 2.0
   43    44    47    72  -0.12850  1.0 3.0
   43    44   -47    50  -0.46850  1.0 1.0
   43    44   -47    50   0.09300 -1.0 2.0
   43    44   -47    50  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   44    47    48    49   0.00000  1.0 1.0
   44    47    48    52   0.39000  1.0 1.0
   44    47    48    52  -0.05800 -1.0 2.0
   44    47    48    52  -0.55150  1.0 3.0
   44    47    72    54   0.62750  1.0 1.0
   44    47    72    54  -0.30950 -1.0 2.0
   44    47    72    54   0.27300  1.0 3.0
   44    47    72    66   0.62750  1.0 1.0
   44    47    72    66  -0.30950 -1.0 2.0
   44    47    72    66   0.27300  1.0 3.0
   44    47    72    73   0.23400  1.0 3.0
   44    47   -50    38   0.61850  1.0 1.0
   44    47   -50    38  -0.22750 -1.0 2.0
   44    47   -50    38   0.15300  1.0 3.0
   44    47    50    74   1.11900  1.0 1.0
   44    47    50    74  -1.16350 -1.0 2.0
   44    47    50    74  -0.34150  1.0 3.0
   44    47    50    51   0.23400  1.0 3.0
   47    48    52    53   7.00000 -1.0 2.0
   47    48   -52    54   7.00000 -1.0 2.0
   48    47   -72    54   0.34400  1.0 1.0
   48    47   -72    54   0.09450 -1.0 2.0
   48    47   -72    54   0.11100  1.0 3.0
   48    47    72    66   0.34400  1.0 1.0
   48    47    72    66   0.09450 -1.0 2.0
   48    47    72    66   0.11100  1.0 3.0
   48    47    72    73   0.15000  1.0 3.0
   48    47    50    38   0.31000  1.0 1.0
   48    47    50    38   0.14700 -1.0 2.0
   48    47    50    38   0.07550  1.0 3.0
   48    47    50    74   0.61850  1.0 1.0
   48    47    50    74  -0.22750 -1.0 2.0
   48    47    50    74   0.15300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    52    54    55   0.00000  1.0 1.0
   48    52    54    56   0.09850  1.0 1.0
   48    52    54    56   0.15250 -1.0 2.0
   48    52    54    56  -0.50650  1.0 3.0
   48    52   -54    72   0.09850  1.0 1.0
   48    52   -54    72   0.15250 -1.0 2.0
   48    52   -54    72  -0.50650  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    54   7.00000 -1.0 2.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.34400  1.0 1.0
   52    54    56    58   0.09450 -1.0 2.0
   52    54    56    58   0.11100  1.0 3.0
   52    54    56    60  -0.98800  1.0 1.0
   52    54    56    60   0.48800 -1.0 2.0
   52    54    56    60   0.76800  1.0 3.0
   52    54   -72    47   0.34400  1.0 1.0
   52    54   -72    47   0.09450 -1.0 2.0
   52    54   -72    47   0.11100  1.0 3.0
   52    54    72    66   0.34400  1.0 1.0
   52    54    72    66   0.09450 -1.0 2.0
   52    54    72    66   0.11100  1.0 3.0
   52    54    72    73   0.15000  1.0 3.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    72   0.00000  1.0 1.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    62   0.62750  1.0 1.0
   54    56    58    62  -0.30950 -1.0 2.0
   54    56    58    62   0.27300  1.0 3.0
   54    56    58    63   0.86500  1.0 1.0
   54    56    58    63  -0.17500 -1.0 2.0
   54    56    58    63   0.20800  1.0 3.0
   54    56    60    61   0.30150 -1.0 2.0
   54    56    60    65   0.36750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60  -0.11250  1.0 3.0
   55    54    72    47   0.15000  1.0 3.0
   55    54    72    66   0.15000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   56    54    72    47   0.56750  1.0 1.0
   56    54    72    47  -0.07550 -1.0 2.0
   56    54    72    47   0.20000  1.0 3.0
   56    54    72    66   3.97050  1.0 1.0
   56    54    72    73   0.15000  1.0 3.0
   56    58   -62    66   0.06250  1.0 1.0
   56    58   -62    66  -0.01100 -1.0 2.0
   56    58   -62    66   0.28050  1.0 3.0
   56    58    63    64  -0.11600  1.0 1.0
   56    58    63    64  -0.09450 -1.0 2.0
   56    58    63    64   0.21250  1.0 3.0
   56    60    65    68   1.63150  1.0 1.0
   56    60    65    68   2.92000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    65   0.00000  1.0 1.0
   58    56    60    61   0.30150 -1.0 2.0
   58    56    60    65   0.36750  1.0 3.0
   58    62    66    67   0.37050  1.0 3.0
   58    62    66    72   0.06250  1.0 1.0
   58    62    66    72  -0.01100 -1.0 2.0
   58    62    66    72   0.28050  1.0 3.0
   58    62    66    74  -0.53350  1.0 1.0
   58    62    66    74  -0.78350 -1.0 2.0
   58    62    66    74   0.33750  1.0 3.0
   59    58    62    66   0.37050  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   62    58    63    64  -0.50000  1.0 1.0
   62    58    63    64  -0.73950 -1.0 2.0
   62    58    63    64   0.17150  1.0 3.0
   62    66    72    47   0.62750  1.0 1.0
   62    66    72    47  -0.30950 -1.0 2.0
   62    66    72    47   0.27300  1.0 3.0
   62    66   -72    54   0.62750  1.0 1.0
   62    66   -72    54  -0.30950 -1.0 2.0
   62    66   -72    54   0.27300  1.0 3.0
   62    66    72    73   0.23400  1.0 3.0
   62    66    74    50  -0.53350  1.0 1.0
   62    66    74    50  -0.78350 -1.0 2.0
   62    66    74    50   0.33750  1.0 3.0
   66    74    50    38  -0.77900  1.0 1.0
   66    74    50    38  -0.36900 -1.0 2.0
   66    74    50    38   0.40400  1.0 3.0
   66    74   -50    47   0.06250  1.0 1.0
   66    74   -50    47  -0.01100 -1.0 2.0
   66    74   -50    47   0.28050  1.0 3.0
   66    74    50    51   0.37050  1.0 3.0
   67    66    72    47   0.15000  1.0 3.0
   67    66    72    54   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    74    50   0.37050  1.0 3.0
   72    47    48    49   0.00000  1.0 1.0
   72    47   -48    52   0.09850  1.0 1.0
   72    47   -48    52   0.15250 -1.0 2.0
   72    47   -48    52  -0.50650  1.0 3.0
   72    47    50    38   0.34400  1.0 1.0
   72    47    50    38   0.09450 -1.0 2.0
   72    47    50    38   0.11100  1.0 3.0
   72    47   -50    74   0.62750  1.0 1.0
   72    47   -50    74  -0.30950 -1.0 2.0
   72    47   -50    74   0.27300  1.0 3.0
   72    47    50    51   0.15000  1.0 3.0
   72    54    56    57   0.15000  1.0 3.0
   72    54   -56    58   3.97050  1.0 1.0
   72    54    56    60  -0.95700  1.0 1.0
   72    54    56    60  -0.18200 -1.0 2.0
   72    54    56    60   0.29450  1.0 3.0
   72    66   -74    50   0.06250  1.0 1.0
   72    66   -74    50  -0.01100 -1.0 2.0
   72    66   -74    50   0.28050  1.0 3.0
   74    66   -72    47   0.62750  1.0 1.0
   74    66   -72    47  -0.30950 -1.0 2.0
   74    66   -72    47   0.27300  1.0 3.0
   74    66    72    54   0.62750  1.0 1.0
   74    66    72    54  -0.30950 -1.0 2.0
   74    66    72    54   0.27300  1.0 3.0
   74    66    72    73   0.23400  1.0 3.0
   50    38   -43    44   7.00000 -1.0 2.0
   50    38    43    45   7.00000 -1.0 2.0
   50    47    48    49   0.00000  1.0 1.0
   50    47    48    52   0.09850  1.0 1.0
   50    47    48    52   0.15250 -1.0 2.0
   50    47    48    52  -0.50650  1.0 3.0
   50    47    72    54   0.56750  1.0 1.0
   50    47    72    54  -0.07550 -1.0 2.0
   50    47    72    54   0.20000  1.0 3.0
   50    47   -72    66   3.97050  1.0 1.0
   50    47    72    73   0.15000  1.0 3.0
   63    58    62    66  -0.70900  1.0 1.0
   63    58    62    66  -1.18000 -1.0 2.0
   63    58    62    66   0.91650  1.0 3.0
   60    56    58    59  -0.11250  1.0 3.0
   60    56    58    62  -0.09450  1.0 1.0
   60    56    58    62  -1.12950 -1.0 2.0
   60    56    58    62   0.54000  1.0 3.0
   60    56    58    63  -0.09450  1.0 1.0
   60    56    58    63  -1.12950 -1.0 2.0
   60    56    58    63   0.54000  1.0 3.0
   60    65    68    69   0.08050  1.0 3.0
   60    65    68    70   0.08050  1.0 3.0
   60    65    68    71   0.08050  1.0 3.0
   61    60    65    68   3.00000 -1.0 2.0
   45    43    44    47   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    50   0.46850  1.0 1.0
   39    33    38    50   0.08550 -1.0 2.0
   39    33    38    50   0.09800  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    50    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   47    49    48    52   1.10000 -1.0 2.0
   54    53    52    48   1.10000 -1.0 2.0
   56    65    60    61  10.50000 -1.0 2.0
END
