* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02024   106.32832   -22.39832
    3     1 S   H    _H1_     3     1.02105    60.97998    80.31544
    4     1 S   H    _H2_     4     1.02114    51.30364  -123.55204
    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     1.08612   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   _C14    36     1.84398    97.48885  -158.14977
   34    33 S   HC   _H6_    37     1.11040   101.36606    45.41960
   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   CT   _C13    38     1.55873   116.00607   159.99450
   39    38 S   HC   _H5_    39     1.08547   109.43542   128.88779
   40    33 S   CT   _C5_    64     1.57007   111.55249   -65.84739
   41    38 S   CT   _C12    40     1.53692   120.45626    -1.08570
   42    41 S   HC   _H4_    41     1.09268   113.71752    30.27887
   43    40 S   CT   _C4_    65     1.53871   111.47298   171.98100
   44    43 S   HC   _H7_    66     1.08403   109.21611   -45.75357
   45    43 S   HC   _H8_    67     1.08469   109.17019  -165.72579
   46    43 S   HC   _H9_    68     1.08452   109.19543    74.26473
   47    40 S   OH   _O36    69     1.45108   105.97583    60.11894
   48    47 S   HO   _H23    70     0.96316   104.98830   174.01804
   49    41 S   CM   _C16    42     1.49159   100.01718   -89.39798
   50    41 S   CT   _C11    49     1.54712   112.75530   153.42295
   51    50 S   HC   _H16    50     1.09824   109.37752   154.24084
   52    50 S   HC   _H17    51     1.09768   110.62380    37.50293
   53    49 S   CO4  _C15    43     1.47254   109.06387   -24.68766
   54    53 S   O    _O35    44     1.21678   127.39249  -168.83697
   55    49 S   CM   _C17    46     1.33447   128.44878   152.91580
   56    55 S   HC   _H18    47     1.08391   120.72938     2.68671
   57    55 S   HC   _H19    48     1.08377   120.71322  -177.29094
   58    50 S   CT   _C10    52     1.53543   113.18585   -86.67723
   59    58 S   HC   _H14    53     1.09713   108.77936  -174.54741
   60    58 S   HC   _H15    54     1.09742   109.21781   -59.07800
   61    38 S   OS   _O34    45     1.45926   106.75283  -118.95137
   62    58 S   C3T  _C9_    55     1.49146   112.69906    64.31287
   63    62 S   C3T  _C8_    56     1.50967   120.09457   -92.37615
   64    63 S   HC   _H3_    57     1.08059   120.80416    -0.54680
   65    62 S   CT   _C18    72     1.49512   115.50344    68.97484
   66    65 S   HC   _H20    73     1.10074   111.38767  -180.00000
   67    65 S   HC   _H21    74     1.09975   111.41356    60.02571
   68    65 S   HC   _H22    75     1.09940   111.46274   -59.97471
   69    63 S   CT   _C7_    58     1.49431   120.58188   155.41989
   70    69 S   HC   _H12    59     1.09861   106.74849   113.09168
   71    69 S   HC   _H13    60     1.09311   112.64048    -2.04641
   72    62 S   O3T  _O33    71     1.42786   115.69577  -159.54590
   73    69 S   CT   _C6_    61     1.53192   114.13153  -129.00638
   74    73 S   HC   _H10    62     1.10091   106.08271  -159.02870
   75    73 S   HC   _H11    63     1.09692   109.62820   -48.12205
  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  10   5   4   3
  20   8   2   1   1  16   7  15  15   8   9   4   3   2   5   1
  10  12   5   4   5   2   3   1   1  11   5   4   1  11  12   6
   5   3   2   1   6   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    73    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    53    61    50    69    73    74    75    40    43    44    45    46    47    48  
   38    39    41    61    73    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    53    54    61    55    50    51    52    58    73    40    43    47  
   41    42    49    53    61    50    40  
   43    44    45    46    47    48    41    61    63    69    70    71    73    74    75  
   42    49    53    54    61    55    56    57    50    51    52    58    59    60    62  
   49    53    61    55    50    51    52    58  
   44    45    46    47    48    69    73    74    75  
   45    46    47    73  
   46    47    73  
   47    73  
   48    69    73    74    75  
   73  
   53    54    61    55    56    57    50    51    52    58  
   51    52    58    59    60    62    63    72    65    53    55    61  
   52    58    59    60    62  
   58    59    60    62  
   54    61    55    56    57  
   61    55  
   56    57    61  
   57  
    0  
   59    60    62    63    64    69    72    65    66    67    68  
   60    62    63    72    65  
   62    63    72    65  
    0  
   63    64    69    70    71    73    72    65    66    67    68  
   64    69    70    71    73    74    75    72    65    66    67    68  
   69    70    71    73    72    65  
   66    67    68    69    72  
   67    68    72  
   68    72  
   72  
   70    71    73    74    75    72  
   71    73    74    75    72  
   73    74    75    72  
   73  
   74    75  
   75  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    53   320.000  1.462
   49    55   549.000  1.340
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.080
   55    57   340.000  1.080
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   275.000  1.510
   62    63   260.000  1.509
   62    72   335.000  1.432
   62    65   275.000  1.510
   63    64   340.000  1.088
   63    69   275.000  1.510
   63    72   335.000  1.432
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    73    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    53    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    53    65.00000  116.34900
   41    49    55    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    58    58.35000  112.70000
   49    41    42    35.00000  109.50000
   49    53    54    80.00000  123.72100
   49    53    61    90.00000  111.29400
   49    55    56    35.00000  120.00000
   49    55    57    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    53    54    83.00000  123.40000
   55    49    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    70.00000  112.37300
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    62    63    60.00000  120.94000
   58    62    72    80.00000  116.47100
   58    62    65    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    45.00000  109.38400
   62    58    60    45.00000  109.38400
   62    63    64    37.50000  117.20000
   62    63    69    60.00000  120.94000
   62    63    72    15.00000   60.43100
   62    72    63    15.00000   59.14900
   62    65    66    45.00000  109.38400
   62    65    67    45.00000  109.38400
   62    65    68    45.00000  109.38400
   63    69    70    45.00000  109.38400
   63    69    71    45.00000  109.38400
   63    69    73    70.00000  112.37300
   69    63    64    40.00000  115.04500
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    40    43    58.35000  112.70000
   73    40    47    50.00000  109.50000
   75    73    74    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   72    62    63    15.00000   60.43100
   72    63    64    50.00000  114.27700
   72    63    69    80.00000  116.47100
   65    62    63    60.00000  120.94000
   65    62    72    80.00000  116.47100
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    53  -0.25900  1.0 1.0
   33    38    61    53  -0.47000 -1.0 2.0
   33    38    61    53   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    53   0.09700  1.0 1.0
   38    41   -49    53   0.15600 -1.0 2.0
   38    41   -49    53  -0.50800  1.0 3.0
   38    41    49    55   0.09850  1.0 1.0
   38    41    49    55   0.15250 -1.0 2.0
   38    41    49    55  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    52   0.15000  1.0 3.0
   38    41    50    58   0.56750  1.0 1.0
   38    41    50    58  -0.07550 -1.0 2.0
   38    41    50    58   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    53   0.08050  1.0 3.0
   41    38   -61    53  -0.25900  1.0 1.0
   41    38   -61    53  -0.47000 -1.0 2.0
   41    38   -61    53   0.11750  1.0 3.0
   41    49    53    54  -0.64400  1.0 1.0
   41    49    53    54   0.26850 -1.0 2.0
   41    49   -53    61  -0.15000  1.0 1.0
   41    49   -53    61   0.89550 -1.0 2.0
   41    49   -53    61  -0.06900  1.0 3.0
   41    49    55    56   7.00000 -1.0 2.0
   41    49    55    57   7.00000 -1.0 2.0
   41    50    58    59   0.15000  1.0 3.0
   41    50    58    60   0.15000  1.0 3.0
   41    50    58    62   0.47050  1.0 1.0
   41    50    58    62   0.03900 -1.0 2.0
   41    50    58    62   0.20100  1.0 3.0
   42    41    49    53   0.15000  1.0 3.0
   42    41    49    55   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    52   0.15000  1.0 3.0
   42    41    50    58   0.15000  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    52   0.15000  1.0 3.0
   49    41    50    58   0.34400  1.0 1.0
   49    41    50    58   0.09450 -1.0 2.0
   49    41    50    58   0.11100  1.0 3.0
   49    53   -61    38   2.00000 -1.0 2.0
   53    49    55    56   7.00000 -1.0 2.0
   53    49    55    57   7.00000 -1.0 2.0
   54    53    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   55    49    53    54   1.00000 -1.0 2.0
   55    49    53    61  -0.56150  1.0 1.0
   55    49    53    61   2.19150 -1.0 2.0
   50    41    49    53   0.09700  1.0 1.0
   50    41    49    53   0.15600 -1.0 2.0
   50    41    49    53  -0.50800  1.0 3.0
   50    41    49    55   0.09850  1.0 1.0
   50    41    49    55   0.15250 -1.0 2.0
   50    41    49    55  -0.50650  1.0 3.0
   50    58    62    63   0.07850  1.0 1.0
   50    58    62    63  -0.03950 -1.0 2.0
   50    58    62    63   0.67350  1.0 3.0
   50    58    62    72   0.02550  1.0 1.0
   50    58    62    72  -0.02600 -1.0 2.0
   50    58    62    72   1.20400  1.0 3.0
   50    58    62    65   0.56750  1.0 1.0
   50    58    62    65  -0.07550 -1.0 2.0
   50    58    62    65   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    62   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    62   0.15000  1.0 3.0
   58    62    63    64   0.15000  1.0 3.0
   58    62    63    69   0.56750  1.0 1.0
   58    62    63    69  -0.07550 -1.0 2.0
   58    62    63    69   0.20000  1.0 3.0
   58    62   -63    72   0.02550  1.0 1.0
   58    62   -63    72  -0.02600 -1.0 2.0
   58    62   -63    72   1.20400  1.0 3.0
   58    62   -72    63   0.06250  1.0 1.0
   58    62   -72    63  -0.01100 -1.0 2.0
   58    62   -72    63   0.28050  1.0 3.0
   58    62    65    66   0.15000  1.0 3.0
   58    62    65    67   0.15000  1.0 3.0
   58    62    65    68   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    72   0.23400  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    72   0.23400  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    71   0.15000  1.0 3.0
   62    63    69    73   0.07850  1.0 1.0
   62    63    69    73  -0.03950 -1.0 2.0
   62    63    69    73   0.67350  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    73    40   0.47050  1.0 1.0
   63    69    73    40   0.03900 -1.0 2.0
   63    69    73    40   0.20100  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   64    63   -72    62   0.36800  1.0 3.0
   69    63   -72    62   0.06250  1.0 1.0
   69    63   -72    62  -0.01100 -1.0 2.0
   69    63   -72    62   0.28050  1.0 3.0
   69    73    40    33   0.56750  1.0 1.0
   69    73    40    33  -0.07550 -1.0 2.0
   69    73    40    33   0.20000  1.0 3.0
   69    73    40    43   0.56750  1.0 1.0
   69    73    40    43  -0.07550 -1.0 2.0
   69    73    40    43   0.20000  1.0 3.0
   69    73    40    47   0.86500  1.0 1.0
   69    73    40    47  -0.17500 -1.0 2.0
   69    73    40    47   0.20800  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    40   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    40   0.15000  1.0 3.0
   73    40    43    44   0.15000  1.0 3.0
   73    40    43    45   0.15000  1.0 3.0
   73    40    43    46   0.15000  1.0 3.0
   73    40    47    48  -0.11600  1.0 1.0
   73    40    47    48  -0.09450 -1.0 2.0
   73    40    47    48   0.21250  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    43   0.15000  1.0 3.0
   74    73    40    47   0.23400  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    43   0.15000  1.0 3.0
   75    73    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   72    62   -63    64   0.23400  1.0 3.0
   72    62   -63    69   0.02550  1.0 1.0
   72    62   -63    69  -0.02600 -1.0 2.0
   72    62   -63    69   1.20400  1.0 3.0
   72    62    65    66   0.23400  1.0 3.0
   72    62    65    67   0.23400  1.0 3.0
   72    62    65    68   0.23400  1.0 3.0
   72    63    69    70   0.23400  1.0 3.0
   72    63    69    71   0.23400  1.0 3.0
   72    63    69    73   0.02550  1.0 1.0
   72    63    69    73  -0.02600 -1.0 2.0
   72    63    69    73   1.20400  1.0 3.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62   -63    72   0.02550  1.0 1.0
   65    62   -63    72  -0.02600 -1.0 2.0
   65    62   -63    72   1.20400  1.0 3.0
   65    62   -72    63   0.06250  1.0 1.0
   65    62   -72    63  -0.01100 -1.0 2.0
   65    62   -72    63   0.28050  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
   41    53    49    55   1.10000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   56    57    55    49   1.10000 -1.0 2.0
END
