* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    225     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   105.43491   -29.43713
    3     1 S   H    _H1_     3     1.02088    65.31965    74.45851
    4     1 S   H    _H2_     4     1.02161    47.24976  -130.78695
    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   _C18    36     1.80758    98.57457   -78.12847
   34    33 S   HC   _H19    37     1.09355   109.22724   -59.32779
   35    33 S   HC   _H20    38     1.09272   109.42089    58.90167
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C17    39     1.48706   110.02372   179.96574
   40    39 S   CM   _C16    40     1.33190   128.32050   -89.71145
   41    40 S   OS   _O35    41     1.38481   115.51729   178.83584
   42    40 S   OH   _O36    72     1.36890   124.16849    -1.66425
   43    42 S   HO   _H21    73     0.96617   110.40252  -180.00000
   44    41 S   CT   _C12    42     1.45214   104.42690    -9.59198
   45    44 S   HC   _H4_    43     1.09830   106.06207  -101.90886
   46    44 S   CT   _C13    44     1.52938   107.05721   141.63465
   47    46 S   HC   _H15    45     1.09789   110.43141   -57.39961
   48    46 S   HC   _H16    46     1.10021   105.93701    55.11715
   49    39 S   CT   _C11    54     1.49392   122.69619    89.17123
   50    49 S   HC   _H3_    55     1.09927   109.45403   -55.33527
   51    46 S   CT   _C14    47     1.53427   115.96792   175.81530
   52    51 S   CM   _C8_    48     1.53022   117.41531    61.43278
   53    51 S   CT   _C15    64     1.53711   109.45718  -169.91900
   54    53 S   HC   _H17    65     1.09467   113.89902   -90.76662
   55    53 S   HC   _H18    66     1.09635   112.30463    32.79759
   56    52 S   CM   _C9_    49     1.34440   127.04752    -2.73208
   57    56 S   HC   _H12    50     1.08959   117.96434   178.91610
   58    52 S   CT   _C7_    56     1.52119   114.00555   179.36604
   59    58 S   HC   _H10    57     1.09625   112.06305   161.50809
   60    58 S   HC   _H11    58     1.09696   108.66861   -80.96712
   61    56 S   CT   _C10    51     1.49798   127.79162    -4.60466
   62    61 S   HC   _H13    52     1.09600   110.48409    75.16146
   63    61 S   HC   _H14    53     1.09822   106.71679  -170.73951
   64    58 S   CT   _C6_    59     1.53789   110.89190    39.37739
   65    64 S   HC   _H8_    60     1.09772   108.85173    80.12604
   66    64 S   HC   _H9_    61     1.09570   108.72700  -162.34159
   67    64 S   CO   _C5_    62     1.53756   110.49779   -40.36378
   68    67 S   OS   _O34    63     1.43472   108.22678   -55.26297
   69    51 S   OS   _O33    67     1.44007   109.62993   -60.58144
   70    67 S   CT   _C4_    68     1.51565   112.60173  -177.50432
   71    70 S   HC   _H5_    69     1.09328   110.34108  -180.00000
   72    70 S   HC   _H6_    70     1.09241   110.41170    60.02815
   73    70 S   HC   _H7_    71     1.09306   110.37973   -60.02521
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  14   7  15   6   5
   8   4  15  17   9   4   3   9   4  10   5   4   2   1   1   9
   5   4   6   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    61    49    50    42  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    44    45    46    56    61    62    63    49    50    42    43  
   41    44    45    46    61    49    50    42    43  
   44    45    46    47    48    51    61    49    50    42    43  
   43    44    49  
    0  
   45    46    47    48    51    52    56    61    62    63    49    50    53    69  
   46    47    48    51    61    49    50  
   47    48    51    52    56    61    49    50    58    67    68    53    54    55    69  
   48    51    52    49    53    69  
   51    52    49    53    69  
   50    51    52    56    57    61    62    63  
   56    61    62    63  
   52    56    57    61    58    59    60    64    67    68    53    54    55    69    70  
   56    57    61    62    63    58    59    60    64    65    66    67    68    53    54    55    69  
   54    55    69    70    56    58    64    67    68  
   55    69    67    68  
   69    67    68  
   57    61    62    63    58    59    60    64    69  
   61    62    63    58  
   59    60    64    65    66    67    68    69    70    61  
   60    64    65    66    67  
   64    65    66    67  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    49   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   317.000  1.510
   51    53   268.000  1.529
   51    69   320.000  1.410
   52    56   549.000  1.340
   52    58   317.000  1.510
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    49   268.000  1.529
   49    50   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   250.000  1.527
   67    68   320.000  1.380
   67    69   320.000  1.380
   67    70   250.000  1.527
   68    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    49    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    49    44    70.00000  112.02700
   39    49    61    70.00000  112.02700
   39    49    50    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    61    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  112.02700
   46    51    53    58.35000  112.70000
   46    51    69    50.00000  109.50000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    56    70.00000  124.00000
   51    52    58    65.00000  117.92700
   51    53    68    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    69    67    60.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    61    70.00000  124.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    64    70.00000  112.02700
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    49    70.00000  112.02700
   61    56    57    35.00000  117.00000
   61    49    50    37.50000  110.70000
   63    61    62    33.00000  107.80000
   49    39    40    70.00000  124.00000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    61    62    37.50000  110.70000
   49    61    63    37.50000  110.70000
   58    52    56    70.00000  124.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    75.00000  109.43000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    67    68    90.00000  108.56700
   64    67    69    90.00000  108.56700
   64    67    70    65.00000  112.71400
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  108.72000
   67    64    66    45.00000  108.72000
   67    68    53    60.00000  109.50000
   67    70    71    45.00000  108.72000
   67    70    72    45.00000  108.72000
   67    70    73    45.00000  108.72000
   68    53    54    35.00000  109.50000
   68    53    55    35.00000  109.50000
   53    51    52    70.00000  112.02700
   55    53    54    33.00000  107.80000
   69    51    52    85.00000  110.90400
   69    51    53    50.00000  109.50000
   69    67    68    92.60000  111.55000
   70    67    68    90.00000  108.56700
   70    67    69    90.00000  108.56700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    49    44   0.46850  1.0 1.0
   33    39    49    44   0.08550 -1.0 2.0
   33    39    49    44   0.09800  1.0 3.0
   33    39    49    61   0.46850  1.0 1.0
   33    39    49    61   0.08550 -1.0 2.0
   33    39    49    61   0.09800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -49    44   0.09850  1.0 1.0
   40    39   -49    44   0.15250 -1.0 2.0
   40    39   -49    44  -0.50650  1.0 3.0
   40    39    49    61   0.09850  1.0 1.0
   40    39    49    61   0.15250 -1.0 2.0
   40    39    49    61  -0.50650  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    49  -0.46850  1.0 1.0
   40    41   -44    49   0.09300 -1.0 2.0
   40    41   -44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    51   0.62750  1.0 1.0
   41    44    46    51  -0.30950 -1.0 2.0
   41    44    46    51   0.27300  1.0 3.0
   41    44   -49    39   0.61850  1.0 1.0
   41    44   -49    39  -0.22750 -1.0 2.0
   41    44   -49    39   0.15300  1.0 3.0
   41    44    49    61   0.62750  1.0 1.0
   41    44    49    61  -0.30950 -1.0 2.0
   41    44    49    61   0.27300  1.0 3.0
   41    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.34400  1.0 1.0
   44    46    51    52   0.09450 -1.0 2.0
   44    46    51    52   0.11100  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    69   0.62750  1.0 1.0
   44    46    51    69  -0.30950 -1.0 2.0
   44    46    51    69   0.27300  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    61   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.34400  1.0 1.0
   46    44    49    39   0.09450 -1.0 2.0
   46    44    49    39   0.11100  1.0 3.0
   46    44    49    61   0.56750  1.0 1.0
   46    44    49    61  -0.07550 -1.0 2.0
   46    44    49    61   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    56   0.09850  1.0 1.0
   46    51    52    56   0.15250 -1.0 2.0
   46    51    52    56  -0.50650  1.0 3.0
   46    51    52    58   0.46850  1.0 1.0
   46    51    52    58   0.08550 -1.0 2.0
   46    51    52    58   0.09800  1.0 3.0
   46    51    53    68   0.62750  1.0 1.0
   46    51    53    68  -0.30950 -1.0 2.0
   46    51    53    68   0.27300  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    69    67   0.06250  1.0 1.0
   46    51    69    67  -0.01100 -1.0 2.0
   46    51    69    67   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    69   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    69   0.23400  1.0 3.0
   51    52    56    57   7.00000 -1.0 2.0
   51    52    56    61   7.00000 -1.0 2.0
   51    52    58    59   0.34800  1.0 3.0
   51    52    58    60   0.34800  1.0 3.0
   51    52    58    64   0.46850  1.0 1.0
   51    52    58    64   0.08550 -1.0 2.0
   51    52    58    64   0.09800  1.0 3.0
   52    51    53    68   0.61850  1.0 1.0
   52    51    53    68  -0.22750 -1.0 2.0
   52    51    53    68   0.15300  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    69    67  -0.77900  1.0 1.0
   52    51    69    67  -0.36900 -1.0 2.0
   52    51    69    67   0.40400  1.0 3.0
   52    56    61    62   0.00000  1.0 1.0
   52    56    61    63   0.00000  1.0 1.0
   52    56    61    49   0.09850  1.0 1.0
   52    56    61    49   0.15250 -1.0 2.0
   52    56    61    49  -0.50650  1.0 3.0
   52    58    64    65   0.15000  1.0 3.0
   52    58    64    66   0.15000  1.0 3.0
   52    58   -64    67   0.34400  1.0 1.0
   52    58   -64    67   0.09450 -1.0 2.0
   52    58   -64    67   0.11100  1.0 3.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    64   0.09850  1.0 1.0
   56    52    58    64   0.15250 -1.0 2.0
   56    52    58    64  -0.50650  1.0 3.0
   56    61    49    39   0.31000  1.0 1.0
   56    61    49    39   0.14700 -1.0 2.0
   56    61    49    39   0.07550  1.0 3.0
   56    61    49    44   0.34400  1.0 1.0
   56    61    49    44   0.09450 -1.0 2.0
   56    61    49    44   0.11100  1.0 3.0
   56    61    49    50   0.15000  1.0 3.0
   57    56    61    62   0.33100  1.0 3.0
   57    56    61    63   0.33100  1.0 3.0
   57    56    61    49   0.00000  1.0 1.0
   62    61    49    39   0.15000  1.0 3.0
   62    61    49    44   0.15000  1.0 3.0
   62    61    49    50   0.15000  1.0 3.0
   63    61    49    39   0.15000  1.0 3.0
   63    61    49    44   0.15000  1.0 3.0
   63    61    49    50   0.15000  1.0 3.0
   49    39   -40    41   7.00000 -1.0 2.0
   49    39    40    42   7.00000 -1.0 2.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    61   7.00000 -1.0 2.0
   58    64    67    68   0.62750  1.0 1.0
   58    64    67    68  -0.30950 -1.0 2.0
   58    64    67    68   0.27300  1.0 3.0
   58    64    67    69   0.62750  1.0 1.0
   58    64    67    69  -0.30950 -1.0 2.0
   58    64    67    69   0.27300  1.0 3.0
   58    64    67    70   0.56750  1.0 1.0
   58    64    67    70  -0.07550 -1.0 2.0
   58    64    67    70   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.15000  1.0 3.0
   64    67    68    53   0.06250  1.0 1.0
   64    67    68    53  -0.01100 -1.0 2.0
   64    67    68    53   0.28050  1.0 3.0
   64    67   -69    51   0.06250  1.0 1.0
   64    67   -69    51  -0.01100 -1.0 2.0
   64    67   -69    51   0.28050  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   65    64    67    68   0.23400  1.0 3.0
   65    64    67    69   0.23400  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.23400  1.0 3.0
   66    64    67    69   0.23400  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    68   -53    51   0.06250  1.0 1.0
   67    68   -53    51  -0.01100 -1.0 2.0
   67    68   -53    51   0.28050  1.0 3.0
   67    68    53    54   0.37050  1.0 3.0
   67    68    53    55   0.37050  1.0 3.0
   68    67   -69    51  -0.53350  1.0 1.0
   68    67   -69    51  -0.78350 -1.0 2.0
   68    67   -69    51   0.33750  1.0 3.0
   68    67    70    71   0.23400  1.0 3.0
   68    67    70    72   0.23400  1.0 3.0
   68    67    70    73   0.23400  1.0 3.0
   53    51    52    56   0.09850  1.0 1.0
   53    51    52    56   0.15250 -1.0 2.0
   53    51    52    56  -0.50650  1.0 3.0
   53    51    52    58   0.46850  1.0 1.0
   53    51    52    58   0.08550 -1.0 2.0
   53    51    52    58   0.09800  1.0 3.0
   53    51   -69    67   0.06250  1.0 1.0
   53    51   -69    67  -0.01100 -1.0 2.0
   53    51   -69    67   0.28050  1.0 3.0
   69    51    52    56   0.39000  1.0 1.0
   69    51    52    56  -0.05800 -1.0 2.0
   69    51    52    56  -0.55150  1.0 3.0
   69    51   -52    58   0.09700  1.0 1.0
   69    51   -52    58   0.15600 -1.0 2.0
   69    51   -52    58  -0.50800  1.0 3.0
   69    51   -53    68   1.11900  1.0 1.0
   69    51   -53    68  -1.16350 -1.0 2.0
   69    51   -53    68  -0.34150  1.0 3.0
   69    51    53    54   0.23400  1.0 3.0
   69    51    53    55   0.23400  1.0 3.0
   69    67   -68    53  -0.53350  1.0 1.0
   69    67   -68    53  -0.78350 -1.0 2.0
   69    67   -68    53   0.33750  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.23400  1.0 3.0
   69    67    70    73   0.23400  1.0 3.0
   70    67    68    53   0.06250  1.0 1.0
   70    67    68    53  -0.01100 -1.0 2.0
   70    67    68    53   0.28050  1.0 3.0
   70    67    69    51   0.06250  1.0 1.0
   70    67    69    51  -0.01100 -1.0 2.0
   70    67    69    51   0.28050  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    49    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   51    58    52    56   1.10000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
END
