* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    213     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    60.40504    81.00809
    3     1 S   H    _H1_     3     1.02142    51.82835  -122.73081
    4     1 S   H    _H2_     4     1.02085   106.40547   -21.53093
    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     1.08641   109.88695   179.05581
   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   _C8_    36     1.82833    97.95982   161.82717
   34    33 S   HC   _H4_    37     1.09721   106.60649    39.30493
   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   _C9_    38     1.51258   109.87266   -79.97042
   39    38 S   CT   _C4_    39     1.51381   116.15176   -81.68160
   40    39 S   HC   _H6_    40     1.09873   108.75856    73.04928
   41    39 S   HC   _H7_    41     1.09688   110.78340  -170.52697
   42    38 S   CM   _C10    54     1.34186   122.05047   101.73078
   43    42 S   HC   _H10    55     1.07886   121.26139    -3.54989
   44    39 S   CT   _C5_    42     1.53101   111.66163   -47.79051
   45    44 S   HC   _H3_    43     1.09629   109.17255   169.61878
   46    42 S   CG   _C11    56     1.45894   118.09253   176.44191
   47    46 S   HC   _H11    57     1.09808   121.05113   -59.93390
   48    44 S   NP   _N4_    44     1.50580   109.96904    54.68079
   49    48 S   H    _H8_    45     1.03011   109.11684   179.12598
   50    48 S   H    _H9_    46     1.02991   109.19799    64.41794
   51    44 S   CO3  _C18    51     1.51948   111.08794   -73.50704
   52    51 S   O2Z  _O38    52     1.26251   115.25526   151.32623
   53    51 S   O2Z  _O37    53     1.26325   114.82960   -28.62784
   54    46 S   NIP  _N5_    58     1.53670   116.27025   119.97486
   55    33 S   CM   _C6_    47     1.50846   109.43696   158.09779
   56    54 S   CM   _C12    59     1.38138   128.68423     0.00000
   57    56 S   HC   _H12    60     1.07803   123.89310     0.09691
   58    55 S   CMA  _C7_    48     1.34111   123.61622  -103.45384
   59    58 S   OM   _O33    49     1.38813   118.84561   179.91153
   60    58 S   OM   _O34    50     1.38861   118.78707    -0.03426
   61    56 S   CM   _C13    61     1.34808   107.54067  -179.95154
   62    61 S   NI   _N6_    62     1.40025   114.41627     0.01978
   63    61 S   CT   _C15    65     1.48618   126.30540   179.97202
   64    63 S   HC   _H14    66     1.09874   108.07007   120.00504
   65    63 S   HC   _H15    67     1.09972   109.15529     4.53592
   66    54 S   CDX  _C14    63     1.54895   128.57264  -179.89165
   67    66 S   HC   _H13    64     1.09852   124.31315    -0.08156
   68    63 S   CT   _C16    68     1.53400   112.79847  -118.37713
   69    68 S   HC   _H5_    69     1.09752   109.31395   -60.00252
   70    68 S   CO3  _C17    70     1.54027   115.64836    62.43339
   71    70 S   O2Z  _O36    71     1.26572   114.21179    56.42016
   72    70 S   O2Z  _O35    72     1.26160   116.46626  -122.95039
   73    68 S   NP   _N7_    73     1.49925   107.34157  -173.12431
   74    73 S   H    _H16    74     1.01955   110.13656    59.29776
   75    73 S   H    _H17    75     1.02063   110.08448   -60.69303
   76    73 S   H    _H18    76     1.01972   110.13789   179.31700
  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   8   5   4   3
  16   6   2   1   1  14  14   6   5   8   3   9   7   8   3   9
   4   3   3   1   1   7   3   9   4   2   1   1  10   6  12   5
   4   1   1   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    50    55    58    59    60    42    43    46  
   38    39    48    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    58    51    42    43    46    47    54  
   40    41    44    45    48    49    50    55    51    52    53    42    43    46  
   41    44    45    48    51    42  
   44    45    48    51    42  
   43    46    47    54    56    66    44    55  
   46    47    54  
   45    48    49    50    55    58    51    52    53  
   48    49    50    55    51    52    53  
   47    54    56    57    61    62    66    67  
   54    56    66  
   49    50    55    58    59    60    51    52    53  
   50    55    58    51  
   55    58    51  
   52    53    55  
   53  
    0  
   56    57    61    62    66    67    63  
   58    59    60  
   57    61    62    66    67    63    64    65    68  
   61    62    66    63  
   59    60  
   60  
    0  
   62    66    67    63    64    65    68    69    70    73  
   66    67    63    64    65    68  
   64    65    68    69    70    71    72    73    74    75    76    66  
   65    68    69    70    73  
   68    69    70    73  
   67  
    0  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700   0.135000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   52   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   54   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   62   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   71   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   74   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    55   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   367.000  1.471
   44    51   317.000  1.522
   48    49   434.000  1.010
   48    50   434.000  1.010
   48    55   280.000  1.473
   55    58   465.000  1.376
   58    59   745.000  1.250
   58    60   745.000  1.250
   51    52   656.000  1.250
   51    53   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    54   635.000  1.286
   54    56   335.000  1.413
   54    66   335.000  1.413
   56    57   340.000  1.080
   56    61   549.000  1.340
   61    62   405.000  1.380
   61    63   317.000  1.510
   62    66   650.000  1.285
   66    67   370.000  1.091
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.522
   68    73   367.000  1.471
   70    71   656.000  1.250
   70    72   656.000  1.250
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   434.000  1.010
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    55    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    80.00000  107.80000
   33    55    58    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.20000
   39    44    51    70.00000  109.69300
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    55    70.00000  115.12000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    58    65.00000  118.08000
   50    48    49    35.00000  109.50000
   55    33    34    35.00000  109.50000
   55    33    38    70.00000  110.12100
   55    48    49    50.00000  110.25200
   55    48    50    50.00000  110.25200
   55    58    59    65.00000  137.10300
   55    58    60    65.00000  137.10300
   60    58    59    65.00000  121.00000
   51    44    45    35.00000  109.50000
   51    44    48    80.00000  109.26000
   53    51    52    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    54    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    54    56    70.00000  118.46000
   46    54    66    70.00000  118.46000
   54    46    47    45.00000  118.03900
   54    56    57    45.00000  112.60000
   54    56    61    70.00000  113.56000
   54    66    62    75.00000  124.00000
   54    66    67    45.00000  112.60000
   56    61    62    70.00000  120.83400
   56    61    63    70.00000  124.00000
   61    56    57    35.00000  120.00000
   61    62    66    70.00000  116.49400
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    68    70.00000  112.02700
   62    66    67    45.00000  121.92500
   66    54    56    70.00000  121.00000
   63    61    62    65.00000  119.96000
   63    68    69    37.50000  110.70000
   63    68    70    70.00000  109.69300
   63    68    73    80.00000  111.20000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    70    71    70.00000  117.00000
   68    70    72    70.00000  117.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    80.00000  126.00000
   73    68    69    35.00000  109.50000
   73    68    70    80.00000  109.26000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
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    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.09700  1.0 1.0
   29    33    55    48   0.15600 -1.0 2.0
   29    33    55    48  -0.50800  1.0 3.0
   29    33    55    58   0.42700  1.0 1.0
   29    33    55    58  -0.70350 -1.0 2.0
   29    33    55    58  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    58    59   7.00000 -1.0 2.0
   33    55    58    60   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48   0.00000  1.0 1.0
   34    33    55    58   0.00000  1.0 1.0
   38    33    55    48   0.09700  1.0 1.0
   38    33    55    48   0.15600 -1.0 2.0
   38    33    55    48  -0.50800  1.0 3.0
   38    33    55    58  -0.28300  1.0 1.0
   38    33    55    58   0.26700 -1.0 2.0
   38    33    55    58  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48  -0.47300  1.0 1.0
   38    39   -44    48   0.29700 -1.0 2.0
   38    39   -44    48   0.83300  1.0 3.0
   38    39    44    51  -0.98800  1.0 1.0
   38    39    44    51   0.48800 -1.0 2.0
   38    39    44    51   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    54   1.09700  1.0 1.0
   38    42    46    54   0.56350 -1.0 2.0
   38    42    46    54   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.17350  1.0 3.0
   39    44    48    50   0.17350  1.0 3.0
   39    44    48    55   0.47100  1.0 1.0
   39    44    51    52   0.41150 -1.0 2.0
   39    44    51    53   0.41150 -1.0 2.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.19200  1.0 3.0
   40    39    44    51  -0.11250  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.19200  1.0 3.0
   41    39    44    51  -0.11250  1.0 3.0
   44    48   -55    33   0.00000  1.0 1.0
   44    48    55    58   0.00000  1.0 1.0
   45    44    48    49   0.13050  1.0 3.0
   45    44    48    50   0.13050  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   48    44    51    52   0.30150 -1.0 2.0
   48    44    51    53   0.30150 -1.0 2.0
   48    55    58    59   7.00000 -1.0 2.0
   48    55    58    60   7.00000 -1.0 2.0
   49    48    55    33   0.00000  1.0 1.0
   49    48    55    58   0.00000  1.0 1.0
   50    48    55    33   0.00000  1.0 1.0
   50    48    55    58   0.00000  1.0 1.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    42  -0.28300  1.0 1.0
   55    33    38    42   0.26700 -1.0 2.0
   55    33    38    42  -0.63300  1.0 3.0
   51    44    48    49   0.17350  1.0 3.0
   51    44    48    50   0.17350  1.0 3.0
   51    44    48    55   0.47100  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    54    56   2.00000 -1.0 2.0
   42    46    54    66   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    54   0.97550 -1.0 2.0
   46    54    56    57   5.00000 -1.0 2.0
   46    54    56    61   5.00000 -1.0 2.0
   46    54    66    62   5.00000 -1.0 2.0
   46    54    66    67   5.00000 -1.0 2.0
   47    46    54    56   2.00000 -1.0 2.0
   47    46    54    66   2.00000 -1.0 2.0
   54    56   -61    62   7.00000 -1.0 2.0
   54    56    61    63   7.00000 -1.0 2.0
   56    54   -66    62   5.00000 -1.0 2.0
   56    54    66    67   5.00000 -1.0 2.0
   56    61   -62    66   1.00000 -1.0 2.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65   0.00000  1.0 1.0
   56    61    63    68   0.09850  1.0 1.0
   56    61    63    68   0.15250 -1.0 2.0
   56    61    63    68  -0.50650  1.0 3.0
   57    56    61    62   7.00000 -1.0 2.0
   57    56    61    63   7.00000 -1.0 2.0
   61    62   -66    54   6.00000 -1.0 2.0
   61    62    66    67   4.00000 -1.0 2.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70  -0.98800  1.0 1.0
   61    63    68    70   0.48800 -1.0 2.0
   61    63    68    70   0.76800  1.0 3.0
   61    63    68    73  -0.47300  1.0 1.0
   61    63    68    73   0.29700 -1.0 2.0
   61    63    68    73   0.83300  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.09700  1.0 1.0
   62    61    63    68   0.15600 -1.0 2.0
   62    61    63    68  -0.50800  1.0 3.0
   66    54    56    57   5.00000 -1.0 2.0
   66    54   -56    61   5.00000 -1.0 2.0
   63    61    62    66   1.00000 -1.0 2.0
   63    68    70    71   0.41150 -1.0 2.0
   63    68    70    72   0.41150 -1.0 2.0
   63    68    73    74   0.17350  1.0 3.0
   63    68    73    75   0.17350  1.0 3.0
   63    68    73    76   0.17350  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70  -0.11250  1.0 3.0
   64    63    68    73   0.19200  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70  -0.11250  1.0 3.0
   65    63    68    73   0.19200  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.13050  1.0 3.0
   70    68    73    74   0.17350  1.0 3.0
   70    68    73    75   0.17350  1.0 3.0
   70    68    73    76   0.17350  1.0 3.0
   73    68    70    71   0.30150 -1.0 2.0
   73    68    70    72   0.30150 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   33    48    55    58   1.10000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    54  10.50000 -1.0 2.0
   56    66    54    46   1.00000 -1.0 2.0
   54    57    56    61   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   54    67    66    62  10.50000 -1.0 2.0
   71    68    70    72  10.50000 -1.0 2.0
END
