* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    130    216     386
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02062   106.12143   -24.24330
    3     1 S   H    _H1_     3     1.02108    62.11098    78.71107
    4     1 S   H    _H2_     4     1.02095    50.23112  -125.38452
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.84977    97.25567  -158.15726
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C11    37     1.51812   108.28973  -160.01653
   38    33 S   CO4  _C19    67     1.52624   106.73278   -40.77879
   39    38 S   O    _O34    68     1.22718   121.70411    93.32840
   40    37 S   CA   _C8_    38     1.46609   106.71213   -94.51896
   41    37 S   CM   _C12    57     1.34191   124.53272    92.79049
   42    40 S   CA   _C7_    39     1.40450   108.41124   -16.01374
   43    41 S   CA   _C13    58     1.47912   119.04700    -0.24866
   44    41 S   OH   _O36    71     1.37313   126.87117   173.21592
   45    44 S   HO   _H16    72     0.96511   110.21371     6.22696
   46    42 S   CA   _C6_    40     1.38886   120.69421  -178.94353
   47    46 S   HA   _H7_    41     1.08581   120.70080   178.23686
   48    33 S   CT   _C21    52     1.55857   114.22849    85.13570
   49    48 S   HC   _H3_    53     1.09801   110.08908  -156.19128
   50    43 S   CA   _C14    59     1.40256   122.23276  -165.22830
   51    50 S   HA   _H10    60     1.08815   120.95407     2.08769
   52    46 S   CA   _C5_    42     1.39552   118.74403    -1.60413
   53    48 S   NT   _N4_    54     1.45853   115.48549   -33.60023
   54    53 S   H    _H13    55     0.99697   118.22179   -40.48926
   55    53 S   H    _H14    56     0.99839   118.06262   152.98946
   56    50 S   CA   _C15    61     1.39835   120.92950  -177.35929
   57    56 S   HA   _H11    62     1.08571   119.80544   179.63150
   58    52 S   CA   _C10    43     1.40105   120.52435     0.62495
   59    58 S   HA   _H8_    44     1.08862   119.68438  -179.21991
   60    52 S   CT   _C4_    48     1.49255   119.76637  -179.47586
   61    60 S   HC   _H4_    49     1.09628   110.34369    89.97967
   62    60 S   HC   _H5_    50     1.09789   111.25548  -149.44354
   63    60 S   HC   _H6_    51     1.09782   111.21238   -30.44974
   64    56 S   CA   _C16    63     1.39212   120.24568    -0.04846
   65    64 S   HA   _H12    64     1.08742   119.51660   179.94065
   66    40 S   CA   _C9_    45     1.38793   130.88493   163.21106
   67    64 S   CA   _C17    65     1.39133   119.94311    -0.77050
   68    66 S   OH   _O33    46     1.35758   123.22796    -3.56183
   69    68 S   HO   _H9_    47     0.97160   110.44187  -176.42839
   70    43 S   CA   _C18    66     1.40820   119.85669    16.07690
   71    67 S   OH   _O35    69     1.36328   117.58501  -178.21491
   72    71 S   HO   _H15    70     0.96991   110.23548   179.97202
  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  11   5   4   3
  17   2   1   1  17  13   4  15  11  12  10   3   1  12   4   7
   3   7   4   8   2   1   1   6   3   8   3   4   2   1   1   5
   3   2   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    42    48    49    53    41    70    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    46    66    48    49    53    54    55    41    43    67    70    38    39    44  
   35    36  
   36  
    0  
   40    42    46    58    66    68    48    49    53    41    43    50    70    38    39    44    45  
   39    71    40    41    42    43    48    49    50    53    64    67    70  
   43    48    67    70  
   42    46    47    52    58    59    66    68    69    48    49    53    41    43    44  
   43    50    51    56    67    70    44    45    42    48    66  
   46    47    52    58    66    68    60    48    49    53    54    55  
   50    51    56    57    64    67    70    71    44    45  
   45    50    70  
    0  
   47    52    58    59    66    60    61    62    63    48    49    53  
   52    58    60    48  
   49    53    54    55    70    52    66  
   53    54    55  
   51    56    57    64    65    67    70  
   56    57    64    70  
   58    59    66    68    60    61    62    63  
   54    55  
   55  
    0  
   57    64    65    67    70    71  
   64    65    67  
   59    66    68    69    60    61    62    63  
   66    68    60  
   61    62    63    66  
   62    63  
   63  
    0  
   65    67    70    71    72  
   67    70    71  
   68    69  
   70    71    72  
   69  
    0  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.235000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    48   268.000  1.529
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   549.000  1.340
   40    42   469.000  1.400
   40    66   469.000  1.400
   42    46   469.000  1.400
   42    48   317.000  1.510
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    58   469.000  1.400
   52    60   317.000  1.510
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    68   450.000  1.364
   68    69   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    53   382.000  1.448
   53    54   434.000  1.010
   53    55   434.000  1.010
   41    43   320.000  1.460
   41    44   510.000  1.338
   43    50   469.000  1.400
   43    70   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    70   469.000  1.400
   67    71   450.000  1.364
   70    38   310.000  1.470
   38    39   570.000  1.229
   71    72   553.000  0.945
   44    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    48    42    70.00000  112.17500
   33    48    49    37.50000  110.70000
   33    48    53    56.20000  109.47000
   33    38    70    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    42    60.00000  120.93500
   37    40    66    60.00000  120.93500
   37    41    43    60.00000  123.20500
   37    41    44    80.00000  121.38400
   40    42    46    63.00000  120.00000
   40    42    48    70.00000  120.00000
   40    66    58    63.00000  120.00000
   40    66    68    70.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    52    63.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    53    75.00000  112.33000
   46    52    58    63.00000  120.00000
   46    52    60    70.00000  120.00000
   52    46    47    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    66    63.00000  120.00000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   58    66    68    70.00000  120.00000
   66    40    42    63.00000  120.00000
   66    58    59    35.00000  120.00000
   66    68    69    35.00000  113.00000
   60    52    58    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    33    37    70.00000  112.02700
   48    42    46    70.00000  120.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   53    48    49    35.00000  109.50000
   55    53    54    43.60000  106.40000
   41    37    40    60.00000  123.20500
   41    43    50    60.00000  120.93500
   41    43    70    60.00000  120.93500
   41    44    45    70.00000  107.45700
   43    50    51    35.00000  120.00000
   43    50    56    63.00000  120.00000
   43    70    67    63.00000  120.00000
   43    70    38    60.00000  119.52600
   50    56    57    35.00000  120.00000
   50    56    64    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    64    65    35.00000  120.00000
   56    64    67    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    67    70    63.00000  120.00000
   64    67    71    70.00000  120.00000
   67    64    65    35.00000  120.00000
   67    70    38    60.00000  119.52600
   67    71    72    35.00000  113.00000
   70    43    50    63.00000  120.00000
   70    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    48    63.00000  111.10000
   71    67    70    70.00000  120.00000
   44    41    43    85.00000  114.86500
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    48    42   0.56750  1.0 1.0
   29    33    48    42  -0.07550 -1.0 2.0
   29    33    48    42   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    38    70   0.65300  1.0 1.0
   29    33    38    70  -0.03850 -1.0 2.0
   29    33    38    70   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37   -40    42  -0.02500  1.0 1.0
   33    37   -40    42  -0.32150 -1.0 2.0
   33    37   -40    42  -0.01500  1.0 3.0
   33    37    40    66  -0.02500  1.0 1.0
   33    37    40    66  -0.32150 -1.0 2.0
   33    37    40    66  -0.01500  1.0 3.0
   33    37    41    43   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    48    53    54  -0.05950  1.0 1.0
   33    48    53    54   0.08850 -1.0 2.0
   33    48    53    54   0.11750  1.0 3.0
   33    48    53    55  -0.05950  1.0 1.0
   33    48    53    55   0.08850 -1.0 2.0
   33    48    53    55   0.11750  1.0 3.0
   37    33   -48    42   0.21200  1.0 1.0
   37    33   -48    42   0.16900 -1.0 2.0
   37    33   -48    42  -1.15100  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    48    53   0.59950  1.0 1.0
   37    33    48    53  -0.21400 -1.0 2.0
   37    33    48    53   0.56200  1.0 3.0
   37    33    38    70   0.65300  1.0 1.0
   37    33    38    70  -0.03850 -1.0 2.0
   37    33    38    70   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    42    46   3.62500 -1.0 2.0
   37    40   -42    48   3.62500 -1.0 2.0
   37    40    66    58   3.62500 -1.0 2.0
   37    40    66    68   3.62500 -1.0 2.0
   37    41    43    50   0.15800  1.0 1.0
   37    41    43    50   1.85350 -1.0 2.0
   37    41    43    50  -0.48700  1.0 3.0
   37    41   -43    70   0.15800  1.0 1.0
   37    41   -43    70   1.85350 -1.0 2.0
   37    41   -43    70  -0.48700  1.0 3.0
   37    41    44    45  -0.66100  1.0 1.0
   37    41    44    45   1.20850 -1.0 2.0
   37    41    44    45  -0.36000  1.0 3.0
   40    37    41    43   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    42    46    47   3.62500 -1.0 2.0
   40    42    46    52   3.62500 -1.0 2.0
   40    42   -48    33   0.04150 -1.0 2.0
   40    42    48    49   0.00000  1.0 1.0
   40    42    48    53   0.18550 -1.0 2.0
   40    42    48    53   0.14000  1.0 3.0
   40    66    68    69   0.84100 -1.0 2.0
   42    40    66    58   3.62500 -1.0 2.0
   42    40    66    68   3.62500 -1.0 2.0
   42    46   -52    58   3.62500 -1.0 2.0
   42    46    52    60   3.62500 -1.0 2.0
   42    48    53    54   0.76500  1.0 1.0
   42    48    53    54   0.05700 -1.0 2.0
   42    48    53    54  -0.90900  1.0 3.0
   42    48    53    55   0.76500  1.0 1.0
   42    48    53    55   0.05700 -1.0 2.0
   42    48    53    55  -0.90900  1.0 3.0
   46    42    48    33   0.04150 -1.0 2.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    53   0.18550 -1.0 2.0
   46    42    48    53   0.14000  1.0 3.0
   46    52    58    59   3.62500 -1.0 2.0
   46    52    58    66   3.62500 -1.0 2.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    62   0.00000  1.0 1.0
   46    52    60    63   0.00000  1.0 1.0
   47    46    52    58   3.62500 -1.0 2.0
   47    46    52    60   3.62500 -1.0 2.0
   52    58   -66    40   3.62500 -1.0 2.0
   52    58    66    68   3.62500 -1.0 2.0
   58    52    60    61   0.00000  1.0 1.0
   58    52    60    62   0.00000  1.0 1.0
   58    52    60    63   0.00000  1.0 1.0
   58    66    68    69   0.84100 -1.0 2.0
   59    58    66    40   3.62500 -1.0 2.0
   59    58    66    68   3.62500 -1.0 2.0
   66    40   -42    46   3.62500 -1.0 2.0
   66    40    42    48   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   60    52    58    66   3.62500 -1.0 2.0
   48    33   -37    40  -0.01700  1.0 1.0
   48    33   -37    40   0.06550 -1.0 2.0
   48    33   -37    40  -0.91500  1.0 3.0
   48    33    37    41   0.09850  1.0 1.0
   48    33    37    41   0.15250 -1.0 2.0
   48    33    37    41  -0.50650  1.0 3.0
   48    33    38    70   0.05850 -1.0 2.0
   48    33    38    70   0.17250  1.0 3.0
   48    33    38    39   0.30150 -1.0 2.0
   48    42    46    47   3.62500 -1.0 2.0
   48    42    46    52   3.62500 -1.0 2.0
   49    48    53    54   0.20000  1.0 3.0
   49    48    53    55   0.20000  1.0 3.0
   41    37    40    42   0.15800  1.0 1.0
   41    37    40    42   1.85350 -1.0 2.0
   41    37    40    42  -0.48700  1.0 3.0
   41    37    40    66   0.15800  1.0 1.0
   41    37    40    66   1.85350 -1.0 2.0
   41    37    40    66  -0.48700  1.0 3.0
   41    43    50    51   3.62500 -1.0 2.0
   41    43    50    56   3.62500 -1.0 2.0
   41    43    70    67   3.62500 -1.0 2.0
   41    43    70    38   3.62500 -1.0 2.0
   43    41    44    45   2.00000 -1.0 2.0
   43    50    56    57   3.62500 -1.0 2.0
   43    50    56    64   3.62500 -1.0 2.0
   43    70   -38    33   2.26350  1.0 1.0
   43    70   -38    33   0.76750 -1.0 2.0
   43    70   -38    33   0.22500  1.0 3.0
   43    70    38    39   1.05000 -1.0 2.0
   50    43    70    67   3.62500 -1.0 2.0
   50    43    70    38   3.62500 -1.0 2.0
   50    56    64    65   3.62500 -1.0 2.0
   50    56   -64    67   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    64   3.62500 -1.0 2.0
   56    64    67    70   3.62500 -1.0 2.0
   56    64    67    71   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    67   3.62500 -1.0 2.0
   64    67   -70    43   3.62500 -1.0 2.0
   64    67    70    38   3.62500 -1.0 2.0
   64    67    71    72   0.84100 -1.0 2.0
   65    64    67    70   3.62500 -1.0 2.0
   65    64    67    71   3.62500 -1.0 2.0
   67    70    38    33   2.26350  1.0 1.0
   67    70    38    33   0.76750 -1.0 2.0
   67    70    38    33   0.22500  1.0 3.0
   67    70    38    39   1.05000 -1.0 2.0
   70    43    50    51   3.62500 -1.0 2.0
   70    43   -50    56   3.62500 -1.0 2.0
   70    67    71    72   0.84100 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    48    42   0.56750  1.0 1.0
   38    33    48    42  -0.07550 -1.0 2.0
   38    33    48    42   0.20000  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    53  -3.56550  1.0 1.0
   38    33    48    53  -0.67500 -1.0 2.0
   38    33    48    53   1.11300  1.0 3.0
   71    67    70    43   3.62500 -1.0 2.0
   71    67    70    38   3.62500 -1.0 2.0
   44    41    43    50  -0.01750  1.0 1.0
   44    41    43    50  -0.32000 -1.0 2.0
   44    41    43    50   0.00600  1.0 3.0
   44    41    43    70  -0.01750  1.0 1.0
   44    41    43    70  -0.32000 -1.0 2.0
   44    41    43    70   0.00600  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   42    66    40    37   4.00000 -1.0 2.0
   46    48    42    40   4.00000 -1.0 2.0
   52    47    46    42   1.10000 -1.0 2.0
   58    60    52    46   4.00000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   58    68    66    40   4.00000 -1.0 2.0
   43    44    41    37   1.10000 -1.0 2.0
   50    70    43    41   4.00000 -1.0 2.0
   56    51    50    43   1.10000 -1.0 2.0
   64    57    56    50   1.10000 -1.0 2.0
   67    65    64    56   1.10000 -1.0 2.0
   70    71    67    64   4.00000 -1.0 2.0
   67    38    70    43   4.00000 -1.0 2.0
   33    70    38    39  10.50000 -1.0 2.0
END
