* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    215     390
    1     0 S   NP   _N1_     1    30.20538    90.59101   -19.25520
    2     1 S   H    _HN1     2     1.03387   115.06372   -39.39587
    3     1 S   H    _H1_     3     1.02947   121.60139    92.56015
    4     1 S   H    _H2_     4     1.02711    22.66097    36.27586
    5     1 S   CT   _CA1     5     1.49969    89.16022  -153.35096
    6     5 S   HC   _HA1     6     1.09567   105.28019    55.46618
    7     5 S   CO3  _C1_     7     1.53717   112.66827   -64.98167
    8     7 S   O2Z  _O11     8     1.26364   115.18406   -45.45590
    9     7 S   O2Z  _O12     9     1.26281   114.91276   133.82575
   10     5 S   CT   _CB1    10     1.52901   107.22372   173.30786
   11    10 S   HC   HB11    11     1.09781   109.38212   -51.71708
   12    10 S   HC   HB12    12     1.09810   110.17451    64.37254
   13    10 S   CT   _CG1    13     1.53063   113.20329  -172.73118
   14    13 S   HC   HG11    14     1.09554   111.28291   -69.46655
   15    13 S   HC   HG12    15     1.09586   110.79272    50.26890
   16    13 S   C    _CD1    16     1.51390   109.63071   169.59185
   17    16 S   O    _OE1    17     1.22834   121.87088  -103.66862
   18    16 S   N    _N2_    18     1.38298   112.77156    74.22384
   19    18 S   H    _HN2    19     1.01547   119.29529     8.24038
   20    18 S   CT1  _CA2    20     1.45654   122.74513  -172.80516
   21    20 S   HC   _HA2    21     1.09743   108.41905    26.75034
   22    20 S   C    _C2_    22     1.52813   107.64601   -90.77220
   23    22 S   O    _O2_    23     1.22975   123.02486   -27.74871
   24    20 S   CT   _CB2    32     1.53294   112.29404   148.86212
   25    24 S   HC   HB21    33     1.09609   110.35475    63.50843
   26    24 S   HC   HB22    34     1.09497   109.75442  -177.91034
   27    22 S   N    _N3_    24     1.38500   112.58303   155.10434
   28    27 S   H    _HN3    25     1.01661   120.38073    -2.45854
   29    24 S   S    _SG2    35     1.82777   111.70461   -56.57619
   30    27 S   CT   _CA3    26     1.45352   122.41451   178.51036
   31    30 S   HC   HA31    27     1.09570   107.71351   -57.23020
   32    30 S   HC   HA32    28     1.09564   107.68910    59.07666
   33    29 S   CT   _C16    36     1.84747    99.33841  -170.38252
   34    33 S   HC   _H6_    37     1.09600   105.70082   -32.80593
   35    30 S   CO3  _C3_    29     1.52874   114.37904  -179.17102
   36    35 S   O2Z  _O31    30     1.26321   116.08030    -2.84737
   37    35 S   O2Z  _O32    31     1.26444   114.40076   177.19000
   38    33 S   CT   _C17    38     1.54493   110.26432  -148.17631
   39    38 S   HC   _H14    39     1.09614   110.06819    56.17278
   40    38 S   HC   _H15    40     1.09550   109.74973   172.76611
   41    38 S   S    _S2_    41     1.82941   115.70047   -66.00140
   42    41 S   C4T  _C13    42     1.82510    97.05409   -53.96941
   43    42 S   HC   _H4_    43     1.09463   114.47289   -80.15477
   44    42 S   C4T  _C12    44     1.55470   115.83018   143.19634
   45    44 S   HC   _H3_    45     1.09762   112.69441   142.69790
   46    42 S   N4   _N7_    48     1.45410   109.36205    47.45620
   47    44 S   C4   _C14    46     1.55077    85.31670  -105.04649
   48    47 S   O    _O36    47     1.20894   136.77302   174.23568
   49    33 S   CT1  _C15    49     1.54332   110.59508    86.49440
   50    49 S   HC   _H5_    50     1.09819   109.76827   -41.95331
   51    44 S   N    _N6_    54     1.47823   117.75906    11.25955
   52    51 S   H    _H13    55     1.01863   119.43077    -4.16692
   53    49 S   CO3  _C18    51     1.54922   114.17429  -159.08742
   54    53 S   O2Z  _O38    52     1.26229   116.50990     7.16922
   55    53 S   O2Z  _O37    53     1.26589   114.70035  -173.51469
   56    51 S   C    _C11    56     1.38357   121.96141   175.41678
   57    56 S   O    _O35    57     1.22777   125.44154     2.15559
   58    56 S   CM   _C7_    58     1.49504   113.58478  -174.40332
   59    58 S   C5B  _C5_    59     1.43917   118.02827   108.61027
   60    58 S   CM   _C8_    68     1.34863   118.29748   -73.84454
   61    60 S   HC   _H10    69     1.09075   117.99796  -178.11571
   62    59 S   C5A  _C4_    60     1.38054   125.66444    -7.99090
   63    62 S   HA   _H7_    61     1.08112   129.45051     0.24708
   64    60 S   CT   _C9_    70     1.50238   128.57061     0.74362
   65    64 S   HC   _H11    71     1.09343   113.82035     1.56148
   66    64 S   HC   _H12    72     1.09607   109.13305  -117.76359
   67    62 S   SA   _S1_    62     1.71287   109.90560  -179.73607
   68    64 S   CO3  _C10    73     1.52554   107.47046   123.08498
   69    68 S   O2Z  _O34    74     1.26298   115.58566   -82.35807
   70    68 S   O2Z  _O33    75     1.26504   115.36118    97.92517
   71    67 S   CRA  _C6_    63     1.72378    89.92799     0.16193
   72    59 S   N5B  _N4_    64     1.38564   119.53561   172.59631
   73    71 S   NE   _N5_    65     1.34653   120.33041   179.96574
   74    73 S   H    _H8_    66     1.01407   121.41879  -179.96574
   75    73 S   H    _H9_    67     1.01387   122.00862     0.03956
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  13   8   2   1   1  10   4   3   8  12   6  10   6   8   7   2
   4   3   6   3   2   1   1   8   3  12   9   9   4   5   3   5
   4   3   5   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    47    46    49    50    53    54    55  
   38    39    40    41    46    49    50    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    49    50    53  
   40    41    42    49  
   41    42    49  
   42    43    44    45    47    46    49    51  
   43    44    45    47    48    46    49    50    53    51    52    56  
   44    45    47    46    49    51  
   45    47    48    46    49    51    52    56    57    58  
   47    48    46    51    52    56  
   49    50    53    54    55    51    47    48  
   48    49    50    53    51    52    56  
   49    51  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    60  
   56    57    58  
   54    55  
   55  
    0  
   57    58    59    62    72    60    61    64  
   58    59    60  
   59    62    63    67    71    72    60    61    64    65    66    68  
   62    63    67    71    72    73    60    61    64  
   61    64    65    66    68    69    70    62    72  
   64    65    66    68  
   63    67    71    72    73  
   67    71    72  
   65    66    68    69    70  
   66    68    69    70  
   68    69    70  
   71    72    73    74    75  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   73   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   222.000  1.810
   41    42   200.000  1.824
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   305.000  1.456
   44    45   340.000  1.090
   44    47   250.000  1.540
   44    51   337.000  1.449
   47    48   930.000  1.212
   47    46   440.000  1.369
   46    49   337.000  1.449
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   51    52   434.000  1.010
   51    56   490.000  1.335
   56    57   570.000  1.229
   56    58   410.000  1.444
   58    59   320.000  1.460
   58    60   549.000  1.340
   59    62   520.000  1.370
   59    72   410.000  1.394
   62    63   367.000  1.080
   62    67   265.000  1.745
   67    71   250.000  1.765
   71    72   488.000  1.335
   71    73   420.000  1.385
   73    74   434.000  1.010
   73    75   434.000  1.010
   60    61   340.000  1.080
   60    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   656.000  1.250
   68    70   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  111.63000
   33    49    46    80.00000  109.70000
   33    49    50    37.50000  110.70000
   33    49    53    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    85.00000   99.86700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    43    45.00000  109.41400
   41    42    44    65.00000  119.05700
   41    42    46    80.00000  108.62000
   42    44    45    37.50000  110.70000
   42    44    47   100.00000   86.36000
   42    44    51    80.00000  110.05700
   42    46    47   100.00000   93.00000
   42    46    49    50.00000  132.70000
   44    42    43    37.50000  110.70000
   44    47    48    60.00000  136.58000
   44    47    46    95.00000   92.72400
   44    51    52    38.00000  118.40000
   44    51    56    50.00000  121.90000
   47    44    45    40.00000  113.37500
   47    46    49    50.00000  132.10000
   46    42    43    50.00000  112.01000
   46    42    44   105.00000   87.49700
   46    47    48    75.00000  131.60000
   46    49    50    35.00000  109.50000
   46    49    53    63.00000  110.10000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   51    44    45    50.00000  112.01000
   51    44    47    75.00000  110.24000
   51    56    57    80.00000  122.90000
   51    56    58    80.00000  111.56200
   56    51    52    35.00000  119.80000
   56    58    59    75.00000  114.44000
   56    58    60    70.00000  118.70000
   58    56    57    80.00000  125.30000
   58    59    62    60.00000  120.93500
   58    59    72    70.00000  118.40000
   58    60    61    35.00000  120.00000
   58    60    64    70.00000  124.00000
   59    62    63    35.00000  130.70000
   59    62    67    80.00000  111.29200
   59    72    71    70.00000  110.00000
   62    67    71   120.00000   89.04400
   67    62    63    40.00000  122.38200
   67    71    72    80.00000  114.57700
   67    71    73    70.00000  122.29500
   71    73    74    35.00000  113.50000
   71    73    75    35.00000  113.50000
   72    59    62    70.00000  111.00000
   73    71    72    75.00000  125.31200
   75    73    74    35.00000  109.00000
   60    58    59    60.00000  123.20500
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    68    65.00000  111.94000
   64    60    61    35.00000  117.00000
   64    68    69    70.00000  117.00000
   64    68    70    70.00000  117.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   70    68    69    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.71400  1.0 1.0
   29    33    49    46   0.04300 -1.0 2.0
   29    33    49    46   0.01450  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53  -2.17200  1.0 1.0
   29    33    49    53  -0.85700 -1.0 2.0
   33    38    41    42  -0.25000 -1.0 2.0
   33    38    41    42  -0.01800  1.0 3.0
   33    49    53    54   0.00000  1.0 1.0
   33    49    53    55   0.00000  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.23200  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.03800  1.0 3.0
   38    33    49    46   0.42250  1.0 1.0
   38    33    49    46  -0.48100 -1.0 2.0
   38    33    49    46   0.35650  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.84850  1.0 1.0
   38    33    49    53  -0.22800 -1.0 2.0
   38    33    49    53   0.29250  1.0 3.0
   38    41    42    43   0.00000  1.0 1.0
   38    41    42    44   0.25150  1.0 1.0
   38    41    42    44  -1.17200 -1.0 2.0
   38    41    42    44   0.53050  1.0 3.0
   38    41   -42    46   0.01700  1.0 1.0
   38    41   -42    46  -0.23550 -1.0 2.0
   38    41   -42    46   0.21350  1.0 3.0
   39    38    41    42   0.32350  1.0 3.0
   40    38    41    42   0.32350  1.0 3.0
   41    42    44    45   0.00000  1.0 1.0
   41    42    44    47   0.00000  1.0 1.0
   41    42    44    51   0.00000  1.0 1.0
   41    42   -46    47   0.00000  1.0 1.0
   41    42    46    49   0.00000  1.0 1.0
   42    44    47    48  -0.11250  1.0 1.0
   42    44    47    48   0.11400 -1.0 2.0
   42    44    47    48  -0.28950  1.0 3.0
   42    44   -47    46   3.00000 -1.0 2.0
   42    44    51    52   0.00000  1.0 1.0
   42    44    51    56  -0.43950  1.0 1.0
   42    44    51    56  -0.08100 -1.0 2.0
   42    44    51    56   0.03350  1.0 3.0
   42    46   -49    33   0.00000  1.0 1.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.00000  1.0 1.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42   -46    47   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    42   -46    47   0.00000  1.0 1.0
   44    42    46    49   0.00000  1.0 1.0
   44    47   -46    42   3.00000 -1.0 2.0
   44    47   -46    49   3.00000 -1.0 2.0
   44    51    56    57   3.04450 -1.0 2.0
   44    51    56    58   1.49850  1.0 1.0
   44    51    56    58   1.53950 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    46   0.00000  1.0 1.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    56   0.00000  1.0 1.0
   47    44    51    52   0.00000  1.0 1.0
   47    44    51    56  -0.42300  1.0 1.0
   47    44    51    56  -0.07000 -1.0 2.0
   47    44    51    56   0.04150  1.0 3.0
   47    46    49    33   0.00000  1.0 1.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.00000  1.0 1.0
   48    47   -46    42   3.00000 -1.0 2.0
   48    47    46    49   3.00000 -1.0 2.0
   46    42   -44    45   0.15000  1.0 3.0
   46    42   -44    47   3.00000 -1.0 2.0
   46    42    44    51   2.20050  1.0 1.0
   46    42    44    51   0.63450 -1.0 2.0
   46    42    44    51  -0.91300  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    55   0.00000  1.0 1.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.44750  1.0 1.0
   49    33   -38    41  -0.17800 -1.0 2.0
   49    33   -38    41   0.20200  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   51    44    47    48   0.30150 -1.0 2.0
   51    44   -47    46   0.00000  1.0 1.0
   51    56    58    59   1.50000 -1.0 2.0
   51    56    58    60   0.49500  1.0 1.0
   51    56    58    60   1.31600 -1.0 2.0
   51    56    58    60  -0.02300  1.0 3.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    58   2.56700 -1.0 2.0
   56    58    59    62  -0.01750  1.0 1.0
   56    58    59    62  -0.32000 -1.0 2.0
   56    58    59    62   0.00600  1.0 3.0
   56    58    59    72  -0.01750  1.0 1.0
   56    58    59    72  -0.32000 -1.0 2.0
   56    58    59    72   0.00600  1.0 3.0
   56    58    60    61   7.00000 -1.0 2.0
   56    58    60    64   7.00000 -1.0 2.0
   57    56    58    59  -0.52200  1.0 1.0
   57    56    58    59   0.82950 -1.0 2.0
   57    56    58    60   1.00000 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    62    67   3.62500 -1.0 2.0
   58    59    72    71   3.62500 -1.0 2.0
   58    60    64    65   0.00000  1.0 1.0
   58    60    64    66   0.00000  1.0 1.0
   58    60    64    68  -0.51250  1.0 1.0
   58    60    64    68  -0.88800 -1.0 2.0
   58    60    64    68   0.08850  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    64   7.00000 -1.0 2.0
   59    62   -67    71   3.62500 -1.0 2.0
   62    59   -72    71   2.40000 -1.0 2.0
   62    67   -71    72   3.62500 -1.0 2.0
   62    67    71    73   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   67    71   -72    59   3.62500 -1.0 2.0
   67    71    73    74   0.47600 -1.0 2.0
   67    71    73    75   0.47600 -1.0 2.0
   72    59    62    63   3.62500 -1.0 2.0
   72    59   -62    67   3.62500 -1.0 2.0
   72    71    73    74   1.75000 -1.0 2.0
   72    71    73    75   1.75000 -1.0 2.0
   73    71    72    59   3.62500 -1.0 2.0
   60    58    59    62   0.15800  1.0 1.0
   60    58    59    62   1.85350 -1.0 2.0
   60    58    59    62  -0.48700  1.0 3.0
   60    58    59    72   0.11450  1.0 1.0
   60    58    59    72   1.85100 -1.0 2.0
   60    58    59    72  -0.49050  1.0 3.0
   60    64    68    69   0.30150 -1.0 2.0
   60    64    68    70   0.30150 -1.0 2.0
   61    60    64    65   0.33100  1.0 3.0
   61    60    64    66   0.33100  1.0 3.0
   61    60    64    68   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    70   0.00000  1.0 1.0
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
   44    46    47    48  10.50000 -1.0 2.0
   49    47    46    42   1.00000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   52    56    51    44   1.00000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   56    59    58    60  15.00000 -1.0 2.0
   62    72    59    58   4.00000 -1.0 2.0
   67    63    62    59   1.10000 -1.0 2.0
   72    73    71    67   4.00000 -1.0 2.0
   75    71    73    74   1.00000 -1.0 2.0
   64    61    60    58  15.00000 -1.0 2.0
   69    64    68    70  10.50000 -1.0 2.0
END
