* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    225     420
    1     0 S   NP   _N1_     1    28.79334    94.72172   -22.64047
    2     1 S   H    _HN1     2     1.02832    30.24914   165.69306
    3     1 S   H    _H1_     3     1.02786   100.42827   -86.63575
    4     1 S   H    _H2_     4     1.02950    82.36594    20.70319
    5     1 S   CT   _CA1     5     1.50113   137.69650   132.79759
    6     5 S   HC   _HA1     6     1.09575   105.19949    76.33169
    7     5 S   CO3  _C1_     7     1.53741   112.33091   -43.87942
    8     7 S   O2Z  _O11     8     1.26374   115.02110   -45.72736
    9     7 S   O2Z  _O12     9     1.26230   114.91983   133.32254
   10     5 S   CT   _CB1    10     1.53057   107.41049  -165.77350
   11    10 S   HC   HB11    11     1.09832   109.31372   -50.17175
   12    10 S   HC   HB12    12     1.09813   110.49516    66.40994
   13    10 S   CT   _CG1    13     1.52989   112.62645  -171.17083
   14    13 S   HC   HG11    14     1.09600   110.59618   -65.72651
   15    13 S   HC   HG12    15     1.09665   109.85836    53.51671
   16    13 S   C    _CD1    16     1.51820   112.14696   173.89125
   17    16 S   O    _OE1    17     1.22737   123.26781     5.32182
   18    16 S   N    _N2_    18     1.38553   111.64866  -174.82600
   19    18 S   H    _HN2    19     1.01593   119.02698     1.16835
   20    18 S   CT1  _CA2    20     1.46255   123.54701   179.12018
   21    20 S   HC   _HA2    21     1.09736   109.36243    -2.04641
   22    20 S   C    _C2_    22     1.53491   108.71037  -117.52672
   23    22 S   O    _O2_    23     1.23053   122.32795  -150.23464
   24    20 S   CT   _CB2    32     1.53400   111.25976   119.97328
   25    24 S   HC   HB21    33     1.09243   109.37468    56.25098
   26    24 S   HC   HB22    34     1.09483   110.29235   174.80801
   27    22 S   N    _N3_    24     1.38362   113.64596    37.43059
   28    27 S   H    _HN3    25     1.01605   119.46948    -3.74340
   29    24 S   S    _SG2    35     1.82855   110.88776   -66.12286
   30    27 S   CT   _CA3    26     1.45265   123.18771   177.00147
   31    30 S   HC   HA31    27     1.09550   107.55292   -63.65600
   32    30 S   HC   HA32    28     1.09559   107.92773    52.75866
   33    29 S   CT   _C5_    36     1.87198   102.08780   156.15026
   34    30 S   CO3  _C3_    29     1.52941   114.11840   174.76041
   35    34 S   O2Z  _O31    30     1.26370   116.08887     0.53632
   36    34 S   O2Z  _O32    31     1.26432   114.40399  -179.42973
   37    33 S   CT   _C6_    37     1.58669   105.05805   169.02092
   38    37 S   HC   _H10    38     1.10026   108.97182   -49.51255
   39    37 S   HC   _H11    39     1.09854   108.14310  -162.05396
   40    33 S   CT   _C14    60     1.61758   115.68483   -68.98641
   41    40 S   OM   _O34    61     1.32648   110.57369   101.93485
   42    40 S   HC   _H6_    62     1.09278   103.62297  -133.01019
   43    33 S   CT   _C4_    71     1.55846   106.78472    59.16232
   44    43 S   HC   _H7_    72     1.09496   113.07360   -65.34580
   45    43 S   HC   _H8_    73     1.09710   110.75772   174.20492
   46    43 S   HC   _H9_    74     1.09732   111.59019    55.52072
   47    37 S   CT   _C7_    40     1.54445   118.08260    73.52252
   48    47 S   HC   _H12    41     1.09719   108.53572  -127.08384
   49    47 S   HC   _H13    42     1.08928   109.87519   -12.69330
   50    47 S   CT   _C8_    43     1.54310   112.40356   111.29739
   51    50 S   HC   _H3_    44     1.09919   109.71860   -19.23503
   52    50 S   CM   _C17    45     1.49016   118.95719   102.93955
   53    52 S   CO4  _C16    46     1.48271   107.66153   150.65748
   54    53 S   O    _O36    47     1.21753   126.98170   167.84505
   55    52 S   CM   _C18    68     1.33518   130.28114   -28.80063
   56    55 S   HC   _H21    69     1.08465   121.13438    -0.78484
   57    55 S   HC   _H22    70     1.08521   121.59327   179.64834
   58    53 S   OS   _O35    48     1.36747   107.11635   -10.61018
   59    50 S   CT   _C9_    49     1.53215   113.70675  -141.01238
   60    59 S   HC   _H4_    50     1.09613   111.97999   -45.65488
   61    59 S   C3T  _C10    51     1.48918   109.46957    80.12966
   62    61 S   HC   _H5_    52     1.08307   112.69515    46.27084
   63    61 S   C3T  _C11    53     1.51856   118.70925  -103.00644
   64    63 S   CT   _C12    54     1.50697   114.84654   138.24058
   65    64 S   HC   _H14    55     1.09692   108.38907   153.34538
   66    64 S   HC   _H15    56     1.09620   111.82110    36.32248
   67    61 S   O3T  _O33    63     1.42461   122.07194  -171.89753
   68    63 S   CT   _C15    64     1.50561   124.46071   -18.99223
   69    68 S   HC   _H18    65     1.09542   112.09455   -40.42200
   70    68 S   HC   _H19    66     1.09439   110.12029  -159.39341
   71    68 S   HC   _H20    67     1.09282   111.67163    80.61048
   72    64 S   CT   _C13    57     1.55210   110.53651   -87.58398
   73    72 S   HC   _H16    58     1.10031   107.33611  -150.58639
   74    72 S   HC   _H17    59     1.09171   107.38170   -37.76686
  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  13   5   4   3
  18   2   1   1  17   7   6  14   6   5   5   2   1   1  11   5
   4  14   7   9   8   3   4   1   1   6   7   4  11   4  11  10
   6   5   5   4   2   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    72    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    64    72    73    74    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    59    72    40    41    42    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    63    64    65    66    72    73    74  
   42    43    64    72    73    74  
   43    64    72    73    74  
   44    45    46    47    72  
   45    46  
   46  
    0  
   48    49    50    51    52    53    58    59    60    61    55  
   49    50    51    52    59  
   50    51    52    59  
   51    52    53    54    58    59    60    61    62    63    67    55    56    57  
   52    53    58    59    60    61    55  
   53    54    58    59    60    61    55    56    57  
   54    58    59    60    61    55    56    57  
   58    59    55  
   56    57    58    59  
   57  
    0  
   59    60    61    62    63    67  
   60    61    62    63    64    67    68  
   61    62    63    67  
   62    63    64    65    66    72    67    68    69    70    71  
   63    64    67    68  
   64    65    66    72    73    74    67    68    69    70    71  
   65    66    72    73    74    67    68    69    70    71  
   66    72    73    74    67    68  
   72    73    74    67    68  
   68    69    70    71    72  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    59   268.000  1.529
   52    53   320.000  1.462
   52    55   549.000  1.340
   53    54   570.000  1.229
   53    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   275.000  1.510
   61    62   340.000  1.088
   61    63   260.000  1.509
   61    67   335.000  1.432
   63    64   275.000  1.510
   63    67   335.000  1.432
   63    68   275.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.080
   55    57   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    72    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    58.35000  112.70000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    70.00000  112.02700
   47    50    59    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    65.00000  116.34900
   50    52    55    70.00000  124.00000
   50    59    58    50.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    61    70.00000  112.37300
   52    50    51    35.00000  109.50000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  120.00000
   52    55    57    35.00000  120.00000
   53    58    59    83.00000  116.90000
   58    53    54    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    52    70.00000  112.02700
   59    61    62    40.00000  115.04500
   59    61    63    60.00000  120.94000
   59    61    67    80.00000  116.47100
   61    59    60    45.00000  109.38400
   61    63    64    60.00000  120.94000
   61    63    67    15.00000   60.43100
   61    63    68    60.00000  120.94000
   61    67    63    15.00000   59.14900
   63    61    62    37.50000  117.20000
   63    64    65    45.00000  109.38400
   63    64    66    45.00000  109.38400
   63    64    72    70.00000  112.37300
   63    68    69    45.00000  109.38400
   63    68    70    45.00000  109.38400
   63    68    71    45.00000  109.38400
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    40    41    50.00000  109.50000
   72    40    42    37.50000  110.70000
   74    72    73    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   42    40    41    45.00000  125.66300
   67    61    62    50.00000  114.27700
   67    61    63    15.00000   60.43100
   67    63    64    80.00000  116.47100
   68    63    64    58.35000  112.70000
   68    63    67    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    52    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.56750  1.0 1.0
   33    37    47    50  -0.07550 -1.0 2.0
   33    37    47    50   0.20000  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.34400  1.0 1.0
   37    47    50    52   0.09450 -1.0 2.0
   37    47    50    52   0.11100  1.0 3.0
   37    47    50    59   0.56750  1.0 1.0
   37    47    50    59  -0.07550 -1.0 2.0
   37    47    50    59   0.20000  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   0.09700  1.0 1.0
   47    50    52    53   0.15600 -1.0 2.0
   47    50    52    53  -0.50800  1.0 3.0
   47    50    52    55   0.09850  1.0 1.0
   47    50    52    55   0.15250 -1.0 2.0
   47    50    52    55  -0.50650  1.0 3.0
   47    50    59    58   0.62750  1.0 1.0
   47    50    59    58  -0.30950 -1.0 2.0
   47    50    59    58   0.27300  1.0 3.0
   47    50    59    60   0.15000  1.0 3.0
   47    50    59    61   0.47050  1.0 1.0
   47    50    59    61   0.03900 -1.0 2.0
   47    50    59    61   0.20100  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    59   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    59   0.15000  1.0 3.0
   50    52    53    54  -0.64400  1.0 1.0
   50    52    53    54   0.26850 -1.0 2.0
   50    52   -53    58  -0.15000  1.0 1.0
   50    52   -53    58   0.89550 -1.0 2.0
   50    52   -53    58  -0.06900  1.0 3.0
   50    52    55    56   7.00000 -1.0 2.0
   50    52    55    57   7.00000 -1.0 2.0
   50    59    61    62   0.15000  1.0 3.0
   50    59    61    63   0.07850  1.0 1.0
   50    59    61    63  -0.03950 -1.0 2.0
   50    59    61    63   0.67350  1.0 3.0
   50    59    61    67   0.02550  1.0 1.0
   50    59    61    67  -0.02600 -1.0 2.0
   50    59    61    67   1.20400  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    59    58   0.23400  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   52    50   -59    58   0.61850  1.0 1.0
   52    50   -59    58  -0.22750 -1.0 2.0
   52    50   -59    58   0.15300  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    61   0.34400  1.0 1.0
   52    50    59    61   0.09450 -1.0 2.0
   52    50    59    61   0.11100  1.0 3.0
   52    53   -58    59   2.00000 -1.0 2.0
   53    52    55    56   7.00000 -1.0 2.0
   53    52    55    57   7.00000 -1.0 2.0
   53    58   -59    50  -0.25900  1.0 1.0
   53    58   -59    50  -0.47000 -1.0 2.0
   53    58   -59    50   0.11750  1.0 3.0
   53    58    59    60   0.08050  1.0 3.0
   53    58    59    61  -0.25900  1.0 1.0
   53    58    59    61  -0.47000 -1.0 2.0
   53    58    59    61   0.11750  1.0 3.0
   54    53    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63  -0.26800  1.0 1.0
   58    59    61    63   0.69150 -1.0 2.0
   58    59    61    63  -0.48750  1.0 3.0
   58    59    61    67   1.11900  1.0 1.0
   58    59    61    67  -1.16350 -1.0 2.0
   58    59    61    67  -0.34150  1.0 3.0
   59    50   -52    53   0.09700  1.0 1.0
   59    50   -52    53   0.15600 -1.0 2.0
   59    50   -52    53  -0.50800  1.0 3.0
   59    50    52    55   0.09850  1.0 1.0
   59    50    52    55   0.15250 -1.0 2.0
   59    50    52    55  -0.50650  1.0 3.0
   59    61    63    64   0.56750  1.0 1.0
   59    61    63    64  -0.07550 -1.0 2.0
   59    61    63    64   0.20000  1.0 3.0
   59    61   -63    67   0.02550  1.0 1.0
   59    61   -63    67  -0.02600 -1.0 2.0
   59    61   -63    67   1.20400  1.0 3.0
   59    61    63    68   0.56750  1.0 1.0
   59    61    63    68  -0.07550 -1.0 2.0
   59    61    63    68   0.20000  1.0 3.0
   59    61   -67    63   0.06250  1.0 1.0
   59    61   -67    63  -0.01100 -1.0 2.0
   59    61   -67    63   0.28050  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   61    63    64    65   0.15000  1.0 3.0
   61    63    64    66   0.15000  1.0 3.0
   61    63    64    72   0.07850  1.0 1.0
   61    63    64    72  -0.03950 -1.0 2.0
   61    63    64    72   0.67350  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70   0.15000  1.0 3.0
   61    63    68    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61   -63    67   0.23400  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61   -67    63   0.36800  1.0 3.0
   63    64    72    73   0.15000  1.0 3.0
   63    64    72    74   0.15000  1.0 3.0
   63    64    72    40   0.47050  1.0 1.0
   63    64    72    40   0.03900 -1.0 2.0
   63    64    72    40   0.20100  1.0 3.0
   64    63   -67    61   0.06250  1.0 1.0
   64    63   -67    61  -0.01100 -1.0 2.0
   64    63   -67    61   0.28050  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   64    72    40    33   0.56750  1.0 1.0
   64    72    40    33  -0.07550 -1.0 2.0
   64    72    40    33   0.20000  1.0 3.0
   64    72    40    41   0.62750  1.0 1.0
   64    72    40    41  -0.30950 -1.0 2.0
   64    72    40    41   0.27300  1.0 3.0
   64    72    40    42   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    40   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    40   0.15000  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.23400  1.0 3.0
   73    72    40    42   0.15000  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    41   0.23400  1.0 3.0
   74    72    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   67    61   -63    64   0.02550  1.0 1.0
   67    61   -63    64  -0.02600 -1.0 2.0
   67    61   -63    64   1.20400  1.0 3.0
   67    61   -63    68   0.02550  1.0 1.0
   67    61   -63    68  -0.02600 -1.0 2.0
   67    61   -63    68   1.20400  1.0 3.0
   67    63    64    65   0.23400  1.0 3.0
   67    63    64    66   0.23400  1.0 3.0
   67    63    64    72   0.02550  1.0 1.0
   67    63    64    72  -0.02600 -1.0 2.0
   67    63    64    72   1.20400  1.0 3.0
   67    63    68    69   0.23400  1.0 3.0
   67    63    68    70   0.23400  1.0 3.0
   67    63    68    71   0.23400  1.0 3.0
   68    63    64    65   0.15000  1.0 3.0
   68    63    64    66   0.15000  1.0 3.0
   68    63    64    72   0.56750  1.0 1.0
   68    63    64    72  -0.07550 -1.0 2.0
   68    63    64    72   0.20000  1.0 3.0
   68    63   -67    61   0.06250  1.0 1.0
   68    63   -67    61  -0.01100 -1.0 2.0
   68    63   -67    61   0.28050  1.0 3.0
   55    52    53    54   1.00000 -1.0 2.0
   55    52    53    58  -0.56150  1.0 1.0
   55    52    53    58   2.19150 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    72   0.56750  1.0 1.0
   43    33    40    72  -0.07550 -1.0 2.0
   43    33    40    72   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   50    53    52    55   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   56    57    55    52   1.10000 -1.0 2.0
END
