* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    143    237     431
    1     0 S   NP   _N1_     1    28.89703    95.22642   -25.27296
    2     1 S   H    _HN1     2     1.02947    78.22065     5.32193
    3     1 S   H    _H1_     3     1.02827    28.87887  -174.63984
    4     1 S   H    _H2_     4     1.02796   118.29619   -99.35265
    5     1 S   CT   _CA1     5     1.50133   122.60503   112.16306
    6     5 S   HC   _HA1     6     1.09573   105.15660    88.94648
    7     5 S   CO3  _C1_     7     1.53772   112.43565   -31.27092
    8     7 S   O2Z  _O11     8     1.26381   115.00338   -42.97285
    9     7 S   O2Z  _O12     9     1.26232   114.94501   135.98183
   10     5 S   CT   _CB1    10     1.53052   107.39781  -153.08013
   11    10 S   HC   HB11    11     1.09842   109.35324   -49.10486
   12    10 S   HC   HB12    12     1.09811   110.47423    67.49351
   13    10 S   CT   _CG1    13     1.53023   112.63639  -170.01527
   14    13 S   HC   HG11    14     1.09567   110.75508   -67.19226
   15    13 S   HC   HG12    15     1.09668   109.68765    52.06311
   16    13 S   C    _CD1    16     1.51810   111.92017   172.58095
   17    16 S   O    _OE1    17     1.22765   123.14869    13.43173
   18    16 S   N    _N2_    18     1.38619   111.87943  -166.63002
   19    18 S   H    _HN2    19     1.01585   119.07879     0.73115
   20    18 S   CT1  _CA2    20     1.46239   123.40595   176.95940
   21    20 S   HC   _HA2    21     1.09739   109.22329     8.94483
   22    20 S   C    _C2_    22     1.53717   109.12431  -106.64493
   23    22 S   O    _O2_    23     1.23099   122.18259  -150.47451
   24    20 S   CT   _CB2    32     1.53426   111.56807   130.85352
   25    24 S   HC   HB21    33     1.09441   109.54405    57.50957
   26    24 S   HC   HB22    34     1.09406   109.85863   175.97416
   27    22 S   N    _N3_    24     1.38296   113.98925    37.07217
   28    27 S   H    _HN3    25     1.01530   119.62411    -3.29236
   29    24 S   S    _SG2    35     1.83073   111.15433   -63.72921
   30    27 S   CT   _CA3    26     1.45274   123.28964   177.19523
   31    30 S   HC   HA31    27     1.09547   107.52803   -64.60342
   32    30 S   HC   HA32    28     1.09556   107.98309    51.85215
   33    29 S   CT   _C9_    36     1.87328   100.88559  -178.96713
   34    30 S   CO3  _C3_    29     1.52976   114.04807   173.86007
   35    34 S   O2Z  _O31    30     1.26384   116.09386     0.18023
   36    34 S   O2Z  _O32    31     1.26427   114.41065  -179.76845
   37    33 S   CT   _C8_    37     1.57040   106.70595    66.68435
   38    37 S   HC   _H12    38     1.09692   111.91154     8.32244
   39    37 S   HC   _H13    39     1.09607   112.31565  -110.39493
   40    33 S   CT   _C14    51     1.59226   115.32283  -178.25426
   41    37 S   CT   _C7_    40     1.53490   107.89124   128.20957
   42    41 S   HC   _H3_    41     1.09571   109.81431    94.00013
   43    40 S   CM   _C12    52     1.54416   103.19599   145.82865
   44    40 S   CT   _C17    63     1.53667   116.50281    24.69279
   45    44 S   HC   _H18    64     1.09416   112.50722   -59.95577
   46    44 S   HC   _H19    65     1.09611   111.26562  -178.83064
   47    44 S   HC   _H20    66     1.09542   111.70487    61.24534
   48    41 S   CT   _C6_    42     1.53320   114.11801  -141.38614
   49    48 S   HC   _H10    43     1.09658   108.52195  -139.43936
   50    48 S   HC   _H11    44     1.09602   111.24198   -22.72836
   51    43 S   CT   _C11    53     1.51130   110.07103     3.30417
   52    51 S   HC   _H5_    54     1.09658   108.30996    90.89890
   53    43 S   CM   _C13    60     1.34181   125.69989  -174.50799
   54    53 S   HC   _H14    61     1.08402   121.55712    -1.88107
   55    53 S   HC   _H15    62     1.08469   121.18934   178.98606
   56    48 S   CT   _C5_    45     1.54561   106.48492   100.20714
   57    33 S   CT   _C10    55     1.58314   113.18322   -56.60547
   58    57 S   OM   _O34    56     1.33013   112.12228   -46.38495
   59    57 S   HC   _H4_    57     1.09978   108.16309    85.67835
   60    51 S   OH   _O33    58     1.42053   113.53495  -150.66413
   61    60 S   HO   _H21    59     0.97439   105.67247    84.79161
   62    56 S   CT   _C16    46     1.53703   104.93974   -10.53551
   63    62 S   HC   _H16    47     1.09446   110.27971   -88.32991
   64    62 S   HC   _H17    48     1.09477   113.52548   152.16836
   65    56 S   CO3  _C18    67     1.55766   108.92968   113.13112
   66    65 S   O2Z  _O36    68     1.26328   116.13411  -120.26459
   67    65 S   O2Z  _O35    69     1.26616   115.43831    59.81179
   68    56 S   CT   _C4_    70     1.53156   111.87311  -130.58701
   69    68 S   HC   _H7_    71     1.09609   111.12508    61.56597
   70    68 S   HC   _H8_    72     1.09589   112.05225   -58.14305
   71    68 S   HC   _H9_    73     1.09609   111.03246  -178.55938
   72    41 S   CT   _C15    49     1.52352   104.55892   -26.17944
   73    72 S   HC   _H6_    50     1.09798   110.22237   156.97483
  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
  22   2   1   1  18   7   6  23  15   7  17   9   3   2   1  15
   6   5  10   6   5   1   1  12   5   2   1   1   1  11   5   4
   7   2   1   4   2   1   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    72    40    43    51    57    58    59    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    48    62    72    73    40    43    51    52    57    58    59    60    53    44    45    46    47  
   35    36  
   36  
    0  
   38    39    41    42    48    49    50    56    62    72    73    40    43    51    57    58    59    44  
   39    41    42    48    72    40    57  
   41    42    48    72    40    57  
   43    51    52    57    58    59    60    53    54    55    44    45    46    47    41    42    48    56    62    63    64    72    73  
   42    48    49    50    56    62    63    64    72    73    43    57    44    65    68  
   48    49    50    56    62    72    73  
   51    52    57    58    59    60    61    53    54    55    44    45    46    47    62    72    73  
   45    46    47    51    53    57    62    72    73  
   46    47    72  
   47    72  
   72  
   49    50    56    62    63    64    72    73    65    66    67    68    69    70    71  
   50    56    62    72    65    68  
   56    62    72    65    68  
   52    57    58    59    60    61    53    54    55    72  
   57    58    59    60    61    53  
   54    55    57    60    72  
   55  
    0  
   62    63    64    72    73    65    66    67    68    69    70    71  
   58    59    60    61    72  
   59    60  
   60  
   61  
    0  
   63    64    72    73    65    66    67    68    69    70    71  
   64    72    73    65    68  
   72    73    65    68  
   66    67    68    69    70    71    72  
   67    68  
   68  
   69    70    71    72  
   70    71  
   71  
    0  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   268.000  1.529
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    72   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    62   268.000  1.529
   56    65   317.000  1.522
   56    68   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    72   268.000  1.529
   72    73   340.000  1.090
   72    40   268.000  1.529
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    51   317.000  1.510
   43    53   549.000  1.340
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   570.000  1.307
   57    59   340.000  1.090
   60    61   553.000  0.945
   53    54   340.000  1.080
   53    55   340.000  1.080
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    57    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    40    72    58.35000  112.70000
   33    40    43    70.00000  112.02700
   33    40    44    58.35000  112.70000
   33    57    51    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   37    41    42    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    41    72    58.35000  112.70000
   39    37    38    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    56    58.35000  112.70000
   41    72    62    58.35000  112.70000
   41    72    73    37.50000  110.70000
   41    72    40    58.35000  112.70000
   48    41    42    37.50000  110.70000
   48    56    62    58.35000  112.70000
   48    56    65    70.00000  109.69300
   48    56    68    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    72    58.35000  112.70000
   56    65    66    70.00000  117.00000
   56    65    67    70.00000  117.00000
   56    68    69    37.50000  110.70000
   56    68    70    37.50000  110.70000
   56    68    71    37.50000  110.70000
   62    72    73    37.50000  110.70000
   62    72    40    58.35000  112.70000
   64    62    63    33.00000  107.80000
   72    41    42    37.50000  110.70000
   72    41    48    58.35000  112.70000
   72    62    63    37.50000  110.70000
   72    62    64    37.50000  110.70000
   72    40    43    70.00000  112.02700
   72    40    44    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    43    51    65.00000  117.92700
   40    43    53    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   43    51    52    35.00000  109.50000
   43    51    57    70.00000  112.02700
   43    51    60    90.00000  110.39200
   43    53    54    35.00000  120.00000
   43    53    55    35.00000  120.00000
   51    57    58    50.00000  109.50000
   51    57    59    37.50000  110.70000
   51    60    61    55.00000  108.50000
   57    33    37    58.35000  112.70000
   57    33    40    58.35000  112.70000
   57    51    52    37.50000  110.70000
   59    57    58    45.00000  125.66300
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   53    43    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
   44    40    43    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   65    56    62    70.00000  109.69300
   67    65    66    80.00000  126.00000
   68    56    62    58.35000  112.70000
   68    56    65    70.00000  109.69300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   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    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    57    51   0.44750  1.0 1.0
   29    33    57    51  -0.17800 -1.0 2.0
   29    33    57    51   0.20200  1.0 3.0
   29    33    57    58   0.56750  1.0 1.0
   29    33    57    58  -0.07550 -1.0 2.0
   29    33    57    58   0.20000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    48   0.56750  1.0 1.0
   33    37    41    48  -0.07550 -1.0 2.0
   33    37    41    48   0.20000  1.0 3.0
   33    37   -41    72   0.56750  1.0 1.0
   33    37   -41    72  -0.07550 -1.0 2.0
   33    37   -41    72   0.20000  1.0 3.0
   33    40   -43    51   0.46850  1.0 1.0
   33    40   -43    51   0.08550 -1.0 2.0
   33    40   -43    51   0.09800  1.0 3.0
   33    40    43    53   0.09850  1.0 1.0
   33    40    43    53   0.15250 -1.0 2.0
   33    40    43    53  -0.50650  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  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    43   0.34400  1.0 1.0
   37    33    40    43   0.09450 -1.0 2.0
   37    33    40    43   0.11100  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    33    57    51   0.56750  1.0 1.0
   37    33    57    51  -0.07550 -1.0 2.0
   37    33    57    51   0.20000  1.0 3.0
   37    33    57    58   0.62750  1.0 1.0
   37    33    57    58  -0.30950 -1.0 2.0
   37    33    57    58   0.27300  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    41    48    49   0.15000  1.0 3.0
   37    41    48    50   0.15000  1.0 3.0
   37    41    48    56   0.56750  1.0 1.0
   37    41    48    56  -0.07550 -1.0 2.0
   37    41    48    56   0.20000  1.0 3.0
   37    41    72    62   0.56750  1.0 1.0
   37    41    72    62  -0.07550 -1.0 2.0
   37    41    72    62   0.20000  1.0 3.0
   37    41    72    73   0.15000  1.0 3.0
   37    41   -72    40   0.56750  1.0 1.0
   37    41   -72    40  -0.07550 -1.0 2.0
   37    41   -72    40   0.20000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    48   0.15000  1.0 3.0
   38    37    41    72   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    48   0.15000  1.0 3.0
   39    37    41    72   0.15000  1.0 3.0
   41    48   -56    62   0.56750  1.0 1.0
   41    48   -56    62  -0.07550 -1.0 2.0
   41    48   -56    62   0.20000  1.0 3.0
   41    48    56    65  -1.63150  1.0 1.0
   41    48    56    65  -0.43550 -1.0 2.0
   41    48    56    65   0.24500  1.0 3.0
   41    48    56    68   0.56750  1.0 1.0
   41    48    56    68  -0.07550 -1.0 2.0
   41    48    56    68   0.20000  1.0 3.0
   41    72   -40    33   0.56750  1.0 1.0
   41    72   -40    33  -0.07550 -1.0 2.0
   41    72   -40    33   0.20000  1.0 3.0
   41    72    40    43   0.34400  1.0 1.0
   41    72    40    43   0.09450 -1.0 2.0
   41    72    40    43   0.11100  1.0 3.0
   41    72    40    44   0.56750  1.0 1.0
   41    72    40    44  -0.07550 -1.0 2.0
   41    72    40    44   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    56   0.15000  1.0 3.0
   42    41    72    62   0.15000  1.0 3.0
   42    41    72    73   0.15000  1.0 3.0
   42    41    72    40   0.15000  1.0 3.0
   48    41   -72    62   0.56750  1.0 1.0
   48    41   -72    62  -0.07550 -1.0 2.0
   48    41   -72    62   0.20000  1.0 3.0
   48    41    72    73   0.15000  1.0 3.0
   48    41    72    40   0.56750  1.0 1.0
   48    41    72    40  -0.07550 -1.0 2.0
   48    41    72    40   0.20000  1.0 3.0
   48    56    62    63   0.15000  1.0 3.0
   48    56    62    64   0.15000  1.0 3.0
   48    56   -62    72   0.56750  1.0 1.0
   48    56   -62    72  -0.07550 -1.0 2.0
   48    56   -62    72   0.20000  1.0 3.0
   48    56    65    66   0.41150 -1.0 2.0
   48    56    65    67   0.41150 -1.0 2.0
   48    56    68    69   0.15000  1.0 3.0
   48    56    68    70   0.15000  1.0 3.0
   48    56    68    71   0.15000  1.0 3.0
   49    48    56    62   0.15000  1.0 3.0
   49    48    56    65  -0.11250  1.0 3.0
   49    48    56    68   0.15000  1.0 3.0
   50    48    56    62   0.15000  1.0 3.0
   50    48    56    65  -0.11250  1.0 3.0
   50    48    56    68   0.15000  1.0 3.0
   56    62   -72    41   0.56750  1.0 1.0
   56    62   -72    41  -0.07550 -1.0 2.0
   56    62   -72    41   0.20000  1.0 3.0
   56    62    72    73   0.15000  1.0 3.0
   56    62    72    40   0.56750  1.0 1.0
   56    62    72    40  -0.07550 -1.0 2.0
   56    62    72    40   0.20000  1.0 3.0
   62    56    65    66   0.41150 -1.0 2.0
   62    56    65    67   0.41150 -1.0 2.0
   62    56    68    69   0.15000  1.0 3.0
   62    56    68    70   0.15000  1.0 3.0
   62    56    68    71   0.15000  1.0 3.0
   62    72    40    33   0.56750  1.0 1.0
   62    72    40    33  -0.07550 -1.0 2.0
   62    72    40    33   0.20000  1.0 3.0
   62    72    40    43   0.34400  1.0 1.0
   62    72    40    43   0.09450 -1.0 2.0
   62    72    40    43   0.11100  1.0 3.0
   62    72    40    44   0.56750  1.0 1.0
   62    72    40    44  -0.07550 -1.0 2.0
   62    72    40    44   0.20000  1.0 3.0
   63    62    72    41   0.15000  1.0 3.0
   63    62    72    73   0.15000  1.0 3.0
   63    62    72    40   0.15000  1.0 3.0
   64    62    72    41   0.15000  1.0 3.0
   64    62    72    73   0.15000  1.0 3.0
   64    62    72    40   0.15000  1.0 3.0
   72    41    48    49   0.15000  1.0 3.0
   72    41    48    50   0.15000  1.0 3.0
   72    41   -48    56   0.56750  1.0 1.0
   72    41   -48    56  -0.07550 -1.0 2.0
   72    41   -48    56   0.20000  1.0 3.0
   72    40    43    51   0.46850  1.0 1.0
   72    40    43    51   0.08550 -1.0 2.0
   72    40    43    51   0.09800  1.0 3.0
   72    40    43    53   0.09850  1.0 1.0
   72    40    43    53   0.15250 -1.0 2.0
   72    40    43    53  -0.50650  1.0 3.0
   72    40    44    45   0.15000  1.0 3.0
   72    40    44    46   0.15000  1.0 3.0
   72    40    44    47   0.15000  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    43   0.15000  1.0 3.0
   73    72    40    44   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    41   0.56750  1.0 1.0
   40    33   -37    41  -0.07550 -1.0 2.0
   40    33   -37    41   0.20000  1.0 3.0
   40    33   -57    51   0.56750  1.0 1.0
   40    33   -57    51  -0.07550 -1.0 2.0
   40    33   -57    51   0.20000  1.0 3.0
   40    33    57    58   0.62750  1.0 1.0
   40    33    57    58  -0.30950 -1.0 2.0
   40    33    57    58   0.27300  1.0 3.0
   40    33    57    59   0.15000  1.0 3.0
   40    43    51    52   0.34800  1.0 3.0
   40    43   -51    57   0.46850  1.0 1.0
   40    43   -51    57   0.08550 -1.0 2.0
   40    43   -51    57   0.09800  1.0 3.0
   40    43    51    60   0.18000  1.0 1.0
   40    43    51    60   0.16450 -1.0 2.0
   40    43    51    60   0.04450  1.0 3.0
   40    43    53    54   7.00000 -1.0 2.0
   40    43    53    55   7.00000 -1.0 2.0
   43    40    44    45   0.15000  1.0 3.0
   43    40    44    46   0.15000  1.0 3.0
   43    40    44    47   0.15000  1.0 3.0
   43    51   -57    33   0.34400  1.0 1.0
   43    51   -57    33   0.09450 -1.0 2.0
   43    51   -57    33   0.11100  1.0 3.0
   43    51    57    58   0.61850  1.0 1.0
   43    51    57    58  -0.22750 -1.0 2.0
   43    51    57    58   0.15300  1.0 3.0
   43    51    57    59   0.15000  1.0 3.0
   43    51    60    61  -0.07800  1.0 1.0
   43    51    60    61  -0.21500 -1.0 2.0
   43    51    60    61  -0.03150  1.0 3.0
   51    43    53    54   7.00000 -1.0 2.0
   51    43    53    55   7.00000 -1.0 2.0
   52    51    57    33   0.15000  1.0 3.0
   52    51    57    58   0.23400  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33    37    41   0.56750  1.0 1.0
   57    33    37    41  -0.07550 -1.0 2.0
   57    33    37    41   0.20000  1.0 3.0
   57    33    40    72   0.56750  1.0 1.0
   57    33    40    72  -0.07550 -1.0 2.0
   57    33    40    72   0.20000  1.0 3.0
   57    33   -40    43   0.34400  1.0 1.0
   57    33   -40    43   0.09450 -1.0 2.0
   57    33   -40    43   0.11100  1.0 3.0
   57    33    40    44   0.56750  1.0 1.0
   57    33    40    44  -0.07550 -1.0 2.0
   57    33    40    44   0.20000  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   60    51    57    33   0.86500  1.0 1.0
   60    51    57    33  -0.17500 -1.0 2.0
   60    51    57    33   0.20800  1.0 3.0
   60    51    57    58   3.69350  1.0 1.0
   60    51    57    58  -1.82950 -1.0 2.0
   60    51    57    59   0.23400  1.0 3.0
   53    43    51    52   0.00000  1.0 1.0
   53    43    51    57   0.09850  1.0 1.0
   53    43    51    57   0.15250 -1.0 2.0
   53    43    51    57  -0.50650  1.0 3.0
   53    43    51    60   0.67800  1.0 1.0
   53    43    51    60   0.47050 -1.0 2.0
   53    43    51    60  -0.62500  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    53   0.09850  1.0 1.0
   44    40    43    53   0.15250 -1.0 2.0
   44    40    43    53  -0.50650  1.0 3.0
   65    56    62    63  -0.11250  1.0 3.0
   65    56    62    64  -0.11250  1.0 3.0
   65    56    62    72  -1.63150  1.0 1.0
   65    56    62    72  -0.43550 -1.0 2.0
   65    56    62    72   0.24500  1.0 3.0
   65    56    68    69  -0.11250  1.0 3.0
   65    56    68    70  -0.11250  1.0 3.0
   65    56    68    71  -0.11250  1.0 3.0
   68    56    62    63   0.15000  1.0 3.0
   68    56    62    64   0.15000  1.0 3.0
   68    56    62    72   0.56750  1.0 1.0
   68    56    62    72  -0.07550 -1.0 2.0
   68    56    62    72   0.20000  1.0 3.0
   68    56    65    66   0.41150 -1.0 2.0
   68    56    65    67   0.41150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    51    43    53   1.10000 -1.0 2.0
   54    55    53    43   1.10000 -1.0 2.0
   66    56    65    67  10.50000 -1.0 2.0
END
