* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    145    233     432
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081    59.15609    82.75016
    3     1 S   H    _H1_     3     1.02132    52.97867  -120.80397
    4     1 S   H    _H2_     4     1.02041   106.49648   -19.56566
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.86511    96.37792  -178.11674
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.53742   107.19567   -40.03239
   38    33 S   CT   _C14    57     1.61045   114.44308  -160.72332
   39    33 S   CT   _C16    70     1.55242   101.52534    80.15809
   40    39 S   HC   _H31    71     1.08016   108.66027    64.97943
   41    39 S   HC   _H32    72     1.08119   108.67518   -55.06689
   42    39 S   HC   _H33    73     1.08146   108.61243  -175.04761
   43    37 S   CMA  _C5_    38     1.35416   129.44068   106.87237
   44    43 S   OM   _O16    39     1.25733   136.51743    -7.78452
   45    38 S   CT   _C17    58     1.56129   110.43532  -155.05631
   46    45 S   HC   _H34    59     1.07746   108.07714    57.54755
   47    45 S   HC   _H35    60     1.07866   107.99196   -62.38810
   48    45 S   HC   _H36    61     1.07693   108.07565   177.66359
   49    38 S   CT   _C18    62     1.55152   113.23191   -37.98361
   50    49 S   HC   _H37    63     1.08046   108.64195   -53.88985
   51    49 S   HC   _H38    64     1.08064   108.56773  -173.88522
   52    49 S   HC   _H39    65     1.08101   108.60039    66.11786
   53    43 S   CT   _C6_    40     1.51616   110.07908   167.01741
   54    53 S   HC   _H18    41     1.10136   110.25515   138.37465
   55    53 S   HC   _H19    42     1.10024   113.08856  -100.58537
   56    53 S   CT   _C11    43     1.53310   104.42041    18.47094
   57    56 S   HC   _H27    44     1.05790   109.49933  -144.90127
   58    37 S   CT   _C12    45     1.53521   118.89616   -84.07850
   59    56 S   CT   _C15    66     1.53672   109.32066    96.44627
   60    59 S   HC   _H28    67     1.09063   110.07139   -60.68685
   61    59 S   HC   _H29    68     1.09096   110.04670   179.35169
   62    59 S   HC   _H30    69     1.09030   110.06212    59.33850
   63    58 S   CT   _C8_    46     1.54093   117.27988    48.32135
   64    63 S   HC   _H22    47     1.10056   111.73433   160.30672
   65    63 S   HC   _H23    48     1.09964   113.17282    40.59701
   66    63 S   CT   _C7_    49     1.53335   105.53049   -82.51789
   67    66 S   HC   _H20    50     1.09051   112.61511   123.98741
   68    66 S   HC   _H21    51     1.09642   108.74134  -118.42675
   69    66 S   CT   _C10    52     1.53716   105.27882    -1.31982
   70    69 S   HC   _H26    53     1.09714   109.74569  -145.94349
   71    58 S   CT   _C9_    54     1.52911   105.73622   -62.98203
   72    71 S   HC   _H24    55     1.08803   113.65708   -49.49743
   73    71 S   HC   _H25    56     1.09518   111.08879  -170.73685
  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  12   5   4   3
  24   2   1   1  24  23   8   2   1   1  10   5  11   4   3   2
   7   3   2   1  11   5   4  14   7  15   5   2   1   1  10   6
   5   7   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    58    69    38    45    49    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    53    56    58    63    66    69    70    71    38    45    46    47    48    49    50    51    52    39    40    41    42  
   35    36  
   36  
    0  
   43    44    53    54    55    56    57    58    63    64    65    66    69    71    72    73    38    45    49    59    39    40    41    42  
   45    46    47    48    49    50    51    52    39    40    41    42    43    58    63    66    67    68    69    70    71    72    73  
   40    41    42    43    45    49    58    69  
   41    42  
   42  
    0  
   44    53    54    55    56    57    58    63    71    59  
   53    54    55    56    58  
   46    47    48    49    50    51    52    66    69    70    71  
   47    48    49    69  
   48    49    69  
   49    69  
   50    51    52    66    69    70    71  
   51    52    69  
   52    69  
   69  
   54    55    56    57    58    63    71    59    60    61    62  
   55    56    57    58    59  
   56    57    58    59  
   57    58    63    64    65    66    69    71    72    73    59    60    61    62  
   58    63    71    59    60    61    62  
   63    64    65    66    67    68    69    70    71    72    73    59    60    61    62  
   60    61    62    63    71  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    72    73  
   65    66    67    68    69    71  
   66    67    68    69    71  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71  
   70    71    72    73  
   71    72    73  
   72    73  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   317.000  1.510
   33    38   268.000  1.529
   33    39   268.000  1.529
   37    43   465.000  1.376
   37    58   317.000  1.510
   43    44   745.000  1.250
   43    53   270.000  1.512
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    59   268.000  1.529
   58    63   268.000  1.529
   58    71   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    38   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   38    45   268.000  1.529
   38    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    43    70.00000  124.00000
   33    37    58    65.00000  117.92700
   33    38    69    58.35000  112.70000
   33    38    45    58.35000  112.70000
   33    38    49    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    53    65.00000  122.18000
   37    58    56    70.00000  112.02700
   37    58    63    70.00000  112.02700
   37    58    71    70.00000  112.02700
   43    53    54    45.00000  110.52000
   43    53    55    45.00000  110.52000
   43    53    56    70.00000  112.02700
   53    43    44    85.00000  112.85300
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    63    58.35000  112.70000
   56    58    71    58.35000  112.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   58    37    43    70.00000  124.00000
   58    56    57    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    58.35000  112.70000
   58    71    69    58.35000  112.70000
   58    71    72    37.50000  110.70000
   58    71    73    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    38    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    38    45    58.35000  112.70000
   69    38    49    58.35000  112.70000
   71    58    63    58.35000  112.70000
   71    69    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    69    70    37.50000  110.70000
   38    69    71    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    45    48    37.50000  110.70000
   38    49    50    37.50000  110.70000
   38    49    51    37.50000  110.70000
   38    49    52    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    38    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    37    58   0.30250  1.0 1.0
   29    33    37    58  -0.14950 -1.0 2.0
   29    33    37    58   0.36900  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    38    49   0.44750  1.0 1.0
   29    33    38    49  -0.17800 -1.0 2.0
   29    33    38    49   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    53   7.00000 -1.0 2.0
   33    37    58    56   0.46850  1.0 1.0
   33    37    58    56   0.08550 -1.0 2.0
   33    37    58    56   0.09800  1.0 3.0
   33    37    58    63   0.46850  1.0 1.0
   33    37    58    63   0.08550 -1.0 2.0
   33    37    58    63   0.09800  1.0 3.0
   33    37    58    71   0.46850  1.0 1.0
   33    37    58    71   0.08550 -1.0 2.0
   33    37    58    71   0.09800  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    45    48   0.15000  1.0 3.0
   33    38    49    50   0.15000  1.0 3.0
   33    38    49    51   0.15000  1.0 3.0
   33    38    49    52   0.15000  1.0 3.0
   37    33    38    69   0.34400  1.0 1.0
   37    33    38    69   0.09450 -1.0 2.0
   37    33    38    69   0.11100  1.0 3.0
   37    33    38    45   0.34400  1.0 1.0
   37    33    38    45   0.09450 -1.0 2.0
   37    33    38    45   0.11100  1.0 3.0
   37    33    38    49   0.34400  1.0 1.0
   37    33    38    49   0.09450 -1.0 2.0
   37    33    38    49   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    53    54   0.00000  1.0 1.0
   37    43    53    55   0.00000  1.0 1.0
   37    43   -53    56   0.09850  1.0 1.0
   37    43   -53    56   0.15250 -1.0 2.0
   37    43   -53    56  -0.50650  1.0 3.0
   37    58    63    64   0.15000  1.0 3.0
   37    58    63    65   0.15000  1.0 3.0
   37    58    63    66   0.34400  1.0 1.0
   37    58    63    66   0.09450 -1.0 2.0
   37    58    63    66   0.11100  1.0 3.0
   37    58   -71    69   0.34400  1.0 1.0
   37    58   -71    69   0.09450 -1.0 2.0
   37    58   -71    69   0.11100  1.0 3.0
   37    58    71    72   0.15000  1.0 3.0
   37    58    71    73   0.15000  1.0 3.0
   43    37   -58    56   0.09850  1.0 1.0
   43    37   -58    56   0.15250 -1.0 2.0
   43    37   -58    56  -0.50650  1.0 3.0
   43    37    58    63   0.09850  1.0 1.0
   43    37    58    63   0.15250 -1.0 2.0
   43    37    58    63  -0.50650  1.0 3.0
   43    37    58    71   0.09850  1.0 1.0
   43    37    58    71   0.15250 -1.0 2.0
   43    37    58    71  -0.50650  1.0 3.0
   43    53    56    57   0.15000  1.0 3.0
   43    53   -56    58   0.34400  1.0 1.0
   43    53   -56    58   0.09450 -1.0 2.0
   43    53   -56    58   0.11100  1.0 3.0
   43    53    56    59   0.34400  1.0 1.0
   43    53    56    59   0.09450 -1.0 2.0
   43    53    56    59   0.11100  1.0 3.0
   44    43    53    54   0.00000  1.0 1.0
   44    43    53    55   0.00000  1.0 1.0
   44    43    53    56   0.09700  1.0 1.0
   44    43    53    56   0.15600 -1.0 2.0
   44    43    53    56  -0.50800  1.0 3.0
   53    56   -58    37   0.34400  1.0 1.0
   53    56   -58    37   0.09450 -1.0 2.0
   53    56   -58    37   0.11100  1.0 3.0
   53    56    58    63   0.56750  1.0 1.0
   53    56    58    63  -0.07550 -1.0 2.0
   53    56    58    63   0.20000  1.0 3.0
   53    56    58    71   0.56750  1.0 1.0
   53    56    58    71  -0.07550 -1.0 2.0
   53    56    58    71   0.20000  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61   0.15000  1.0 3.0
   53    56    59    62   0.15000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    58    63    64   0.15000  1.0 3.0
   56    58    63    65   0.15000  1.0 3.0
   56    58    63    66   0.56750  1.0 1.0
   56    58    63    66  -0.07550 -1.0 2.0
   56    58    63    66   0.20000  1.0 3.0
   56    58    71    69   0.56750  1.0 1.0
   56    58    71    69  -0.07550 -1.0 2.0
   56    58    71    69   0.20000  1.0 3.0
   56    58    71    72   0.15000  1.0 3.0
   56    58    71    73   0.15000  1.0 3.0
   57    56    58    37   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    58    71   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    37    43    44   7.00000 -1.0 2.0
   58    37   -43    53   7.00000 -1.0 2.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63   -66    69   0.56750  1.0 1.0
   58    63   -66    69  -0.07550 -1.0 2.0
   58    63   -66    69   0.20000  1.0 3.0
   63    58   -71    69   0.56750  1.0 1.0
   63    58   -71    69  -0.07550 -1.0 2.0
   63    58   -71    69   0.20000  1.0 3.0
   63    58    71    72   0.15000  1.0 3.0
   63    58    71    73   0.15000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66   -69    71   0.56750  1.0 1.0
   63    66   -69    71  -0.07550 -1.0 2.0
   63    66   -69    71   0.20000  1.0 3.0
   63    66    69    38   0.56750  1.0 1.0
   63    66    69    38  -0.07550 -1.0 2.0
   63    66    69    38   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69   -71    58   0.56750  1.0 1.0
   66    69   -71    58  -0.07550 -1.0 2.0
   66    69   -71    58   0.20000  1.0 3.0
   66    69    71    72   0.15000  1.0 3.0
   66    69    71    73   0.15000  1.0 3.0
   66    69    38    33   0.56750  1.0 1.0
   66    69    38    33  -0.07550 -1.0 2.0
   66    69    38    33   0.20000  1.0 3.0
   66    69    38    45   0.56750  1.0 1.0
   66    69    38    45  -0.07550 -1.0 2.0
   66    69    38    45   0.20000  1.0 3.0
   66    69    38    49   0.56750  1.0 1.0
   66    69    38    49  -0.07550 -1.0 2.0
   66    69    38    49   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    38   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    38   0.15000  1.0 3.0
   69    38    45    46   0.15000  1.0 3.0
   69    38    45    47   0.15000  1.0 3.0
   69    38    45    48   0.15000  1.0 3.0
   69    38    49    50   0.15000  1.0 3.0
   69    38    49    51   0.15000  1.0 3.0
   69    38    49    52   0.15000  1.0 3.0
   70    69    71    58   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    38    33   0.15000  1.0 3.0
   70    69    38    45   0.15000  1.0 3.0
   70    69    38    49   0.15000  1.0 3.0
   71    58    63    64   0.15000  1.0 3.0
   71    58    63    65   0.15000  1.0 3.0
   71    58   -63    66   0.56750  1.0 1.0
   71    58   -63    66  -0.07550 -1.0 2.0
   71    58   -63    66   0.20000  1.0 3.0
   71    69   -38    33   0.56750  1.0 1.0
   71    69   -38    33  -0.07550 -1.0 2.0
   71    69   -38    33   0.20000  1.0 3.0
   71    69    38    45   0.56750  1.0 1.0
   71    69    38    45  -0.07550 -1.0 2.0
   71    69    38    45   0.20000  1.0 3.0
   71    69    38    49   0.56750  1.0 1.0
   71    69    38    49  -0.07550 -1.0 2.0
   71    69    38    49   0.20000  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    37    58   0.46850  1.0 1.0
   38    33    37    58   0.08550 -1.0 2.0
   38    33    37    58   0.09800  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    69   -71    58   0.56750  1.0 1.0
   38    69   -71    58  -0.07550 -1.0 2.0
   38    69   -71    58   0.20000  1.0 3.0
   38    69    71    72   0.15000  1.0 3.0
   38    69    71    73   0.15000  1.0 3.0
   45    38    49    50   0.15000  1.0 3.0
   45    38    49    51   0.15000  1.0 3.0
   45    38    49    52   0.15000  1.0 3.0
   49    38    45    46   0.15000  1.0 3.0
   49    38    45    47   0.15000  1.0 3.0
   49    38    45    48   0.15000  1.0 3.0
   59    56    58    37   0.34400  1.0 1.0
   59    56    58    37   0.09450 -1.0 2.0
   59    56    58    37   0.11100  1.0 3.0
   59    56    58    63   0.56750  1.0 1.0
   59    56    58    63  -0.07550 -1.0 2.0
   59    56    58    63   0.20000  1.0 3.0
   59    56    58    71   0.56750  1.0 1.0
   59    56    58    71  -0.07550 -1.0 2.0
   59    56    58    71   0.20000  1.0 3.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    37    58   0.46850  1.0 1.0
   39    33    37    58   0.08550 -1.0 2.0
   39    33    37    58   0.09800  1.0 3.0
   39    33    38    69   0.56750  1.0 1.0
   39    33    38    69  -0.07550 -1.0 2.0
   39    33    38    69   0.20000  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    49   0.56750  1.0 1.0
   39    33    38    49  -0.07550 -1.0 2.0
   39    33    38    49   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    58    37    43   1.10000 -1.0 2.0
   53    44    43    37   1.10000 -1.0 2.0
END
