* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     414
    1     0 S   NP   _N1_     1    28.68759    95.52920   -23.93633
    2     1 S   H    _HN1     2     1.02951    76.71956    20.13451
    3     1 S   H    _H1_     3     1.02829    32.84885   177.33714
    4     1 S   H    _H2_     4     1.02783   106.67535   -85.35396
    5     1 S   CT   _CA1     5     1.50108   134.91480   125.82815
    6     5 S   HC   _HA1     6     1.09573   105.21524    86.22830
    7     5 S   CO3  _C1_     7     1.53796   112.43965   -34.02893
    8     7 S   O2Z  _O11     8     1.26370   115.00943   -43.09161
    9     7 S   O2Z  _O12     9     1.26241   114.94677   136.08048
   10     5 S   CT   _CB1    10     1.53085   107.42615  -155.78780
   11    10 S   HC   HB11    11     1.09830   109.39673   -49.90933
   12    10 S   HC   HB12    12     1.09814   110.43141    66.69907
   13    10 S   CT   _CG1    13     1.52983   112.59599  -170.90876
   14    13 S   HC   HG11    14     1.09587   110.58327   -64.66403
   15    13 S   HC   HG12    15     1.09667   109.83910    54.56319
   16    13 S   C    _CD1    16     1.51795   112.28679   175.01355
   17    16 S   O    _OE1    17     1.22722   123.31002     4.28629
   18    16 S   N    _N2_    18     1.38646   111.62038  -175.78267
   19    18 S   H    _HN2    19     1.01582   118.93132     1.97576
   20    18 S   CT1  _CA2    20     1.46208   123.41164   178.23697
   21    20 S   HC   _HA2    21     1.09736   109.40740     0.96185
   22    20 S   C    _C2_    22     1.53525   108.55540  -114.55331
   23    22 S   O    _O2_    23     1.23055   122.29570  -147.73953
   24    20 S   CT   _CB2    32     1.53454   111.49377   123.01991
   25    24 S   HC   HB21    33     1.09440   109.59617    56.36142
   26    24 S   HC   HB22    34     1.09425   109.76919   175.30068
   27    22 S   N    _N3_    24     1.38334   113.67304    39.69494
   28    27 S   H    _HN3    25     1.01596   119.57494    -3.33818
   29    24 S   S    _SG2    35     1.82952   111.17252   -65.17705
   30    27 S   CT   _CA3    26     1.45289   123.18010   177.09081
   31    30 S   HC   HA31    27     1.09550   107.50877   -64.48833
   32    30 S   HC   HA32    28     1.09557   107.97921    51.93968
   33    29 S   CT   _C15    36     1.85343   101.87254   170.14607
   34    30 S   CO3  _C3_    29     1.52952   114.10419   173.93725
   35    34 S   O2Z  _O31    30     1.26373   116.06582    -0.73595
   36    34 S   O2Z  _O32    31     1.26430   114.41097   179.32681
   37    33 S   CT   _C9_    37     1.53630   109.59525   -62.32736
   38    37 S   HC   _H22    38     1.09402   113.01939    88.13533
   39    37 S   HC   _H23    39     1.09567   113.82887   -38.26467
   40    33 S   CT   _C18    69     1.54272   110.01312    58.39431
   41    40 S   HC   _H36    70     1.09497   112.35024    52.12896
   42    40 S   HC   _H37    71     1.09547   111.85930   -68.72880
   43    40 S   HC   _H38    72     1.09616   111.29234   172.62781
   44    37 S   CO4  _C6_    40     1.49725   101.47003  -154.05189
   45    44 S   O    _O16    41     1.22052   123.52615  -148.63518
   46    44 S   CM   _C4_    42     1.50194   110.18308    31.48399
   47    46 S   CM   _C5_    43     1.34988   124.09684   162.47774
   48    33 S   CT   _C11    59     1.57653   109.68338  -176.18315
   49    48 S   HC   _H26    60     1.10056   108.02648    34.20602
   50    47 S   CT   _C8_    44     1.51797   124.42277  -176.60939
   51    50 S   HC   _H20    45     1.09771   108.49600    78.89869
   52    50 S   HC   _H21    46     1.09881   108.46606  -167.09601
   53    47 S   CT   _C16    65     1.51406   123.51998    -1.44279
   54    53 S   HC   _H30    66     1.09432   110.12716    96.53583
   55    53 S   HC   _H31    67     1.09145   113.58607   -26.48632
   56    53 S   HC   _H32    68     1.09644   110.64124  -143.98890
   57    50 S   CT   _C10    47     1.52719   118.05103   -47.39507
   58    57 S   HC   _H24    48     1.09764   107.55744  -169.28792
   59    57 S   HC   _H25    49     1.09703   109.68880   -53.65016
   60    57 S   CT   _C13    50     1.51890   112.92045    70.95875
   61    60 S   HC   _H28    51     1.10043   109.16883    46.31635
   62    60 S   CT   _C12    52     1.52941   115.93988   166.72148
   63    62 S   HC   _H27    53     1.09553   109.59488   -88.10569
   64    62 S   CO4  _C7_    54     1.50679   100.93490   156.75579
   65    64 S   O    _O17    55     1.22111   125.69260   162.95042
   66    62 S   CT   _C17    61     1.52207   116.46206    37.99005
   67    66 S   HC   _H33    62     1.09518   111.98424    54.74037
   68    66 S   HC   _H34    63     1.09424   111.18405   -66.60604
   69    66 S   HC   _H35    64     1.09574   110.47156   173.98425
   70    64 S   OS   _O18    56     1.36702   109.80499   -18.17638
   71    60 S   CT   _C14    57     1.51736   113.31447   -75.56486
   72    71 S   HC   _H29    58     1.09789   110.70824   -48.07761
  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
  17   2   1   1  13   6   5   8   3   2   1   8   3  15  14  11
   4  13   6   5   4   2   1   1  11   5   4  12   7  10   8   8
   3   5   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    48    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    46    71    48    49    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    60    70    71    72    48    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    71    48    49    40    41    42    43  
   39    44    45    46    48    40  
   44    45    46    48    40  
   41    42    43    44    46    48    49    71  
   42    43    48  
   43    48  
   48  
   45    46    47    50    71    48    49    53  
   46    47    48  
   47    50    51    52    57    60    70    71    72    48    49    53    54    55    56  
   50    51    52    57    58    59    60    71    48    49    53    54    55    56  
   49    53    50    57    60    61    62    64    70    71    72  
   60    70    71    72  
   51    52    57    58    59    60    61    62    71    53    54    55    56  
   52    57    58    59    60    53  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    70    71    72    66  
   59    60    61    62    71  
   60    61    62    71  
   61    62    63    64    65    70    71    72    66    67    68    69  
   62    63    64    70    71    72    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    71    66    67    68    69  
   65    70    71    72    66    67    68    69  
   70    71    66  
   67    68    69    70    71  
   68    69  
   69  
    0  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   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    48   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   549.000  1.340
   46    48   317.000  1.510
   47    50   317.000  1.510
   47    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    71   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   268.000  1.529
   64    65   570.000  1.229
   64    70   214.000  1.327
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    48   268.000  1.529
   48    49   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    48    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    48    46    70.00000  112.02700
   33    48    71    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    65.00000  118.62400
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    65.00000  118.96000
   44    46    48    65.00000  116.34900
   46    44    45    80.00000  123.72100
   46    47    50    70.00000  124.00000
   46    47    53    70.00000  124.00000
   46    48    71    70.00000  112.02700
   46    48    49    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    70.00000  112.02700
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    63.00000  111.10000
   60    62    66    58.35000  112.70000
   60    71    70    50.00000  109.50000
   60    71    72    37.50000  110.70000
   60    71    48    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    64    65    80.00000  120.40000
   62    64    70    81.00000  111.40000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    70    71    83.00000  116.90000
   70    64    65    83.00000  123.40000
   70    71    72    35.00000  109.50000
   70    71    48    50.00000  109.50000
   71    60    61    37.50000  110.70000
   71    60    62    58.35000  112.70000
   71    48    49    37.50000  110.70000
   48    33    37    58.35000  112.70000
   48    46    47    70.00000  124.00000
   48    71    72    37.50000  110.70000
   66    62    63    37.50000  110.70000
   66    62    64    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    47    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    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
   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    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    71   0.44750  1.0 1.0
   29    33    48    71  -0.17800 -1.0 2.0
   29    33    48    71   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37   -44    46   0.65300  1.0 1.0
   33    37   -44    46  -0.03850 -1.0 2.0
   33    37   -44    46   0.33900  1.0 3.0
   37    33   -48    46   0.34400  1.0 1.0
   37    33   -48    46   0.09450 -1.0 2.0
   37    33   -48    46   0.11100  1.0 3.0
   37    33    48    71   0.56750  1.0 1.0
   37    33    48    71  -0.07550 -1.0 2.0
   37    33    48    71   0.20000  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47  -0.33500  1.0 1.0
   37    44    46    47   1.06600 -1.0 2.0
   37    44    46    47  -0.14000  1.0 3.0
   37    44   -46    48   0.25700  1.0 1.0
   37    44   -46    48   0.66200 -1.0 2.0
   37    44   -46    48   0.04450  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    47    50   7.00000 -1.0 2.0
   44    46    47    53   7.00000 -1.0 2.0
   44    46   -48    33   0.09700  1.0 1.0
   44    46   -48    33   0.15600 -1.0 2.0
   44    46   -48    33  -0.50800  1.0 3.0
   44    46    48    71   0.09700  1.0 1.0
   44    46    48    71   0.15600 -1.0 2.0
   44    46    48    71  -0.50800  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   45    44    46    47   1.00000 -1.0 2.0
   45    44    46    48  -0.64400  1.0 1.0
   45    44    46    48   0.26850 -1.0 2.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    52   0.00000  1.0 1.0
   46    47    50    57   0.09850  1.0 1.0
   46    47    50    57   0.15250 -1.0 2.0
   46    47    50    57  -0.50650  1.0 3.0
   46    47    53    54   0.00000  1.0 1.0
   46    47    53    55   0.00000  1.0 1.0
   46    47    53    56   0.00000  1.0 1.0
   47    46    48    33   0.09850  1.0 1.0
   47    46    48    33   0.15250 -1.0 2.0
   47    46    48    33  -0.50650  1.0 3.0
   47    46    48    71   0.09850  1.0 1.0
   47    46    48    71   0.15250 -1.0 2.0
   47    46    48    71  -0.50650  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.34400  1.0 1.0
   47    50    57    60   0.09450 -1.0 2.0
   47    50    57    60   0.11100  1.0 3.0
   50    47    53    54   0.34800  1.0 3.0
   50    47    53    55   0.34800  1.0 3.0
   50    47    53    56   0.34800  1.0 3.0
   50    57    60    61   0.15000  1.0 3.0
   50    57    60    62   0.56750  1.0 1.0
   50    57    60    62  -0.07550 -1.0 2.0
   50    57    60    62   0.20000  1.0 3.0
   50    57    60    71   0.56750  1.0 1.0
   50    57    60    71  -0.07550 -1.0 2.0
   50    57    60    71   0.20000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    64  -0.95700  1.0 1.0
   57    60    62    64  -0.18200 -1.0 2.0
   57    60    62    64   0.29450  1.0 3.0
   57    60    62    66   0.56750  1.0 1.0
   57    60    62    66  -0.07550 -1.0 2.0
   57    60    62    66   0.20000  1.0 3.0
   57    60    71    70   0.62750  1.0 1.0
   57    60    71    70  -0.30950 -1.0 2.0
   57    60    71    70   0.27300  1.0 3.0
   57    60    71    72   0.15000  1.0 3.0
   57    60    71    48   0.56750  1.0 1.0
   57    60    71    48  -0.07550 -1.0 2.0
   57    60    71    48   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    71   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    71   0.15000  1.0 3.0
   60    62    64    65   0.30150 -1.0 2.0
   60    62   -64    70   0.36750  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    68   0.15000  1.0 3.0
   60    62    66    69   0.15000  1.0 3.0
   60    71    48    33   0.56750  1.0 1.0
   60    71    48    33  -0.07550 -1.0 2.0
   60    71    48    33   0.20000  1.0 3.0
   60    71    48    46   0.34400  1.0 1.0
   60    71    48    46   0.09450 -1.0 2.0
   60    71    48    46   0.11100  1.0 3.0
   60    71    48    49   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64  -0.11250  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    71    70   0.23400  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    48   0.15000  1.0 3.0
   62    60   -71    70   0.62750  1.0 1.0
   62    60   -71    70  -0.30950 -1.0 2.0
   62    60   -71    70   0.27300  1.0 3.0
   62    60    71    72   0.15000  1.0 3.0
   62    60    71    48   0.56750  1.0 1.0
   62    60    71    48  -0.07550 -1.0 2.0
   62    60    71    48   0.20000  1.0 3.0
   62    64   -70    71   1.63150  1.0 1.0
   62    64   -70    71   2.92000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    70   0.00000  1.0 1.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   64    62    66    67  -0.11250  1.0 3.0
   64    62    66    68  -0.11250  1.0 3.0
   64    62    66    69  -0.11250  1.0 3.0
   64    70   -71    60  -0.25900  1.0 1.0
   64    70   -71    60  -0.47000 -1.0 2.0
   64    70   -71    60   0.11750  1.0 3.0
   64    70    71    72   0.08050  1.0 3.0
   64    70    71    48  -0.25900  1.0 1.0
   64    70    71    48  -0.47000 -1.0 2.0
   64    70    71    48   0.11750  1.0 3.0
   65    64    70    71   3.00000 -1.0 2.0
   70    71    48    33   0.62750  1.0 1.0
   70    71    48    33  -0.30950 -1.0 2.0
   70    71    48    33   0.27300  1.0 3.0
   70    71    48    46   0.61850  1.0 1.0
   70    71    48    46  -0.22750 -1.0 2.0
   70    71    48    46   0.15300  1.0 3.0
   70    71    48    49   0.23400  1.0 3.0
   71    60    62    63   0.15000  1.0 3.0
   71    60   -62    64  -0.95700  1.0 1.0
   71    60   -62    64  -0.18200 -1.0 2.0
   71    60   -62    64   0.29450  1.0 3.0
   71    60    62    66   0.56750  1.0 1.0
   71    60    62    66  -0.07550 -1.0 2.0
   71    60    62    66   0.20000  1.0 3.0
   72    71    48    33   0.15000  1.0 3.0
   72    71    48    46   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   48    33    37    38   0.15000  1.0 3.0
   48    33    37    39   0.15000  1.0 3.0
   48    33   -37    44  -0.95700  1.0 1.0
   48    33   -37    44  -0.18200 -1.0 2.0
   48    33   -37    44   0.29450  1.0 3.0
   48    33    40    41   0.15000  1.0 3.0
   48    33    40    42   0.15000  1.0 3.0
   48    33    40    43   0.15000  1.0 3.0
   48    46    47    50   7.00000 -1.0 2.0
   48    46    47    53   7.00000 -1.0 2.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    70   0.36750  1.0 3.0
   53    47    50    51   0.34800  1.0 3.0
   53    47    50    52   0.34800  1.0 3.0
   53    47    50    57   0.46850  1.0 1.0
   53    47    50    57   0.08550 -1.0 2.0
   53    47    50    57   0.09800  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    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    48    46   0.34400  1.0 1.0
   40    33    48    46   0.09450 -1.0 2.0
   40    33    48    46   0.11100  1.0 3.0
   40    33    48    71   0.56750  1.0 1.0
   40    33    48    71  -0.07550 -1.0 2.0
   40    33    48    71   0.20000  1.0 3.0
   40    33    48    49   0.15000  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
   37    46    44    45  10.50000 -1.0 2.0
   44    48    46    47   1.10000 -1.0 2.0
   50    53    47    46   1.10000 -1.0 2.0
   62    70    64    65  10.50000 -1.0 2.0
END
