* LIGAND DATABASE FILE (OPLS2005)
*
001      65    64    114    160     330
    1     0 S   NP   _N1_     1    29.25033    95.70412   -18.10609
    2     1 S   H    _HN1     2     1.02776    72.51526   -83.16902
    3     1 S   H    _H1_     3     1.02968    91.62484    25.56265
    4     1 S   H    _H2_     4     1.02829    45.94132   137.90643
    5     1 S   CT   _CA1     5     1.50161   153.37952   171.85869
    6     5 S   HC   _HA1     6     1.09565   105.23445    33.74045
    7     5 S   CO3  _C1_     7     1.53868   112.38193   -86.48118
    8     7 S   O2Z  _O11     8     1.26349   114.94897   -40.55205
    9     7 S   O2Z  _O12     9     1.26250   115.07746   138.50921
   10     5 S   CT   _CB1    10     1.53111   107.36888   151.79029
   11    10 S   HC   HB11    11     1.09814   109.52630   -48.81568
   12    10 S   HC   HB12    12     1.09822   110.34874    67.85177
   13    10 S   CT   _CG1    13     1.52927   112.56633  -169.88586
   14    13 S   HC   HG11    14     1.09504   110.28087   -60.34339
   15    13 S   HC   HG12    15     1.09642   110.08427    58.58871
   16    13 S   C    _CD1    16     1.51860   112.36561   178.74695
   17    16 S   O    _OE1    17     1.22712   123.24035   -11.76879
   18    16 S   N    _N2_    18     1.38543   111.54351   169.25175
   19    18 S   H    _HN2    19     1.01569   118.92293     0.21670
   20    18 S   CT1  _CA2    20     1.46152   123.76717  -179.02602
   21    20 S   HC   _HA2    21     1.09725   109.46841    -9.72199
   22    20 S   C    _C2_    22     1.53506   108.18638  -125.25730
   23    22 S   O    _O2_    23     1.23022   122.30901  -146.34214
   24    20 S   CT   _CB2    32     1.53444   111.20946   112.59501
   25    24 S   HC   HB21    33     1.09472   109.76115    53.73950
   26    24 S   HC   HB22    34     1.09529   110.43383   171.54021
   27    22 S   N    _N3_    24     1.38539   113.40233    41.11819
   28    27 S   H    _HN3    25     1.01521   118.85799    -0.78185
   29    24 S   S    _SG2    35     1.83381   111.68751   -70.42961
   30    27 S   CT   _CA3    26     1.45443   123.54237   175.22816
   31    30 S   HC   HA31    27     1.09517   109.34783    22.40866
   32    30 S   HC   HA32    28     1.09501   107.09848   139.40834
   33    29 S   CT   _C10    36     1.85609   101.88914   129.59862
   34    33 S   OM   _O34    37     1.31176   107.72926   169.43565
   35    30 S   CO3  _C3_    29     1.52907   113.01961  -101.15681
   36    35 S   O2Z  _O31    30     1.26411   115.36381   -46.10467
   37    35 S   O2Z  _O32    31     1.26350   115.01976   134.83306
   38    33 S   NT   _N6_    38     1.45631   110.05879    50.96865
   39    38 S   H    _H17    39     1.01757   107.85721   168.74324
   40    38 S   H    _H18    40     1.01886   107.24925    55.90940
   41    33 S   S    _S2_    41     1.84755   108.08074   -71.96160
   42    41 S   CT   _C9_    42     1.82936   101.92085   175.47636
   43    42 S   HC   _H15    43     1.09311   107.20175   -69.11515
   44    42 S   HC   _H16    44     1.09420   109.57816    48.63246
   45    42 S   CT   _C6_    45     1.53980   110.73865   170.15446
   46    45 S   HC   _H3_    46     1.09832   109.91287    49.09318
   47    45 S   CT   _C7_    47     1.54334   112.79515   -72.50028
   48    47 S   HC   _H11    48     1.09449   110.81864   -58.38321
   49    47 S   HC   _H12    49     1.09448   110.15270    60.30993
   50    45 S   NP   _N4_    56     1.54181   110.40974   164.63994
   51    50 S   H    _H7_    57     1.02984   104.76767   167.01393
   52    47 S   S    _S1_    50     1.82539   111.79541   179.59122
   53    50 S   CT   _C4_    58     1.50695   112.86300   -79.29653
   54    53 S   HC   _H4_    59     1.09209   109.06191    68.48535
   55    53 S   HC   _H5_    60     1.09341   107.88705  -171.23980
   56    53 S   HC   _H6_    61     1.09296   108.25965   -52.66252
   57    50 S   CT   _C5_    62     1.50573   115.91619    50.97381
   58    57 S   HC   _H8_    63     1.09263   109.03098   -69.84920
   59    57 S   HC   _H9_    64     1.09131   108.88929    51.78054
   60    57 S   HC   _H10    65     1.09357   107.70558   170.39549
   61    52 S   CO4  _C8_    51     1.75403    99.93115  -179.59074
   62    61 S   O    _O33    52     1.22336   123.83700   -21.46333
   63    61 S   N    _N5_    53     1.36755   110.77018   159.49428
   64    63 S   H    _H13    54     1.01323   120.93422  -179.81548
   65    63 S   H    _H14    55     1.01336   121.19617    -1.56085
  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   7   5   4   3
   9   5   2   1   1   4   2   1   7  12   5   4  16   8  10   4
   3  10   8   5   7   3   2   1   3   2   1   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    41    42  
   36    37  
   37  
    0  
   39    40    41    42  
   40    41  
   41  
   42    43    44    45    46    47    50  
   43    44    45    46    47    48    49    52    50    51    53    57  
   44    45    46    47    50  
   45    46    47    50  
   46    47    48    49    52    61    50    51    53    54    55    56    57    58    59    60  
   47    48    49    52    50    51    53    57  
   48    49    52    61    62    63    50    51    53    57  
   49    52    61    50  
   52    61    50  
   51    53    54    55    56    57    58    59    60    52  
   53    54    55    56    57    58    59    60  
   61    62    63    64    65  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.3000   0.1700  -0.842500   1.8650   1.6500   0.051222218  -2.220205820
   39   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   51   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.7500   0.1050   0.671900   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   63   3.2500   0.1700  -0.882500   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   65   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   382.000  1.448
   33    41   222.000  1.810
   38    39   434.000  1.010
   38    40   434.000  1.010
   41    42   222.000  1.810
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   222.000  1.810
   52    61   210.000  1.799
   61    62   570.000  1.229
   61    63   435.000  1.380
   63    64   434.000  1.010
   63    65   434.000  1.010
   50    51   434.000  1.010
   50    53   367.000  1.471
   50    57   367.000  1.471
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    41    75.00000  118.28000
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    41    42    62.00000   98.90000
   38    33    34   110.00000  105.70000
   40    38    39    43.60000  106.40000
   41    33    34    85.00000  114.68000
   41    33    38    85.00000  109.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    75.00000  111.63000
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    50    80.00000  111.20000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    52    75.00000  111.63000
   45    50    51    35.00000  109.50000
   45    50    53    75.00000  113.01200
   45    50    57    75.00000  113.01200
   47    45    46    37.50000  110.70000
   47    52    61    90.00000   96.72000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    61    62    80.00000  121.30200
   52    61    63    80.00000  112.20600
   61    63    64    50.00000  116.34900
   61    63    65    50.00000  116.34900
   63    61    62    85.00000  125.96000
   65    63    64    35.00000  120.00000
   50    45    46    35.00000  109.50000
   50    45    47    80.00000  111.20000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   53    50    51    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    53    75.00000  113.01200
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.05900  1.0 1.0
   29    33    38    39   0.08350 -1.0 2.0
   29    33    38    39   0.12500  1.0 3.0
   29    33    38    40  -0.05900  1.0 1.0
   29    33    38    40   0.08350 -1.0 2.0
   29    33    38    40   0.12500  1.0 3.0
   29    33    41    42   0.08500  1.0 1.0
   29    33    41    42  -0.53150 -1.0 2.0
   29    33    41    42   0.48050  1.0 3.0
   33    41    42    43   0.32350  1.0 3.0
   33    41    42    44   0.32350  1.0 3.0
   33    41    42    45   0.01700  1.0 1.0
   33    41    42    45  -0.23550 -1.0 2.0
   33    41    42    45   0.21350  1.0 3.0
   34    33    38    39  -0.05900  1.0 1.0
   34    33    38    39   0.08350 -1.0 2.0
   34    33    38    39   0.12500  1.0 3.0
   34    33    38    40  -0.05900  1.0 1.0
   34    33    38    40   0.08350 -1.0 2.0
   34    33    38    40   0.12500  1.0 3.0
   34    33    41    42   0.13850  1.0 1.0
   34    33    41    42  -1.34450 -1.0 2.0
   34    33    41    42   0.57400  1.0 3.0
   38    33    41    42   0.01700  1.0 1.0
   38    33    41    42  -0.23550 -1.0 2.0
   38    33    41    42   0.21350  1.0 3.0
   41    33    38    39  -0.05900  1.0 1.0
   41    33    38    39   0.08350 -1.0 2.0
   41    33    38    39   0.12500  1.0 3.0
   41    33    38    40  -0.05900  1.0 1.0
   41    33    38    40   0.08350 -1.0 2.0
   41    33    38    40   0.12500  1.0 3.0
   41    42    45    46   0.15000  1.0 3.0
   41    42    45    47   0.44750  1.0 1.0
   41    42    45    47  -0.17800 -1.0 2.0
   41    42    45    47   0.20200  1.0 3.0
   41    42    45    50   0.56750  1.0 1.0
   41    42    45    50  -0.07550 -1.0 2.0
   41    42    45    50   0.20000  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    49   0.15000  1.0 3.0
   42    45    47    52   0.44750  1.0 1.0
   42    45    47    52  -0.17800 -1.0 2.0
   42    45    47    52   0.20200  1.0 3.0
   42    45    50    51   0.17350  1.0 3.0
   42    45    50    53   0.47100  1.0 1.0
   42    45    50    57   0.47100  1.0 1.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    50   0.19200  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    50   0.19200  1.0 3.0
   45    47    52    61   0.00000  1.0 1.0
   45    50    53    54   0.15000  1.0 3.0
   45    50    53    55   0.15000  1.0 3.0
   45    50    53    56   0.15000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    60   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    50    51   0.13050  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.17350  1.0 3.0
   47    45    50    53   0.47100  1.0 1.0
   47    45    50    57   0.47100  1.0 1.0
   47    52    61    62  -0.11550  1.0 1.0
   47    52    61    62   1.88700 -1.0 2.0
   47    52    61    63  -0.11550  1.0 1.0
   47    52    61    63   1.88700 -1.0 2.0
   48    47    52    61   0.24000  1.0 3.0
   49    47    52    61   0.24000  1.0 3.0
   52    61    63    64   2.56700 -1.0 2.0
   52    61    63    65   2.56700 -1.0 2.0
   62    61    63    64   2.45000 -1.0 2.0
   62    61    63    65   2.45000 -1.0 2.0
   50    45    47    48   0.19200  1.0 3.0
   50    45    47    49   0.19200  1.0 3.0
   50    45    47    52   0.56750  1.0 1.0
   50    45    47    52  -0.07550 -1.0 2.0
   50    45    47    52   0.20000  1.0 3.0
   51    50    53    54   0.13050  1.0 3.0
   51    50    53    55   0.13050  1.0 3.0
   51    50    53    56   0.13050  1.0 3.0
   51    50    57    58   0.13050  1.0 3.0
   51    50    57    59   0.13050  1.0 3.0
   51    50    57    60   0.13050  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   52    63    61    62  10.50000 -1.0 2.0
   65    61    63    64   1.00000 -1.0 2.0
END
