* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    112    166     330
    1     0 S   NP   _N1_     1    29.21070    92.47513   -22.67306
    2     1 S   H    _HN1     2     1.02766   101.02761   -76.84629
    3     1 S   H    _H1_     3     1.02978    96.87934    33.38667
    4     1 S   H    _H2_     4     1.02820    15.63171   165.00248
    5     1 S   CT   _CA1     5     1.50171   126.20668   154.75710
    6     5 S   HC   _HA1     6     1.09588   105.18280    62.09732
    7     5 S   CO3  _C1_     7     1.53785   112.45377   -57.78686
    8     7 S   O2Z  _O11     8     1.26340   115.04434   -41.23413
    9     7 S   O2Z  _O12     9     1.26267   114.91147   137.80863
   10     5 S   CT   _CB1    10     1.53078   107.28708   179.72589
   11    10 S   HC   HB11    11     1.09809   109.01341   -52.74812
   12    10 S   HC   HB12    12     1.09819   110.42259    63.59258
   13    10 S   CT   _CG1    13     1.53005   112.90835  -174.18675
   14    13 S   HC   HG11    14     1.09594   110.08959   -65.42353
   15    13 S   HC   HG12    15     1.09628   110.30070    53.72889
   16    13 S   C    _CD1    16     1.51810   112.14643   173.55561
   17    16 S   O    _OE1    17     1.22763   123.13729   -17.96962
   18    16 S   N    _N2_    18     1.38659   111.91118   163.55902
   19    18 S   H    _HN2    19     1.01575   119.11937     2.16709
   20    18 S   CT1  _CA2    20     1.46014   123.23971  -178.88267
   21    20 S   HC   _HA2    21     1.09590   109.34552    -2.56002
   22    20 S   C    _C2_    22     1.53407   108.90809  -117.72904
   23    22 S   O    _O2_    23     1.23041   122.10125  -145.56221
   24    20 S   CT   _CB2    32     1.53414   111.72713   119.56250
   25    24 S   HC   HB21    33     1.09656   109.65479    64.00530
   26    24 S   HC   HB22    34     1.09580   110.68374  -178.77507
   27    22 S   N    _N3_    24     1.38468   113.51959    42.06595
   28    27 S   H    _HN3    25     1.01494   119.01743    -0.70721
   29    24 S   S    _SG2    35     1.83003   115.09544   -55.95502
   30    27 S   CT   _CA3    26     1.45429   123.27272   174.42933
   31    30 S   HC   HA31    27     1.09536   109.00233    28.74361
   32    30 S   HC   HA32    28     1.09487   107.17479   145.76479
   33    29 S   CT   _C7_    36     1.83257    99.98130   -62.95714
   34    33 S   HC   _H7_    37     1.09606   107.80362   -52.45737
   35    33 S   HC   _H8_    38     1.09230   107.72028    63.74474
   36    30 S   CO3  _C3_    29     1.52975   113.32948   -94.51825
   37    36 S   O2Z  _O31    30     1.26391   115.56334   -40.25759
   38    36 S   O2Z  _O32    31     1.26378   114.87312   140.67555
   39    33 S   CT   _C6_    39     1.54066   113.10267  -174.24674
   40    39 S   CO3  _C8_    40     1.55752   114.85927   -67.48592
   41    40 S   O2Z  _O34    41     1.26641   114.22492   156.70036
   42    40 S   O2Z  _O33    42     1.26130   116.41210   -23.60336
   43    39 S   CT   _C5_    43     1.55195   111.57423   171.72146
   44    43 S   HC   _H5_    44     1.09886   109.64810  -179.00732
   45    43 S   HC   _H6_    45     1.09893   109.17928   -63.34572
   46    39 S   NP   _N4_    61     1.51927   107.41410    56.83370
   47    46 S   H    _H9_    62     1.02935   110.21207   -58.41972
   48    46 S   H    _H10    63     1.02988   110.23587  -176.16304
   49    46 S   H    _H11    64     1.02768   112.77198    62.28759
   50    43 S   CT   _C4_    46     1.53465   115.18544    58.31213
   51    50 S   HC   _H3_    47     1.09568   110.43454   -61.04352
   52    50 S   HC   _H4_    48     1.09536   110.72522    57.08607
   53    50 S   CT   _C9_    49     1.52801   111.43518   178.15019
   54    53 S   HC   _H12    50     1.09488   109.86769   -61.20649
   55    53 S   HC   _H13    51     1.09488   109.90399    60.13226
   56    53 S   NG   _N5_    52     1.47215   110.47935   179.45142
   57    56 S   H    _H14    53     1.01733   119.50046    -0.28871
   58    56 S   CG   _C10    54     1.38500   122.83718   179.57803
   59    58 S   NG   _N7_    55     1.38027   119.20442   179.97202
   60    59 S   H    _H17    56     1.01608   121.30621    -0.05234
   61    59 S   H    _H18    57     1.01598   121.22544   179.98022
   62    58 S   NG   _N6_    58     1.38009   121.74301     0.01978
   63    62 S   H    _H15    59     1.01604   121.02347  -179.98022
   64    62 S   H    _H16    60     1.01530   121.78685    -0.11535
  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
  14   5   4   2   1   1  14  10   3   2  13   6   5   4   2   1
   1   8   5   4   7   4   3   8   3   6   5   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    50    46    47    48    49  
   35    39    40    43    46  
   39    40    43    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    50    51    52    53    46    47    48    49  
   41    42    43    44    45    50    46    47    48    49  
   42    43    46  
   43    46  
   44    45    50    51    52    53    54    55    56    46    47    48    49  
   45    50    51    52    53    46  
   50    51    52    53    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    58  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    62  
   55    56    57    58  
   56    57    58  
   57    58    59    60    61    62    63    64  
   58    59    62  
   59    60    61    62    63    64  
   60    61    62    63    64  
   61    62  
   62  
   63    64  
   64  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   41   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.2500   0.1700   0.247500   2.1950   1.9500   0.003973653   1.685851020
   47   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.143000   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   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   63   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.460000   0.9960   0.8600   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.522
   39    43   268.000  1.529
   39    46   367.000  1.471
   40    41   656.000  1.250
   40    42   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   337.000  1.463
   56    57   434.000  1.010
   56    58   481.000  1.340
   58    59   481.000  1.340
   58    62   481.000  1.340
   59    60   434.000  1.010
   59    61   434.000  1.010
   62    63   434.000  1.010
   62    64   434.000  1.010
   46    47   434.000  1.010
   46    48   434.000  1.010
   46    49   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  109.69300
   33    39    43    58.35000  112.70000
   33    39    46    80.00000  111.20000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    70.00000  117.00000
   39    40    42    70.00000  117.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    50    58.35000  112.70000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   39    46    49    35.00000  109.50000
   42    40    41    80.00000  126.00000
   43    39    40    70.00000  109.69300
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    80.00000  111.20000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    35.00000  118.40000
   53    56    58    50.00000  123.20000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    58    59    70.00000  120.00000
   56    58    62    70.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    61    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    64    35.00000  120.00000
   61    59    60    35.00000  120.00000
   62    58    59    70.00000  120.00000
   64    62    63    35.00000  120.00000
   46    39    40    80.00000  109.26000
   46    39    43    80.00000  111.20000
   48    46    47    35.00000  109.50000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.41150 -1.0 2.0
   33    39    40    42   0.41150 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    50   0.56750  1.0 1.0
   33    39    43    50  -0.07550 -1.0 2.0
   33    39    43    50   0.20000  1.0 3.0
   33    39    46    47   0.17350  1.0 3.0
   33    39    46    48   0.17350  1.0 3.0
   33    39    46    49   0.17350  1.0 3.0
   34    33    39    40  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    46   0.19200  1.0 3.0
   35    33    39    40  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   35    33    39    46   0.19200  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    53   0.56750  1.0 1.0
   39    43    50    53  -0.07550 -1.0 2.0
   39    43    50    53   0.20000  1.0 3.0
   40    39    43    44  -0.11250  1.0 3.0
   40    39    43    45  -0.11250  1.0 3.0
   40    39    43    50  -1.63150  1.0 1.0
   40    39    43    50  -0.43550 -1.0 2.0
   40    39    43    50   0.24500  1.0 3.0
   40    39    46    47   0.17350  1.0 3.0
   40    39    46    48   0.17350  1.0 3.0
   40    39    46    49   0.17350  1.0 3.0
   43    39    40    41   0.41150 -1.0 2.0
   43    39    40    42   0.41150 -1.0 2.0
   43    39    46    47   0.17350  1.0 3.0
   43    39    46    48   0.17350  1.0 3.0
   43    39    46    49   0.17350  1.0 3.0
   43    50    53    54   0.15000  1.0 3.0
   43    50    53    55   0.15000  1.0 3.0
   43    50    53    56   1.34550  1.0 1.0
   43    50    53    56  -0.31050 -1.0 2.0
   43    50    53    56   0.95500  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    53   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    53   0.15000  1.0 3.0
   50    53    56    57  -0.09500  1.0 1.0
   50    53    56    57  -0.20850 -1.0 2.0
   50    53    56    57   0.20900  1.0 3.0
   50    53    56    58   0.25550 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56  -0.29100  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56  -0.29100  1.0 3.0
   53    56    58    59   3.96800 -1.0 2.0
   53    56    58    62   3.96800 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.08850  1.0 3.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    58   0.08850  1.0 3.0
   56    58    59    60   1.50000 -1.0 2.0
   56    58    59    61   1.50000 -1.0 2.0
   56    58    62    63   1.50000 -1.0 2.0
   56    58    62    64   1.50000 -1.0 2.0
   57    56    58    59   1.50000 -1.0 2.0
   57    56    58    62   1.50000 -1.0 2.0
   59    58    62    63   1.50000 -1.0 2.0
   59    58    62    64   1.50000 -1.0 2.0
   62    58    59    60   1.50000 -1.0 2.0
   62    58    59    61   1.50000 -1.0 2.0
   46    39    40    41   0.30150 -1.0 2.0
   46    39    40    42   0.30150 -1.0 2.0
   46    39    43    44   0.19200  1.0 3.0
   46    39    43    45   0.19200  1.0 3.0
   46    39    43    50   1.36600  1.0 1.0
   46    39    43    50  -0.11450 -1.0 2.0
   46    39    43    50   0.24250  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
   37    30    36    38  10.50000 -1.0 2.0
   41    39    40    42  10.50000 -1.0 2.0
   57    58    56    53   1.00000 -1.0 2.0
   56    59    58    62  10.50000 -1.0 2.0
   61    58    59    60   1.00000 -1.0 2.0
   63    64    62    58   1.00000 -1.0 2.0
END
