* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    135    204     383
    1     0 S   NP   _N1_     1    28.87063    99.45312   -18.98098
    2     1 S   H    _HN1     2     1.02956    53.70477    -6.60123
    3     1 S   H    _H1_     3     1.02835    63.26269   134.41877
    4     1 S   H    _H2_     4     1.02777    93.16460  -117.11748
    5     1 S   CT   _CA1     5     1.50156   154.08619    51.87005
    6     5 S   HC   _HA1     6     1.09578   105.16846   130.42482
    7     5 S   CO3  _C1_     7     1.53754   112.33456    10.33291
    8     7 S   O2Z  _O11     8     1.26367   114.97865   -43.78591
    9     7 S   O2Z  _O12     9     1.26230   114.91688   135.10060
   10     5 S   CT   _CB1    10     1.53077   107.39558  -111.73683
   11    10 S   HC   HB11    11     1.09832   109.21119   -50.49402
   12    10 S   HC   HB12    12     1.09813   110.47906    66.02128
   13    10 S   CT   _CG1    13     1.53046   112.74296  -171.55789
   14    13 S   HC   HG11    14     1.09589   110.54557   -66.71478
   15    13 S   HC   HG12    15     1.09664   109.86499    52.50747
   16    13 S   C    _CD1    16     1.51866   112.20000   172.78966
   17    16 S   O    _OE1    17     1.22774   123.25374     3.93716
   18    16 S   N    _N2_    18     1.38563   111.83389  -175.91438
   19    18 S   H    _HN2    19     1.01575   119.11245     2.99839
   20    18 S   CT1  _CA2    20     1.45829   122.73036   176.95740
   21    20 S   HC   _HA2    21     1.09737   108.84962    27.11343
   22    20 S   C    _C2_    22     1.52965   107.01710   -89.87056
   23    22 S   O    _O2_    23     1.22972   123.10100   -27.39083
   24    20 S   CT   _CB2    32     1.53232   112.26394   150.45683
   25    24 S   HC   HB21    33     1.09449   109.83424    54.04835
   26    24 S   HC   HB22    34     1.09476   109.82338   172.56040
   27    22 S   N    _N3_    24     1.38505   112.50795   155.29286
   28    27 S   H    _HN3    25     1.01653   120.34234    -1.99528
   29    24 S   S    _SG2    35     1.82723   110.79085   -68.30811
   30    27 S   CT   _CA3    26     1.45348   122.51670   178.59779
   31    30 S   HC   HA31    27     1.09564   107.77799   -56.95949
   32    30 S   HC   HA32    28     1.09564   107.64764    59.38395
   33    29 S   CT   _C9_    36     1.86640   101.85552   159.29561
   34    30 S   CO3  _C3_    29     1.52895   114.28879  -178.78582
   35    34 S   O2Z  _O31    30     1.26343   116.04937     1.37373
   36    34 S   O2Z  _O32    31     1.26435   114.41827  -178.64549
   37    33 S   CM   _C10    37     1.52194   106.53559   164.34206
   38    33 S   S    _S1_    62     1.83214   109.14080   -71.35371
   39    37 S   N4   _N4_    38     1.35783   107.96494   -98.41569
   40    37 S   CMA  _C11    59     1.51079   126.16871    90.71697
   41    40 S   OM   _O33    60     1.26314   121.25364   109.26847
   42    40 S   OM   _O34    61     1.26256   120.29553   -70.93634
   43    38 S   CM   _C13    63     1.73028   103.61513  -179.04591
   44    43 S   HC   _H11    64     1.08525   118.73487    13.07995
   45    39 S   C4   _C12    39     1.34414   137.56420  -140.45137
   46    45 S   O    _O35    40     1.20853   134.49963   -35.40028
   47    39 S   C4T  _C7_    43     1.45097   114.65533    -0.12195
   48    47 S   HC   _H5_    44     1.09922   111.10864    99.26109
   49    43 S   CM   _C14    65     1.33840   121.57598  -166.87334
   50    49 S   HC   _H12    66     1.08560   122.00608    -0.27625
   51    45 S   C4T  _C6_    41     1.56997    89.38328   138.76738
   52    51 S   HC   _H4_    42     1.09892   112.01706   116.18005
   53    33 S   CT   _C8_    45     1.56380   112.20276    54.18411
   54    53 S   HC   _H9_    46     1.09281   114.33307   -38.60692
   55    53 S   HC   _H10    47     1.09325   111.75957  -159.13965
   56    49 S   N    _N5_    67     1.37273   121.84678   179.34210
   57    56 S   H    _H13    68     1.01699   117.32987    -0.06853
   58    51 S   CT   _C5_    48     1.52783   114.87751  -114.48745
   59    58 S   HC   _H3_    49     1.09556   110.17208    42.46682
   60    56 S   C    _C15    69     1.38619   123.69789  -179.71884
   61    60 S   O    _O36    70     1.22836   126.16325    -0.58684
   62    58 S   CT   _C4_    50     1.52479   109.65775   -78.36971
   63    62 S   HC   _H6_    51     1.09575   110.96059   -63.45943
   64    62 S   HC   _H7_    52     1.09383   110.99010   177.86265
   65    62 S   HC   _H8_    53     1.09398   111.62139    57.43158
   66    58 S   OS   _O37    54     1.42812   107.18803   162.79366
   67    60 S   CT   _C16    71     1.50569   112.02164   179.83687
   68    67 S   HC   _H14    72     1.09362   109.64864    65.68262
   69    67 S   HC   _H15    73     1.09385   110.03816   -54.83828
   70    67 S   HC   _H16    74     1.09357   109.73434  -174.52249
   71    66 S   SY   _S2_    55     1.64126   121.27525  -153.18916
   72    71 S   OY   _O40    56     1.46127   104.33376   -74.95011
   73    71 S   OY   _O38    57     1.46193   103.24642   165.56112
   74    71 S   OY   _O39    58     1.46163   105.12459    45.82533
  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  10   5   4   3
  16   2   1   1  14  11  13   5   1   1   7   3  10   4  10   6
   6   3  12   5   3   1   1   7   3  10   6   5   4   5   3   2
   1   4   3   2   1   1   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    53    54    55    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    51    47    48    53    54    55    40    41    42    38    43    44    49  
   35    36  
   36  
    0  
   39    45    46    51    47    48    53    54    55    40    41    42    38    43  
   43    44    49    50    56    39    40    47    53    54    55  
   45    46    51    52    47    48    53    54    55    58    40    41    42  
   41    42    45    47    53  
   42  
    0  
   44    49    50    56    57    60    53  
   49    50    56  
   46    51    52    47    48    53    58    59    62    66  
   51    52    47    58  
   48    53    54    55    58    59    62    66    51    52  
   53    54    55    58    51    52  
   50    56    57    60    61    67  
   56    57    60  
   52    53    54    55    58    59    62    63    64    65    66    71  
   53    58    59    62    66  
   54    55    58  
   55  
    0  
   57    60    61    67    68    69    70  
   60    61    67  
   59    62    63    64    65    66    71    72    73    74  
   62    63    64    65    66    71  
   61    67    68    69    70  
   67    68    69    70  
   63    64    65    66    71  
   64    65    66  
   65    66  
   66  
   71    72    73    74  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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   0.335000   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.061200   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  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660   0.169900   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.500300   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   72   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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    53   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    51   250.000  1.540
   51    52   340.000  1.090
   51    47   268.000  1.529
   51    58   260.000  1.519
   47    48   340.000  1.090
   47    53   260.000  1.519
   53    54   340.000  1.090
   53    55   340.000  1.090
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    66   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    71   335.000  1.682
   71    72   735.000  1.471
   71    73   735.000  1.471
   71    74   735.000  1.471
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   240.000  1.763
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    56   400.000  1.384
   56    57   434.000  1.010
   56    60   490.000  1.335
   60    61   570.000  1.229
   60    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    53    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    53    47    70.00000  112.98000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    43    85.00000  102.41200
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    45    46    75.00000  131.60000
   39    45    51    95.00000   92.72400
   39    47    51   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    53    80.00000  110.05700
   45    51    52    40.00000  113.37500
   45    51    47   100.00000   86.36000
   45    51    58    63.00000  111.10000
   51    45    46    60.00000  136.58000
   51    47    48    37.50000  110.70000
   51    47    53    65.00000  119.52000
   51    58    59    45.00000  111.22300
   51    58    62    70.00000  112.98000
   51    58    66    50.00000  109.50000
   47    39    45   100.00000   93.00000
   47    51    52    37.50000  110.70000
   47    53    54    45.00000  111.22300
   47    53    55    45.00000  111.22300
   53    33    37    70.00000  112.02700
   53    47    48    45.00000  112.72800
   55    53    54    33.00000  107.80000
   58    51    52    45.00000  112.72800
   58    51    47    65.00000  119.52000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   58    66    71   100.00000  113.05000
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    62    50.00000  109.50000
   66    71    72   135.00000  106.70400
   66    71    73   135.00000  106.70400
   66    71    74   135.00000  106.70400
   73    71    72   115.00000  120.17200
   74    71    72   115.00000  120.17200
   74    71    73   115.00000  120.17200
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    53    75.00000  111.63000
   38    43    44    40.00000  115.49800
   38    43    49    65.00000  122.11800
   43    49    50    35.00000  120.00000
   43    49    56    75.00000  120.83300
   49    43    44    35.00000  120.00000
   49    56    57    45.00000  117.55000
   49    56    60    70.00000  120.89900
   56    49    50    45.00000  111.09300
   56    60    61    80.00000  122.90000
   56    60    67    70.00000  116.60000
   60    56    57    35.00000  119.80000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   67    60    61    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   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    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    45   0.00000  1.0 1.0
   33    37   -39    47   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    38    43    44   1.00000 -1.0 2.0
   33    38    43    49   1.00000 -1.0 2.0
   37    33   -53    47   0.34400  1.0 1.0
   37    33   -53    47   0.09450 -1.0 2.0
   37    33   -53    47   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    43   0.00000  1.0 1.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    51   3.00000 -1.0 2.0
   37    39   -47    51   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    53   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    45    51    52   0.00000  1.0 1.0
   39    45   -51    47   3.00000 -1.0 2.0
   39    45    51    58   1.39750  1.0 1.0
   39    45    51    58  -0.07950 -1.0 2.0
   39    45    51    58  -0.18750  1.0 3.0
   39    47   -53    33   0.43900  1.0 1.0
   39    47   -53    33   0.49100 -1.0 2.0
   39    47   -53    33   0.28400  1.0 3.0
   39    47    53    54   0.15000  1.0 3.0
   39    47    53    55   0.15000  1.0 3.0
   45    39   -47    51   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    53   0.00000  1.0 1.0
   45    51   -47    39   3.00000 -1.0 2.0
   45    51   -47    48   0.15000  1.0 3.0
   45    51   -47    53  -0.95700  1.0 1.0
   45    51   -47    53  -0.18200 -1.0 2.0
   45    51   -47    53   0.29450  1.0 3.0
   45    51    58    59  -0.11250  1.0 3.0
   45    51    58    62  -0.95700  1.0 1.0
   45    51    58    62  -0.18200 -1.0 2.0
   45    51    58    62   0.29450  1.0 3.0
   45    51    58    66  -0.09450  1.0 1.0
   45    51    58    66  -1.12950 -1.0 2.0
   45    51    58    66   0.54000  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    47  -0.11250  1.0 1.0
   46    45    51    47   0.11400 -1.0 2.0
   46    45    51    47  -0.28950  1.0 3.0
   46    45    51    58   0.30150 -1.0 2.0
   51    47    53    33   0.04050  1.0 1.0
   51    47    53    33   0.63700 -1.0 2.0
   51    47    53    33   0.17650  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    55   0.00000  1.0 1.0
   51    58    62    63   0.15000  1.0 3.0
   51    58    62    64   0.15000  1.0 3.0
   51    58    62    65   0.15000  1.0 3.0
   51    58    66    71   0.37500  1.0 3.0
   52    51   -47    39   0.15000  1.0 3.0
   52    51    47    48   0.15000  1.0 3.0
   52    51    47    53   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   52    51    58    66   0.23400  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    51   3.00000 -1.0 2.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    62   0.04050  1.0 1.0
   47    51    58    62   0.63700 -1.0 2.0
   47    51    58    62   0.17650  1.0 3.0
   47    51    58    66   0.62750  1.0 1.0
   47    51    58    66  -0.30950 -1.0 2.0
   47    51    58    66   0.27300  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   53    33   -37    39  -0.93550  1.0 1.0
   53    33   -37    39   0.38900 -1.0 2.0
   53    33   -37    39   0.16950  1.0 3.0
   53    33    37    40   0.09850  1.0 1.0
   53    33    37    40   0.15250 -1.0 2.0
   53    33    37    40  -0.50650  1.0 3.0
   53    33    38    43   0.00000  1.0 1.0
   58    51   -47    39   0.43900  1.0 1.0
   58    51   -47    39   0.49100 -1.0 2.0
   58    51   -47    39   0.28400  1.0 3.0
   58    51    47    48   0.15000  1.0 3.0
   58    51    47    53   0.56750  1.0 1.0
   58    51    47    53  -0.07550 -1.0 2.0
   58    51    47    53   0.20000  1.0 3.0
   58    66    71    72   0.29800  1.0 3.0
   58    66    71    73   0.29800  1.0 3.0
   58    66    71    74   0.29800  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    58    66    71   0.00000  1.0 1.0
   62    58    66    71   0.37500  1.0 3.0
   66    58    62    63   0.23400  1.0 3.0
   66    58    62    64   0.23400  1.0 3.0
   66    58    62    65   0.23400  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    53    47   0.44750  1.0 1.0
   38    33    53    47  -0.17800 -1.0 2.0
   38    33    53    47   0.20200  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    56   7.00000 -1.0 2.0
   43    49    56    57   0.78350 -1.0 2.0
   43    49    56    60  -0.18900  1.0 1.0
   43    49    56    60   1.70900 -1.0 2.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    56   7.00000 -1.0 2.0
   49    56    60    61   2.67200 -1.0 2.0
   49    56    60    67   0.67100  1.0 1.0
   49    56    60    67   1.42150 -1.0 2.0
   49    56    60    67   0.18700  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   1.44600  1.0 1.0
   56    60    67    68   0.00000  1.0 1.0
   56    60    67    69   0.00000  1.0 1.0
   56    60    67    70   0.00000  1.0 1.0
   57    56    60    61   2.45000 -1.0 2.0
   57    56    60    67   2.45000 -1.0 2.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    67    69   0.00000  1.0 1.0
   61    60    67    70   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   47    45    39    37   1.00000 -1.0 2.0
   39    51    45    46  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   38    44    43    49  15.00000 -1.0 2.0
   56    50    49    43  15.00000 -1.0 2.0
   57    60    56    49   1.00000 -1.0 2.0
   56    67    60    61  10.50000 -1.0 2.0
END
