* LIGAND DATABASE FILE (OPLS2005)
*
001      75    74    127    186     369
    1     0 S   NP   _N1_     1    30.12584    98.04542   -18.50882
    2     1 S   H    _HN1     2     1.02786    70.28639   -84.07535
    3     1 S   H    _H1_     3     1.02951    74.81906    32.21535
    4     1 S   H    _H2_     4     1.02835    61.73162   151.71077
    5     1 S   CT   _CA1     5     1.50073   172.26361   166.11429
    6     5 S   HC   _HA1     6     1.09581   105.23380    45.73263
    7     5 S   CO3  _C1_     7     1.53710   112.36298   -74.45480
    8     7 S   O2Z  _O11     8     1.26344   115.05897   -47.39839
    9     7 S   O2Z  _O12     9     1.26243   114.86634   131.73460
   10     5 S   CT   _CB1    10     1.53045   107.43801   163.52779
   11    10 S   HC   HB11    11     1.09825   109.24170   -51.97883
   12    10 S   HC   HB12    12     1.09808   110.51477    64.54125
   13    10 S   CT   _CG1    13     1.52961   112.58804  -173.07089
   14    13 S   HC   HG11    14     1.09586   110.48217   -65.17476
   15    13 S   HC   HG12    15     1.09663   109.95503    54.01151
   16    13 S   C    _CD1    16     1.51784   112.25542   174.28166
   17    16 S   O    _OE1    17     1.22710   123.34453     0.34264
   18    16 S   N    _N2_    18     1.38618   111.57194  -179.57022
   19    18 S   H    _HN2    19     1.01588   118.89762     0.59938
   20    18 S   CT1  _CA2    20     1.45888   123.36492   177.08919
   21    20 S   HC   _HA2    21     1.09729   109.29432    -6.66327
   22    20 S   C    _C2_    22     1.53583   107.92796  -121.75172
   23    22 S   O    _O2_    23     1.23033   122.42852  -147.91121
   24    20 S   CT   _CB2    32     1.53311   112.53332   115.72254
   25    24 S   HC   HB21    33     1.09289   111.53679    58.04947
   26    24 S   HC   HB22    34     1.09608   109.15258   174.91612
   27    22 S   N    _N3_    24     1.38369   113.54184    39.42828
   28    27 S   H    _HN3    25     1.01623   119.50720    -3.23912
   29    24 S   S    _SG2    35     1.82797   113.64473   -67.72676
   30    27 S   CT   _CA3    26     1.45277   123.18556   177.26906
   31    30 S   HC   HA31    27     1.09547   107.51393   -64.84589
   32    30 S   HC   HA32    28     1.09558   107.98101    51.59311
   33    29 S   CT   _C7_    36     1.84914   101.56599    91.33665
   34    33 S   HC   _H4_    37     1.09205   107.13085   -48.52050
   35    30 S   CO3  _C3_    29     1.52942   114.08131   173.61346
   36    35 S   O2Z  _O31    30     1.26371   116.05187     0.30647
   37    35 S   O2Z  _O32    31     1.26424   114.41430  -179.63955
   38    33 S   CM   _C8_    38     1.51322   109.00684    70.30773
   39    38 S   HC   _H9_    39     1.08962   116.39050    55.34180
   40    33 S   CT   _C5_    67     1.55174   111.22607  -165.53188
   41    40 S   HC   _H3_    68     1.09660   108.70439  -170.92002
   42    38 S   CM   _C9_    40     1.34501   127.32763  -122.85457
   43    42 S   HC   _H10    41     1.08882   118.01418   176.33040
   44    40 S   CO4  _C6_    69     1.52357   113.27624   -54.86016
   45    44 S   O    _O33    70     1.22722   124.62934   124.37496
   46    44 S   HC   _H8_    71     1.10330   115.48307   -57.85579
   47    40 S   CT   _C4_    72     1.53159   112.16474    71.61240
   48    47 S   HC   _H5_    73     1.09464   112.18628   -64.97175
   49    47 S   HC   _H6_    74     1.09457   110.77597    56.28770
   50    47 S   HC   _H7_    75     1.09585   110.58979   175.40991
   51    42 S   CM   _C10    42     1.45418   127.29155    -0.92344
   52    51 S   CM   _C11    43     1.34763   125.06466   -70.91815
   53    52 S   HC   _H11    44     1.08969   118.19513   179.31073
   54    51 S   CT   _C20    63     1.50561   114.20103   111.28969
   55    54 S   HC   _H21    64     1.09406   110.91735   -62.01788
   56    54 S   HC   _H22    65     1.09560   110.59803    58.30130
   57    54 S   HC   _H23    66     1.09553   112.11681   178.09094
   58    52 S   CM   _C12    45     1.44854   126.67957    -2.79078
   59    58 S   HC   _H12    46     1.08598   117.47040    -5.27786
   60    58 S   CM   _C13    47     1.34228   123.06114   175.70231
   61    60 S   HC   _H13    48     1.08493   119.16869    -0.33279
   62    60 S   CM   _C14    49     1.44828   122.66889  -179.69226
   63    62 S   HC   _H14    50     1.09040   114.68396     1.01143
   64    62 S   CM   _C15    51     1.34806   127.09460  -179.78330
   65    64 S   CM   _C17    52     1.45762   120.50930  -178.44003
   66    65 S   HC   _H18    53     1.08949   114.26495   119.10018
   67    64 S   CT   _C16    59     1.50507   126.29197    -1.10800
   68    67 S   HC   _H15    60     1.09573   110.45551  -115.59949
   69    67 S   HC   _H16    61     1.09183   113.65566     5.09505
   70    67 S   HC   _H17    62     1.09612   110.24262   124.87967
   71    65 S   CM   _C18    54     1.34040   128.22258   -62.28419
   72    71 S   HC   _H19    55     1.08580   119.71487   179.73980
   73    71 S   CO4  _C19    56     1.47813   124.50571    -2.03442
   74    73 S   O    _O34    57     1.22574   121.58977   177.21070
   75    73 S   HC   _H20    58     1.10054   116.91757    -3.38559
  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   9   5   4   3
  15   7   2   1   1  10   4   9   7   9   3   6   2   1   3   2
   1   1   9  10   4   4   2   1   1   6   3   6   3   9   3   9
  10   4   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    40    41    44    45    46    47    48    49    50  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    51    52    54    40    41    44    47  
   42    43    51    40  
   41    44    45    46    47    48    49    50    42  
   44    45    46    47    48    49    50  
   43    51    52    53    58    54    55    56    57  
   51    52    54  
   45    46    47    48    49    50  
   46    47  
   47  
   48    49    50  
   49    50  
   50  
    0  
   52    53    58    59    60    54    55    56    57  
   53    58    59    60    61    62    54    55    56    57  
   58    59    60    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65    67  
   62    63    64  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    74    75    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   75   2.4200   0.0150   0.000000   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    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   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   380.000  1.444
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   380.000  1.444
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   549.000  1.340
   71    72   340.000  1.080
   71    73   320.000  1.462
   73    74   570.000  1.229
   73    75   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   268.000  1.529
   44    45   570.000  1.229
   44    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    51    52    70.00000  123.01800
   42    51    54    70.00000  124.00000
   51    42    43    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  123.01800
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    60    70.00000  123.01800
   58    52    53    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  123.01800
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    70.00000  123.01800
   62    60    61    35.00000  120.00000
   62    64    65    70.00000  123.01800
   62    64    67    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  123.01800
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  120.00000
   65    71    73    65.00000  118.96000
   71    65    66    35.00000  120.00000
   71    73    74    80.00000  123.72100
   71    73    75    40.00000  115.75000
   73    71    72    40.00000  117.72500
   75    73    74    35.00000  123.00000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    46    35.00000  115.00000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  123.00000
   47    40    41    37.50000  110.70000
   47    40    44    63.00000  111.10000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    46   0.74550  1.0 1.0
   33    40    44    46  -0.00500 -1.0 2.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    42    51    52   0.28850  1.0 1.0
   38    42    51    52   2.61350 -1.0 2.0
   38    42    51    52   0.78400  1.0 3.0
   38    42    51    54  -0.18600  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    51   7.00000 -1.0 2.0
   42    51    52    53   7.00000 -1.0 2.0
   42    51    52    58   7.00000 -1.0 2.0
   42    51    54    55   0.00000  1.0 1.0
   42    51    54    56   0.00000  1.0 1.0
   42    51    54    57   0.00000  1.0 1.0
   43    42    51    52  -0.18600  1.0 3.0
   43    42    51    54   0.00000  1.0 1.0
   51    52    58    59  -0.18600  1.0 3.0
   51    52    58    60   0.28850  1.0 1.0
   51    52    58    60   2.61350 -1.0 2.0
   51    52    58    60   0.78400  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58    60    62   7.00000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60  -0.18600  1.0 3.0
   58    60    62    63  -0.18600  1.0 3.0
   58    60    62    64   0.28850  1.0 1.0
   58    60    62    64   2.61350 -1.0 2.0
   58    60    62    64   0.78400  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    67   7.00000 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64  -0.18600  1.0 3.0
   62    64    65    66  -0.18600  1.0 3.0
   62    64    65    71   0.28850  1.0 1.0
   62    64    65    71   2.61350 -1.0 2.0
   62    64    65    71   0.78400  1.0 3.0
   62    64    67    68   0.00000  1.0 1.0
   62    64    67    69   0.00000  1.0 1.0
   62    64    67    70   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    67   7.00000 -1.0 2.0
   64    65    71    72   7.00000 -1.0 2.0
   64    65    71    73   7.00000 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    73    74   1.00000 -1.0 2.0
   65    71    73    75  -0.79650  1.0 1.0
   65    71    73    75   1.60950 -1.0 2.0
   65    71    73    75  -0.26250  1.0 3.0
   66    65    71    72   7.00000 -1.0 2.0
   66    65    71    73   7.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.93100 -1.0 2.0
   67    64    65    66   0.00000  1.0 1.0
   67    64    65    71  -0.18600  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   44    40    47    48  -0.11250  1.0 3.0
   44    40    47    49  -0.11250  1.0 3.0
   44    40    47    50  -0.11250  1.0 3.0
   47    40    44    45   0.30150 -1.0 2.0
   47    40    44    46   0.74550  1.0 1.0
   47    40    44    46  -0.00500 -1.0 2.0
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
   33    39    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    54    51    52  15.00000 -1.0 2.0
   58    53    52    51  15.00000 -1.0 2.0
   52    59    58    60  15.00000 -1.0 2.0
   62    61    60    58  15.00000 -1.0 2.0
   60    63    62    64  15.00000 -1.0 2.0
   65    67    64    62  15.00000 -1.0 2.0
   64    66    65    71  15.00000 -1.0 2.0
   73    72    71    65  15.00000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
   40    46    44    45  10.50000 -1.0 2.0
END
