* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    143    225     413
    1     0 S   NP   _N1_     1    27.94090    92.94554   -21.88897
    2     1 S   H    _HN1     2     1.02782    89.45099  -112.18133
    3     1 S   H    _H1_     3     1.02955    97.38713    -3.77112
    4     1 S   H    _H2_     4     1.02840    25.50858   110.73610
    5     1 S   CT   _CA1     5     1.50124   135.62852   125.71211
    6     5 S   HC   _HA1     6     1.09568   105.24082    52.39407
    7     5 S   CO3  _C1_     7     1.53818   112.35246   -67.88201
    8     7 S   O2Z  _O11     8     1.26395   115.04989   -43.46877
    9     7 S   O2Z  _O12     9     1.26235   114.95707   135.81402
   10     5 S   CT   _CB1    10     1.53121   107.44394   170.40632
   11    10 S   HC   HB11    11     1.09823   109.49957   -49.33265
   12    10 S   HC   HB12    12     1.09821   110.32797    67.26030
   13    10 S   CT   _CG1    13     1.53027   112.66776  -170.37818
   14    13 S   HC   HG11    14     1.09609   110.42470   -61.52500
   15    13 S   HC   HG12    15     1.09640   110.01361    57.67314
   16    13 S   C    _CD1    16     1.51868   112.31706   178.15613
   17    16 S   O    _OE1    17     1.22742   123.29581    -3.29337
   18    16 S   N    _N2_    18     1.38490   111.63740   176.38827
   19    18 S   H    _HN2    19     1.01560   119.07051     5.72211
   20    18 S   CT1  _CA2    20     1.45988   123.19542  -178.48754
   21    20 S   HC   _HA2    21     1.09731   108.96111    19.39410
   22    20 S   C    _C2_    22     1.52839   107.22009   -97.81667
   23    22 S   O    _O2_    23     1.22959   122.91802   -25.47049
   24    20 S   CT   _CB2    32     1.53480   111.79123   142.13069
   25    24 S   HC   HB21    33     1.09260   109.19254    58.40250
   26    24 S   HC   HB22    34     1.09450   110.18409   177.08839
   27    22 S   N    _N3_    24     1.38613   112.45052   157.21445
   28    27 S   H    _HN3    25     1.01515   119.71986     1.31953
   29    24 S   S    _SG2    35     1.82606   110.01494   -63.02090
   30    27 S   CT   _CA3    26     1.45443   122.71997   176.12384
   31    30 S   HC   HA31    27     1.09547   108.83146    32.74133
   32    30 S   HC   HA32    28     1.09481   107.23772   149.77403
   33    29 S   CT   _C5_    36     1.88378   102.96898   167.52209
   34    30 S   CO3  _C3_    29     1.53013   113.46979   -90.31958
   35    34 S   O2Z  _O31    30     1.26380   115.66132   -37.37778
   36    34 S   O2Z  _O32    31     1.26390   114.81970   143.50233
   37    33 S   CM   _C10    37     1.54402   105.25598   175.46400
   38    33 S   CT   _C4_    74     1.53960   109.21989    55.68461
   39    38 S   HC   _H6_    75     1.09586   111.78514   -69.65180
   40    38 S   HC   _H7_    76     1.09685   110.70535   171.82771
   41    38 S   HC   _H8_    77     1.09578   112.66127    51.44383
   42    37 S   N4   _N4_    38     1.36307   118.30519    87.61085
   43    37 S   CMA  _C11    71     1.52740   120.87878   -82.54234
   44    43 S   OM   _O34    72     1.26363   119.62386  -103.39658
   45    43 S   OM   _O35    73     1.26277   121.60093    77.06089
   46    42 S   C4   _C9_    39     1.35265   137.62443  -157.56826
   47    46 S   O    _O33    40     1.20839   134.61125     0.03956
   48    42 S   C4T  _C7_    43     1.45163   125.04131    35.83063
   49    48 S   HC   _H3_    44     1.09802   111.88128    73.29198
   50    46 S   C4T  _C8_    41     1.56710    89.24046   175.93475
   51    50 S   HC   _H4_    42     1.09517   113.91618   127.28721
   52    48 S   S    _S1_    45     1.80664   111.47938   -54.77042
   53    33 S   CT   _C6_    46     1.55414   110.48318   -62.80998
   54    53 S   HC   _H9_    47     1.09311   112.29945    58.88260
   55    53 S   HC   _H10    48     1.09791   109.63158   175.85442
   56    50 S   N    _N5_    49     1.48063   113.65659  -102.43667
   57    56 S   H    _H11    50     1.01737   118.40340    88.94444
   58    56 S   C    _C12    51     1.38765   123.12707   -89.42846
   59    58 S   O    _O36    52     1.22984   124.11247    -0.51167
   60    58 S   CT1  _C13    53     1.53280   112.59245   179.06980
   61    60 S   HC   _H5_    54     1.09585   110.32446     9.06098
   62    60 S   CM   _C14    55     1.51870   108.49320   127.78328
   63    60 S   NT   _N6_    68     1.46525   106.48825  -107.14614
   64    63 S   H    _H19    69     1.02281   108.28689   171.68870
   65    63 S   H    _H20    70     1.02000   109.38499    57.59197
   66    62 S   CM   _C15    56     1.34822   124.16061   105.35949
   67    66 S   HC   _H12    57     1.08653   120.28596    -1.19255
   68    66 S   CT   _C16    58     1.50154   124.21350   179.22292
   69    68 S   HC   _H13    59     1.09592   108.73962  -122.02536
   70    68 S   HC   _H14    60     1.09589   108.77983   121.23723
   71    68 S   CM   _C17    61     1.49748   114.01969    -0.43566
   72    71 S   HC   _H15    62     1.08602   117.67018  -179.75934
   73    71 S   CM   _C18    63     1.33933   122.86428     0.18663
   74    73 S   HC   _H16    64     1.08623   119.33501  -179.92598
   75    62 S   CT   _C19    65     1.51775   114.84232   -75.75824
   76    75 S   HC   _H17    66     1.09634   109.29273    59.55064
   77    75 S   HC   _H18    67     1.09648   109.00211   -57.69649
  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  12   5   4   3
  15   2   1   1  17   9   3   2   1  12   5   1   1   9   4  10
   5   8   4   4   2   1   1   7   3   9   4  12   6  14   4   1
   1  10   5   7   4   3   6   3   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    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    42    52    53    54    55    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    48    52    53    54    55    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    47    50    48    49    52    53    54    55    43    44    45    38    39    40    41  
   39    40    41    42    43    52    53    54    55  
   40    41    53  
   41    53  
   53  
   46    47    50    51    48    49    52    53    56    43    44    45  
   44    45    46    48    53  
   45  
    0  
   47    50    51    48    49    52    56    57    58  
   50    51    48    56  
   49    52    53    54    55    56    57    58    50    51  
   52    53    56    50    51  
   51    52    53    56    57    58    59    60  
   52    56    57    58  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60    61    62    66    75    63    64    65  
   60    61    62    63  
   61    62    66    67    68    73    75    76    77    63    64    65  
   62    66    75    63    64    65  
   66    67    68    69    70    71    73    74    75    76    77    63    64    65  
   64    65    66    75  
   65  
    0  
   67    68    69    70    71    72    73    75    76    77  
   68    69    70    71    75  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.047500   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  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    43   465.000  1.376
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    50   250.000  1.540
   50    51   340.000  1.090
   50    48   268.000  1.529
   50    56   337.000  1.449
   48    49   340.000  1.090
   48    52   200.000  1.824
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   434.000  1.010
   56    58   490.000  1.335
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   305.000  1.457
   62    66   549.000  1.340
   62    75   317.000  1.510
   66    67   340.000  1.080
   66    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   63    64   434.000  1.010
   63    65   434.000  1.010
   43    44   745.000  1.250
   43    45   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  111.63000
   33    37    42    70.00000  113.82800
   33    37    43    70.00000  124.00000
   33    53    52    75.00000  111.63000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  137.10300
   42    46    47    75.00000  131.60000
   42    46    50    95.00000   92.72400
   42    48    50   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    52    80.00000  108.62000
   46    50    51    40.00000  113.37500
   46    50    48   100.00000   86.36000
   46    50    56    75.00000  110.24000
   50    46    47    60.00000  136.58000
   50    48    49    37.50000  110.70000
   50    48    52    65.00000  119.05700
   50    56    57    38.00000  118.40000
   50    56    58    50.00000  121.90000
   48    42    46   100.00000   93.00000
   48    50    51    37.50000  110.70000
   48    52    53    85.00000   99.86700
   52    48    49    45.00000  109.41400
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   53    33    37    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    50    51    50.00000  112.01000
   56    50    48    80.00000  110.05700
   56    58    59    80.00000  122.90000
   56    58    60    70.00000  116.60000
   58    56    57    35.00000  119.80000
   58    60    61    35.00000  109.50000
   58    60    62    70.00000  115.00700
   58    60    63    75.00000  111.54000
   60    58    59    80.00000  120.40000
   60    62    66    70.00000  124.00000
   60    62    75    65.00000  117.92700
   60    63    64    50.00000  111.55300
   60    63    65    50.00000  111.55300
   62    60    61    35.00000  109.50000
   62    66    67    35.00000  120.00000
   62    66    68    70.00000  124.00000
   62    75    73    70.00000  110.12100
   62    75    76    35.00000  109.50000
   62    75    77    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    70.00000  110.12100
   68    66    67    35.00000  117.00000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   75    62    66    70.00000  124.00000
   75    73    74    35.00000  117.00000
   77    75    76    33.00000  107.80000
   63    60    61    50.00000  109.55000
   63    60    62    75.00000  110.70900
   65    63    64    43.60000  106.40000
   43    37    42    75.00000  120.83300
   45    43    44    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    53    52   0.56750  1.0 1.0
   29    33    53    52  -0.07550 -1.0 2.0
   29    33    53    52   0.20000  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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37    42    48   0.00000  1.0 1.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    53    52   0.56750  1.0 1.0
   37    33    53    52  -0.07550 -1.0 2.0
   37    33    53    52   0.20000  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    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    50   3.00000 -1.0 2.0
   37    42   -48    50   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    52   0.00000  1.0 1.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    45   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46   -50    48   3.00000 -1.0 2.0
   42    46    50    56   0.00000  1.0 1.0
   42    48    52    53   0.01700  1.0 1.0
   42    48    52    53  -0.23550 -1.0 2.0
   42    48    52    53   0.21350  1.0 3.0
   46    42   -48    50   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    52   0.00000  1.0 1.0
   46    50   -48    42   3.00000 -1.0 2.0
   46    50   -48    49   0.15000  1.0 3.0
   46    50   -48    52   0.00000  1.0 1.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    58  -0.42300  1.0 1.0
   46    50    56    58  -0.07000 -1.0 2.0
   46    50    56    58   0.04150  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    48  -0.11250  1.0 1.0
   47    46    50    48   0.11400 -1.0 2.0
   47    46    50    48  -0.28950  1.0 3.0
   47    46    50    56   0.30150 -1.0 2.0
   50    48    52    53   0.25150  1.0 1.0
   50    48    52    53  -1.17200 -1.0 2.0
   50    48    52    53   0.53050  1.0 3.0
   50    56    58    59   3.04450 -1.0 2.0
   50    56    58    60   1.15000  1.0 1.0
   50    56    58    60   3.04450 -1.0 2.0
   51    50   -48    42   0.15000  1.0 3.0
   51    50    48    49   0.15000  1.0 3.0
   51    50    48    52   0.00000  1.0 1.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    50   3.00000 -1.0 2.0
   48    50    56    57   0.00000  1.0 1.0
   48    50    56    58  -0.43950  1.0 1.0
   48    50    56    58  -0.08100 -1.0 2.0
   48    50    56    58   0.03350  1.0 3.0
   48    52   -53    33  -0.25000 -1.0 2.0
   48    52   -53    33  -0.01800  1.0 3.0
   48    52    53    54   0.32350  1.0 3.0
   48    52    53    55   0.32350  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   53    33   -37    42  -0.93550  1.0 1.0
   53    33   -37    42   0.38900 -1.0 2.0
   53    33   -37    42   0.16950  1.0 3.0
   53    33    37    43   0.09850  1.0 1.0
   53    33    37    43   0.15250 -1.0 2.0
   53    33    37    43  -0.50650  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33    38    41   0.15000  1.0 3.0
   56    50   -48    42   2.20050  1.0 1.0
   56    50   -48    42   0.63450 -1.0 2.0
   56    50   -48    42  -0.91300  1.0 3.0
   56    50    48    49   0.15000  1.0 3.0
   56    50    48    52   0.00000  1.0 1.0
   56    58    60    61   0.00000  1.0 1.0
   56    58    60    62   0.00000  1.0 1.0
   56    58    60    63   0.00000  1.0 1.0
   57    56    58    59   2.45000 -1.0 2.0
   57    56    58    60   2.45000 -1.0 2.0
   58    60    62    66  -0.51250  1.0 1.0
   58    60    62    66  -0.88800 -1.0 2.0
   58    60    62    66   0.08850  1.0 3.0
   58    60    62    75   0.17250  1.0 1.0
   58    60    62    75  -0.04100 -1.0 2.0
   58    60    62    75  -0.33850  1.0 3.0
   58    60    63    64   0.21900  1.0 1.0
   58    60    63    64  -0.24900 -1.0 2.0
   58    60    63    64   0.15200  1.0 3.0
   58    60    63    65   0.21900  1.0 1.0
   58    60    63    65  -0.24900 -1.0 2.0
   58    60    63    65   0.15200  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.30150 -1.0 2.0
   59    58    60    63   0.30150 -1.0 2.0
   60    62    66    67   7.00000 -1.0 2.0
   60    62    66    68   7.00000 -1.0 2.0
   60    62    75    73   0.09700  1.0 1.0
   60    62    75    73   0.15600 -1.0 2.0
   60    62    75    73  -0.50800  1.0 3.0
   60    62    75    76   0.34800  1.0 3.0
   60    62    75    77   0.34800  1.0 3.0
   61    60    62    66   0.00000  1.0 1.0
   61    60    62    75   0.34800  1.0 3.0
   61    60    63    64   0.20000  1.0 3.0
   61    60    63    65   0.20000  1.0 3.0
   62    60    63    64   0.12450  1.0 1.0
   62    60    63    64  -0.40750 -1.0 2.0
   62    60    63    64   0.30300  1.0 3.0
   62    60    63    65   0.12450  1.0 1.0
   62    60    63    65  -0.40750 -1.0 2.0
   62    60    63    65   0.30300  1.0 3.0
   62    66    68    69   0.00000  1.0 1.0
   62    66    68    70   0.00000  1.0 1.0
   62    66    68    71  -0.28300  1.0 1.0
   62    66    68    71   0.26700 -1.0 2.0
   62    66    68    71  -0.63300  1.0 3.0
   66    62    75    73  -0.28300  1.0 1.0
   66    62    75    73   0.26700 -1.0 2.0
   66    62    75    73  -0.63300  1.0 3.0
   66    62    75    76   0.00000  1.0 1.0
   66    62    75    77   0.00000  1.0 1.0
   66    68    71    72   0.00000  1.0 1.0
   66    68   -71    73  -0.28300  1.0 1.0
   66    68   -71    73   0.26700 -1.0 2.0
   66    68   -71    73  -0.63300  1.0 3.0
   67    66    68    69   0.33100  1.0 3.0
   67    66    68    70   0.33100  1.0 3.0
   67    66    68    71   0.00000  1.0 1.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    75   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73   -75    62  -0.28300  1.0 1.0
   71    73   -75    62   0.26700 -1.0 2.0
   71    73   -75    62  -0.63300  1.0 3.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    75   7.00000 -1.0 2.0
   74    73    75    62   0.00000  1.0 1.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   75    62    66    67   7.00000 -1.0 2.0
   75    62   -66    68   7.00000 -1.0 2.0
   63    60    62    66   0.90200  1.0 1.0
   63    60    62    66   0.57900 -1.0 2.0
   63    60    62    66  -0.62100  1.0 3.0
   63    60    62    75   0.52100  1.0 1.0
   63    60    62    75  -0.20350 -1.0 2.0
   63    60    62    75   0.29750  1.0 3.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    53    52   0.44750  1.0 1.0
   38    33    53    52  -0.17800 -1.0 2.0
   38    33    53    52   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
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    42    37    43   1.10000 -1.0 2.0
   48    46    42    37   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   57    58    56    50   1.00000 -1.0 2.0
   56    60    58    59  10.50000 -1.0 2.0
   60    75    62    66   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   68    72    71    73   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
