* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    139    209     408
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02001    94.19245    33.15462
    3     1 S   H    _H1_     3     1.02103    33.50497   151.21839
    4     1 S   H    _H2_     4     1.02107    85.99385   -75.35453
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C12    36     1.86056   100.72582   159.96621
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C9_    37     1.56181   110.30546    60.05615
   38    37 S   HC   _H3_    38     1.09686   109.20989   -60.99648
   39    33 S   OH   _O36    65     1.43450   110.02406   176.47352
   40    39 S   HO   _H18    66     0.97110   106.76348   -59.14469
   41    33 S   OS   _O37    67     1.44393   111.35484   -56.88145
   42    37 S   CT   _C10    39     1.54351   112.13477   179.55413
   43    42 S   HC   _H14    40     1.09692   110.44511    38.84275
   44    42 S   HC   _H15    41     1.09624   110.40441   -80.25496
   45    37 S   N    _N4_    47     1.45018   111.77655    56.63070
   46    45 S   H    _H13    48     1.01334   118.26154    60.78308
   47    41 S   CA   _C13    68     1.36569   122.35169   -90.30519
   48    42 S   C    _C11    42     1.52122   113.42124   160.23197
   49    48 S   O    _O35    43     1.22732   124.18064    -2.20576
   50    45 S   CO4  _C8_    49     1.37632   123.55282  -119.22913
   51    50 S   O    _O34    50     1.22654   125.90907    -0.00000
   52    47 S   CA   _C14    69     1.39468   119.95235    30.02771
   53    52 S   HA   _H19    70     1.08621   120.42017     0.03956
   54    48 S   N    _N5_    44     1.37949   112.20967   177.23990
   55    54 S   H    _H16    45     1.01462   120.90614    -0.00000
   56    54 S   H    _H17    46     1.01465   122.35386  -180.00000
   57    50 S   OS   _O33    51     1.36642   109.53598  -180.00000
   58    52 S   CA   _C15    71     1.39543   119.99667   179.97202
   59    58 S   HA   _H20    72     1.08689   119.27617  -179.96044
   60    57 S   CT   _C5_    52     1.43202   115.88362   179.97202
   61    58 S   CA   _C16    73     1.39568   119.98060     0.02798
   62    60 S   CT   _C4_    53     1.52827   108.51938    59.99976
   63    62 S   HC   _H4_    54     1.09610   110.83517   -62.28127
   64    62 S   HC   _H5_    55     1.09436   111.61574    58.83544
   65    62 S   HC   _H6_    56     1.09599   110.85623   179.84423
   66    60 S   CT   _C6_    57     1.52710   107.51310   179.65452
   67    66 S   HC   _H7_    58     1.09662   110.81354    61.67252
   68    66 S   HC   _H8_    59     1.09529   110.89053   -56.23781
   69    66 S   HC   _H9_    60     1.09505   111.65797  -177.33178
   70    60 S   CT   _C7_    61     1.52770   108.54098   -60.62821
   71    70 S   HC   _H10    62     1.09633   110.92097   -60.84599
   72    70 S   HC   _H11    63     1.09447   111.64442    60.15541
   73    70 S   HC   _H12    64     1.09637   110.78573  -178.77699
   74    61 S   CA   _C17    74     1.39539   119.97264    -0.03426
   75    74 S   HA   _H21    75     1.08757   120.75051   179.97202
   76    61 S   NO2  _N6_    78     1.41948   120.02527   179.97202
   77    76 S   ON   _O39    79     1.25471   118.95110    -0.01978
   78    76 S   ON   _O38    80     1.25432   119.01062   179.98022
   79    47 S   CA   _C18    76     1.39477   120.01239  -149.96591
   80    79 S   HA   _H22    77     1.08654   120.35924     0.01978
  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   2   1   1  16   9   5   1   9  10   5   4   6   3   9   4
   3   6   2   8   4   2   1   1  13   8   3  12   7  11   4   3
   2   7   3   2   1   3   2   1   1   6   3   3   1   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    39    40    41    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    45    46    50    39    40    41    47    52    79  
   35    36  
   36  
    0  
   38    42    43    44    48    49    54    45    46    50    51    57    39    40    41    47  
   42    43    44    48    45    46    50    39    41  
   40    41    47    42    45  
   41  
   47    52    53    58    74    79    80    42    45  
   43    44    48    49    54    55    56    45    46    50  
   44    48    49    54    45  
   48    49    54    45  
   46    50    51    57    60    48  
   50    51    57  
   52    53    58    59    61    74    75    79    80  
   49    54    55    56  
   54    55    56  
   51    57    60    62    66    70  
   57    60  
   53    58    59    61    74    79    80    76  
   58    59    61    79  
   55    56  
   56  
    0  
   60    62    63    64    65    66    67    68    69    70    71    72    73  
   59    61    74    75    79    76    77    78  
   61    74    76  
   62    63    64    65    66    67    68    69    70    71    72    73  
   74    75    79    80    76    77    78  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    70  
   65    66    70  
   66    70  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    76    77    78  
   79    80    76  
   77    78    79  
   78  
    0  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.372200   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.438900   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.7500   0.1050   0.515900   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   56   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   77   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   78   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   250.000  1.527
   33    39   380.000  1.407
   33    41   320.000  1.380
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   337.000  1.449
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    54   490.000  1.335
   54    55   434.000  1.010
   54    56   434.000  1.010
   45    46   434.000  1.010
   45    50   435.000  1.380
   50    51   570.000  1.229
   50    57   214.000  1.327
   57    60   320.000  1.410
   60    62   268.000  1.529
   60    66   268.000  1.529
   60    70   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   39    40   553.000  0.945
   41    47   450.000  1.364
   47    52   469.000  1.400
   47    79   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    74   469.000  1.400
   61    76   400.000  1.460
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   76    77   550.000  1.225
   76    78   550.000  1.225
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  111.63000
   29    33    39    85.00000  114.68000
   29    33    41    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    42    75.00000  109.43000
   33    37    45    70.00000  110.72300
   33    39    40    70.00000  107.92000
   33    41    47   100.00000  112.36700
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    63.00000  111.10000
   37    45    46    38.00000  118.40000
   37    45    50    70.00000  120.44000
   42    37    38    37.50000  110.70000
   42    48    49    80.00000  120.40000
   42    48    54    70.00000  116.60000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    54    55    35.00000  119.80000
   48    54    56    35.00000  119.80000
   54    48    49    80.00000  122.90000
   56    54    55    35.00000  120.00000
   45    37    38    35.00000  109.50000
   45    37    42    70.00000  110.72300
   45    50    51    85.00000  125.96000
   45    50    57   110.00000  108.75700
   50    45    46    50.00000  116.34900
   50    57    60    83.00000  116.90000
   57    50    51    83.00000  123.40000
   57    60    62    50.00000  109.50000
   57    60    66    50.00000  109.50000
   57    60    70    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    65    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    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    60    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    60    62    58.35000  112.70000
   70    60    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   39    33    37    90.00000  110.19100
   41    33    37    90.00000  108.56700
   41    33    39   110.00000  112.08000
   41    47    52    70.00000  120.00000
   41    47    79    70.00000  120.00000
   47    52    53    35.00000  120.00000
   47    52    58    63.00000  120.00000
   47    79    74    63.00000  120.00000
   47    79    80    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    61    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    61    74    63.00000  120.00000
   58    61    76    85.00000  120.00000
   61    58    59    35.00000  120.00000
   61    74    75    35.00000  120.00000
   61    74    79    63.00000  120.00000
   61    76    77    80.00000  117.50000
   61    76    78    80.00000  117.50000
   74    79    80    35.00000  120.00000
   79    47    52    63.00000  120.00000
   79    74    75    35.00000  120.00000
   76    61    74    85.00000  120.00000
   78    76    77    80.00000  125.30000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   29    33    41    47   0.14700  1.0 1.0
   29    33    41    47  -1.16150 -1.0 2.0
   29    33    41    47   0.48700  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    48  -0.95700  1.0 1.0
   33    37    42    48  -0.18200 -1.0 2.0
   33    37    42    48   0.29450  1.0 3.0
   33    37    45    46   0.00000  1.0 1.0
   33    37    45    50  -0.43950  1.0 1.0
   33    37    45    50  -0.08100 -1.0 2.0
   33    37    45    50   0.03350  1.0 3.0
   33    41    47    52   1.63200 -1.0 2.0
   33    41    47    79   1.63200 -1.0 2.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    33    41    47  -0.32850  1.0 1.0
   37    33    41    47  -0.35800 -1.0 2.0
   37    33    41    47   0.33950  1.0 3.0
   37    42    48    49   0.30150 -1.0 2.0
   37    42    48    54   1.39750  1.0 1.0
   37    42    48    54  -0.07950 -1.0 2.0
   37    42    48    54  -0.18750  1.0 3.0
   37    45    50    51   3.04450 -1.0 2.0
   37    45    50    57   2.45000 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48  -0.11250  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    50   0.00000  1.0 1.0
   42    37    45    46   0.00000  1.0 1.0
   42    37    45    50  -0.43950  1.0 1.0
   42    37    45    50  -0.08100 -1.0 2.0
   42    37    45    50   0.03350  1.0 3.0
   42    48    54    55   2.45000 -1.0 2.0
   42    48    54    56   2.45000 -1.0 2.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    54   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    54   0.00000  1.0 1.0
   49    48    54    55   2.45000 -1.0 2.0
   49    48    54    56   2.45000 -1.0 2.0
   45    37    42    43   0.15000  1.0 3.0
   45    37    42    44   0.15000  1.0 3.0
   45    37    42    48  -2.10200  1.0 1.0
   45    37    42    48  -0.31600 -1.0 2.0
   45    37    42    48   0.13050  1.0 3.0
   45    50    57    60  -0.80800  1.0 1.0
   45    50    57    60   2.06850 -1.0 2.0
   46    45    50    51   2.45000 -1.0 2.0
   46    45    50    57   2.56700 -1.0 2.0
   50    57    60    62  -0.25900  1.0 1.0
   50    57    60    62  -0.47000 -1.0 2.0
   50    57    60    62   0.11750  1.0 3.0
   50    57    60    66  -0.25900  1.0 1.0
   50    57    60    66  -0.47000 -1.0 2.0
   50    57    60    66   0.11750  1.0 3.0
   50    57    60    70  -0.25900  1.0 1.0
   50    57    60    70  -0.47000 -1.0 2.0
   50    57    60    70   0.11750  1.0 3.0
   51    50    57    60   3.00000 -1.0 2.0
   57    60    62    63   0.23400  1.0 3.0
   57    60    62    64   0.23400  1.0 3.0
   57    60    62    65   0.23400  1.0 3.0
   57    60    66    67   0.23400  1.0 3.0
   57    60    66    68   0.23400  1.0 3.0
   57    60    66    69   0.23400  1.0 3.0
   57    60    70    71   0.23400  1.0 3.0
   57    60    70    72   0.23400  1.0 3.0
   57    60    70    73   0.23400  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   62    60    70    71   0.15000  1.0 3.0
   62    60    70    72   0.15000  1.0 3.0
   62    60    70    73   0.15000  1.0 3.0
   66    60    62    63   0.15000  1.0 3.0
   66    60    62    64   0.15000  1.0 3.0
   66    60    62    65   0.15000  1.0 3.0
   66    60    70    71   0.15000  1.0 3.0
   66    60    70    72   0.15000  1.0 3.0
   66    60    70    73   0.15000  1.0 3.0
   70    60    62    63   0.15000  1.0 3.0
   70    60    62    64   0.15000  1.0 3.0
   70    60    62    65   0.15000  1.0 3.0
   70    60    66    67   0.15000  1.0 3.0
   70    60    66    68   0.15000  1.0 3.0
   70    60    66    69   0.15000  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    42   0.86500  1.0 1.0
   39    33    37    42  -0.17500 -1.0 2.0
   39    33    37    42   0.20800  1.0 3.0
   39    33    37    45   2.76900  1.0 1.0
   39    33    37    45  -0.24350 -1.0 2.0
   39    33    37    45  -0.78250  1.0 3.0
   39    33    41    47  -0.25600  1.0 1.0
   39    33    41    47  -0.40050 -1.0 2.0
   39    33    41    47   0.34700  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    42   0.62750  1.0 1.0
   41    33    37    42  -0.30950 -1.0 2.0
   41    33    37    42   0.27300  1.0 3.0
   41    33    37    45   1.12100  1.0 1.0
   41    33    37    45  -0.16500 -1.0 2.0
   41    33    39    40  -0.50000  1.0 1.0
   41    33    39    40  -0.73950 -1.0 2.0
   41    33    39    40   0.17150  1.0 3.0
   41    47    52    53   3.62500 -1.0 2.0
   41    47    52    58   3.62500 -1.0 2.0
   41    47    79    74   3.62500 -1.0 2.0
   41    47    79    80   3.62500 -1.0 2.0
   47    52    58    59   3.62500 -1.0 2.0
   47    52    58    61   3.62500 -1.0 2.0
   52    47    79    74   3.62500 -1.0 2.0
   52    47    79    80   3.62500 -1.0 2.0
   52    58   -61    74   3.62500 -1.0 2.0
   52    58    61    76   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    61   3.62500 -1.0 2.0
   58    61    74    75   3.62500 -1.0 2.0
   58    61    74    79   3.62500 -1.0 2.0
   58    61    76    77   0.69950 -1.0 2.0
   58    61    76    78   0.69950 -1.0 2.0
   59    58    61    74   3.62500 -1.0 2.0
   59    58    61    76   3.62500 -1.0 2.0
   61    74   -79    47   3.62500 -1.0 2.0
   61    74    79    80   3.62500 -1.0 2.0
   74    61    76    77   0.69950 -1.0 2.0
   74    61    76    78   0.69950 -1.0 2.0
   75    74    79    47   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   79    47    52    53   3.62500 -1.0 2.0
   79    47   -52    58   3.62500 -1.0 2.0
   76    61    74    75   3.62500 -1.0 2.0
   76    61    74    79   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   42    54    48    49  10.50000 -1.0 2.0
   56    48    54    55   1.00000 -1.0 2.0
   46    50    45    37   1.00000 -1.0 2.0
   45    57    50    51  10.50000 -1.0 2.0
   52    79    47    41   4.00000 -1.0 2.0
   58    53    52    47   1.10000 -1.0 2.0
   61    59    58    52   1.10000 -1.0 2.0
   74    76    61    58   4.00000 -1.0 2.0
   79    75    74    61   1.10000 -1.0 2.0
   74    80    79    47   1.10000 -1.0 2.0
   77    61    76    78  10.50000 -1.0 2.0
END
