* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    150    223     428
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101    79.02234   -85.13583
    3     1 S   H    _H1_     3     1.02087    99.36962    22.24396
    4     1 S   H    _H2_     4     1.02068    36.62917   131.12040
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CT   _C19    36     1.85151    97.50692  -158.14697
   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   CM   _C18    37     1.51172   105.98546    79.95063
   38    37 S   HC   _H13    38     1.09513   119.17297   -84.44044
   39    33 S   OS   _O35    80     1.43023   109.20923   -35.71116
   40    37 S   CM   _C17    39     1.34391   122.23478    98.07341
   41    39 S   CT   _C20    81     1.41627   110.98907   154.67604
   42    41 S   HC   _H14    82     1.09240   109.52842   179.97202
   43    41 S   HC   _H15    83     1.09316   109.55419    59.15099
   44    41 S   HC   _H16    84     1.09314   108.95351   -60.42775
   45    40 S   CM   _C16    40     1.45962   121.16228    -0.88182
   46    40 S   OH   _O36    78     1.38113   119.78197  -179.64282
   47    46 S   HO   _H17    79     0.96210   109.76691    -0.08393
   48    45 S   CM   _C15    41     1.34901   119.28563    15.57592
   49    48 S   HC   _H12    42     1.08950   119.72544  -177.99445
   50    45 S   CT   _C21    70     1.50222   119.96755  -164.39079
   51    50 S   HC   _H18    71     1.09144   108.42652  -149.98695
   52    50 S   HC   _H19    72     1.09229   108.20242   -33.60867
   53    33 S   CT   _C14    43     1.56911   113.40026  -157.42453
   54    50 S   CM   _C22    73     1.49465   111.77070    89.34385
   55    54 S   HC   _H20    74     1.08803   117.68252    61.38839
   56    53 S   CM   _C5_    44     1.50381   113.56618    44.57321
   57    53 S   OS   _O37    65     1.44041   108.80210   162.18628
   58    54 S   CM   _C23    75     1.33781   123.85438  -119.90076
   59    58 S   HC   _H21    76     1.08490   121.54725   179.97202
   60    58 S   HC   _H22    77     1.08472   120.42950    -0.00000
   61    56 S   CM   _C6_    45     1.34724   120.27275   -97.40449
   62    61 S   HC   _H6_    46     1.08741   119.78159     1.31462
   63    56 S   CT   _C4_    61     1.50460   114.46195    81.96086
   64    63 S   HC   _H3_    62     1.09456   110.08768   -89.29931
   65    63 S   HC   _H4_    63     1.09469   110.09694   151.29848
   66    63 S   HC   _H5_    64     1.09387   113.37213    31.65925
   67    57 S   CT   _C24    66     1.41618   111.05490   159.86997
   68    67 S   HC   _H23    67     1.09297   109.54191   179.96044
   69    67 S   HC   _H24    68     1.09284   109.53952    59.16115
   70    67 S   HC   _H25    69     1.09300   108.98966   -60.39709
   71    61 S   CA   _C7_    47     1.46592   126.01679  -179.14316
   72    71 S   CA   _C8_    48     1.40641   119.66269   120.44727
   73    72 S   HA   _H7_    49     1.08723   120.44292     0.01978
   74    72 S   CA   _C9_    50     1.39731   120.59976   179.94766
   75    74 S   HA   _H8_    51     1.08411   120.86427  -179.97202
   76    74 S   CA   _C10    52     1.37959   117.65238     0.02798
   77    76 S   CA   _C11    53     1.37646   121.74078     0.03956
   78    71 S   CA   _C12    54     1.39782   119.75019   -59.56075
   79    78 S   HA   _H9_    55     1.08443   121.64456     0.00000
   80    77 S   OS   _O33    56     1.36150   112.31707  -179.98022
   81    80 S   CO   _C13    57     1.44242   100.99029    -0.07402
   82    81 S   HC   _H10    58     1.09617   108.67914  -120.87409
   83    81 S   HC   _H11    59     1.09645   108.65632   120.97491
   84    76 S   OS   _O34    60     1.36133   125.94595   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   2   1   1  12   5   9  10   4   2   1   1  13   3   1  11
   4   8   4   3  13   4   3  11   6   2   1   1  12   4   4   2
   1   1   3   2   1   1   9   8   4   7   3   8   7   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    53    56    57    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    48    49    53    56    61    63    57    67    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    48    53    56    57    50    46    47    39    41  
   40    45    53    46    39  
   41    42    43    44    40    48    53    56    57  
   45    48    49    53    50    51    52    54    46    47  
   42    43    44    53  
   43    44  
   44  
    0  
   48    49    53    56    57    50    51    52    54    55    58    46    47  
   47    48    50  
    0  
   49    53    56    61    63    57    67    50    51    52    54  
   53    56    57    50  
   51    52    54    55    58    59    60    53  
   52    54    55    58  
   54    55    58  
   56    61    62    71    63    64    65    66    57    67    68    69    70  
   55    58    59    60  
   58    59    60  
   61    62    71    72    78    63    64    65    66    57    67  
   67    68    69    70    61    63  
   59    60  
   60  
    0  
   62    71    72    73    74    77    78    79    63    64    65    66  
   71    72    78    63  
   64    65    66    71  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    84  
   74    75    76    78  
   75    76    77    78    80    81    84  
   76    77    84  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    84  
   80  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.417900   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    39   320.000  1.410
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    45   380.000  1.444
   40    46   510.000  1.338
   45    48   549.000  1.340
   45    50   317.000  1.510
   48    49   340.000  1.080
   48    53   317.000  1.510
   53    56   317.000  1.510
   53    57   320.000  1.410
   56    61   549.000  1.340
   56    63   317.000  1.510
   61    62   340.000  1.080
   61    71   320.000  1.460
   71    72   469.000  1.400
   71    78   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    84   450.000  1.364
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   80    81   320.000  1.380
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   46    47   553.000  0.945
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    53    48    70.00000  112.02700
   33    53    56    70.00000  112.02700
   33    53    57    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    70.00000  123.01800
   37    40    46    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    45    48    70.00000  123.01800
   40    45    50    70.00000  124.00000
   40    46    47    70.00000  107.45700
   45    48    49    35.00000  120.00000
   45    48    53    70.00000  124.00000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    54    70.00000  110.12100
   48    53    56    70.00000  110.12100
   48    53    57    85.00000  110.90400
   53    33    37    70.00000  112.02700
   53    48    49    35.00000  117.00000
   53    56    61    70.00000  124.00000
   53    56    63    65.00000  117.92700
   53    57    67    60.00000  109.50000
   56    61    62    35.00000  120.00000
   56    61    71    60.00000  123.20500
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   61    71    72    60.00000  120.93500
   61    71    78    60.00000  120.93500
   71    61    62    40.00000  117.26300
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    78    77    63.00000  120.00000
   71    78    79    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    84    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    80    70.00000  120.00000
   76    84    81   100.00000  112.36700
   77    78    79    35.00000  120.00000
   77    80    81   100.00000  112.36700
   78    71    72    63.00000  120.00000
   80    77    78    70.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    92.60000  111.55000
   83    81    82    33.00000  109.50000
   84    76    77    70.00000  120.00000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   63    56    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    53    56    85.00000  110.90400
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    45    48    70.00000  124.00000
   50    54    55    35.00000  117.00000
   50    54    58    70.00000  124.00000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   58    54    55    35.00000  120.00000
   60    58    59    35.00000  117.00000
   46    40    45    80.00000  121.38400
   39    33    37    85.00000  110.90400
   39    33    53    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    53    56    61   0.09850  1.0 1.0
   33    53    56    61   0.15250 -1.0 2.0
   33    53    56    61  -0.50650  1.0 3.0
   33    53    56    63   0.46850  1.0 1.0
   33    53    56    63   0.08550 -1.0 2.0
   33    53    56    63   0.09800  1.0 3.0
   33    53    57    67   0.06250  1.0 1.0
   33    53    57    67  -0.01100 -1.0 2.0
   33    53    57    67   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    53    48   0.31000  1.0 1.0
   37    33    53    48   0.14700 -1.0 2.0
   37    33    53    48   0.07550  1.0 3.0
   37    33    53    56   0.31000  1.0 1.0
   37    33    53    56   0.14700 -1.0 2.0
   37    33    53    56   0.07550  1.0 3.0
   37    33    53    57   0.61850  1.0 1.0
   37    33    53    57  -0.22750 -1.0 2.0
   37    33    53    57   0.15300  1.0 3.0
   37    33    39    41  -0.77900  1.0 1.0
   37    33    39    41  -0.36900 -1.0 2.0
   37    33    39    41   0.40400  1.0 3.0
   37    40   -45    48   0.28850  1.0 1.0
   37    40   -45    48   2.61350 -1.0 2.0
   37    40   -45    48   0.78400  1.0 3.0
   37    40    45    50  -0.18600  1.0 3.0
   37    40    46    47  -0.66100  1.0 1.0
   37    40    46    47   1.20850 -1.0 2.0
   37    40    46    47  -0.36000  1.0 3.0
   38    37    40    45   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    45    48    49   7.00000 -1.0 2.0
   40    45    48    53   7.00000 -1.0 2.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   40    45    50    54  -0.28300  1.0 1.0
   40    45    50    54   0.26700 -1.0 2.0
   40    45    50    54  -0.63300  1.0 3.0
   45    40    46    47  -0.66100  1.0 1.0
   45    40    46    47   1.20850 -1.0 2.0
   45    40    46    47  -0.36000  1.0 3.0
   45    48   -53    33   0.09850  1.0 1.0
   45    48   -53    33   0.15250 -1.0 2.0
   45    48   -53    33  -0.50650  1.0 3.0
   45    48    53    56  -0.28300  1.0 1.0
   45    48    53    56   0.26700 -1.0 2.0
   45    48    53    56  -0.63300  1.0 3.0
   45    48    53    57   0.39000  1.0 1.0
   45    48    53    57  -0.05800 -1.0 2.0
   45    48    53    57  -0.55150  1.0 3.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    58  -0.28300  1.0 1.0
   45    50    54    58   0.26700 -1.0 2.0
   45    50    54    58  -0.63300  1.0 3.0
   48    45    50    51   0.00000  1.0 1.0
   48    45    50    52   0.00000  1.0 1.0
   48    45    50    54  -0.28300  1.0 1.0
   48    45    50    54   0.26700 -1.0 2.0
   48    45    50    54  -0.63300  1.0 3.0
   48    53    56    61  -0.28300  1.0 1.0
   48    53    56    61   0.26700 -1.0 2.0
   48    53    56    61  -0.63300  1.0 3.0
   48    53    56    63   0.09700  1.0 1.0
   48    53    56    63   0.15600 -1.0 2.0
   48    53    56    63  -0.50800  1.0 3.0
   48    53    57    67  -0.77900  1.0 1.0
   48    53    57    67  -0.36900 -1.0 2.0
   48    53    57    67   0.40400  1.0 3.0
   49    48    53    33   0.00000  1.0 1.0
   49    48    53    56   0.00000  1.0 1.0
   49    48    53    57   0.00000  1.0 1.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    40   0.09850  1.0 1.0
   53    33   -37    40   0.15250 -1.0 2.0
   53    33   -37    40  -0.50650  1.0 3.0
   53    33    39    41   0.06250  1.0 1.0
   53    33    39    41  -0.01100 -1.0 2.0
   53    33    39    41   0.28050  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    71   7.00000 -1.0 2.0
   53    56    63    64   0.34800  1.0 3.0
   53    56    63    65   0.34800  1.0 3.0
   53    56    63    66   0.34800  1.0 3.0
   53    57    67    68   0.37050  1.0 3.0
   53    57    67    69   0.37050  1.0 3.0
   53    57    67    70   0.37050  1.0 3.0
   56    53    57    67  -0.77900  1.0 1.0
   56    53    57    67  -0.36900 -1.0 2.0
   56    53    57    67   0.40400  1.0 3.0
   56    61    71    72   0.15800  1.0 1.0
   56    61    71    72   1.85350 -1.0 2.0
   56    61    71    72  -0.48700  1.0 3.0
   56    61    71    78   0.15800  1.0 1.0
   56    61    71    78   1.85350 -1.0 2.0
   56    61    71    78  -0.48700  1.0 3.0
   61    56    63    64   0.00000  1.0 1.0
   61    56    63    65   0.00000  1.0 1.0
   61    56    63    66   0.00000  1.0 1.0
   61    71    72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   61    71    78    77   3.62500 -1.0 2.0
   61    71    78    79   3.62500 -1.0 2.0
   62    61    71    72   0.56550  1.0 3.0
   62    61    71    78   0.56550  1.0 3.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    78    77   3.62500 -1.0 2.0
   72    71    78    79   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    84   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    84    81   1.63200 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    84   3.62500 -1.0 2.0
   76    77   -78    71   3.62500 -1.0 2.0
   76    77    78    79   3.62500 -1.0 2.0
   76    77   -80    81   1.63200 -1.0 2.0
   77    76   -84    81   1.63200 -1.0 2.0
   77    80    81    82   0.08050  1.0 3.0
   77    80    81    83   0.08050  1.0 3.0
   77    80   -81    84  -0.25600  1.0 1.0
   77    80   -81    84  -0.40050 -1.0 2.0
   77    80   -81    84   0.34700  1.0 3.0
   78    71    72    73   3.62500 -1.0 2.0
   78    71   -72    74   3.62500 -1.0 2.0
   78    77    80    81   1.63200 -1.0 2.0
   80    77    78    71   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    81   -84    76  -0.25600  1.0 1.0
   80    81   -84    76  -0.40050 -1.0 2.0
   80    81   -84    76   0.34700  1.0 3.0
   82    81    84    76   0.08050  1.0 3.0
   83    81    84    76   0.08050  1.0 3.0
   84    76    77    78   3.62500 -1.0 2.0
   84    76   -77    80   3.62500 -1.0 2.0
   63    56    61    62   7.00000 -1.0 2.0
   63    56    61    71   7.00000 -1.0 2.0
   57    53    56    61   0.39000  1.0 1.0
   57    53    56    61  -0.05800 -1.0 2.0
   57    53    56    61  -0.55150  1.0 3.0
   57    53    56    63   0.09700  1.0 1.0
   57    53    56    63   0.15600 -1.0 2.0
   57    53    56    63  -0.50800  1.0 3.0
   50    45    48    49   7.00000 -1.0 2.0
   50    45    48    53   7.00000 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    60   7.00000 -1.0 2.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    58   0.00000  1.0 1.0
   52    50    54    55   0.33100  1.0 3.0
   52    50    54    58   0.00000  1.0 1.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   46    40    45    48   0.50950  1.0 1.0
   46    40    45    48   0.56650 -1.0 2.0
   46    40    45    48   0.34050  1.0 3.0
   46    40    45    50   1.08500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    53    48   0.61850  1.0 1.0
   39    33    53    48  -0.22750 -1.0 2.0
   39    33    53    48   0.15300  1.0 3.0
   39    33    53    56   0.61850  1.0 1.0
   39    33    53    56  -0.22750 -1.0 2.0
   39    33    53    56   0.15300  1.0 3.0
   39    33    53    57   1.11900  1.0 1.0
   39    33    53    57  -1.16350 -1.0 2.0
   39    33    53    57  -0.34150  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    38    37    40   1.10000 -1.0 2.0
   45    46    40    37   1.10000 -1.0 2.0
   40    50    45    48   1.10000 -1.0 2.0
   53    49    48    45   1.10000 -1.0 2.0
   53    63    56    61  15.00000 -1.0 2.0
   71    62    61    56  15.00000 -1.0 2.0
   72    78    71    61   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    84    76    74   4.00000 -1.0 2.0
   78    80    77    76   4.00000 -1.0 2.0
   77    79    78    71   1.10000 -1.0 2.0
   50    55    54    58  15.00000 -1.0 2.0
   59    60    58    54  15.00000 -1.0 2.0
END
