* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    150    222     427
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02013    54.77844    89.22631
    3     1 S   H    _H1_     3     1.02164    57.38476  -114.09804
    4     1 S   H    _H2_     4     1.02102   106.62156   -12.24572
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C15    36     1.84426    97.21892   161.84302
   34    33 S   HC   _H3_    37     1.14209   105.32208   -43.47474
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C16    38     1.53528   112.88753  -159.99808
   39    38 S   CM   _C17    39     1.35310   118.98884  -152.11288
   40    38 S   CT   _C21    77     1.50952   118.29999    33.33728
   41    40 S   HC   _H18    78     1.09080   108.19415    24.36251
   42    40 S   HC   _H19    79     1.09153   108.03380   140.64839
   43    39 S   CM   _C18    40     1.44521   121.75984    -3.30997
   44    43 S   HC   _H13    41     1.08717   117.85183  -160.11700
   45    39 S   OH   _O36    75     1.37657   125.41726  -179.73166
   46    45 S   HO   _H17    76     0.96398   110.12987   176.68465
   47    40 S   CM   _C22    80     1.49253   111.62719   -96.30997
   48    47 S   HC   _H20    81     1.08755   117.74810   -58.71669
   49    43 S   CM   _C19    42     1.33908   121.73872    15.97522
   50    47 S   CM   _C23    82     1.33785   123.79867   119.83134
   51    50 S   HC   _H21    83     1.08421   121.56448   179.98022
   52    50 S   HC   _H22    84     1.08398   120.41848    -0.05595
   53    33 S   CT   _C14    43     1.57235   111.57869    69.54292
   54    49 S   OS   _O35    70     1.38166   120.49597   179.97202
   55    53 S   CM   _C5_    44     1.50769   114.46623    42.66057
   56    53 S   OS   _O37    65     1.43524   107.37978   -76.14735
   57    54 S   CT   _C20    71     1.40524   112.49743   -60.01716
   58    57 S   HC   _H14    72     1.09288   109.48873  -179.96044
   59    57 S   HC   _H15    73     1.09310   109.53924    59.24513
   60    57 S   HC   _H16    74     1.09279   108.99352   -60.37488
   61    55 S   CM   _C6_    45     1.34636   120.22958  -115.77909
   62    61 S   HC   _H7_    46     1.08722   119.81996     1.34973
   63    55 S   CT   _C4_    61     1.50459   114.40390    63.61550
   64    63 S   HC   _H4_    62     1.09508   110.04617   -89.30806
   65    63 S   HC   _H5_    63     1.09480   110.03036   151.38259
   66    63 S   HC   _H6_    64     1.09274   113.41861    31.71171
   67    56 S   CT   _C24    66     1.41440   110.82700   -79.80468
   68    67 S   HC   _H23    67     1.09288   109.47735  -180.00000
   69    67 S   HC   _H24    68     1.09283   109.50844    59.22954
   70    67 S   HC   _H25    69     1.09225   109.00794   -60.40069
   71    61 S   CA   _C7_    47     1.46704   125.98654  -179.20107
   72    71 S   CA   _C8_    48     1.40670   119.61388   120.46800
   73    72 S   HA   _H8_    49     1.08746   120.49351     0.04846
   74    72 S   CA   _C9_    50     1.39729   120.54645   179.97202
   75    74 S   HA   _H9_    51     1.08432   120.79706  -179.96044
   76    74 S   CA   _C10    52     1.37920   117.68415     0.08393
   77    76 S   CA   _C11    53     1.37601   121.76241    -0.06853
   78    71 S   CA   _C12    54     1.39683   119.78166   -59.46405
   79    78 S   HA   _H10    55     1.08508   121.58715    -0.06256
   80    77 S   OS   _O33    56     1.36048   112.37086  -179.93744
   81    80 S   CO   _C13    57     1.44253   100.97646    -0.00000
   82    81 S   HC   _H11    58     1.09572   108.72763  -120.87133
   83    81 S   HC   _H12    59     1.09606   108.66982   120.91458
   84    76 S   OS   _O34    60     1.36083   125.93283  -179.94766
  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
  17   7   2   1   1  15  11  10   4   3   9   4   2   1   4   3
  11   2   1   1  15   6  11   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    53    55    56    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    49    53    55    61    63    56    67    54    45    40    41    42    47  
   38    39    49    53    55    56    40  
   36    37  
   37  
    0  
   39    43    44    49    53    55    56    45    46    40    41    42    47    48    50  
   43    44    49    53    54    45    46    40    41    42    47  
   41    42    47    48    50    51    52    43    45    53  
   42    47    48    50  
   47    48    50  
   44    49    53    55    56    54    57    45    46  
   49    53    54    45  
   46    49  
    0  
   48    50    51    52  
   50    51    52  
   53    55    61    63    56    67    54    57    58    59    60  
   51    52  
   52  
    0  
   55    61    62    71    63    64    65    66    56    67    68    69    70    54    57  
   57    58    59    60    55    56  
   61    62    71    72    78    63    64    65    66    56    67  
   67    68    69    70    61    63  
   58    59    60  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   380.000  1.444
   39    45   510.000  1.338
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    53   317.000  1.510
   49    54   440.000  1.360
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    61   549.000  1.340
   55    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
   56    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    53    49    70.00000  112.02700
   33    53    55    70.00000  112.02700
   33    53    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    43    70.00000  123.01800
   38    39    45    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    47    70.00000  110.12100
   39    43    44    35.00000  120.00000
   39    43    49    70.00000  123.01800
   39    45    46    70.00000  107.45700
   43    49    53    70.00000  124.00000
   43    49    54    80.00000  120.01400
   49    43    44    35.00000  120.00000
   49    53    55    70.00000  110.12100
   49    53    56    85.00000  110.90400
   49    54    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    55    61    70.00000  124.00000
   53    55    63    65.00000  117.92700
   53    56    67    60.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    71    60.00000  123.20500
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    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    55    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
   56    53    55    85.00000  110.90400
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    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
   54    49    53    85.00000  112.85300
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    39    43    80.00000  121.38400
   40    38    39    70.00000  124.00000
   40    47    48    35.00000  117.00000
   40    47    50    70.00000  124.00000
   42    40    41    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    42    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   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
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    47   0.09700  1.0 1.0
   33    38    40    47   0.15600 -1.0 2.0
   33    38    40    47  -0.50800  1.0 3.0
   33    53    55    61   0.09850  1.0 1.0
   33    53    55    61   0.15250 -1.0 2.0
   33    53    55    61  -0.50650  1.0 3.0
   33    53    55    63   0.46850  1.0 1.0
   33    53    55    63   0.08550 -1.0 2.0
   33    53    55    63   0.09800  1.0 3.0
   33    53    56    67   0.06250  1.0 1.0
   33    53    56    67  -0.01100 -1.0 2.0
   33    53    56    67   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.31000  1.0 1.0
   38    33    53    49   0.14700 -1.0 2.0
   38    33    53    49   0.07550  1.0 3.0
   38    33    53    55   0.31000  1.0 1.0
   38    33    53    55   0.14700 -1.0 2.0
   38    33    53    55   0.07550  1.0 3.0
   38    33    53    56   0.61850  1.0 1.0
   38    33    53    56  -0.22750 -1.0 2.0
   38    33    53    56   0.15300  1.0 3.0
   38    39    43    44  -0.18600  1.0 3.0
   38    39   -43    49   0.28850  1.0 1.0
   38    39   -43    49   2.61350 -1.0 2.0
   38    39   -43    49   0.78400  1.0 3.0
   38    39    45    46  -0.66100  1.0 1.0
   38    39    45    46   1.20850 -1.0 2.0
   38    39    45    46  -0.36000  1.0 3.0
   38    40    47    48   0.00000  1.0 1.0
   38    40    47    50  -0.28300  1.0 1.0
   38    40    47    50   0.26700 -1.0 2.0
   38    40    47    50  -0.63300  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    47  -0.28300  1.0 1.0
   39    38    40    47   0.26700 -1.0 2.0
   39    38    40    47  -0.63300  1.0 3.0
   39    43    49    53   7.00000 -1.0 2.0
   39    43    49    54   7.00000 -1.0 2.0
   43    39    45    46  -0.66100  1.0 1.0
   43    39    45    46   1.20850 -1.0 2.0
   43    39    45    46  -0.36000  1.0 3.0
   43    49   -53    33   0.09850  1.0 1.0
   43    49   -53    33   0.15250 -1.0 2.0
   43    49   -53    33  -0.50650  1.0 3.0
   43    49    53    55  -0.28300  1.0 1.0
   43    49    53    55   0.26700 -1.0 2.0
   43    49    53    55  -0.63300  1.0 3.0
   43    49    53    56   0.39000  1.0 1.0
   43    49    53    56  -0.05800 -1.0 2.0
   43    49    53    56  -0.55150  1.0 3.0
   43    49    54    57  -2.26850  1.0 1.0
   43    49    54    57   3.39050 -1.0 2.0
   44    43    49    53   7.00000 -1.0 2.0
   44    43    49    54   7.00000 -1.0 2.0
   49    53    55    61  -0.28300  1.0 1.0
   49    53    55    61   0.26700 -1.0 2.0
   49    53    55    61  -0.63300  1.0 3.0
   49    53    55    63   0.09700  1.0 1.0
   49    53    55    63   0.15600 -1.0 2.0
   49    53    55    63  -0.50800  1.0 3.0
   49    53    56    67  -0.77900  1.0 1.0
   49    53    56    67  -0.36900 -1.0 2.0
   49    53    56    67   0.40400  1.0 3.0
   49    54    57    58   0.08050  1.0 3.0
   49    54    57    59   0.08050  1.0 3.0
   49    54    57    60   0.08050  1.0 3.0
   53    33   -38    39   0.09850  1.0 1.0
   53    33   -38    39   0.15250 -1.0 2.0
   53    33   -38    39  -0.50650  1.0 3.0
   53    33    38    40   0.46850  1.0 1.0
   53    33    38    40   0.08550 -1.0 2.0
   53    33    38    40   0.09800  1.0 3.0
   53    49    54    57   2.00000 -1.0 2.0
   53    55    61    62   7.00000 -1.0 2.0
   53    55    61    71   7.00000 -1.0 2.0
   53    55    63    64   0.34800  1.0 3.0
   53    55    63    65   0.34800  1.0 3.0
   53    55    63    66   0.34800  1.0 3.0
   53    56    67    68   0.37050  1.0 3.0
   53    56    67    69   0.37050  1.0 3.0
   53    56    67    70   0.37050  1.0 3.0
   55    53    56    67  -0.77900  1.0 1.0
   55    53    56    67  -0.36900 -1.0 2.0
   55    53    56    67   0.40400  1.0 3.0
   55    61    71    72   0.15800  1.0 1.0
   55    61    71    72   1.85350 -1.0 2.0
   55    61    71    72  -0.48700  1.0 3.0
   55    61    71    78   0.15800  1.0 1.0
   55    61    71    78   1.85350 -1.0 2.0
   55    61    71    78  -0.48700  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    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    55    61    62   7.00000 -1.0 2.0
   63    55    61    71   7.00000 -1.0 2.0
   56    53    55    61   0.39000  1.0 1.0
   56    53    55    61  -0.05800 -1.0 2.0
   56    53    55    61  -0.55150  1.0 3.0
   56    53    55    63   0.09700  1.0 1.0
   56    53    55    63   0.15600 -1.0 2.0
   56    53    55    63  -0.50800  1.0 3.0
   54    49    53    33   0.09700  1.0 1.0
   54    49    53    33   0.15600 -1.0 2.0
   54    49    53    33  -0.50800  1.0 3.0
   54    49    53    55   0.09700  1.0 1.0
   54    49    53    55   0.15600 -1.0 2.0
   54    49    53    55  -0.50800  1.0 3.0
   54    49    53    56   0.09700  1.0 1.0
   54    49    53    56   0.15600 -1.0 2.0
   54    49    53    56  -0.50800  1.0 3.0
   45    39    43    44   0.00000  1.0 1.0
   45    39    43    49   0.50950  1.0 1.0
   45    39    43    49   0.56650 -1.0 2.0
   45    39    43    49   0.34050  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    45   7.00000 -1.0 2.0
   40    47    50    51   7.00000 -1.0 2.0
   40    47    50    52   7.00000 -1.0 2.0
   41    40    47    48   0.33100  1.0 3.0
   41    40    47    50   0.00000  1.0 1.0
   42    40    47    48   0.33100  1.0 3.0
   42    40    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    45    39    38   1.10000 -1.0 2.0
   39    44    43    49   1.10000 -1.0 2.0
   53    54    49    43   1.10000 -1.0 2.0
   53    63    55    61  15.00000 -1.0 2.0
   71    62    61    55  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
   40    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
