* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    156    237     462
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02065   106.50072   -19.11611
    3     1 S   H    _H1_     3     1.02049    58.95583    83.10368
    4     1 S   H    _H2_     4     1.02149    53.20894  -120.43862
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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   167.74439
   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    57.98761
   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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.87090    96.04732  -158.09847
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C17    37     1.59796   111.95708   177.85899
   38    33 S   CM   _C9_    62     1.52784   104.36400    59.92346
   39    38 S   HC   _H30    63     1.08488   115.55688  -150.16344
   40    37 S   CT   _C14    38     1.55696   109.66946   172.92648
   41    40 S   HC   _H33    39     1.09766   110.19374  -174.82494
   42    40 S   HC   _H34    40     1.09852   109.74835    69.67069
   43    37 S   CT   _C21    54     1.54983   114.58417    50.89978
   44    43 S   HC   _H43    55     1.07987   108.43332   -57.17770
   45    43 S   HC   _H44    56     1.08006   108.40391  -177.18269
   46    43 S   HC   _H45    57     1.07930   108.43869    62.83012
   47    37 S   CT   _C22    58     1.55804   112.46729   -68.66278
   48    47 S   HC   _H46    59     1.07950   108.43190    59.85792
   49    47 S   HC   _H47    60     1.07981   108.46885   -60.21260
   50    47 S   HC   _H48    61     1.08044   108.40411   179.76344
   51    38 S   CM   _C7_    64     1.34300   123.44033    29.81020
   52    51 S   HC   _H28    65     1.08992   117.33629     0.09065
   53    40 S   CT   _C13    41     1.52476   114.02998   -52.25706
   54    53 S   HC   _H31    42     1.09436   110.20761   179.37411
   55    53 S   HC   _H32    43     1.09505   109.04180   -64.44017
   56    51 S   CM   _C11    66     1.46627   126.91228  -179.97202
   57    53 S   CT   _C15    44     1.52138   111.80640    56.45934
   58    57 S   HC   _H35    45     1.09998   107.54632    65.36801
   59    57 S   HC   _H36    46     1.09846   109.40183  -179.94065
   60    56 S   CM   _C6_    67     1.35112   118.23625  -179.97202
   61    60 S   HC   _H27    68     1.09118   118.20373     0.10468
   62    56 S   CT   _C20    84     1.50796   117.17556     0.03426
   63    62 S   HC   _H40    85     1.09188   113.90449   -89.99757
   64    62 S   HC   _H41    86     1.09583   110.53797   150.11157
   65    62 S   HC   _H42    87     1.09618   110.44852    29.83465
   66    33 S   CT   _C18    47     1.58935   109.28652   -55.53772
   67    60 S   CM   _C4_    69     1.45099   127.77832  -179.94405
   68    67 S   HC   _H25    70     1.08350   117.56909     0.29409
   69    66 S   CT   _C23    48     1.54257   117.02882   -48.82659
   70    69 S   HC   _H49    49     1.08374   109.00347    52.86962
   71    69 S   HC   _H50    50     1.08355   109.04467   -67.14340
   72    69 S   HC   _H51    51     1.08340   109.01880   172.85227
   73    66 S   OH   _O23    52     1.44635   108.02030    68.37101
   74    73 S   HO   _H53    53     0.96674   105.80851   179.66721
   75    67 S   CM   _C5_    71     1.34485   122.54806  -179.98022
   76    75 S   HC   _H26    72     1.08954   117.83982    -0.41731
   77    75 S   CM   _C10    73     1.46745   126.82282  -179.78511
   78    77 S   CM   _C8_    74     1.34837   117.86334   179.94766
   79    78 S   HC   _H29    75     1.08924   119.74275    -1.09307
   80    77 S   CT   _C19    80     1.50719   117.27146    -1.08697
   81    80 S   HC   _H37    81     1.09542   110.71765    89.96584
   82    80 S   HC   _H38    82     1.09586   110.45968  -149.50256
   83    80 S   HC   _H39    83     1.09101   113.65899   -28.37405
   84    78 S   C    _C12    76     1.47935   125.86481   180.00000
   85    84 S   O    _O21    77     1.21765   127.15623    30.06136
   86    84 S   OH   _O22    78     1.35555   108.33176  -151.05456
   87    86 S   HO   _H52    79     0.98057   111.96526  -178.87639
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  28   2   1   1  21  13   4  17   7   6   9   3   2   1   5   2
   1   1  10   3   8   5   4   9   9   4   3  10   4   4   2   1
   1   6   6   3   5   3   2   1   1   1   9   3   9   9   4   4
   2   1   1   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    66    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    66    69    73    43    47    38    39    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    53    57    58    59    66    69    70    71    72    73    74    43    44    45    46    47    48    49    50    38    39    51    52    56  
   35    36  
   36  
    0  
   40    41    42    53    54    55    57    66    69    73    43    44    45    46    47    48    49    50    38    39    51  
   39    51    52    56    60    62    40    43    47    57    66    69    73  
   51    52    56    66  
   41    42    53    54    55    57    58    59    66    43    44    45    46    47    48    49    50  
   42    53    54    55    57    43    47  
   53    54    55    57    43    47  
   44    45    46    47    48    49    50    53    66  
   45    46    47  
   46    47  
   47  
   48    49    50    53    66  
   49    50  
   50  
    0  
   52    56    60    61    67    62    63    64    65    66  
   56    60    62  
   54    55    57    58    59    66    69    73  
   55    57    58    59    66  
   57    58    59    66  
   60    61    67    68    75    62    63    64    65  
   58    59    66    69    70    71    72    73    74  
   59    66    69    73  
   66    69    73  
   61    67    68    75    76    77    62    63    64    65  
   67    68    75    62  
   63    64    65    67  
   64    65  
   65  
    0  
   69    70    71    72    73    74  
   68    75    76    77    78    80  
   75    76    77  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    0  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    66   268.000  1.529
   33    38   317.000  1.510
   37    40   268.000  1.529
   37    43   268.000  1.529
   37    47   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    69   268.000  1.529
   66    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   340.000  1.080
   38    51   549.000  1.340
   51    52   340.000  1.080
   51    56   380.000  1.444
   56    60   549.000  1.340
   56    62   317.000  1.510
   60    61   340.000  1.080
   60    67   380.000  1.444
   67    68   340.000  1.080
   67    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   410.000  1.444
   84    85   570.000  1.229
   84    86   450.000  1.364
   86    87   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  111.63000
   29    33    66    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    37    47    58.35000  112.70000
   33    66    57    58.35000  112.70000
   33    66    69    58.35000  112.70000
   33    66    73    50.00000  109.50000
   33    38    39    35.00000  117.00000
   33    38    51    70.00000  124.00000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    53    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    37.50000  110.70000
   40    53    54    37.50000  110.70000
   40    53    55    37.50000  110.70000
   40    53    57    58.35000  112.70000
   42    40    41    33.00000  107.80000
   53    40    41    37.50000  110.70000
   53    40    42    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    66    69    58.35000  112.70000
   57    66    73    50.00000  109.50000
   59    57    58    33.00000  107.80000
   66    33    37    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    69    50.00000  109.50000
   43    37    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    37    40    58.35000  112.70000
   47    37    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    66    70.00000  112.02700
   38    51    52    35.00000  120.00000
   38    51    56    70.00000  123.01800
   51    38    39    35.00000  120.00000
   51    56    60    70.00000  123.01800
   51    56    62    70.00000  124.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    67    70.00000  123.01800
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    75    70.00000  123.01800
   67    60    61    35.00000  120.00000
   67    75    76    35.00000  120.00000
   67    75    77    70.00000  123.01800
   75    67    68    35.00000  120.00000
   75    77    78    70.00000  123.01800
   75    77    80    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  118.70000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    80.00000  125.30000
   78    84    86    90.00000  111.55000
   84    78    79    35.00000  119.70000
   84    86    87    35.00000  113.00000
   86    84    85   100.00000  123.32000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   62    56    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.01700  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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    66    57   0.44750  1.0 1.0
   29    33    66    57  -0.17800 -1.0 2.0
   29    33    66    57   0.20200  1.0 3.0
   29    33    66    69   0.44750  1.0 1.0
   29    33    66    69  -0.17800 -1.0 2.0
   29    33    66    69   0.20200  1.0 3.0
   29    33    66    73   0.56750  1.0 1.0
   29    33    66    73  -0.07550 -1.0 2.0
   29    33    66    73   0.20000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    51   0.42700  1.0 1.0
   29    33    38    51  -0.70350 -1.0 2.0
   29    33    38    51  -0.43150  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    53   0.56750  1.0 1.0
   33    37    40    53  -0.07550 -1.0 2.0
   33    37    40    53   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.15000  1.0 3.0
   33    66    69    70   0.15000  1.0 3.0
   33    66    69    71   0.15000  1.0 3.0
   33    66    69    72   0.15000  1.0 3.0
   33    66    73    74  -0.11600  1.0 1.0
   33    66    73    74  -0.09450 -1.0 2.0
   33    66    73    74   0.21250  1.0 3.0
   33    38    51    52   7.00000 -1.0 2.0
   33    38    51    56   7.00000 -1.0 2.0
   37    33    66    57   0.56750  1.0 1.0
   37    33    66    57  -0.07550 -1.0 2.0
   37    33    66    57   0.20000  1.0 3.0
   37    33    66    69   0.56750  1.0 1.0
   37    33    66    69  -0.07550 -1.0 2.0
   37    33    66    69   0.20000  1.0 3.0
   37    33    66    73   0.86500  1.0 1.0
   37    33    66    73  -0.17500 -1.0 2.0
   37    33    66    73   0.20800  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    51   0.09850  1.0 1.0
   37    33    38    51   0.15250 -1.0 2.0
   37    33    38    51  -0.50650  1.0 3.0
   37    40    53    54   0.15000  1.0 3.0
   37    40    53    55   0.15000  1.0 3.0
   37    40   -53    57   0.56750  1.0 1.0
   37    40   -53    57  -0.07550 -1.0 2.0
   37    40   -53    57   0.20000  1.0 3.0
   40    37    43    44   0.15000  1.0 3.0
   40    37    43    45   0.15000  1.0 3.0
   40    37    43    46   0.15000  1.0 3.0
   40    37    47    48   0.15000  1.0 3.0
   40    37    47    49   0.15000  1.0 3.0
   40    37    47    50   0.15000  1.0 3.0
   40    53    57    58   0.15000  1.0 3.0
   40    53    57    59   0.15000  1.0 3.0
   40    53    57    66   0.56750  1.0 1.0
   40    53    57    66  -0.07550 -1.0 2.0
   40    53    57    66   0.20000  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    55   0.15000  1.0 3.0
   41    40    53    57   0.15000  1.0 3.0
   42    40    53    54   0.15000  1.0 3.0
   42    40    53    55   0.15000  1.0 3.0
   42    40    53    57   0.15000  1.0 3.0
   53    57   -66    33   0.56750  1.0 1.0
   53    57   -66    33  -0.07550 -1.0 2.0
   53    57   -66    33   0.20000  1.0 3.0
   53    57    66    69   0.56750  1.0 1.0
   53    57    66    69  -0.07550 -1.0 2.0
   53    57    66    69   0.20000  1.0 3.0
   53    57    66    73   0.86500  1.0 1.0
   53    57    66    73  -0.17500 -1.0 2.0
   53    57    66    73   0.20800  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    66   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    59   0.15000  1.0 3.0
   55    53    57    66   0.15000  1.0 3.0
   57    66    69    70   0.15000  1.0 3.0
   57    66    69    71   0.15000  1.0 3.0
   57    66    69    72   0.15000  1.0 3.0
   57    66    73    74  -0.11600  1.0 1.0
   57    66    73    74  -0.09450 -1.0 2.0
   57    66    73    74   0.21250  1.0 3.0
   58    57    66    33   0.15000  1.0 3.0
   58    57    66    69   0.15000  1.0 3.0
   58    57    66    73   0.23400  1.0 3.0
   59    57    66    33   0.15000  1.0 3.0
   59    57    66    69   0.15000  1.0 3.0
   59    57    66    73   0.23400  1.0 3.0
   66    33   -37    40   0.56750  1.0 1.0
   66    33   -37    40  -0.07550 -1.0 2.0
   66    33   -37    40   0.20000  1.0 3.0
   66    33    37    43   0.56750  1.0 1.0
   66    33    37    43  -0.07550 -1.0 2.0
   66    33    37    43   0.20000  1.0 3.0
   66    33    37    47   0.56750  1.0 1.0
   66    33    37    47  -0.07550 -1.0 2.0
   66    33    37    47   0.20000  1.0 3.0
   66    33    38    39   0.00000  1.0 1.0
   66    33    38    51   0.09850  1.0 1.0
   66    33    38    51   0.15250 -1.0 2.0
   66    33    38    51  -0.50650  1.0 3.0
   69    66    73    74  -0.11600  1.0 1.0
   69    66    73    74  -0.09450 -1.0 2.0
   69    66    73    74   0.21250  1.0 3.0
   73    66    69    70   0.23400  1.0 3.0
   73    66    69    71   0.23400  1.0 3.0
   73    66    69    72   0.23400  1.0 3.0
   43    37    40    41   0.15000  1.0 3.0
   43    37    40    42   0.15000  1.0 3.0
   43    37    40    53   0.56750  1.0 1.0
   43    37    40    53  -0.07550 -1.0 2.0
   43    37    40    53   0.20000  1.0 3.0
   43    37    47    48   0.15000  1.0 3.0
   43    37    47    49   0.15000  1.0 3.0
   43    37    47    50   0.15000  1.0 3.0
   47    37    40    41   0.15000  1.0 3.0
   47    37    40    42   0.15000  1.0 3.0
   47    37    40    53   0.56750  1.0 1.0
   47    37    40    53  -0.07550 -1.0 2.0
   47    37    40    53   0.20000  1.0 3.0
   47    37    43    44   0.15000  1.0 3.0
   47    37    43    45   0.15000  1.0 3.0
   47    37    43    46   0.15000  1.0 3.0
   38    33    37    40   0.34400  1.0 1.0
   38    33    37    40   0.09450 -1.0 2.0
   38    33    37    40   0.11100  1.0 3.0
   38    33    37    43   0.34400  1.0 1.0
   38    33    37    43   0.09450 -1.0 2.0
   38    33    37    43   0.11100  1.0 3.0
   38    33    37    47   0.34400  1.0 1.0
   38    33    37    47   0.09450 -1.0 2.0
   38    33    37    47   0.11100  1.0 3.0
   38    33    66    57   0.34400  1.0 1.0
   38    33    66    57   0.09450 -1.0 2.0
   38    33    66    57   0.11100  1.0 3.0
   38    33    66    69   0.34400  1.0 1.0
   38    33    66    69   0.09450 -1.0 2.0
   38    33    66    69   0.11100  1.0 3.0
   38    33    66    73   1.05650  1.0 1.0
   38    33    66    73   0.15600 -1.0 2.0
   38    33    66    73   0.53150  1.0 3.0
   38    51    56    60   0.28850  1.0 1.0
   38    51    56    60   2.61350 -1.0 2.0
   38    51    56    60   0.78400  1.0 3.0
   38    51    56    62  -0.18600  1.0 3.0
   39    38    51    52   7.00000 -1.0 2.0
   39    38    51    56   7.00000 -1.0 2.0
   51    56    60    61   7.00000 -1.0 2.0
   51    56    60    67   7.00000 -1.0 2.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   51    56    62    65   0.00000  1.0 1.0
   52    51    56    60  -0.18600  1.0 3.0
   52    51    56    62   0.00000  1.0 1.0
   56    60    67    68  -0.18600  1.0 3.0
   56    60    67    75   0.28850  1.0 1.0
   56    60    67    75   2.61350 -1.0 2.0
   56    60    67    75   0.78400  1.0 3.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    64   0.00000  1.0 1.0
   60    56    62    65   0.00000  1.0 1.0
   60    67    75    76   7.00000 -1.0 2.0
   60    67    75    77   7.00000 -1.0 2.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    67    75  -0.18600  1.0 3.0
   67    75    77    78   0.28850  1.0 1.0
   67    75    77    78   2.61350 -1.0 2.0
   67    75    77    78   0.78400  1.0 3.0
   67    75    77    80  -0.18600  1.0 3.0
   68    67    75    76   7.00000 -1.0 2.0
   68    67    75    77   7.00000 -1.0 2.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.00000  1.0 1.0
   75    77    80    82   0.00000  1.0 1.0
   75    77    80    83   0.00000  1.0 1.0
   76    75    77    78  -0.18600  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   77    78    84    85   1.00000 -1.0 2.0
   77    78    84    86  -0.01000  1.0 1.0
   77    78    84    86   1.29850 -1.0 2.0
   77    78    84    86  -0.09550  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   78    84    86    87   1.22000  1.0 1.0
   78    84    86    87   0.17300 -1.0 2.0
   79    78    84    85   0.00000  1.0 1.0
   79    78    84    86   0.81850 -1.0 2.0
   85    84    86    87   0.92200  1.0 1.0
   85    84    86    87   3.74100 -1.0 2.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   62    56    60    61   7.00000 -1.0 2.0
   62    56    60    67   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    39    38    51  15.00000 -1.0 2.0
   56    52    51    38  15.00000 -1.0 2.0
   51    62    56    60  15.00000 -1.0 2.0
   67    61    60    56  15.00000 -1.0 2.0
   60    68    67    75  15.00000 -1.0 2.0
   77    76    75    67  15.00000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
   78    86    84    85  10.50000 -1.0 2.0
END
