* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    149    249     450
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02020    76.47385    59.82453
    3     1 S   H    _H1_     3     1.02070    38.33919  -153.52633
    4     1 S   H    _H2_     4     1.02145   100.82592   -47.06678
    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   167.74441
   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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   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   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.85506    97.50901  -158.12006
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C15    37     1.51242   107.37448   180.00000
   38    33 S   CT   _C20    69     1.56390   109.87314   -57.63070
   39    38 S   HC   _H37    70     1.11002   108.56201    15.15257
   40    33 S   OH   _O29    81     1.43033   107.20124    61.29060
   41    40 S   HO   _H48    82     0.96775   106.09220   176.67504
   42    37 S   CO4  _C16    38     1.49774   116.96279    72.03365
   43    42 S   O    _O25    39     1.22972   121.32657  -149.68202
   44    38 S   NTH2 _N22    71     1.47472   112.03823   131.60233
   45    44 S   H    _H43    72     0.99180   117.57164   -34.82601
   46    44 S   H    _H44    73     0.99235   117.53591   158.51740
   47    37 S   CMA  _C17    76     1.34155   126.44369  -110.06052
   48    47 S   OM   _O23    77     1.26193   130.12945     2.10552
   49    42 S   CT   _C21    40     1.52367   116.67545    29.75595
   50    47 S   NE   _N21    78     1.37351   120.09323  -177.95742
   51    50 S   H    _H41    79     1.01215   119.35746     0.06256
   52    50 S   H    _H42    80     1.01203   120.30068   179.96574
   53    49 S   CO4  _C14    41     1.52053   114.40510  -104.87069
   54    53 S   O    _O24    42     1.22815   121.92384   -24.04729
   55    49 S   OH   _O28    74     1.42914   105.47157   140.88887
   56    55 S   HO   _H47    75     0.96984   106.52475    60.98007
   57    53 S   CA   _C9_    43     1.48678   118.14434   158.48873
   58    57 S   CA   _C10    44     1.40005   120.44803    -3.60609
   59    57 S   CA   _C13    55     1.40094   119.25359   176.62409
   60    58 S   CA   _C11    45     1.40351   118.95814   178.88583
   61    59 S   OH   _O27    56     1.36834   119.53712     0.38308
   62    61 S   HO   _H46    57     0.96751   109.93950     0.02798
   63    58 S   CT   _C18    64     1.50658   121.91447     0.79377
   64    63 S   HC   _H34    65     1.09791   107.71485    95.62914
   65    63 S   HC   _H35    66     1.09336   111.44885  -148.11293
   66    60 S   CA   _C7_    46     1.40437   121.35528     1.24710
   67    60 S   CT   _C23    60     1.50376   119.07771  -178.07583
   68    67 S   HC   _H38    61     1.09235   109.77183   -90.67216
   69    67 S   HC   _H39    62     1.09309   110.71996    29.85344
   70    67 S   HC   _H40    63     1.09326   110.67634   148.86228
   71    49 S   CT   _C19    67     1.53382   110.68831    23.39431
   72    71 S   HC   _H36    68     1.10895   108.51327    61.76526
   73    66 S   CA   _C5_    47     1.40468   121.41585   179.51949
   74    73 S   HA   _H32    48     1.08760   121.69049     0.04423
   75    73 S   CA   _C4_    49     1.39470   120.73194  -179.89165
   76    75 S   HA   _H31    50     1.08656   119.96843   180.00000
   77    75 S   CA   _C6_    51     1.39132   120.01493    -0.04846
   78    77 S   HA   _H33    52     1.08687   119.54301  -179.98022
   79    77 S   CA   _C12    53     1.39521   119.96011    -0.02798
   80    66 S   CA   _C8_    54     1.41248   119.29506    -0.45284
   81    79 S   OH   _O26    58     1.36615   116.12633  -179.97202
   82    81 S   HO   _H45    59     0.96961   109.99726     0.05234
  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
  17   2   1   1  16  17   8   5   1  13   5   6   2   1   5   3
  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6   3
   2  12   5   2   1   1   1   1   7   4   6   3   5   3   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    71    38    39    44    47    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    63    71    72    38    39    44    45    46    47    48    50    40    41  
   35    36  
   36  
    0  
   42    43    49    53    71    38    39    44    55    47    48    50    51    52    40    41  
   39    44    45    46    55    47    40    41    42    49    53    58    63    64    65    71    72  
   44    45    46    40    49    63    71    72  
   41    42    44    47    71  
    0  
   43    49    53    54    57    63    71    72    55    56    47    48    50  
   49    53    71    55    47  
   45    46    49    63    71    72  
   46    71  
   71  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    59    63    64    65    71    72    55    56  
   51    52  
   52  
    0  
   54    57    58    60    80    59    61    63    71    72    55    56  
   57    58    59    71    55  
   56    57    63    71    72  
   71  
   58    60    66    79    80    59    61    62    67    63    64    65    71  
   60    66    73    80    59    61    67    68    69    70    63    64    65    71    72  
   61    62    81    63    60    66    73    77    79    80  
   66    73    74    75    79    80    67    68    69    70    63    64    65    71  
   62    66    79    80  
   80  
   64    65    71    72    66    67  
   65    71    72  
   71    72  
   73    74    75    76    77    79    80    81    67    68    69    70  
   68    69    70    73    80  
   69    70  
   70  
    0  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    80  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82  
   81    82  
   82  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   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   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   320.000  1.462
   37    47   465.000  1.376
   42    43   570.000  1.229
   42    49   317.000  1.522
   49    53   317.000  1.522
   49    71   268.000  1.529
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    59   469.000  1.400
   58    60   469.000  1.400
   58    63   317.000  1.510
   60    66   469.000  1.400
   60    67   317.000  1.510
   66    73   469.000  1.400
   66    80   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    59   469.000  1.400
   59    61   450.000  1.364
   61    62   553.000  0.945
   81    82   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    38   268.000  1.529
   38    39   340.000  1.090
   38    44   300.000  1.468
   44    45   495.000  1.019
   44    46   495.000  1.019
   55    56   553.000  0.945
   47    48   745.000  1.250
   47    50   415.000  1.382
   50    51   434.000  1.010
   50    52   434.000  1.010
   40    41   553.000  0.945
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    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    65.00000  116.34900
   33    37    47    70.00000  124.00000
   33    38    71    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    80.00000  112.76400
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  123.72100
   37    42    49    65.00000  118.62400
   37    47    48    65.00000  137.10300
   37    47    50    75.00000  114.40000
   42    49    53    75.00000  107.99600
   42    49    71    63.00000  111.10000
   42    49    55    90.00000  109.61100
   49    42    43    80.00000  120.40000
   49    53    54    80.00000  120.40000
   49    53    57    65.00000  115.47100
   49    71    63    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    38    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    59    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    60    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    80    63.00000  120.00000
   57    59    61    70.00000  120.00000
   58    60    66    63.00000  120.00000
   58    60    67    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    71    70.00000  112.17500
   60    66    73    63.00000  120.00000
   60    66    80    63.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   66    80    79    63.00000  120.00000
   66    80    59    63.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    81    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    59    63.00000  120.00000
   79    81    82    35.00000  113.00000
   80    66    73    63.00000  120.00000
   80    59    61    70.00000  120.00000
   59    57    58    63.00000  120.00000
   59    61    62    35.00000  113.00000
   81    79    80    70.00000  120.00000
   67    60    66    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    58    60    70.00000  120.00000
   63    71    72    37.50000  110.70000
   63    71    38    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    49    53    63.00000  111.10000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    38    39    37.50000  110.70000
   71    38    44    80.00000  112.76400
   38    33    37    70.00000  112.02700
   38    71    72    37.50000  110.70000
   38    44    45    50.00000  110.30900
   38    44    46    50.00000  110.30900
   44    38    39    50.00000  110.79000
   46    44    45    40.00000  106.77200
   55    49    53    90.00000  109.61100
   55    49    71    50.00000  109.50000
   47    37    42    60.00000  125.92000
   47    50    51    50.00000  121.48000
   47    50    52    50.00000  121.48000
   50    47    48   105.00000  113.92000
   52    50    51    35.00000  109.00000
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    38    71   0.44750  1.0 1.0
   29    33    38    71  -0.17800 -1.0 2.0
   29    33    38    71   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    49   0.25700  1.0 1.0
   33    37    42    49   0.66200 -1.0 2.0
   33    37    42    49   0.04450  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    50   7.00000 -1.0 2.0
   33    38    44    45   0.21650  1.0 1.0
   33    38    44    45   0.26250 -1.0 2.0
   33    38    44    45   0.12450  1.0 3.0
   33    38    44    46   0.21650  1.0 1.0
   33    38    44    46   0.26250 -1.0 2.0
   33    38    44    46   0.12450  1.0 3.0
   37    33    38    71   0.34400  1.0 1.0
   37    33    38    71   0.09450 -1.0 2.0
   37    33    38    71   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   0.59950  1.0 1.0
   37    33    38    44  -0.21400 -1.0 2.0
   37    33    38    44   0.56200  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    49    53   0.65300  1.0 1.0
   37    42    49    53  -0.03850 -1.0 2.0
   37    42    49    53   0.33900  1.0 3.0
   37    42   -49    71   0.65300  1.0 1.0
   37    42   -49    71  -0.03850 -1.0 2.0
   37    42   -49    71   0.33900  1.0 3.0
   37    42    49    55   0.65300  1.0 1.0
   37    42    49    55  -0.03850 -1.0 2.0
   37    42    49    55   0.33900  1.0 3.0
   37    47    50    51   1.00000 -1.0 2.0
   37    47    50    52   1.00000 -1.0 2.0
   42    37    47    48   7.00000 -1.0 2.0
   42    37    47    50   7.00000 -1.0 2.0
   42    49    53    54   0.30150 -1.0 2.0
   42    49    53    57   0.65300  1.0 1.0
   42    49    53    57  -0.03850 -1.0 2.0
   42    49    53    57   0.33900  1.0 3.0
   42    49    71    63  -0.95700  1.0 1.0
   42    49    71    63  -0.18200 -1.0 2.0
   42    49    71    63   0.29450  1.0 3.0
   42    49    71    72  -0.11250  1.0 3.0
   42    49    71    38  -0.95700  1.0 1.0
   42    49    71    38  -0.18200 -1.0 2.0
   42    49    71    38   0.29450  1.0 3.0
   42    49    55    56   0.91850  1.0 1.0
   42    49    55    56   0.57950  1.0 3.0
   43    42    49    53   0.30150 -1.0 2.0
   43    42    49    71   0.30150 -1.0 2.0
   43    42    49    55   0.30150 -1.0 2.0
   49    53    57    58   2.26350  1.0 1.0
   49    53    57    58   0.76750 -1.0 2.0
   49    53    57    58   0.22500  1.0 3.0
   49    53    57    59   2.26350  1.0 1.0
   49    53    57    59   0.76750 -1.0 2.0
   49    53    57    59   0.22500  1.0 3.0
   49    71   -38    33   0.56750  1.0 1.0
   49    71   -38    33  -0.07550 -1.0 2.0
   49    71   -38    33   0.20000  1.0 3.0
   49    71    38    39   0.15000  1.0 3.0
   49    71    38    44   1.85550  1.0 1.0
   49    71    38    44  -0.84100 -1.0 2.0
   53    49    71    63  -0.95700  1.0 1.0
   53    49    71    63  -0.18200 -1.0 2.0
   53    49    71    63   0.29450  1.0 3.0
   53    49    71    72  -0.11250  1.0 3.0
   53    49    71    38  -0.95700  1.0 1.0
   53    49    71    38  -0.18200 -1.0 2.0
   53    49    71    38   0.29450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    58    60   3.62500 -1.0 2.0
   53    57   -58    63   3.62500 -1.0 2.0
   53    57    59    80   3.62500 -1.0 2.0
   53    57    59    61   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    59   1.05000 -1.0 2.0
   57    58    60    66   3.62500 -1.0 2.0
   57    58    60    67   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    71   0.04150 -1.0 2.0
   57    59    61    62   0.84100 -1.0 2.0
   58    57    59    80   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   58    60    66    73   3.62500 -1.0 2.0
   58    60   -66    80   3.62500 -1.0 2.0
   58    60    67    68   0.00000  1.0 1.0
   58    60    67    69   0.00000  1.0 1.0
   58    60    67    70   0.00000  1.0 1.0
   58    63   -71    49  -0.03700  1.0 1.0
   58    63   -71    49   0.37200 -1.0 2.0
   58    63   -71    49  -0.47300  1.0 3.0
   58    63    71    72   0.43200  1.0 3.0
   58    63    71    38  -0.03700  1.0 1.0
   58    63    71    38   0.37200 -1.0 2.0
   58    63    71    38  -0.47300  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    71   0.04150 -1.0 2.0
   60    66    73    74   3.62500 -1.0 2.0
   60    66    73    75   3.62500 -1.0 2.0
   60    66    80    79   3.62500 -1.0 2.0
   60    66    80    59   3.62500 -1.0 2.0
   66    60    67    68   0.00000  1.0 1.0
   66    60    67    69   0.00000  1.0 1.0
   66    60    67    70   0.00000  1.0 1.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73    75    77   3.62500 -1.0 2.0
   66    80   -59    57   3.62500 -1.0 2.0
   66    80    59    61   3.62500 -1.0 2.0
   73    66    80    79   3.62500 -1.0 2.0
   73    66    80    59   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -80    66   3.62500 -1.0 2.0
   77    79    80    59   3.62500 -1.0 2.0
   77    79    81    82   0.84100 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    80    59    57   3.62500 -1.0 2.0
   79    80    59    61   3.62500 -1.0 2.0
   80    66    73    74   3.62500 -1.0 2.0
   80    66   -73    75   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   80    59    61    62   0.84100 -1.0 2.0
   59    57   -58    60   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   81    79    80    66   3.62500 -1.0 2.0
   81    79    80    59   3.62500 -1.0 2.0
   67    60    66    73   3.62500 -1.0 2.0
   67    60    66    80   3.62500 -1.0 2.0
   63    58    60    66   3.62500 -1.0 2.0
   63    58    60    67   3.62500 -1.0 2.0
   63    71    38    33   0.56750  1.0 1.0
   63    71    38    33  -0.07550 -1.0 2.0
   63    71    38    33   0.20000  1.0 3.0
   63    71    38    39   0.15000  1.0 3.0
   63    71    38    44   1.85550  1.0 1.0
   63    71    38    44  -0.84100 -1.0 2.0
   64    63    71    49   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    38   0.15000  1.0 3.0
   65    63    71    49   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    38   0.15000  1.0 3.0
   71    49    53    54   0.30150 -1.0 2.0
   71    49   -53    57   0.05850 -1.0 2.0
   71    49   -53    57   0.17250  1.0 3.0
   71    49    55    56  -0.11600  1.0 1.0
   71    49    55    56  -0.09450 -1.0 2.0
   71    49    55    56   0.21250  1.0 3.0
   71    38    44    45   0.21650  1.0 1.0
   71    38    44    45   0.26250 -1.0 2.0
   71    38    44    45   0.12450  1.0 3.0
   71    38    44    46   0.21650  1.0 1.0
   71    38    44    46   0.26250 -1.0 2.0
   71    38    44    46   0.12450  1.0 3.0
   72    71    38    33   0.15000  1.0 3.0
   72    71    38    39   0.15000  1.0 3.0
   72    71    38    44   0.15000  1.0 3.0
   38    33   -37    42   0.09700  1.0 1.0
   38    33   -37    42   0.15600 -1.0 2.0
   38    33   -37    42  -0.50800  1.0 3.0
   38    33    37    47   0.09850  1.0 1.0
   38    33    37    47   0.15250 -1.0 2.0
   38    33    37    47  -0.50650  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   39    38    44    45   0.20000  1.0 3.0
   39    38    44    46   0.20000  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.65300  1.0 1.0
   55    49    53    57  -0.03850 -1.0 2.0
   55    49    53    57   0.33900  1.0 3.0
   55    49    71    63   0.86500  1.0 1.0
   55    49    71    63  -0.17500 -1.0 2.0
   55    49    71    63   0.20800  1.0 3.0
   55    49    71    72   0.23400  1.0 3.0
   55    49    71    38   0.86500  1.0 1.0
   55    49    71    38  -0.17500 -1.0 2.0
   55    49    71    38   0.20800  1.0 3.0
   47    37    42    43   1.00000 -1.0 2.0
   47    37    42    49  -0.33500  1.0 1.0
   47    37    42    49   1.06600 -1.0 2.0
   47    37    42    49  -0.14000  1.0 3.0
   48    47    50    51   1.00000 -1.0 2.0
   48    47    50    52   1.00000 -1.0 2.0
   40    33    37    42   0.09700  1.0 1.0
   40    33    37    42   0.15600 -1.0 2.0
   40    33    37    42  -0.50800  1.0 3.0
   40    33    37    47   0.67800  1.0 1.0
   40    33    37    47   0.47050 -1.0 2.0
   40    33    37    47  -0.62500  1.0 3.0
   40    33    38    71   0.86500  1.0 1.0
   40    33    38    71  -0.17500 -1.0 2.0
   40    33    38    71   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   5.28650  1.0 1.0
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    42    37    47   1.10000 -1.0 2.0
   37    49    42    43  10.50000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    59    57    53   4.00000 -1.0 2.0
   60    63    58    57   4.00000 -1.0 2.0
   66    67    60    58   4.00000 -1.0 2.0
   73    80    66    60   4.00000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    81    79    77   4.00000 -1.0 2.0
   79    59    80    66   4.00000 -1.0 2.0
   80    61    59    57   4.00000 -1.0 2.0
   50    48    47    37   1.10000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
