* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    159    249     463
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02149    68.62890   -98.75717
    3     1 S   H    _H1_     3     1.02065   104.44701     6.02613
    4     1 S   H    _H2_     4     1.02096    44.34473   108.13195
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01782
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C8_    36     1.81869    98.23910   161.81952
   34    33 S   HC   _H4_    37     1.09471   109.35775   -55.76684
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C5_    38     1.48915   110.68346  -179.97202
   39    38 S   CM   _C6_    39     1.33427   108.60020  -107.42751
   40    38 S   CT   _C4_    80     1.48672   122.86717    73.94751
   41    40 S   HC   _H8_    81     1.09285   110.10638   -91.61299
   42    40 S   HC   _H9_    82     1.09260   110.16752   148.27495
   43    40 S   HC   _H10    83     1.09180   110.14963    28.54307
   44    39 S   OS   _O33    40     1.39004   115.45202     0.04846
   45    39 S   OH   _O38    78     1.36902   124.22427   179.27180
   46    45 S   HO   _H25    79     0.96674   110.45234   179.97202
   47    33 S   CO   _C7_    41     1.53696   111.54149    68.71858
   48    47 S   HC   _H3_    42     1.09649   113.13759   -20.75710
   49    47 S   OS   _O34    43     1.41280   108.76444  -140.03726
   50    49 S   CM   _C9_    44     1.36657   113.09003   162.85758
   51    50 S   HC   _H11    45     1.07890   111.36792    29.90689
   52    50 S   CM   _C10    46     1.33615   124.90206  -150.05001
   53    52 S   CO4  _C16    47     1.47340   121.71605   179.97202
   54    53 S   O    _O36    48     1.21718   126.98649     4.59039
   55    53 S   OS   _O35    49     1.36152   107.37586  -175.95790
   56    55 S   CT   _C15    50     1.43176   111.88796     4.70311
   57    56 S   HC   _H6_    51     1.09531   109.45625  -132.87969
   58    56 S   CM   _C14    52     1.50144   112.14745   103.00069
   59    58 S   CM   _C13    53     1.34258   110.85914  -125.68513
   60    59 S   CT   _C12    54     1.49709   112.40700    -0.66940
   61    60 S   HC   _H12    55     1.09405   112.03235   132.00586
   62    60 S   HC   _H13    56     1.09618   109.45846  -107.64248
   63    59 S   CT   _C20    59     1.49277   124.74552  -177.66947
   64    63 S   HC   _H7_    60     1.09650   108.55801   109.62939
   65    52 S   CT   _C11    57     1.48932   128.44736     0.11014
   66    65 S   HC   _H5_    58     1.09704   109.45724   -72.29870
   67    63 S   CT   _C19    61     1.53314   112.10211   -11.87669
   68    67 S   HC   _H16    62     1.09723   110.36799   -82.36572
   69    67 S   HC   _H17    63     1.09706   109.14897   162.38190
   70    63 S   OH   _O37    76     1.42452   109.64063  -132.87529
   71    70 S   HO   _H18    77     0.97044   106.61135   179.97202
   72    67 S   CT   _C18    64     1.52968   111.64221    40.72245
   73    72 S   HC   _H14    65     1.09981   108.17786    62.56299
   74    72 S   HC   _H15    66     1.09770   109.37248   177.76971
   75    58 S   CT   _C17    67     1.51471   124.92490    57.49942
   76    75 S   CT   _C21    68     1.53943   111.29623    41.74335
   77    76 S   HC   _H19    69     1.08474   109.20421   179.97202
   78    76 S   HC   _H20    70     1.08534   109.19146    60.01335
   79    76 S   HC   _H21    71     1.08502   109.24274   -59.96578
   80    75 S   CT   _C22    72     1.54068   109.73146   -78.68116
   81    80 S   HC   _H22    73     1.08416   109.12819   179.96044
   82    80 S   HC   _H23    74     1.08375   109.11667    59.99266
   83    80 S   HC   _H24    75     1.08444   109.14510   -60.02309
  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
  13   7   2   1   1  11  10   6   2   1   1   6   2   1   5   2
   5   9   3  12   8   3   8  13   6  22  16   9   4   3  11   6
   2   1  10   6   5   2   1  11   4   3   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    47    48    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    47    48    49    50    45    40    41    42    43  
   38    39    44    47    48    49    40  
   36    37  
   37  
    0  
   39    44    47    48    49    45    46    40    41    42    43  
   44    47    48    49    45    46    40    41    42    43  
   41    42    43    44    45    47  
   42    43  
   43  
    0  
   47    48    49    50    45    46  
   46    47  
    0  
   48    49    50    51    52  
   49    50  
   50    51    52    53    65  
   51    52    53    54    55    56    60    65    66  
   52    53    65  
   53    54    55    56    57    58    59    60    61    62    65    66  
   54    55    56    57    58    60    65    66  
   55    56    65  
   56    57    58    59    60    65    66    75  
   57    58    59    60    61    62    65    66    63    72    75    76    80  
   58    59    60    65    66    75  
   59    60    61    62    65    66    63    64    67    72    73    74    75    76    77    78    79    80    81    82    83    70  
   60    61    62    65    66    63    64    67    68    69    72    75    76    80    70    71  
   61    62    65    66    63    64    67    75    70  
   62    65    66    63  
   65    66    63  
   64    67    68    69    72    73    74    75    70    71    65  
   67    68    69    72    70    71  
   66    75  
    0  
   68    69    72    73    74    75    76    80    70    71  
   69    72    73    74    75    70  
   72    73    74    75    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   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
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    47   250.000  1.527
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    44   440.000  1.360
   39    45   510.000  1.338
   44    47   320.000  1.380
   47    48   340.000  1.090
   47    49   320.000  1.380
   49    50   440.000  1.360
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    65   317.000  1.510
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.510
   56    65   268.000  1.529
   58    59   549.000  1.340
   58    75   317.000  1.510
   59    60   317.000  1.510
   59    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   70    71   553.000  0.945
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    47    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    47    44    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    35.00000  109.50000
   38    39    44    80.00000  120.01400
   38    39    45    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    43    35.00000  109.50000
   39    44    47    85.00000  113.97000
   39    45    46    70.00000  107.45700
   44    47    48    35.00000  109.50000
   44    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    70.00000  112.02700
   47    49    50    85.00000  113.97000
   49    47    48    35.00000  109.50000
   49    50    51    55.00000  109.52600
   49    50    52    80.00000  120.01400
   50    52    53    65.00000  118.96000
   50    52    65    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    55    90.00000  111.29400
   52    65    56    70.00000  112.02700
   52    65    60    70.00000  112.02700
   52    65    66    35.00000  109.50000
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    85.00000  110.90400
   55    56    65    50.00000  109.50000
   56    58    59    70.00000  124.00000
   56    58    75    65.00000  117.92700
   56    65    60    58.35000  112.70000
   56    65    66    37.50000  110.70000
   58    56    57    35.00000  109.50000
   58    59    60    70.00000  124.00000
   58    59    63    70.00000  124.00000
   58    75    72    70.00000  112.02700
   58    75    76    70.00000  112.02700
   58    75    80    70.00000  112.02700
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    65    70.00000  112.02700
   59    63    64    35.00000  109.50000
   59    63    67    70.00000  112.02700
   59    63    70    90.00000  110.39200
   60    65    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    52    53    65.00000  116.34900
   65    56    57    37.50000  110.70000
   65    56    58    70.00000  112.02700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   63    59    60    65.00000  117.92700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    58.35000  112.70000
   63    70    71    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    58    59    70.00000  124.00000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    50.00000  109.50000
   45    39    44   115.00000  116.36000
   40    38    39    70.00000  124.00000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38   -39    44   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    43   0.34800  1.0 3.0
   33    47    49    50  -0.46850  1.0 1.0
   33    47    49    50   0.09300 -1.0 2.0
   33    47    49    50  -0.12850  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    47    44   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.23400  1.0 3.0
   38    33   -47    44   0.61850  1.0 1.0
   38    33   -47    44  -0.22750 -1.0 2.0
   38    33   -47    44   0.15300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.61850  1.0 1.0
   38    33    47    49  -0.22750 -1.0 2.0
   38    33    47    49   0.15300  1.0 3.0
   38    39   -44    47  -2.26850  1.0 1.0
   38    39   -44    47   3.39050 -1.0 2.0
   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
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    44   -47    33  -0.46850  1.0 1.0
   39    44   -47    33   0.09300 -1.0 2.0
   39    44   -47    33  -0.12850  1.0 3.0
   39    44    47    48   0.08050  1.0 3.0
   39    44    47    49  -0.48150  1.0 1.0
   39    44    47    49   0.09250 -1.0 2.0
   39    44    47    49  -0.12850  1.0 3.0
   44    39    45    46   2.00000 -1.0 2.0
   44    47    49    50  -0.48150  1.0 1.0
   44    47    49    50   0.09250 -1.0 2.0
   44    47    49    50  -0.12850  1.0 3.0
   47    33   -38    39   0.09850  1.0 1.0
   47    33   -38    39   0.15250 -1.0 2.0
   47    33   -38    39  -0.50650  1.0 3.0
   47    33    38    40   0.46850  1.0 1.0
   47    33    38    40   0.08550 -1.0 2.0
   47    33    38    40   0.09800  1.0 3.0
   47    49    50    51   0.50000 -1.0 2.0
   47    49    50    52  -2.26850  1.0 1.0
   47    49    50    52   3.39050 -1.0 2.0
   48    47    49    50   0.08050  1.0 3.0
   49    50    52    53   7.00000 -1.0 2.0
   49    50    52    65   7.00000 -1.0 2.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52    53    55  -0.56150  1.0 1.0
   50    52    53    55   2.19150 -1.0 2.0
   50    52    65    56   0.09850  1.0 1.0
   50    52    65    56   0.15250 -1.0 2.0
   50    52    65    56  -0.50650  1.0 3.0
   50    52    65    60   0.09850  1.0 1.0
   50    52    65    60   0.15250 -1.0 2.0
   50    52    65    60  -0.50650  1.0 3.0
   50    52    65    66   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    65   7.00000 -1.0 2.0
   52    53   -55    56   2.00000 -1.0 2.0
   53    52   -65    56   0.09700  1.0 1.0
   53    52   -65    56   0.15600 -1.0 2.0
   53    52   -65    56  -0.50800  1.0 3.0
   53    52    65    60   0.09700  1.0 1.0
   53    52    65    60   0.15600 -1.0 2.0
   53    52    65    60  -0.50800  1.0 3.0
   53    52    65    66   0.15000  1.0 3.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.82050  1.0 1.0
   53    55    56    58   0.00600 -1.0 2.0
   53    55    56    58   0.04400  1.0 3.0
   53    55   -56    65  -0.25900  1.0 1.0
   53    55   -56    65  -0.47000 -1.0 2.0
   53    55   -56    65   0.11750  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.39000  1.0 1.0
   55    56    58    59  -0.05800 -1.0 2.0
   55    56    58    59  -0.55150  1.0 3.0
   55    56    58    75   0.09700  1.0 1.0
   55    56    58    75   0.15600 -1.0 2.0
   55    56    58    75  -0.50800  1.0 3.0
   55    56   -65    52   0.61850  1.0 1.0
   55    56   -65    52  -0.22750 -1.0 2.0
   55    56   -65    52   0.15300  1.0 3.0
   55    56    65    60   0.62750  1.0 1.0
   55    56    65    60  -0.30950 -1.0 2.0
   55    56    65    60   0.27300  1.0 3.0
   55    56    65    66   0.23400  1.0 3.0
   56    58   -59    60   7.00000 -1.0 2.0
   56    58    59    63   7.00000 -1.0 2.0
   56    58    75    72   0.46850  1.0 1.0
   56    58    75    72   0.08550 -1.0 2.0
   56    58    75    72   0.09800  1.0 3.0
   56    58    75    76   0.46850  1.0 1.0
   56    58    75    76   0.08550 -1.0 2.0
   56    58    75    76   0.09800  1.0 3.0
   56    58    75    80   0.46850  1.0 1.0
   56    58    75    80   0.08550 -1.0 2.0
   56    58    75    80   0.09800  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    75   0.34800  1.0 3.0
   57    56    65    52   0.15000  1.0 3.0
   57    56    65    60   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   58    56    65    52   0.31000  1.0 1.0
   58    56    65    52   0.14700 -1.0 2.0
   58    56    65    52   0.07550  1.0 3.0
   58    56   -65    60   0.34400  1.0 1.0
   58    56   -65    60   0.09450 -1.0 2.0
   58    56   -65    60   0.11100  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    59    60    61   0.00000  1.0 1.0
   58    59    60    62   0.00000  1.0 1.0
   58    59   -60    65   0.09850  1.0 1.0
   58    59   -60    65   0.15250 -1.0 2.0
   58    59   -60    65  -0.50650  1.0 3.0
   58    59    63    64   0.00000  1.0 1.0
   58    59    63    67   0.09850  1.0 1.0
   58    59    63    67   0.15250 -1.0 2.0
   58    59    63    67  -0.50650  1.0 3.0
   58    59    63    70   0.67800  1.0 1.0
   58    59    63    70   0.47050 -1.0 2.0
   58    59    63    70  -0.62500  1.0 3.0
   58    75    76    77   0.15000  1.0 3.0
   58    75    76    78   0.15000  1.0 3.0
   58    75    76    79   0.15000  1.0 3.0
   58    75    80    81   0.15000  1.0 3.0
   58    75    80    82   0.15000  1.0 3.0
   58    75    80    83   0.15000  1.0 3.0
   59    58    75    72   0.09850  1.0 1.0
   59    58    75    72   0.15250 -1.0 2.0
   59    58    75    72  -0.50650  1.0 3.0
   59    58    75    76   0.09850  1.0 1.0
   59    58    75    76   0.15250 -1.0 2.0
   59    58    75    76  -0.50650  1.0 3.0
   59    58    75    80   0.09850  1.0 1.0
   59    58    75    80   0.15250 -1.0 2.0
   59    58    75    80  -0.50650  1.0 3.0
   59    60    65    52   0.31000  1.0 1.0
   59    60    65    52   0.14700 -1.0 2.0
   59    60    65    52   0.07550  1.0 3.0
   59    60   -65    56   0.34400  1.0 1.0
   59    60   -65    56   0.09450 -1.0 2.0
   59    60   -65    56   0.11100  1.0 3.0
   59    60    65    66   0.15000  1.0 3.0
   59    63    67    68   0.15000  1.0 3.0
   59    63    67    69   0.15000  1.0 3.0
   59    63   -67    72   0.34400  1.0 1.0
   59    63   -67    72   0.09450 -1.0 2.0
   59    63   -67    72   0.11100  1.0 3.0
   59    63    70    71  -0.07800  1.0 1.0
   59    63    70    71  -0.21500 -1.0 2.0
   59    63    70    71  -0.03150  1.0 3.0
   60    59    63    64   0.34800  1.0 3.0
   60    59    63    67   0.46850  1.0 1.0
   60    59    63    67   0.08550 -1.0 2.0
   60    59    63    67   0.09800  1.0 3.0
   60    59    63    70   0.18000  1.0 1.0
   60    59    63    70   0.16450 -1.0 2.0
   60    59    63    70   0.04450  1.0 3.0
   61    60    65    52   0.15000  1.0 3.0
   61    60    65    56   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   62    60    65    52   0.15000  1.0 3.0
   62    60    65    56   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   65    52    53    54  -0.64400  1.0 1.0
   65    52    53    54   0.26850 -1.0 2.0
   65    52   -53    55  -0.15000  1.0 1.0
   65    52   -53    55   0.89550 -1.0 2.0
   65    52   -53    55  -0.06900  1.0 3.0
   65    56   -58    59   0.09850  1.0 1.0
   65    56   -58    59   0.15250 -1.0 2.0
   65    56   -58    59  -0.50650  1.0 3.0
   65    56    58    75   0.46850  1.0 1.0
   65    56    58    75   0.08550 -1.0 2.0
   65    56    58    75   0.09800  1.0 3.0
   63    59    60    61   0.34800  1.0 3.0
   63    59    60    62   0.34800  1.0 3.0
   63    59    60    65   0.46850  1.0 1.0
   63    59    60    65   0.08550 -1.0 2.0
   63    59    60    65   0.09800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.56750  1.0 1.0
   63    67    72    75  -0.07550 -1.0 2.0
   63    67    72    75   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   67    63    70    71  -0.11600  1.0 1.0
   67    63    70    71  -0.09450 -1.0 2.0
   67    63    70    71   0.21250  1.0 3.0
   67    72   -75    58   0.34400  1.0 1.0
   67    72   -75    58   0.09450 -1.0 2.0
   67    72   -75    58   0.11100  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    58   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    58   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    58    59    60   7.00000 -1.0 2.0
   75    58   -59    63   7.00000 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   70    63    67    68   0.23400  1.0 3.0
   70    63    67    69   0.23400  1.0 3.0
   70    63    67    72   0.86500  1.0 1.0
   70    63    67    72  -0.17500 -1.0 2.0
   70    63    67    72   0.20800  1.0 3.0
   45    39    44    47   2.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    38    39    45   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
   44    45    39    38   1.10000 -1.0 2.0
   49    51    50    52   1.10000 -1.0 2.0
   53    65    52    50   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   56    75    58    59   1.10000 -1.0 2.0
   60    63    59    58   1.10000 -1.0 2.0
END
