* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    152    252     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02044   104.70505   -33.26974
    3     1 S   H    _H1_     3     1.02101    67.75415    71.21329
    4     1 S   H    _H2_     4     1.02111    45.11186  -135.13610
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.84774    97.31822  -178.16400
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C21    37     1.51151   106.95914   -79.99692
   38    33 S   CT   _C19    69     1.55040   113.64940   158.50715
   39    38 S   HC   _H4_    70     1.09671   108.78155  -167.76560
   40    33 S   OH   _O38    82     1.43108   109.41697    38.31427
   41    40 S   HO   _H16    83     0.96754   106.23761    63.17934
   42    37 S   CMA  _C23    38     1.49396   116.77633   -78.68614
   43    42 S   OM   _O37    39     1.22945   121.09701   136.30107
   44    38 S   NP   _N5_    71     1.49598   109.48330   -54.79007
   45    44 S   H    _H17    72     1.02101   110.34133   -14.19307
   46    44 S   H    _H18    73     1.02113   110.30256  -134.20043
   47    44 S   H    _H19    74     1.02121   110.30696   105.76612
   48    37 S   C    _C22    77     1.34054   127.08516   103.13204
   49    48 S   O    _O36    78     1.26190   130.13537   178.19875
   50    42 S   CT   _C16    40     1.52589   116.07791   -45.88734
   51    48 S   N    _N4_    79     1.37445   120.14032    -1.83323
   52    51 S   H    _H14    80     1.01243   119.33647     0.06853
   53    51 S   H    _H15    81     1.01165   120.25391   179.97202
   54    50 S   CO4  _C15    41     1.52723   112.43811   -77.83972
   55    54 S   O    _O35    42     1.22969   119.88615   -27.92720
   56    50 S   OH   _O39    75     1.42412   107.41305   167.15416
   57    56 S   HO   _H20    76     0.96950   106.64416    59.84547
   58    54 S   CA   _C7_    43     1.48581   118.61178   154.22918
   59    58 S   CA   _C6_    44     1.39899   120.32749    -2.14128
   60    59 S   CA   _C5_    45     1.40275   119.00195   179.28618
   61    59 S   CT   _C18    64     1.50287   121.57792     1.80244
   62    61 S   HC   _H12    65     1.09799   107.61614    92.27645
   63    61 S   HC   _H13    66     1.09307   112.37998  -151.40831
   64    60 S   CA   _C10    46     1.40413   121.37212     1.17520
   65    60 S   CT   _C4_    60     1.50188   115.46156  -177.38341
   66    65 S   HC   _H5_    61     1.09260   109.85478   -91.43911
   67    65 S   HC   _H6_    62     1.09475   110.74275    29.08843
   68    65 S   HC   _H7_    63     1.09422   110.78984   147.98436
   69    50 S   CT   _C17    67     1.54141   110.40400    48.52735
   70    69 S   HC   _H3_    68     1.09905   108.28976    65.29441
   71    64 S   CA   _C9_    47     1.41347   119.27597    -0.44675
   72    71 S   CA   _C14    48     1.40426   119.25905   179.93744
   73    58 S   CA   _C8_    57     1.40203   119.34265   178.39428
   74    72 S   CA   _C13    49     1.39531   120.73419     0.06853
   75    74 S   HA   _H9_    50     1.08680   120.41946   180.00000
   76    72 S   OH   _O33    55     1.36581   123.13373  -179.97202
   77    76 S   HO   _H10    56     0.96912   110.01489  -179.97202
   78    73 S   OH   _O34    58     1.36770   119.62411    -0.00000
   79    78 S   HO   _H11    59     0.96794   109.84020     0.05234
   80    74 S   CA   _C12    51     1.39044   120.01069    -0.02798
   81    80 S   HA   _H8_    52     1.08789   118.39980  -179.94405
   82    64 S   CA   _C11    53     1.40471   121.48528   179.59218
   83    82 S   Cl   Cl1_    54     1.73989   126.92547    -0.58417
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   2   1   1  16  18   9   5   1  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  15   7   3   2  14
   5   2   1   1   1   1  11   9   5   7   4   2   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    69    38    39    44    48    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    50    61    69    70    38    39    44    45    46    47    48    49    51    40    41  
   35    36  
   36  
    0  
   42    43    50    54    69    38    39    44    56    48    49    51    52    53    40    41  
   39    44    45    46    47    56    48    40    41    42    50    54    59    61    62    63    69    70  
   44    45    46    47    40    50    61    69    70  
   41    42    44    48    69  
    0  
   43    50    54    55    58    61    69    70    56    57    48    49    51  
   50    54    69    56    48  
   45    46    47    50    61    69    70  
   46    47    69  
   47    69  
   69  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    73    61    62    63    69    70    56    57  
   52    53  
   53  
    0  
   55    58    59    60    71    73    78    61    69    70    56    57  
   58    59    73    69    56  
   57    58    61    69    70  
   69  
   59    60    64    71    72    73    78    79    65    61    62    63    69  
   60    64    71    82    73    78    65    66    67    68    61    62    63    69    70  
   64    71    72    80    82    83    73    65    66    67    68    61    62    63    69  
   62    63    69    70    64    65    73  
   63    69    70  
   69    70  
   71    72    74    80    81    82    83    76    73    78    65    66    67    68  
   66    67    68    71    82  
   67    68  
   68  
    0  
   70  
    0  
   72    74    75    80    82    83    76    77    73    78    79  
   74    75    80    81    82    76    77    73    78  
   78    79    74    76    82  
   75    80    81    82    83    76    77  
   80    81    82    76  
   77    80  
    0  
   79  
    0  
   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   0.432500   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   465.000  1.376
   37    48   410.000  1.444
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    54   317.000  1.522
   50    69   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    73   469.000  1.400
   59    60   469.000  1.400
   59    61   317.000  1.510
   60    64   469.000  1.400
   60    65   317.000  1.510
   64    71   469.000  1.400
   64    82   469.000  1.400
   71    72   469.000  1.400
   71    73   469.000  1.400
   72    74   469.000  1.400
   72    76   450.000  1.364
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   300.000  1.725
   76    77   553.000  0.945
   73    78   450.000  1.364
   78    79   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    38   268.000  1.529
   38    39   340.000  1.090
   38    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   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    70.00000  124.00000
   33    37    48    70.00000  119.70000
   33    38    69    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    80.00000  111.20000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   37    48    49    80.00000  125.30000
   37    48    51    80.00000  111.56200
   42    50    54    70.00000  109.06800
   42    50    69    70.00000  112.02700
   42    50    56    90.00000  110.39200
   50    42    43    85.00000  112.85300
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    69    61    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    38    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    73    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    73    71    63.00000  120.00000
   58    73    78    70.00000  120.00000
   59    60    64    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    69    70.00000  112.17500
   60    64    71    63.00000  120.00000
   60    64    82    63.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    71    72    63.00000  120.00000
   64    71    73    63.00000  120.00000
   64    82    80    63.00000  120.00000
   64    82    83    75.00000  120.00000
   71    72    74    63.00000  120.00000
   71    72    76    70.00000  120.00000
   71    73    78    70.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    80    63.00000  120.00000
   72    76    77    35.00000  113.00000
   74    80    81    35.00000  120.00000
   74    80    82    63.00000  120.00000
   80    74    75    35.00000  120.00000
   80    82    83    75.00000  120.00000
   82    64    71    63.00000  120.00000
   82    80    81    35.00000  120.00000
   76    72    74    70.00000  120.00000
   73    58    59    63.00000  120.00000
   73    71    72    63.00000  120.00000
   73    78    79    35.00000  113.00000
   65    60    64    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    69    70    37.50000  110.70000
   61    69    38    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    50    54    63.00000  111.10000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    38    39    37.50000  110.70000
   69    38    44    80.00000  111.20000
   38    33    37    70.00000  112.02700
   38    69    70    37.50000  110.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   44    38    39    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    69    50.00000  109.50000
   48    37    42    60.00000  120.04000
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
   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   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    48   0.09700  1.0 1.0
   29    33    37    48   0.15600 -1.0 2.0
   29    33    37    48  -0.50800  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   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   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    37    48    49  -0.64400  1.0 1.0
   33    37    48    49   0.26850 -1.0 2.0
   33    37    48    51   1.59650  1.0 1.0
   33    37    48    51   0.42750 -1.0 2.0
   33    37    48    51  -0.48350  1.0 3.0
   33    38    44    45   0.17350  1.0 3.0
   33    38    44    46   0.17350  1.0 3.0
   33    38    44    47   0.17350  1.0 3.0
   37    33    38    69   0.34400  1.0 1.0
   37    33    38    69   0.09450 -1.0 2.0
   37    33    38    69   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44  -0.47300  1.0 1.0
   37    33    38    44   0.29700 -1.0 2.0
   37    33    38    44   0.83300  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    50    54  -0.51250  1.0 1.0
   37    42    50    54  -0.88800 -1.0 2.0
   37    42    50    54   0.08850  1.0 3.0
   37    42   -50    69   0.09850  1.0 1.0
   37    42   -50    69   0.15250 -1.0 2.0
   37    42   -50    69  -0.50650  1.0 3.0
   37    42    50    56   0.67800  1.0 1.0
   37    42    50    56   0.47050 -1.0 2.0
   37    42    50    56  -0.62500  1.0 3.0
   37    48    51    52   2.56700 -1.0 2.0
   37    48    51    53   2.56700 -1.0 2.0
   42    37    48    49   1.00000 -1.0 2.0
   42    37    48    51   0.49500  1.0 1.0
   42    37    48    51   1.31600 -1.0 2.0
   42    37    48    51  -0.02300  1.0 3.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    69    61   0.34400  1.0 1.0
   42    50    69    61   0.09450 -1.0 2.0
   42    50    69    61   0.11100  1.0 3.0
   42    50    69    70   0.15000  1.0 3.0
   42    50    69    38   0.34400  1.0 1.0
   42    50    69    38   0.09450 -1.0 2.0
   42    50    69    38   0.11100  1.0 3.0
   42    50    56    57  -0.07800  1.0 1.0
   42    50    56    57  -0.21500 -1.0 2.0
   42    50    56    57  -0.03150  1.0 3.0
   43    42    50    54   0.09700  1.0 1.0
   43    42    50    54   0.15600 -1.0 2.0
   43    42    50    54  -0.50800  1.0 3.0
   43    42    50    69   0.09700  1.0 1.0
   43    42    50    69   0.15600 -1.0 2.0
   43    42    50    69  -0.50800  1.0 3.0
   43    42    50    56   0.09700  1.0 1.0
   43    42    50    56   0.15600 -1.0 2.0
   43    42    50    56  -0.50800  1.0 3.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    73   2.26350  1.0 1.0
   50    54    58    73   0.76750 -1.0 2.0
   50    54    58    73   0.22500  1.0 3.0
   50    69   -38    33   0.56750  1.0 1.0
   50    69   -38    33  -0.07550 -1.0 2.0
   50    69   -38    33   0.20000  1.0 3.0
   50    69    38    39   0.15000  1.0 3.0
   50    69    38    44   1.36600  1.0 1.0
   50    69    38    44  -0.11450 -1.0 2.0
   50    69    38    44   0.24250  1.0 3.0
   54    50    69    61  -0.95700  1.0 1.0
   54    50    69    61  -0.18200 -1.0 2.0
   54    50    69    61   0.29450  1.0 3.0
   54    50    69    70  -0.11250  1.0 3.0
   54    50    69    38  -0.95700  1.0 1.0
   54    50    69    38  -0.18200 -1.0 2.0
   54    50    69    38   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    60   3.62500 -1.0 2.0
   54    58   -59    61   3.62500 -1.0 2.0
   54    58    73    71   3.62500 -1.0 2.0
   54    58    73    78   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    73   1.05000 -1.0 2.0
   58    59    60    64   3.62500 -1.0 2.0
   58    59    60    65   3.62500 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    69   0.04150 -1.0 2.0
   58    73    78    79   0.84100 -1.0 2.0
   59    58    73    71   3.62500 -1.0 2.0
   59    58    73    78   3.62500 -1.0 2.0
   59    60   -64    71   3.62500 -1.0 2.0
   59    60    64    82   3.62500 -1.0 2.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   59    61   -69    50  -0.03700  1.0 1.0
   59    61   -69    50   0.37200 -1.0 2.0
   59    61   -69    50  -0.47300  1.0 3.0
   59    61    69    70   0.43200  1.0 3.0
   59    61    69    38  -0.03700  1.0 1.0
   59    61    69    38   0.37200 -1.0 2.0
   59    61    69    38  -0.47300  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    69   0.04150 -1.0 2.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    73   3.62500 -1.0 2.0
   60    64    82    80   3.62500 -1.0 2.0
   60    64    82    83   3.62500 -1.0 2.0
   64    60    65    66   0.00000  1.0 1.0
   64    60    65    67   0.00000  1.0 1.0
   64    60    65    68   0.00000  1.0 1.0
   64    71    72    74   3.62500 -1.0 2.0
   64    71    72    76   3.62500 -1.0 2.0
   64    71   -73    58   3.62500 -1.0 2.0
   64    71    73    78   3.62500 -1.0 2.0
   71    64    82    80   3.62500 -1.0 2.0
   71    64    82    83   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72   -74    80   3.62500 -1.0 2.0
   71    72    76    77   0.84100 -1.0 2.0
   71    73    78    79   0.84100 -1.0 2.0
   72    71    73    58   3.62500 -1.0 2.0
   72    71    73    78   3.62500 -1.0 2.0
   72    74    80    81   3.62500 -1.0 2.0
   72    74    80    82   3.62500 -1.0 2.0
   74    72    76    77   0.84100 -1.0 2.0
   74    80   -82    64   3.62500 -1.0 2.0
   74    80    82    83   3.62500 -1.0 2.0
   75    74    80    81   3.62500 -1.0 2.0
   75    74    80    82   3.62500 -1.0 2.0
   81    80    82    64   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    64   -71    72   3.62500 -1.0 2.0
   82    64    71    73   3.62500 -1.0 2.0
   76    72    74    75   3.62500 -1.0 2.0
   76    72    74    80   3.62500 -1.0 2.0
   73    58   -59    60   3.62500 -1.0 2.0
   73    58    59    61   3.62500 -1.0 2.0
   73    71    72    74   3.62500 -1.0 2.0
   73    71    72    76   3.62500 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60    64    82   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   61    69    38    33   0.56750  1.0 1.0
   61    69    38    33  -0.07550 -1.0 2.0
   61    69    38    33   0.20000  1.0 3.0
   61    69    38    39   0.15000  1.0 3.0
   61    69    38    44   1.36600  1.0 1.0
   61    69    38    44  -0.11450 -1.0 2.0
   61    69    38    44   0.24250  1.0 3.0
   62    61    69    50   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    38   0.15000  1.0 3.0
   63    61    69    50   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    38   0.15000  1.0 3.0
   69    50    54    55   0.30150 -1.0 2.0
   69    50   -54    58   0.05850 -1.0 2.0
   69    50   -54    58   0.17250  1.0 3.0
   69    50    56    57  -0.11600  1.0 1.0
   69    50    56    57  -0.09450 -1.0 2.0
   69    50    56    57   0.21250  1.0 3.0
   69    38    44    45   0.17350  1.0 3.0
   69    38    44    46   0.17350  1.0 3.0
   69    38    44    47   0.17350  1.0 3.0
   70    69    38    33   0.15000  1.0 3.0
   70    69    38    39   0.15000  1.0 3.0
   70    69    38    44   0.19200  1.0 3.0
   38    33   -37    42   0.09850  1.0 1.0
   38    33   -37    42   0.15250 -1.0 2.0
   38    33   -37    42  -0.50650  1.0 3.0
   38    33    37    48   0.09700  1.0 1.0
   38    33    37    48   0.15600 -1.0 2.0
   38    33    37    48  -0.50800  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   0.13050  1.0 3.0
   39    38    44    46   0.13050  1.0 3.0
   39    38    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    69    61   0.86500  1.0 1.0
   56    50    69    61  -0.17500 -1.0 2.0
   56    50    69    61   0.20800  1.0 3.0
   56    50    69    70   0.23400  1.0 3.0
   56    50    69    38   0.86500  1.0 1.0
   56    50    69    38  -0.17500 -1.0 2.0
   56    50    69    38   0.20800  1.0 3.0
   48    37    42    43   7.00000 -1.0 2.0
   48    37    42    50   7.00000 -1.0 2.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    48   0.09700  1.0 1.0
   40    33    37    48   0.15600 -1.0 2.0
   40    33    37    48  -0.50800  1.0 3.0
   40    33    38    69   0.86500  1.0 1.0
   40    33    38    69  -0.17500 -1.0 2.0
   40    33    38    69   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   1.69300  1.0 1.0
   40    33    38    44  -0.48450 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    48    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    73    58    54   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   64    65    60    59   4.00000 -1.0 2.0
   71    82    64    60   4.00000 -1.0 2.0
   72    73    71    64   4.00000 -1.0 2.0
   74    76    72    71   4.00000 -1.0 2.0
   80    75    74    72   1.10000 -1.0 2.0
   82    81    80    74   1.10000 -1.0 2.0
   80    83    82    64   4.00000 -1.0 2.0
   71    78    73    58   4.00000 -1.0 2.0
   37    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
