* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    226     430
    1     0 S   NP   _N1_     1    28.77071    95.94979   -24.02983
    2     1 S   H    _HN1     2     1.02949    79.02378    -3.25516
    3     1 S   H    _H1_     3     1.02830    28.63452   164.97622
    4     1 S   H    _H2_     4     1.02787   112.49195  -108.75187
    5     1 S   CT   _CA1     5     1.50108   127.84179   104.16362
    6     5 S   HC   _HA1     6     1.09572   105.19601    85.82024
    7     5 S   CO3  _C1_     7     1.53787   112.47689   -34.43877
    8     7 S   O2Z  _O11     8     1.26373   115.00244   -42.24405
    9     7 S   O2Z  _O12     9     1.26237   114.94976   136.91165
   10     5 S   CT   _CB1    10     1.53082   107.43615  -156.16294
   11    10 S   HC   HB11    11     1.09834   109.39681   -49.45981
   12    10 S   HC   HB12    12     1.09813   110.44343    67.16049
   13    10 S   CT   _CG1    13     1.52995   112.59374  -170.41735
   14    13 S   HC   HG11    14     1.09579   110.65246   -65.60451
   15    13 S   HC   HG12    15     1.09669   109.77092    53.63359
   16    13 S   C    _CD1    16     1.51784   112.19876   174.13479
   17    16 S   O    _OE1    17     1.22737   123.26585     8.07178
   18    16 S   N    _N2_    18     1.38645   111.69160  -172.11908
   19    18 S   H    _HN2    19     1.01578   119.01845     1.50194
   20    18 S   CT1  _CA2    20     1.46106   123.36160   177.84478
   21    20 S   HC   _HA2    21     1.09603   109.26894     2.65955
   22    20 S   C    _C2_    22     1.53554   108.96354  -112.47926
   23    22 S   O    _O2_    23     1.23062   122.22961  -149.91404
   24    20 S   CT   _CB2    32     1.53240   111.62050   124.97336
   25    24 S   HC   HB21    33     1.09643   109.81203    61.15333
   26    24 S   HC   HB22    34     1.09554   110.90830   178.66104
   27    22 S   N    _N3_    24     1.38310   113.75627    37.66578
   28    27 S   H    _HN3    25     1.01578   119.55924    -3.52042
   29    24 S   S    _SG2    35     1.82767   114.22218   -58.79647
   30    27 S   CT   _CA3    26     1.45275   123.24483   177.03337
   31    30 S   HC   HA31    27     1.09549   107.54357   -63.93840
   32    30 S   HC   HA32    28     1.09557   107.95934    52.50765
   33    29 S   CT   _C22    36     1.82216    99.68764   -65.69131
   34    33 S   HC   _H3_    37     1.09497   109.51286    71.81999
   35    33 S   HC   _H4_    38     1.09440   109.18344   -44.43572
   36    30 S   CO3  _C3_    29     1.52961   114.04493   174.48751
   37    36 S   O2Z  _O31    30     1.26381   116.05899    -0.31652
   38    36 S   O2Z  _O32    31     1.26423   114.41670   179.73607
   39    33 S   CM   _C12    39     1.51882   110.04294  -167.74131
   40    39 S   CMA  _C13    40     1.36577   123.39194    97.87008
   41    40 S   OM   _O20    41     1.26885   124.92433   178.46469
   42    39 S   CT   _C20    77     1.51713   113.25611   -84.12996
   43    42 S   HC   _H39    78     1.09539   109.95557   -58.34356
   44    42 S   HC   _H40    79     1.09481   110.46025    61.19498
   45    42 S   HC   _H41    80     1.09387   113.62719  -178.41798
   46    40 S   OS   _O25    42     1.41841   110.81627    -1.74136
   47    46 S   CT   _C17    43     1.44557   119.05450  -174.83396
   48    47 S   HC   _H35    44     1.09742   111.09470    27.03890
   49    47 S   CT   _C14    45     1.55254   106.24389   -91.58620
   50    49 S   HC   _H31    46     1.09891   107.59946   -50.32517
   51    49 S   HC   _H32    47     1.09856   109.20513    60.28445
   52    47 S   CT   _C16    59     1.56344   106.98718   142.95753
   53    52 S   HC   _H34    60     1.09525   108.72282  -168.17402
   54    49 S   CT   _C18    48     1.54120   118.13380  -175.33772
   55    52 S   CM   _C8_    61     1.49528   113.36695   -50.11245
   56    54 S   CO4  _C9_    49     1.51455   110.58775   150.71813
   57    56 S   O    _O21    50     1.22051   126.38521    84.94729
   58    55 S   CO4  _C10    62     1.46986   110.36507   118.53112
   59    58 S   O    _O22    63     1.21799   126.97520  -178.84869
   60    55 S   CM   _C11    65     1.33654   127.98704   -61.66379
   61    60 S   HC   _H29    66     1.08495   120.78993     0.31652
   62    60 S   HC   _H30    67     1.08497   121.81845   179.81869
   63    54 S   CT   _C21    73     1.51719   113.73232   -80.67717
   64    63 S   HC   _H42    74     1.09528   110.91204    62.07315
   65    63 S   HC   _H43    75     1.09475   111.54429   -59.27982
   66    63 S   HC   _H44    76     1.09617   110.94448  -179.55457
   67    56 S   CM   _C4_    51     1.46508   109.99523   -91.35354
   68    67 S   HC   _H27    52     1.07328   127.42354   159.56883
   69    79 S   OS   _O24    64     1.44653   107.36479   170.46477
   70    67 S   CM   _C7_    53     1.33014   100.30002   -10.58478
   71    70 S   CM   _C6_    54     1.44167   128.18576   165.58755
   72    54 S   OS   _O23    72     1.43243   110.02976    42.15097
   73    71 S   CM   _C5_    55     1.35136   120.97407  -114.03676
   74    73 S   HC   _H28    56     1.08918   117.86145  -178.85431
   75    71 S   CT   _C19    68     1.50035   116.54744    66.89289
   76    75 S   HC   _H36    69     1.09530   110.78890   -63.03606
   77    75 S   HC   _H37    70     1.09540   111.91928   177.04044
   78    75 S   HC   _H38    71     1.09549   110.57939    57.29333
   79    73 S   CT   _C15    57     1.52194   126.50414     4.64469
   80    79 S   HC   _H33    58     1.09447   108.38743    57.32370
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  17   8
  16   6   5  14   7  11   9  10   5   8   3   4   1   1   6   3
   2   1   6   3   5   9   9   2   7   3   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    79    52    53    55  
   48    49    50    51    54    56    73    79    80    52    53    55    58    69    60    72    63  
   49    50    51    54    79    52    53    55  
   50    51    54    56    57    67    70    79    52    53    55    72    63    64    65    66  
   51    54    56    52    72    63  
   54    56    52    72    63  
   53    55    58    59    69    60    61    62    54    71    73    74    79    80  
   55    58    69    60    73    79    80  
   56    57    67    68    70    71    72    63    64    65    66  
   58    59    69    60    61    62    73    79    80  
   57    67    68    70    71    72    63    64    65    66  
   67    68    70    72    63  
   59    69    60    61    62    73    79    80  
   69    60    79  
   61    62    69    79  
   62  
    0  
   64    65    66    67    70    72  
   65    66    72  
   66    72  
   72  
   68    70    71    73    75    72  
   70    71    72  
   71    73    74    79    80  
   71    73    74    79    75    76    77    78    72  
   73    74    79    80    75    76    77    78    72  
   73    75  
   74    79    80    75    76    77    78  
   79    80    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    56   317.000  1.522
   54    72   320.000  1.410
   54    63   268.000  1.529
   56    57   570.000  1.229
   56    67   320.000  1.462
   67    68   340.000  1.080
   67    70   549.000  1.340
   70    71   380.000  1.444
   70    72   440.000  1.360
   71    73   549.000  1.340
   71    75   317.000  1.510
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    52   268.000  1.529
   79    69   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    69   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   47    52    79    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    63.00000  111.10000
   49    54    72    50.00000  109.50000
   49    54    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    67    65.00000  118.62400
   54    72    70    90.00000  111.18400
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    67    68    40.00000  117.72500
   56    67    70    65.00000  118.96000
   67    56    57    80.00000  123.72100
   67    70    71    70.00000  123.01800
   67    70    72    80.00000  120.01400
   70    67    68    35.00000  120.00000
   70    71    73    70.00000  123.01800
   70    71    75    70.00000  124.00000
   71    73    74    35.00000  120.00000
   71    73    79    70.00000  124.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   73    79    80    35.00000  109.50000
   73    79    52    70.00000  112.02700
   73    79    69    85.00000  110.90400
   79    73    74    35.00000  117.00000
   79    52    53    37.50000  110.70000
   79    52    55    70.00000  112.02700
   79    69    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    79    80    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    69    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   69    79    80    35.00000  109.50000
   69    79    52    50.00000  109.50000
   69    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   75    71    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   72    54    56    90.00000  108.74100
   72    70    71    80.00000  120.01400
   63    54    56    63.00000  111.10000
   63    54    72    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.62750  1.0 1.0
   46    47    49    54  -0.30950 -1.0 2.0
   46    47    49    54   0.27300  1.0 3.0
   46    47    52    79   0.62750  1.0 1.0
   46    47    52    79  -0.30950 -1.0 2.0
   46    47    52    79   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56  -0.95700  1.0 1.0
   47    49    54    56  -0.18200 -1.0 2.0
   47    49    54    56   0.29450  1.0 3.0
   47    49    54    72   0.62750  1.0 1.0
   47    49    54    72  -0.30950 -1.0 2.0
   47    49    54    72   0.27300  1.0 3.0
   47    49    54    63   0.56750  1.0 1.0
   47    49    54    63  -0.07550 -1.0 2.0
   47    49    54    63   0.20000  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    79   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    79   0.56750  1.0 1.0
   49    47    52    79  -0.07550 -1.0 2.0
   49    47    52    79   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   0.30150 -1.0 2.0
   49    54    56    67   0.65300  1.0 1.0
   49    54    56    67  -0.03850 -1.0 2.0
   49    54    56    67   0.33900  1.0 3.0
   49    54    72    70  -0.46850  1.0 1.0
   49    54    72    70   0.09300 -1.0 2.0
   49    54    72    70  -0.12850  1.0 3.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    65   0.15000  1.0 3.0
   49    54    63    66   0.15000  1.0 3.0
   50    49    54    56  -0.11250  1.0 3.0
   50    49    54    72   0.23400  1.0 3.0
   50    49    54    63   0.15000  1.0 3.0
   51    49    54    56  -0.11250  1.0 3.0
   51    49    54    72   0.23400  1.0 3.0
   51    49    54    63   0.15000  1.0 3.0
   54    56    67    68   0.04550  1.0 1.0
   54    56    67    68   0.83000 -1.0 2.0
   54    56    67    68  -0.04000  1.0 3.0
   54    56   -67    70  -0.33500  1.0 1.0
   54    56   -67    70   1.06600 -1.0 2.0
   54    56   -67    70  -0.14000  1.0 3.0
   56    54   -72    70  -0.48150  1.0 1.0
   56    54   -72    70   0.09250 -1.0 2.0
   56    54   -72    70  -0.12850  1.0 3.0
   56    54    63    64  -0.11250  1.0 3.0
   56    54    63    65  -0.11250  1.0 3.0
   56    54    63    66  -0.11250  1.0 3.0
   56    67    70    71   7.00000 -1.0 2.0
   56    67   -70    72   7.00000 -1.0 2.0
   57    56    67    68   0.00000  1.0 1.0
   57    56    67    70   1.00000 -1.0 2.0
   67    70    71    73   0.28850  1.0 1.0
   67    70    71    73   2.61350 -1.0 2.0
   67    70    71    73   0.78400  1.0 3.0
   67    70    71    75  -0.18600  1.0 3.0
   67    70   -72    54  -2.26850  1.0 1.0
   67    70   -72    54   3.39050 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   70    71    73    74   7.00000 -1.0 2.0
   70    71    73    79   7.00000 -1.0 2.0
   70    71    75    76   0.00000  1.0 1.0
   70    71    75    77   0.00000  1.0 1.0
   70    71    75    78   0.00000  1.0 1.0
   71    70    72    54  -2.26850  1.0 1.0
   71    70    72    54   3.39050 -1.0 2.0
   71    73    79    80   0.00000  1.0 1.0
   71    73    79    52   0.09850  1.0 1.0
   71    73    79    52   0.15250 -1.0 2.0
   71    73    79    52  -0.50650  1.0 3.0
   71    73    79    69   0.39000  1.0 1.0
   71    73    79    69  -0.05800 -1.0 2.0
   71    73    79    69  -0.55150  1.0 3.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   73    71    75    78   0.00000  1.0 1.0
   73    79    52    47   0.34400  1.0 1.0
   73    79    52    47   0.09450 -1.0 2.0
   73    79    52    47   0.11100  1.0 3.0
   73    79    52    53   0.15000  1.0 3.0
   73    79    52    55   0.31000  1.0 1.0
   73    79    52    55   0.14700 -1.0 2.0
   73    79    52    55   0.07550  1.0 3.0
   73    79    69    58  -0.82050  1.0 1.0
   73    79    69    58   0.00600 -1.0 2.0
   73    79    69    58   0.04400  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    52   0.00000  1.0 1.0
   74    73    79    69   0.00000  1.0 1.0
   79    52   -55    58   0.09700  1.0 1.0
   79    52   -55    58   0.15600 -1.0 2.0
   79    52   -55    58  -0.50800  1.0 3.0
   79    52    55    60   0.09850  1.0 1.0
   79    52    55    60   0.15250 -1.0 2.0
   79    52    55    60  -0.50650  1.0 3.0
   80    79    52    47   0.15000  1.0 3.0
   80    79    52    53   0.15000  1.0 3.0
   80    79    52    55   0.15000  1.0 3.0
   80    79    69    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.56750  1.0 1.0
   52    47    49    54  -0.07550 -1.0 2.0
   52    47    49    54   0.20000  1.0 3.0
   52    79   -69    58  -0.25900  1.0 1.0
   52    79   -69    58  -0.47000 -1.0 2.0
   52    79   -69    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    69  -0.15000  1.0 1.0
   52    55   -58    69   0.89550 -1.0 2.0
   52    55   -58    69  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -69    79   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    69    79   3.00000 -1.0 2.0
   69    79    52    47   0.62750  1.0 1.0
   69    79    52    47  -0.30950 -1.0 2.0
   69    79    52    47   0.27300  1.0 3.0
   69    79    52    53   0.23400  1.0 3.0
   69    79   -52    55   0.61850  1.0 1.0
   69    79   -52    55  -0.22750 -1.0 2.0
   69    79   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    69  -0.56150  1.0 1.0
   60    55    58    69   2.19150 -1.0 2.0
   75    71    73    74   7.00000 -1.0 2.0
   75    71    73    79   7.00000 -1.0 2.0
   72    54    56    57   0.30150 -1.0 2.0
   72    54   -56    67   0.65300  1.0 1.0
   72    54   -56    67  -0.03850 -1.0 2.0
   72    54   -56    67   0.33900  1.0 3.0
   72    54    63    64   0.23400  1.0 3.0
   72    54    63    65   0.23400  1.0 3.0
   72    54    63    66   0.23400  1.0 3.0
   72    70    71    73  -0.51250  1.0 1.0
   72    70    71    73   1.23350 -1.0 2.0
   72    70    71    75   1.08500 -1.0 2.0
   63    54    56    57   0.30150 -1.0 2.0
   63    54    56    67   0.65300  1.0 1.0
   63    54    56    67  -0.03850 -1.0 2.0
   63    54    56    67   0.33900  1.0 3.0
   63    54    72    70  -0.46850  1.0 1.0
   63    54    72    70   0.09300 -1.0 2.0
   63    54    72    70  -0.12850  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   54    67    56    57  10.50000 -1.0 2.0
   56    68    67    70   1.10000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
   70    75    71    73   1.10000 -1.0 2.0
   79    74    73    71   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    69    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
