* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    150    241     433
    1     0 S   NP   _N1_     1    28.69806    95.61018   -20.57797
    2     1 S   H    _HN1     2     1.02776    86.23754   -86.99672
    3     1 S   H    _H1_     3     1.02962    84.89568    21.83022
    4     1 S   H    _H2_     4     1.02834    38.42131   147.61707
    5     1 S   CT   _CA1     5     1.50136   149.11326   143.91169
    6     5 S   HC   _HA1     6     1.09567   105.22788    61.61534
    7     5 S   CO3  _C1_     7     1.53782   112.47176   -58.62789
    8     7 S   O2Z  _O11     8     1.26367   115.01220   -39.98073
    9     7 S   O2Z  _O12     9     1.26238   114.98694   139.31701
   10     5 S   CT   _CB1    10     1.53099   107.42540   179.66898
   11    10 S   HC   HB11    11     1.09824   109.39703   -49.30458
   12    10 S   HC   HB12    12     1.09825   110.34471    67.27100
   13    10 S   CT   _CG1    13     1.53018   112.74388  -170.38378
   14    13 S   HC   HG11    14     1.09583   110.43893   -63.37621
   15    13 S   HC   HG12    15     1.09644   110.01910    55.88482
   16    13 S   C    _CD1    16     1.51819   112.28740   176.27201
   17    16 S   O    _OE1    17     1.22723   123.23769    -2.45032
   18    16 S   N    _N2_    18     1.38622   111.63432   177.57053
   19    18 S   H    _HN2    19     1.01581   119.08056     1.74809
   20    18 S   CT1  _CA2    20     1.46308   123.42116  -178.05942
   21    20 S   HC   _HA2    21     1.09739   109.33567    -8.93681
   22    20 S   C    _C2_    22     1.53413   108.74057  -124.60455
   23    22 S   O    _O2_    23     1.23018   122.22183  -148.14897
   24    20 S   CT   _CB2    32     1.53406   111.17124   112.90689
   25    24 S   HC   HB21    33     1.09562   109.56351    55.46375
   26    24 S   HC   HB22    34     1.09474   110.60363   174.62900
   27    22 S   N    _N3_    24     1.38509   113.45125    39.50136
   28    27 S   H    _HN3    25     1.01509   118.88881    -0.78009
   29    24 S   S    _SG2    35     1.82742   111.17297   -65.45904
   30    27 S   CT   _CA3    26     1.45442   123.45036   174.75070
   31    30 S   HC   HA31    27     1.09523   109.22997    24.73346
   32    30 S   HC   HA32    28     1.09494   107.13017   141.76462
   33    29 S   CT   _C19    36     1.86974    99.62226   161.63984
   34    33 S   HC   _H3_    37     1.09584   106.33186   -44.34309
   35    30 S   CO3  _C3_    29     1.52932   113.10192   -98.71591
   36    35 S   O2Z  _O31    30     1.26405   115.41579   -43.69750
   37    35 S   O2Z  _O32    31     1.26356   114.97498   137.21797
   38    33 S   C5B  _C20    38     1.52605   109.27249  -157.99758
   39    33 S   CM   _C16    69     1.53343   107.29514    75.75862
   40    38 S   C56B _C23    39     1.45672   122.42138    58.01369
   41    38 S   C5A  _C21    51     1.39952   131.41907  -127.96514
   42    39 S   CMA  _C17    70     1.37309   121.92650  -116.03788
   43    42 S   OM   _O35    71     1.27057   125.18378    -0.18131
   44    40 S   CA   _C24    40     1.41565   134.36130     2.12006
   45    44 S   HA   _H17    41     1.08608   121.04458     1.62654
   46    41 S   CM   _C6_    52     1.43100   139.19646    -4.05994
   47    42 S   OS   _O36    72     1.42404   112.49474  -178.30200
   48    44 S   CA   _C25    42     1.39961   119.94696  -178.88057
   49    48 S   HA   _H18    43     1.08674   119.58780   179.97202
   50    46 S   CM   _C7_    53     1.34594   125.97148    50.12522
   51    50 S   HC   _H7_    54     1.08997   118.15477   175.12299
   52    47 S   CT   _C18    73     1.42728   113.56222  -136.14297
   53    52 S   HC   _H13    74     1.09400   107.75665   170.56310
   54    52 S   HC   _H14    75     1.09548   111.10339    52.37264
   55    52 S   HC   _H15    76     1.09472   111.03118   -71.47103
   56    46 S   CO4  _C5_    77     1.50161   120.17114  -133.04424
   57    56 S   O    _O34    78     1.22298   124.66720  -146.54048
   58    48 S   CA   _C26    44     1.39057   120.60331    -0.13417
   59    58 S   HA   _H19    45     1.08693   119.62005   179.85463
   60    50 S   C5B  _C8_    55     1.42275   128.76290    -7.66398
   61    56 S   OS   _O33    79     1.36207   109.41223    34.41996
   62    58 S   CA   _C27    46     1.39615   120.75918    -0.56752
   63    62 S   HA   _H20    47     1.08491   120.89533  -179.27126
   64    60 S   C56B _C9_    56     1.42468   128.02736   137.56173
   65    60 S   C5A  _C15    68     1.37518   123.73297   -49.01229
   66    61 S   CT   _C4_    80     1.43028   115.35839   179.31472
   67    66 S   HC   _H4_    81     1.09326   108.09821   179.85873
   68    66 S   HC   _H5_    82     1.09422   110.28014    61.18506
   69    66 S   HC   _H6_    83     1.09419   110.29249   -61.43429
   70    40 S   C56A _C22    48     1.38885   108.04639  -177.84496
   71    64 S   CA   _C10    57     1.41083   134.69687    -4.29642
   72    71 S   HA   _H8_    58     1.08627   120.73080     0.08847
   73    70 S   NA   _N5_    49     1.36741   106.62195    -1.89795
   74    73 S   H    _H16    50     1.01053   123.42501  -178.47389
   75    71 S   CA   _C11    59     1.39960   119.37610  -179.67135
   76    75 S   HA   _H9_    60     1.08684   119.52475   179.87489
   77    75 S   CA   _C12    61     1.39302   120.74757    -0.08156
   78    77 S   HA   _H10    62     1.08711   119.57269   180.00000
   79    77 S   CA   _C13    63     1.39757   121.02164    -0.11703
   80    79 S   HA   _H11    64     1.08491   120.95476  -179.73312
   81    64 S   C56A _C14    65     1.39820   106.79645   175.70874
   82    81 S   NA   _N4_    66     1.37771   107.27161    -0.81541
   83    82 S   H    _H12    67     1.01081   124.85003  -179.60733
  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   8   5   4   3
  15   6   2   1   1  15  13  12  12   9   3   8   4  12   5   6
   3  11   4   3   2   1   1   8   2   5   3   9   4   4   2  11
   5   3   2   1   1   2   8   4   1   1   6   3   5   3   4   2
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    41    65    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    44    70    73    41    46    60    82    65    39    42    43    47  
   38    40    41    65    39    42  
   36    37  
   37  
    0  
   40    44    45    48    62    70    73    74    41    46    50    65    39    42    56  
   42    43    47    52    40    41    50    60    64    65    81    82    83  
   44    45    48    49    58    62    63    70    73    74    41    46  
   46    50    51    60    56    57    61    44    62    70    73    74  
   43    47    52    53    54    55    60    65    82  
   47    52    65  
   45    48    49    58    59    62    70    73  
   48    49    58    70  
   50    51    60    64    65    56    57    61    66    70    73    74  
   52    53    54    55    65  
   49    58    59    62    63    70  
   58    59    62  
   51    60    64    71    81    82    65    56    57    61    73  
   60    64    65    56  
   53    54    55  
   54    55  
   55  
    0  
   57    61    66    67    68    69    60    73  
   61    66  
   59    62    63    70    73  
   62    63    70  
   64    71    72    75    79    81    82    83    65  
   66    67    68    69  
   63    70    73    74  
   70    73  
   71    72    75    76    77    79    80    81    82    83    65  
   71    79    81    82    83  
   67    68    69  
   68    69  
   69  
    0  
   73    74  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   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   0.163400   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   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   74   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   295.000  1.494
   33    39   317.000  1.510
   38    40   380.000  1.440
   38    41   520.000  1.370
   40    44   469.000  1.404
   40    70   447.000  1.419
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    73   428.000  1.380
   73    74   434.000  1.010
   73    41   427.000  1.381
   41    46   375.000  1.423
   46    50   549.000  1.340
   46    56   320.000  1.462
   50    51   340.000  1.080
   50    60   320.000  1.460
   60    64   380.000  1.440
   60    65   520.000  1.370
   64    71   469.000  1.404
   64    81   447.000  1.419
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   428.000  1.380
   82    83   434.000  1.010
   82    65   427.000  1.381
   65    39   375.000  1.423
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    55.00000  128.73000
   33    38    41    55.00000  127.77900
   33    39    65    65.00000  118.87000
   33    39    42    70.00000  124.00000
   38    33    34    45.00000  111.11700
   38    40    44    50.00000  134.85500
   38    40    70    80.00000  107.43600
   38    41    73    70.00000  106.30000
   38    41    46    55.00000  128.32000
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   40    70    62    85.00000  122.70000
   40    70    73    70.00000  104.40000
   44    48    49    35.00000  120.00000
   44    48    58    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    58    59    35.00000  120.00000
   48    58    62    63.00000  120.00000
   58    48    49    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    85.00000  120.00000
   62    58    59    35.00000  120.00000
   62    70    73    70.00000  132.80000
   70    40    44    85.00000  116.20000
   70    62    63    35.00000  120.00000
   70    73    74    35.00000  123.10000
   70    73    41    90.00000  107.14200
   73    41    46    70.00000  120.38000
   41    38    40    80.00000  105.82900
   41    73    74    35.00000  120.00000
   41    46    50    55.00000  128.24000
   41    46    56    75.00000  114.44000
   46    50    51    35.00000  120.00000
   46    50    60    60.00000  123.20500
   46    56    57    80.00000  123.72100
   46    56    61    90.00000  111.29400
   50    60    64    60.00000  120.93500
   50    60    65    60.00000  120.93500
   60    50    51    40.00000  117.26300
   60    64    71    50.00000  134.85500
   60    64    81    80.00000  107.43600
   60    65    82    70.00000  106.30000
   60    65    39    55.00000  128.32000
   64    71    72    35.00000  120.00000
   64    71    75    63.00000  120.00000
   64    81    79    85.00000  122.70000
   64    81    82    70.00000  104.40000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    85.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  132.80000
   81    64    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    65    90.00000  107.14200
   82    65    39    70.00000  120.38000
   65    60    64    80.00000  105.82900
   65    82    83    35.00000  120.00000
   65    39    42    55.00000  128.24000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.36000
   39    42    43    65.00000  137.10300
   39    42    47    80.00000  120.01400
   42    47    52    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    50    65.00000  118.96000
   56    61    66    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    39    65   0.09700  1.0 1.0
   29    33    39    65   0.15600 -1.0 2.0
   29    33    39    65  -0.50800  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    40    70   3.62500 -1.0 2.0
   33    38    41    73   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    39    65   0.77000  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    65   0.09700  1.0 1.0
   38    33    39    65   0.15600 -1.0 2.0
   38    33    39    65  -0.50800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    48   3.62500 -1.0 2.0
   38    40    70    62   3.00000 -1.0 2.0
   38    40   -70    73   3.00000 -1.0 2.0
   38    41    46    50   0.15800  1.0 1.0
   38    41    46    50   1.85350 -1.0 2.0
   38    41    46    50  -0.48700  1.0 3.0
   38    41    46    56  -0.01750  1.0 1.0
   38    41    46    56  -0.32000 -1.0 2.0
   38    41    46    56   0.00600  1.0 3.0
   40    38   -41    73   3.62500 -1.0 2.0
   40    38    41    46   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    58   3.62500 -1.0 2.0
   40    70    73    74   1.52500 -1.0 2.0
   40    70   -73    41   3.62500 -1.0 2.0
   44    40    70    62   3.00000 -1.0 2.0
   44    40    70    73   3.00000 -1.0 2.0
   44    48    58    59   3.62500 -1.0 2.0
   44    48   -58    62   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    58   3.62500 -1.0 2.0
   48    58    62    63   3.62500 -1.0 2.0
   48    58    62    70   3.62500 -1.0 2.0
   49    48    58    59   3.62500 -1.0 2.0
   49    48    58    62   3.62500 -1.0 2.0
   58    62   -70    40   3.62500 -1.0 2.0
   58    62    70    73   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    70   3.62500 -1.0 2.0
   62    70    73    74   1.52500 -1.0 2.0
   62    70    73    41   3.62500 -1.0 2.0
   63    62    70    40   3.62500 -1.0 2.0
   63    62    70    73   3.62500 -1.0 2.0
   70    40    44    45   3.50000 -1.0 2.0
   70    40   -44    48   3.50000 -1.0 2.0
   70    73   -41    38   3.62500 -1.0 2.0
   70    73    41    46   3.62500 -1.0 2.0
   73    41    46    50   0.11450  1.0 1.0
   73    41    46    50   1.85100 -1.0 2.0
   73    41    46    50  -0.49050  1.0 3.0
   73    41    46    56  -0.01750  1.0 1.0
   73    41    46    56  -0.32000 -1.0 2.0
   73    41    46    56   0.00600  1.0 3.0
   74    73    41    38   1.40000 -1.0 2.0
   74    73    41    46   2.00000 -1.0 2.0
   41    38    40    44   3.62500 -1.0 2.0
   41    38   -40    70   3.50000 -1.0 2.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    60   7.00000 -1.0 2.0
   41    46    56    57  -0.52200  1.0 1.0
   41    46    56    57   0.82950 -1.0 2.0
   41    46    56    61   1.50000 -1.0 2.0
   46    50    60    64   0.15800  1.0 1.0
   46    50    60    64   1.85350 -1.0 2.0
   46    50    60    64  -0.48700  1.0 3.0
   46    50    60    65   0.15800  1.0 1.0
   46    50    60    65   1.85350 -1.0 2.0
   46    50    60    65  -0.48700  1.0 3.0
   46    56    61    66   2.00000 -1.0 2.0
   50    46    56    57   1.00000 -1.0 2.0
   50    46    56    61  -0.56150  1.0 1.0
   50    46    56    61   2.19150 -1.0 2.0
   50    60    64    71   3.62500 -1.0 2.0
   50    60    64    81   3.62500 -1.0 2.0
   50    60    65    82   3.62500 -1.0 2.0
   50    60    65    39   3.62500 -1.0 2.0
   51    50    60    64   0.56550  1.0 3.0
   51    50    60    65   0.56550  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    75   3.62500 -1.0 2.0
   60    64    81    79   3.00000 -1.0 2.0
   60    64   -81    82   3.00000 -1.0 2.0
   60    65    39    33  -0.02500  1.0 1.0
   60    65    39    33  -0.32150 -1.0 2.0
   60    65    39    33  -0.01500  1.0 3.0
   60    65    39    42   0.15800  1.0 1.0
   60    65    39    42   1.85350 -1.0 2.0
   60    65    39    42  -0.48700  1.0 3.0
   64    60   -65    82   3.62500 -1.0 2.0
   64    60    65    39   3.62500 -1.0 2.0
   64    71    75    76   3.62500 -1.0 2.0
   64    71    75    77   3.62500 -1.0 2.0
   64    81    82    83   1.52500 -1.0 2.0
   64    81   -82    65   3.62500 -1.0 2.0
   71    64    81    79   3.00000 -1.0 2.0
   71    64    81    82   3.00000 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75   -77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    64   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   1.52500 -1.0 2.0
   79    81    82    65   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.50000 -1.0 2.0
   81    64   -71    75   3.50000 -1.0 2.0
   81    82   -65    60   3.62500 -1.0 2.0
   81    82    65    39   3.62500 -1.0 2.0
   82    65    39    33  -0.01750  1.0 1.0
   82    65    39    33  -0.32000 -1.0 2.0
   82    65    39    33   0.00600  1.0 3.0
   82    65    39    42   0.11450  1.0 1.0
   82    65    39    42   1.85100 -1.0 2.0
   82    65    39    42  -0.49050  1.0 3.0
   83    82    65    60   1.40000 -1.0 2.0
   83    82    65    39   2.00000 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60   -64    81   3.50000 -1.0 2.0
   65    39    42    43   7.00000 -1.0 2.0
   65    39    42    47   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    42    47    52  -2.26850  1.0 1.0
   39    42    47    52   3.39050 -1.0 2.0
   42    47    52    53   0.08050  1.0 3.0
   42    47    52    54   0.08050  1.0 3.0
   42    47    52    55   0.08050  1.0 3.0
   43    42    47    52   2.00000 -1.0 2.0
   56    46    50    51   7.00000 -1.0 2.0
   56    46    50    60   7.00000 -1.0 2.0
   56    61    66    67   0.08050  1.0 3.0
   56    61    66    68   0.08050  1.0 3.0
   56    61    66    69   0.08050  1.0 3.0
   57    56    61    66   3.00000 -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
   40    41    38    33   4.00000 -1.0 2.0
   44    70    40    38   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   58    49    48    44   1.10000 -1.0 2.0
   62    59    58    48   1.10000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   62    73    70    40   4.00000 -1.0 2.0
   74    70    73    41   1.00000 -1.0 2.0
   73    46    41    38   4.00000 -1.0 2.0
   41    56    46    50   1.10000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   64    65    60    50   4.00000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   75    72    71    64   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -1.0 2.0
   83    81    82    65   1.00000 -1.0 2.0
   82    39    65    60   4.00000 -1.0 2.0
   33    65    39    42   1.10000 -1.0 2.0
   43    47    42    39   1.10000 -1.0 2.0
   46    61    56    57  10.50000 -1.0 2.0
END
