* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    254     474
    1     0 S   NP   _N1_     1    28.82295    95.66807   -20.92332
    2     1 S   H    _HN1     2     1.02796    88.48161   -87.45866
    3     1 S   H    _H1_     3     1.02949    81.56468    21.32431
    4     1 S   H    _H2_     4     1.02842    39.39092   151.56935
    5     1 S   CT   _CA1     5     1.50031   149.58463   137.93095
    6     5 S   HC   _HA1     6     1.09562   105.28044    68.32431
    7     5 S   CO3  _C1_     7     1.53742   112.81523   -52.13316
    8     7 S   O2Z  _O11     8     1.26367   115.11927   -37.51354
    9     7 S   O2Z  _O12     9     1.26275   115.09176   142.55557
   10     5 S   CT   _CB1    10     1.53153   107.54986  -173.39817
   11    10 S   HC   HB11    11     1.09819   109.52963   -49.16146
   12    10 S   HC   HB12    12     1.09820   110.36316    67.54152
   13    10 S   CT   _CG1    13     1.52937   112.49178  -170.15122
   14    13 S   HC   HG11    14     1.09565   110.60239   -63.88609
   15    13 S   HC   HG12    15     1.09668   109.81496    55.32633
   16    13 S   C    _CD1    16     1.51690   112.58856   176.06080
   17    16 S   O    _OE1    17     1.22667   123.40499     4.79926
   18    16 S   N    _N2_    18     1.38542   111.29258  -175.79160
   19    18 S   H    _HN2    19     1.01591   118.96662     2.45144
   20    18 S   CT1  _CA2    20     1.46225   123.72819   179.39802
   21    20 S   HC   _HA2    21     1.09726   109.49516    -5.38350
   22    20 S   C    _C2_    22     1.53483   108.45130  -120.86622
   23    22 S   O    _O2_    23     1.23017   122.41634  -149.73168
   24    20 S   CT   _CB2    32     1.53236   110.76836   116.87713
   25    24 S   HC   HB21    33     1.09452   109.39472    52.28982
   26    24 S   HC   HB22    34     1.09493   110.84897   170.88148
   27    22 S   N    _N3_    24     1.38374   113.52238    37.86700
   28    27 S   H    _HN3    25     1.01610   119.48777    -3.40278
   29    24 S   S    _SG2    35     1.83319   111.02524   -70.32637
   30    27 S   CT   _CA3    26     1.45278   123.21743   177.09937
   31    30 S   HC   HA31    27     1.09548   107.49777   -64.93304
   32    30 S   HC   HA32    28     1.09555   108.00939    51.51865
   33    29 S   CT   _C11    36     1.84754   101.32807   143.54709
   34    33 S   HC   _H4_    37     1.09290   104.00747   165.07872
   35    30 S   CO3  _C3_    29     1.52953   114.04819   173.50584
   36    35 S   O2Z  _O31    30     1.26380   116.03834    -1.27180
   37    35 S   O2Z  _O32    31     1.26424   114.42461   178.79797
   38    33 S   CM   _C10    38     1.51515   111.52779    51.12021
   39    38 S   CMA  _C9_    39     1.35343   124.11426  -124.88982
   40    39 S   OM   _O36    40     1.26283   130.71017   176.98143
   41    38 S   OS   _O35    79     1.39224   115.47428    52.59333
   42    39 S   CT   _C8_    41     1.52571   118.00660    -3.27273
   43    42 S   HC   _H14    42     1.10283   106.62119    91.80487
   44    42 S   HC   _H15    43     1.09618   112.15739  -155.41446
   45    41 S   CT   _C22    80     1.42609   110.86006    84.83531
   46    45 S   HC   _H24    81     1.09398   107.84927   173.65378
   47    45 S   HC   _H25    82     1.09549   111.51571    55.13035
   48    45 S   HC   _H26    83     1.09447   111.06667   -68.25524
   49    42 S   CT   _C7_    44     1.56238   114.84311   -28.49460
   50    49 S   CA   _C16    45     1.54584   116.51244   -64.86399
   51    49 S   CT   _C6_    72     1.55461   108.05603   173.89979
   52    51 S   HC   _H12    73     1.09741   110.64890    67.91879
   53    51 S   HC   _H13    74     1.09884   109.32002   -48.41348
   54    50 S   CA   _C15    46     1.41605   119.35408   146.35343
   55    54 S   CA   _C20    47     1.40660   120.33035  -178.79601
   56    55 S   HA   _H19    48     1.08838   119.96614   178.68791
   57    54 S   CT   _C14    60     1.51401   123.00300     1.32042
   58    57 S   HC   _H16    61     1.09462   109.01181   128.33541
   59    57 S   HC   _H17    62     1.09831   107.05184  -117.78111
   60    55 S   CA   _C19    49     1.39181   121.27936    -1.74697
   61    60 S   HA   _H18    50     1.08493   118.07905  -179.94405
   62    57 S   CT   _C13    63     1.53350   115.28920     2.40306
   63    62 S   HC   _H6_    64     1.09605   109.68160  -157.26333
   64    60 S   CA   _C18    51     1.38956   119.60758    -1.26486
   65    33 S   CT   _C12    65     1.55975   109.88780   -78.31368
   66    65 S   HC   _H5_    66     1.10072   108.20451    40.89758
   67    62 S   NP   _N4_    67     1.53319   112.23716    86.84423
   68    67 S   H    _H3_    68     1.02951   105.30726  -179.84934
   69    50 S   CA   _C17    52     1.41014   123.69013   -37.17544
   70    64 S   OS   _O33    55     1.37238   125.21693  -177.95790
   71    67 S   CT   _C5_    69     1.50678   114.91163   -64.12108
   72    71 S   HC   _H10    70     1.09568   107.21636  -172.14687
   73    71 S   HC   _H11    71     1.09424   108.30057    71.13127
   74    67 S   CT   _C4_    75     1.50696   113.92891    66.68460
   75    74 S   HC   _H7_    76     1.09180   109.32075   -72.69696
   76    74 S   HC   _H8_    77     1.09245   108.19349    48.68629
   77    74 S   HC   _H9_    78     1.09269   107.71387   167.80086
   78    69 S   OH   _O34    53     1.37123   119.96707    -3.39869
   79    78 S   HO   _H23    54     0.97352   107.88830   176.41220
   80    70 S   CT   _C21    56     1.42271   117.02180    -1.94159
   81    80 S   HC   _H20    57     1.09427   107.73557  -179.04019
   82    80 S   HC   _H21    58     1.09494   111.10138    63.24694
   83    80 S   HC   _H22    59     1.09500   111.16604   -61.28251
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  14  10   5   6  13   5   4   3   2   1   1
  18  19  13   6   5  14  10   4  12   5   4   6   3  12   6   8
   6   1   8   7   4   5   6   2   1   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    62    65    66    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    57    62    63    65    66    67    51    41    45  
   38    39    49    62    65    66    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    62    65    66    41    45    46    47    48  
   40    42    43    44    49    50    65    51    41    45  
   42    43    44    49    41  
   45    46    47    48    42    65  
   43    44    49    50    54    69    62    65    66    71    51    52    53  
   44    49    50    65    51  
   49    50    65    51  
   46    47    48  
   47    48  
   48  
    0  
   50    54    55    64    69    78    57    62    63    65    66    67    71    72    73    51    52    53  
   54    55    56    60    64    69    78    79    70    57    58    59    62    65    66    71    51    52    53  
   52    53    74    54    62    65    66    67    68    69    71    72    73  
   53    65    67    71    72    73  
   65    67    71    72    73  
   55    56    60    61    64    69    78    57    58    59    62    63    65    67  
   56    60    61    64    69    70    57    58    59    62  
   60    61    64    57  
   58    59    62    63    65    66    67    68    71    74    60    69  
   59    62    63    65    67  
   62    63    65    67  
   61    64    69    78    70    80  
   64    69    70  
   63    65    66    67    68    71    72    73    74    75    76    77  
   65    66    67    68    71    74  
   69    78    79    70    80    81    82    83  
   66    67    68    71    74    69  
   67  
   68    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   78    79    70    80  
   80    81    82    83    78  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    65   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   317.000  1.510
   49    65   268.000  1.529
   49    51   268.000  1.529
   50    54   469.000  1.400
   50    69   469.000  1.400
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    69   469.000  1.400
   64    70   450.000  1.364
   69    78   450.000  1.364
   78    79   553.000  0.945
   70    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    67   367.000  1.471
   65    66   340.000  1.090
   67    68   434.000  1.010
   67    71   367.000  1.471
   67    74   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    65    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    65    49    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    66    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    70.00000  112.17500
   42    49    65    58.35000  112.70000
   42    49    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    50    54    70.00000  120.00000
   49    50    69    70.00000  120.00000
   49    65    62    58.35000  112.70000
   49    65    66    37.50000  110.70000
   49    51    71    58.35000  112.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   50    54    55    63.00000  120.00000
   50    54    57    70.00000  120.00000
   50    69    64    63.00000  120.00000
   50    69    78    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.17500
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    69    63.00000  120.00000
   60    64    70    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    69    78    70.00000  120.00000
   64    70    80    75.00000  111.00000
   69    50    54    63.00000  120.00000
   69    78    79    35.00000  113.00000
   70    64    69    70.00000  120.00000
   70    80    81    35.00000  109.50000
   70    80    82    35.00000  109.50000
   70    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   57    62    67    80.00000  111.20000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    67    68    35.00000  109.50000
   62    67    71    75.00000  113.01200
   62    67    74    75.00000  113.01200
   65    33    34    37.50000  110.70000
   65    33    38    70.00000  112.02700
   65    49    50    70.00000  112.17500
   65    62    63    37.50000  110.70000
   67    62    63    35.00000  109.50000
   67    62    65    80.00000  111.20000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    51    80.00000  111.20000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   71    67    68    35.00000  109.50000
   71    51    52    37.50000  110.70000
   71    51    53    37.50000  110.70000
   73    71    72    33.00000  107.80000
   51    49    50    70.00000  112.17500
   51    49    65    58.35000  112.70000
   51    71    72    37.50000  110.70000
   51    71    73    37.50000  110.70000
   53    51    52    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    71    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    65    49   0.44750  1.0 1.0
   29    33    65    49  -0.17800 -1.0 2.0
   29    33    65    49   0.20200  1.0 3.0
   29    33    65    62   0.44750  1.0 1.0
   29    33    65    62  -0.17800 -1.0 2.0
   29    33    65    62   0.20200  1.0 3.0
   29    33    65    66   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    65    49   0.15000  1.0 3.0
   34    33    65    62   0.15000  1.0 3.0
   34    33    65    66   0.15000  1.0 3.0
   38    33    65    49   0.34400  1.0 1.0
   38    33    65    49   0.09450 -1.0 2.0
   38    33    65    49   0.11100  1.0 3.0
   38    33    65    62   0.34400  1.0 1.0
   38    33    65    62   0.09450 -1.0 2.0
   38    33    65    62   0.11100  1.0 3.0
   38    33    65    66   0.15000  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.21200  1.0 1.0
   39    42    49    50   0.16900 -1.0 2.0
   39    42    49    50  -1.15100  1.0 3.0
   39    42    49    65   0.34400  1.0 1.0
   39    42    49    65   0.09450 -1.0 2.0
   39    42    49    65   0.11100  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    50    54   0.04150 -1.0 2.0
   42    49    50    69   0.04150 -1.0 2.0
   42    49   -65    33   0.56750  1.0 1.0
   42    49   -65    33  -0.07550 -1.0 2.0
   42    49   -65    33   0.20000  1.0 3.0
   42    49    65    62   0.56750  1.0 1.0
   42    49    65    62  -0.07550 -1.0 2.0
   42    49    65    62   0.20000  1.0 3.0
   42    49    65    66   0.15000  1.0 3.0
   42    49    51    71   0.56750  1.0 1.0
   42    49    51    71  -0.07550 -1.0 2.0
   42    49    51    71   0.20000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   43    42    49    50   0.43200  1.0 3.0
   43    42    49    65   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   44    42    49    50   0.43200  1.0 3.0
   44    42    49    65   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    57   3.62500 -1.0 2.0
   49    50    69    64   3.62500 -1.0 2.0
   49    50    69    78   3.62500 -1.0 2.0
   50    49    65    33  -0.03700  1.0 1.0
   50    49    65    33   0.37200 -1.0 2.0
   50    49    65    33  -0.47300  1.0 3.0
   50    49    65    62  -0.03700  1.0 1.0
   50    49    65    62   0.37200 -1.0 2.0
   50    49    65    62  -0.47300  1.0 3.0
   50    49    65    66   0.43200  1.0 3.0
   50    49    51    71  -0.03700  1.0 1.0
   50    49    51    71   0.37200 -1.0 2.0
   50    49    51    71  -0.47300  1.0 3.0
   50    49    51    52   0.43200  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54   -57    62   0.04150 -1.0 2.0
   50    69    78    79   0.84100 -1.0 2.0
   54    50    69    64   3.62500 -1.0 2.0
   54    50    69    78   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    64   3.62500 -1.0 2.0
   54    57    62    63   0.43200  1.0 3.0
   54    57    62    65  -0.03700  1.0 1.0
   54    57    62    65   0.37200 -1.0 2.0
   54    57    62    65  -0.47300  1.0 3.0
   54    57    62    67   1.24050  1.0 1.0
   54    57    62    67   0.48100 -1.0 2.0
   54    57    62    67   1.08150  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.04150 -1.0 2.0
   55    60    64    69   3.62500 -1.0 2.0
   55    60    64    70   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64   -69    50   3.62500 -1.0 2.0
   60    64    69    78   3.62500 -1.0 2.0
   60    64    70    80   1.63200 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   61    60    64    70   3.62500 -1.0 2.0
   64    69    78    79   0.84100 -1.0 2.0
   64    70    80    81   0.08050  1.0 3.0
   64    70    80    82   0.08050  1.0 3.0
   64    70    80    83   0.08050  1.0 3.0
   69    50   -54    55   3.62500 -1.0 2.0
   69    50    54    57   3.62500 -1.0 2.0
   69    64    70    80   1.63200 -1.0 2.0
   70    64    69    50   3.62500 -1.0 2.0
   70    64    69    78   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    65    33   0.56750  1.0 1.0
   57    62    65    33  -0.07550 -1.0 2.0
   57    62    65    33   0.20000  1.0 3.0
   57    62   -65    49   0.56750  1.0 1.0
   57    62   -65    49  -0.07550 -1.0 2.0
   57    62   -65    49   0.20000  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    67    68   0.17350  1.0 3.0
   57    62    67    71   0.47100  1.0 1.0
   57    62    67    74   0.47100  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    67   0.19200  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    67   0.19200  1.0 3.0
   62    67    71    72   0.15000  1.0 3.0
   62    67    71    73   0.15000  1.0 3.0
   62    67    71    51   0.47100  1.0 1.0
   62    67    74    75   0.15000  1.0 3.0
   62    67    74    76   0.15000  1.0 3.0
   62    67    74    77   0.15000  1.0 3.0
   63    62    65    33   0.15000  1.0 3.0
   63    62    65    49   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    67    68   0.13050  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   65    33   -38    39   0.09850  1.0 1.0
   65    33   -38    39   0.15250 -1.0 2.0
   65    33   -38    39  -0.50650  1.0 3.0
   65    33    38    41   0.09700  1.0 1.0
   65    33    38    41   0.15600 -1.0 2.0
   65    33    38    41  -0.50800  1.0 3.0
   65    49   -50    54   0.04150 -1.0 2.0
   65    49    50    69   0.04150 -1.0 2.0
   65    49    51    71   0.56750  1.0 1.0
   65    49    51    71  -0.07550 -1.0 2.0
   65    49    51    71   0.20000  1.0 3.0
   65    49    51    52   0.15000  1.0 3.0
   65    49    51    53   0.15000  1.0 3.0
   65    62    67    68   0.17350  1.0 3.0
   65    62   -67    71   0.47100  1.0 1.0
   65    62    67    74   0.47100  1.0 1.0
   67    62    65    33   1.36600  1.0 1.0
   67    62    65    33  -0.11450 -1.0 2.0
   67    62    65    33   0.24250  1.0 3.0
   67    62    65    49   1.36600  1.0 1.0
   67    62    65    49  -0.11450 -1.0 2.0
   67    62    65    49   0.24250  1.0 3.0
   67    62    65    66   0.19200  1.0 3.0
   67    71   -51    49   1.36600  1.0 1.0
   67    71   -51    49  -0.11450 -1.0 2.0
   67    71   -51    49   0.24250  1.0 3.0
   67    71    51    52   0.19200  1.0 3.0
   67    71    51    53   0.19200  1.0 3.0
   68    67    71    72   0.13050  1.0 3.0
   68    67    71    73   0.13050  1.0 3.0
   68    67    71    51   0.17350  1.0 3.0
   68    67    74    75   0.13050  1.0 3.0
   68    67    74    76   0.13050  1.0 3.0
   68    67    74    77   0.13050  1.0 3.0
   71    67    74    75   0.15000  1.0 3.0
   71    67    74    76   0.15000  1.0 3.0
   71    67    74    77   0.15000  1.0 3.0
   72    71    51    49   0.15000  1.0 3.0
   72    71    51    52   0.15000  1.0 3.0
   72    71    51    53   0.15000  1.0 3.0
   73    71    51    49   0.15000  1.0 3.0
   73    71    51    52   0.15000  1.0 3.0
   73    71    51    53   0.15000  1.0 3.0
   51    49    50    54   0.04150 -1.0 2.0
   51    49    50    69   0.04150 -1.0 2.0
   51    49    65    33   0.56750  1.0 1.0
   51    49    65    33  -0.07550 -1.0 2.0
   51    49    65    33   0.20000  1.0 3.0
   51    49   -65    62   0.56750  1.0 1.0
   51    49   -65    62  -0.07550 -1.0 2.0
   51    49   -65    62   0.20000  1.0 3.0
   51    49    65    66   0.15000  1.0 3.0
   74    67    71    72   0.15000  1.0 3.0
   74    67    71    73   0.15000  1.0 3.0
   74    67    71    51   0.47100  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   54    69    50    49   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   69    70    64    60   4.00000 -1.0 2.0
   64    78    69    50   4.00000 -1.0 2.0
END
