* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    151    221     437
    1     0 S   NP   _N1_     1    28.42272    96.34910   -23.03696
    2     1 S   H    _HN1     2     1.02799   103.84029   -80.65630
    3     1 S   H    _H1_     3     1.02952    73.12550    24.55315
    4     1 S   H    _H2_     4     1.02838    37.75592   178.01456
    5     1 S   CT   _CA1     5     1.50068   139.63283   126.59004
    6     5 S   HC   _HA1     6     1.09588   105.23057    90.07680
    7     5 S   CO3  _C1_     7     1.53736   112.34097   -30.02714
    8     7 S   O2Z  _O11     8     1.26318   115.09929   -49.77657
    9     7 S   O2Z  _O12     9     1.26247   114.90304   129.54497
   10     5 S   CT   _CB1    10     1.53100   107.41626  -152.26954
   11    10 S   HC   HB11    11     1.09826   109.19862   -52.87359
   12    10 S   HC   HB12    12     1.09813   110.54668    63.64744
   13    10 S   CT   _CG1    13     1.52965   112.58571  -174.02476
   14    13 S   HC   HG11    14     1.09531   110.38634   -65.67448
   15    13 S   HC   HG12    15     1.09655   109.97843    53.53364
   16    13 S   C    _CD1    16     1.51733   112.39612   173.90365
   17    16 S   O    _OE1    17     1.22711   123.27583    -0.66705
   18    16 S   N    _N2_    18     1.38556   111.63517   179.41785
   19    18 S   H    _HN2    19     1.01566   119.06166     2.43976
   20    18 S   CT1  _CA2    20     1.45962   122.95710   176.05921
   21    20 S   HC   _HA2    21     1.09632   110.35459     9.69475
   22    20 S   C    _C2_    22     1.52646   104.52259  -106.67426
   23    22 S   O    _O2_    23     1.22947   122.72453   -93.94945
   24    20 S   CT   _CB2    32     1.53136   111.45246   132.99366
   25    24 S   HC   HB21    33     1.09431   110.55076    47.46157
   26    24 S   HC   HB22    34     1.09371   109.42288   166.62152
   27    22 S   N    _N3_    24     1.38594   112.61504    82.28878
   28    27 S   H    _HN3    25     1.01680   119.70758     1.36027
   29    24 S   S    _SG2    35     1.82945   109.77098   -73.65571
   30    27 S   CT   _CA3    26     1.45348   122.62724  -178.68821
   31    30 S   HC   HA31    27     1.09560   106.96540   -72.81187
   32    30 S   HC   HA32    28     1.09549   108.66874    43.44159
   33    29 S   CT   _C11    36     1.86574   101.55679   176.37199
   34    33 S   OM   _O41    37     1.32393   109.02917   170.63981
   35    30 S   CO3  _C3_    29     1.52826   113.81616   165.00372
   36    35 S   O2Z  _O31    30     1.26361   115.69048   -34.83927
   37    35 S   O2Z  _O32    31     1.26384   114.80840   145.59686
   38    33 S   CA   _C12    38     1.56810   110.93727    53.09885
   39    33 S   CT   _C10    69     1.56878   107.00792   -76.56895
   40    39 S   HC   _H10    70     1.10174   110.39512  -179.23741
   41    39 S   HC   _H11    71     1.09662   111.40998    63.91782
   42    38 S   CA   _C13    39     1.44149   122.68224    60.44083
   43    39 S   CO4  _C9_    72     1.53654   118.16672   -59.52825
   44    43 S   O    _O35    73     1.23327   121.26129   -86.80274
   45    42 S   CA   _C14    40     1.41765   120.47237   178.00433
   46    45 S   HA   _H12    41     1.08860   119.43847   179.79158
   47    42 S   CT   _C18    50     1.52295   125.78238    -4.55496
   48    47 S   HC   _H16    51     1.09810   108.96028   142.01137
   49    47 S   HC   _H17    52     1.08907   113.03850    25.48218
   50    43 S   CT   _C8_    74     1.51468   117.98472    93.08399
   51    50 S   HC   _H8_    75     1.09466   107.33266  -104.32716
   52    50 S   HC   _H9_    76     1.09396   110.27304    14.01782
   53    45 S   CA   _C15    42     1.38410   121.25363     0.81229
   54    47 S   CO4  _C19    53     1.52444   113.33018   -98.54817
   55    54 S   O    _O38    54     1.23153   122.22660    -8.72810
   56    50 S   CO4  _C7_    77     1.51441   114.34930   134.54735
   57    56 S   O    _O34    78     1.23040   122.00793   -24.64271
   58    53 S   CA   _C16    43     1.37977   119.93648     0.46055
   59    58 S   HA   _H13    44     1.08694   119.29118   179.08893
   60    53 S   OH   _O37    48     1.36465   121.44849   179.73830
   61    60 S   HO   _H15    49     0.97246   108.51273    -0.46182
   62    54 S   CT   _C20    55     1.53200   115.21548   170.44290
   63    62 S   HC   _H18    56     1.09913   108.40521    44.61468
   64    62 S   HC   _H19    57     1.09822   107.15734   -69.58064
   65    56 S   CT   _C6_    79     1.51142   115.98567   158.43171
   66    65 S   HC   _H6_    80     1.09527   108.88018   -56.02657
   67    65 S   HC   _H7_    81     1.09410   108.69446    61.41271
   68    38 S   CA   _C17    45     1.42383   121.91530  -119.71866
   69    62 S   CMA  _C21    58     1.52721   112.48999   168.69145
   70    69 S   OM   _O40    59     1.26239   111.45264   -92.89975
   71    65 S   CO4  _C5_    82     1.50977   114.31857  -176.74737
   72    71 S   O    _O33    83     1.23101   121.44753    91.20770
   73    68 S   OH   _O36    46     1.37130   121.47679     2.77298
   74    73 S   HO   _H14    47     0.97155   109.82150  -179.16749
   75    69 S   CM   _C22    60     1.35176   115.99962    87.48694
   76    75 S   HC   _H20    61     1.08742   119.23411    -0.20842
   77    71 S   CT   _C4_    84     1.50595   117.11549   -86.45991
   78    77 S   HC   _H3_    85     1.09245   109.78536    62.36395
   79    77 S   HC   _H4_    86     1.09357   109.62944  -177.99748
   80    77 S   HC   _H5_    87     1.09259   109.69414   -58.80406
   81    75 S   CO4  _C23    62     1.49087   124.28183  -178.64188
   82    81 S   O    _O39    63     1.22193   125.23951    -3.03512
   83    81 S   S    _S1_    64     1.76370   112.26574   177.13324
   84    83 S   CT   _C24    65     1.80548   100.17713  -162.05991
   85    84 S   HC   _H21    66     1.09311   109.32361   178.43102
   86    84 S   HC   _H22    67     1.09338   110.43347    59.03318
   87    84 S   HC   _H23    68     1.09330   110.59321   -62.25713
  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
  14   7   2   1   1  17  10   4   3  13   7   4  11   4  10   4
   3   8   4   3   6   7   4   7   4   6   3   2   1   7   4   3
   8   4   3   2   6   3   5   4   1   1   5   3   3   2   1   1
   6   2   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    68    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    58    68    73    47    39    40    41    43    44    50  
   38    42    68    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    53    58    59    68    73    74    47    48    49    54    39    40    41    43  
   40    41    43    44    50    51    52    56    42    68  
   41    43    44    50  
   43    44    50  
   45    46    53    58    68    73    60    47    48    49    54    55    62  
   44    50    51    52    56    57    65  
   50    51    52    56  
   46    53    58    59    68    60    61    47    48    49    54  
   53    58    60    47  
   48    49    54    55    62    63    64    69    53    68  
   49    54    55    62  
   54    55    62  
   51    52    56    57    65    66    67    71  
   52    56    57    65  
   56    57    65  
   58    59    68    73    60    61  
   55    62    63    64    69    70    75  
   62    63    64    69  
   57    65    66    67    71    72    77  
   65    66    67    71  
   59    68    73    74    60    61  
   68    73    60  
   61    68  
    0  
   63    64    69    70    75    76    81  
   64    69    70    75  
   69    70    75  
   66    67    71    72    77    78    79    80  
   67    71    72    77  
   71    72    77  
   73    74  
   70    75    76    81    82    83  
   75    76    81  
   72    77    78    79    80  
   77    78    79    80  
   74  
    0  
   76    81    82    83    84  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   84   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    68   469.000  1.400
   42    45   469.000  1.400
   42    47   317.000  1.510
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    58   469.000  1.400
   53    60   450.000  1.364
   58    59   367.000  1.080
   58    68   469.000  1.400
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   270.000  1.512
   69    70   745.000  1.250
   69    75   465.000  1.376
   75    76   340.000  1.080
   75    81   320.000  1.462
   81    82   570.000  1.229
   81    83   210.000  1.799
   83    84   222.000  1.810
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.522
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    68    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    85.00000  111.85700
   38    42    45    63.00000  120.00000
   38    42    47    70.00000  120.00000
   38    68    58    63.00000  120.00000
   38    68    73    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    53    63.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    54    70.00000  110.93000
   45    53    58    63.00000  120.00000
   45    53    60    70.00000  120.00000
   53    45    46    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    68    63.00000  120.00000
   53    60    61    35.00000  113.00000
   58    68    73    70.00000  120.00000
   68    38    42    63.00000  120.00000
   68    58    59    35.00000  120.00000
   68    73    74    35.00000  113.00000
   60    53    58    70.00000  120.00000
   47    42    45    70.00000  120.00000
   47    54    55    80.00000  120.40000
   47    54    62    70.00000  116.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    69    70.00000  109.06800
   62    54    55    80.00000  120.40000
   62    69    70    85.00000  112.85300
   62    69    75    65.00000  122.18000
   64    62    63    33.00000  107.80000
   69    62    63    45.00000  110.52000
   69    62    64    45.00000  110.52000
   69    75    76    40.00000  120.50800
   69    75    81    60.00000  125.92000
   75    69    70    65.00000  137.10300
   75    81    82    80.00000  123.72100
   75    81    83    65.00000  119.00000
   81    75    76    40.00000  117.72500
   81    83    84    90.00000   96.72000
   83    81    82    80.00000  121.30200
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    50    70.00000  116.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    56    75.00000  107.99600
   50    43    44    80.00000  120.40000
   50    56    57    80.00000  120.40000
   50    56    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    71    75.00000  107.99600
   65    56    57    80.00000  120.40000
   65    71    72    80.00000  120.40000
   65    71    77    70.00000  116.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   77    71    72    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    68  -0.16000  1.0 1.0
   29    33    38    68  -0.03200 -1.0 2.0
   29    33    38    68   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    68    58   3.62500 -1.0 2.0
   33    38    68    73   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    50   0.60050  1.0 1.0
   33    39    43    50   0.05600 -1.0 2.0
   33    39    43    50   0.26150  1.0 3.0
   34    33    38    42   0.64500  1.0 1.0
   34    33    38    42   0.14800 -1.0 2.0
   34    33    38    42   0.20650  1.0 3.0
   34    33    38    68   0.64500  1.0 1.0
   34    33    38    68   0.14800 -1.0 2.0
   34    33    38    68   0.20650  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.23400  1.0 3.0
   34    33    39    43  -0.09450  1.0 1.0
   34    33    39    43  -1.12950 -1.0 2.0
   34    33    39    43   0.54000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    53   3.62500 -1.0 2.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    54   0.04300 -1.0 2.0
   38    68    73    74   0.84100 -1.0 2.0
   42    38    68    58   3.62500 -1.0 2.0
   42    38    68    73   3.62500 -1.0 2.0
   42    45   -53    58   3.62500 -1.0 2.0
   42    45    53    60   3.62500 -1.0 2.0
   42    47    54    55   0.30150 -1.0 2.0
   42    47    54    62   0.65300  1.0 1.0
   42    47    54    62  -0.03850 -1.0 2.0
   42    47    54    62   0.33900  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    54   0.04300 -1.0 2.0
   45    53    58    59   3.62500 -1.0 2.0
   45    53    58    68   3.62500 -1.0 2.0
   45    53    60    61   0.84100 -1.0 2.0
   46    45    53    58   3.62500 -1.0 2.0
   46    45    53    60   3.62500 -1.0 2.0
   53    58   -68    38   3.62500 -1.0 2.0
   53    58    68    73   3.62500 -1.0 2.0
   58    53    60    61   0.84100 -1.0 2.0
   58    68    73    74   0.84100 -1.0 2.0
   59    58    68    38   3.62500 -1.0 2.0
   59    58    68    73   3.62500 -1.0 2.0
   68    38   -42    45   3.62500 -1.0 2.0
   68    38    42    47   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    53    58    68   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    53   3.62500 -1.0 2.0
   47    54    62    63   0.00000  1.0 1.0
   47    54    62    64   0.00000  1.0 1.0
   47    54    62    69   0.65300  1.0 1.0
   47    54    62    69  -0.03850 -1.0 2.0
   47    54    62    69   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    62   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    62   0.00000  1.0 1.0
   54    62    69    70   0.09700  1.0 1.0
   54    62    69    70   0.15600 -1.0 2.0
   54    62    69    70  -0.50800  1.0 3.0
   54    62    69    75  -0.51250  1.0 1.0
   54    62    69    75  -0.88800 -1.0 2.0
   54    62    69    75   0.08850  1.0 3.0
   55    54    62    63   0.00000  1.0 1.0
   55    54    62    64   0.00000  1.0 1.0
   55    54    62    69   0.30150 -1.0 2.0
   62    69    75    76   7.00000 -1.0 2.0
   62    69    75    81   7.00000 -1.0 2.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    75   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   64    62    69    75   0.00000  1.0 1.0
   69    75    81    82   1.00000 -1.0 2.0
   69    75    81    83   0.50400  1.0 1.0
   69    75    81    83   1.60000 -1.0 2.0
   69    75    81    83  -0.01800  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    81   7.00000 -1.0 2.0
   75    81    83    84  -0.11550  1.0 1.0
   75    81    83    84   1.88700 -1.0 2.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.92800 -1.0 2.0
   81    83    84    85   0.24000  1.0 3.0
   81    83    84    86   0.24000  1.0 3.0
   81    83    84    87   0.24000  1.0 3.0
   82    81    83    84  -0.11550  1.0 1.0
   82    81    83    84   1.88700 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    68   0.04150 -1.0 2.0
   39    43    50    51   0.00000  1.0 1.0
   39    43    50    52   0.00000  1.0 1.0
   39    43    50    56   0.65300  1.0 1.0
   39    43    50    56  -0.03850 -1.0 2.0
   39    43    50    56   0.33900  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    50   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    50   0.00000  1.0 1.0
   43    50    56    57   0.30150 -1.0 2.0
   43    50    56    65   0.65300  1.0 1.0
   43    50    56    65  -0.03850 -1.0 2.0
   43    50    56    65   0.33900  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   44    43    50    56   0.30150 -1.0 2.0
   50    56    65    66   0.00000  1.0 1.0
   50    56    65    67   0.00000  1.0 1.0
   50    56    65    71   0.65300  1.0 1.0
   50    56    65    71  -0.03850 -1.0 2.0
   50    56    65    71   0.33900  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    65   0.00000  1.0 1.0
   52    50    56    57   0.00000  1.0 1.0
   52    50    56    65   0.00000  1.0 1.0
   56    65    71    72   0.30150 -1.0 2.0
   56    65    71    77   0.65300  1.0 1.0
   56    65    71    77  -0.03850 -1.0 2.0
   56    65    71    77   0.33900  1.0 3.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    71   0.30150 -1.0 2.0
   65    71    77    78   0.00000  1.0 1.0
   65    71    77    79   0.00000  1.0 1.0
   65    71    77    80   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    77   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    77   0.00000  1.0 1.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    80   0.00000  1.0 1.0
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
   42    68    38    33   4.00000 -1.0 2.0
   45    47    42    38   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   58    60    53    45   4.00000 -1.0 2.0
   68    59    58    53   1.10000 -1.0 2.0
   58    73    68    38   4.00000 -1.0 2.0
   47    62    54    55  10.50000 -1.0 2.0
   62    70    69    75  15.00000 -1.0 2.0
   81    76    75    69  15.00000 -1.0 2.0
   75    83    81    82  10.50000 -1.0 2.0
   39    50    43    44  10.50000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   65    77    71    72  10.50000 -1.0 2.0
END
