* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    160    240     465
    1     0 S   NP   _N1_     1    29.24327    92.90151   -25.70807
    2     1 S   H    _HN1     2     1.02954    92.98013    -5.13183
    3     1 S   H    _H1_     3     1.02841    14.72944  -167.27012
    4     1 S   H    _H2_     4     1.02777   117.94387  -117.79092
    5     1 S   CT   _CA1     5     1.50143   112.94704   108.49981
    6     5 S   HC   _HA1     6     1.09574   105.17784    74.70136
    7     5 S   CO3  _C1_     7     1.53776   112.51375   -45.37860
    8     7 S   O2Z  _O11     8     1.26359   114.99602   -39.47801
    9     7 S   O2Z  _O12     9     1.26228   114.97278   139.69177
   10     5 S   CT   _CB1    10     1.53094   107.41643  -167.37428
   11    10 S   HC   HB11    11     1.09836   109.33242   -50.41084
   12    10 S   HC   HB12    12     1.09740   110.37016    66.00630
   13    10 S   CT   _CG1    13     1.53022   112.75733  -171.40175
   14    13 S   HC   HG11    14     1.09575   110.66275   -66.11970
   15    13 S   HC   HG12    15     1.09654   109.75463    53.13872
   16    13 S   C    _CD1    16     1.51768   112.19706   173.79942
   17    16 S   O    _OE1    17     1.22814   123.22785    10.57838
   18    16 S   N    _N2_    18     1.38722   111.87564  -170.15480
   19    18 S   H    _HN2    19     1.01582   119.20269     3.79024
   20    18 S   CT1  _CA2    20     1.45740   122.46573   177.72256
   21    20 S   HC   _HA2    21     1.09521   109.41537    26.68669
   22    20 S   C    _C2_    22     1.52690   104.99635   -90.79539
   23    22 S   O    _O2_    23     1.22966   122.53964   -80.50301
   24    20 S   CT   _CB2    32     1.53135   112.51790   149.61322
   25    24 S   HC   HB21    33     1.09577   111.23199    50.21529
   26    24 S   HC   HB22    34     1.09400   109.48614   168.57650
   27    22 S   N    _N3_    24     1.38390   112.83104    95.51774
   28    27 S   H    _HN3    25     1.01618   120.08140    -2.08572
   29    24 S   S    _SG2    35     1.82673   110.80945   -69.58214
   30    27 S   CT   _CA3    26     1.45315   122.74099  -178.76267
   31    30 S   HC   HA31    27     1.09559   107.92338   -53.08984
   32    30 S   HC   HA32    28     1.09555   107.52783    63.29409
   33    29 S   CT   _C20    36     1.84044   100.40440  -141.19951
   34    33 S   HC   _H7_    37     1.09703   106.70369   -44.14277
   35    30 S   CO3  _C3_    29     1.52918   114.19684  -175.20482
   36    35 S   O2Z  _O31    30     1.26371   116.04986    -1.89610
   37    35 S   O2Z  _O32    31     1.26400   114.46833   178.13785
   38    33 S   CT   _C21    38     1.53093   107.45896  -158.56420
   39    38 S   HC   _H27    39     1.09484   112.46808   -62.27157
   40    38 S   HC   _H28    40     1.09457   111.10041   176.75659
   41    38 S   HC   _H29    41     1.09657   110.95261    58.45089
   42    33 S   CT   _C18    42     1.54729   112.48239    74.74121
   43    42 S   HC   _H6_    43     1.09840   109.18935   -59.72345
   44    42 S   CO4  _C17    44     1.52515   112.82085    59.22438
   45    44 S   O    _O36    45     1.22398   124.81998    74.22170
   46    42 S   CT   _C19    82     1.53403   112.21547  -177.43822
   47    46 S   HC   _H24    83     1.09489   110.65765    46.96977
   48    46 S   HC   _H25    84     1.09463   112.28321   -74.96203
   49    44 S   OS   _O35    46     1.36514   109.72969  -105.82620
   50    46 S   OH   _O37    85     1.42440   109.16572   165.31457
   51    50 S   HO   _H26    86     0.97269   107.05892  -179.81233
   52    49 S   CT   _C16    47     1.43582   115.73463   179.84174
   53    52 S   HC   _H22    48     1.09572   108.89127   -56.98690
   54    52 S   HC   _H23    49     1.09579   109.00174    62.36588
   55    52 S   CM   _C13    50     1.49342   110.33448  -177.38454
   56    55 S   CM   _C14    51     1.34093   128.71463    -2.66117
   57    56 S   HC   _H19    52     1.08013   125.05963    -0.62181
   58    56 S   CT   _C15    53     1.49195   112.21017   179.09172
   59    58 S   HC   _H20    54     1.09343   111.94733   119.72918
   60    58 S   HC   _H21    55     1.09327   111.70949  -115.65297
   61    58 S   NP   _N4_    56     1.51172   105.87804     3.34662
   62    61 S   H    _H4_    57     1.02900   108.56624   111.86637
   63    61 S   CT   _C11    58     1.50430   117.20852  -124.23085
   64    63 S   HC   _H17    59     1.09483   108.89492    22.25690
   65    63 S   HC   _H18    60     1.09296   108.49600   -98.17278
   66    63 S   CT   _C10    61     1.51881   103.28283   140.87464
   67    66 S   HC   _H15    62     1.09636   110.17445    78.19882
   68    66 S   HC   _H16    63     1.09366   110.86193  -161.41849
   69    66 S   CT   _C9_    64     1.52549   103.08561   -39.59522
   70    69 S   HC   _H3_    65     1.09607   112.73691   161.67074
   71    55 S   CT   _C12    66     1.50001   120.87359   177.76402
   72    71 S   HC   _H5_    67     1.09663   111.43248    64.72367
   73    69 S   OS   _O34    68     1.44041   109.89501   -75.37858
   74    73 S   CO4  _C8_    69     1.35879   116.59734   -82.96735
   75    74 S   O    _O33    70     1.22097   127.02037     1.86488
   76    74 S   CM   _C6_    71     1.48080   108.52582  -177.59417
   77    76 S   CM   _C5_    72     1.34368   120.27707  -126.55529
   78    77 S   HC   _H11    73     1.08930   117.87387  -178.19214
   79    76 S   CT   _C7_    78     1.49758   116.59453    55.11852
   80    79 S   HC   _H12    79     1.09395   110.62367   -63.85442
   81    79 S   HC   _H13    80     1.09502   110.33506    56.02683
   82    79 S   HC   _H14    81     1.09505   112.00785   175.98136
   83    77 S   CT   _C4_    74     1.49561   128.04219     3.30938
   84    83 S   HC   _H8_    75     1.09411   109.86250  -114.22029
   85    83 S   HC   _H9_    76     1.09481   109.43906   127.19661
   86    83 S   HC   _H10    77     1.09252   113.55217     7.45598
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1  10   7  10   3   5   3   2
   6   1   1  10   4   3  14  10   5  11   5   4  12   7  10   6
   5   8   5   4   7   4   3   1   5   9   3  10   9   5   4   2
   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    52    46    47    48    50    51  
   44    45    49    46    47    48    50  
   45    49    52    53    54    55    46    47    48    50  
   49    52    46  
   47    48    50    51    49  
   48    50    51  
   50    51  
   52    53    54    55    56    71  
   51  
    0  
   53    54    55    56    57    58    61    69    71    72  
   54    55    56    71  
   55    56    71  
   56    57    58    59    60    61    62    63    66    69    70    71    72    73  
   57    58    59    60    61    62    63    69    71    72  
   58    59    60    61    71  
   59    60    61    62    63    64    65    66    69    71    72  
   60    61    62    63    71  
   61    62    63    71  
   62    63    64    65    66    67    68    69    70    71    72    73  
   63    64    65    66    69    71    72  
   64    65    66    67    68    69    70    71    72    73  
   65    66    67    68    69    71  
   66    67    68    69    71  
   67    68    69    70    71    72    73    74  
   68    69    70    71    73  
   69    70    71    73  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74  
   73  
   74    75    76    77    79  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   1.4250   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   62   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   549.000  1.340
   55    71   317.000  1.510
   56    57   340.000  1.080
   56    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   367.000  1.471
   61    62   434.000  1.010
   61    63   367.000  1.471
   61    71   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    52    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    85.00000  110.90400
   52    55    56    70.00000  124.00000
   52    55    71    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    58    70.00000  124.00000
   55    71    61    75.00000  110.06800
   55    71    69    70.00000  112.02700
   55    71    72    35.00000  109.50000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    75.00000  110.06800
   58    56    57    35.00000  117.00000
   58    61    62    35.00000  109.50000
   58    61    63    75.00000  113.01200
   58    61    71    75.00000  113.01200
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    80.00000  111.20000
   61    71    69    80.00000  111.20000
   61    71    72    35.00000  109.50000
   63    61    62    35.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    73    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    73    74    83.00000  116.90000
   71    55    56    70.00000  124.00000
   71    61    62    35.00000  109.50000
   71    61    63    75.00000  113.01200
   71    69    70    37.50000  110.70000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    79    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    83    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    51    55.00000  108.50000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.86500  1.0 1.0
   33    42    46    50  -0.17500 -1.0 2.0
   33    42    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    52   1.63150  1.0 1.0
   42    44    49    52   2.92000 -1.0 2.0
   42    46    50    51  -0.11600  1.0 1.0
   42    46    50    51  -0.09450 -1.0 2.0
   42    46    50    51   0.21250  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54   0.08050  1.0 3.0
   44    49    52    55  -0.82050  1.0 1.0
   44    49    52    55   0.00600 -1.0 2.0
   44    49    52    55   0.04400  1.0 3.0
   45    44    49    52   3.00000 -1.0 2.0
   49    52    55    56   0.39000  1.0 1.0
   49    52    55    56  -0.05800 -1.0 2.0
   49    52    55    56  -0.55150  1.0 3.0
   49    52    55    71   0.09700  1.0 1.0
   49    52    55    71   0.15600 -1.0 2.0
   49    52    55    71  -0.50800  1.0 3.0
   52    55    56    57   7.00000 -1.0 2.0
   52    55    56    58   7.00000 -1.0 2.0
   52    55    71    61   0.52100  1.0 1.0
   52    55    71    61  -0.20350 -1.0 2.0
   52    55    71    61   0.29750  1.0 3.0
   52    55    71    69   0.46850  1.0 1.0
   52    55    71    69   0.08550 -1.0 2.0
   52    55    71    69   0.09800  1.0 3.0
   52    55    71    72   0.34800  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    71   0.34800  1.0 3.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    71   0.34800  1.0 3.0
   55    56    58    59   0.00000  1.0 1.0
   55    56    58    60   0.00000  1.0 1.0
   55    56   -58    61   0.80850  1.0 1.0
   55    56   -58    61  -0.47300 -1.0 2.0
   55    56   -58    61  -0.52300  1.0 3.0
   56    55   -71    61   0.80850  1.0 1.0
   56    55   -71    61  -0.47300 -1.0 2.0
   56    55   -71    61  -0.52300  1.0 3.0
   56    55    71    69   0.09850  1.0 1.0
   56    55    71    69   0.15250 -1.0 2.0
   56    55    71    69  -0.50650  1.0 3.0
   56    55    71    72   0.00000  1.0 1.0
   56    58    61    62   0.17350  1.0 3.0
   56    58    61    63   0.08000 -1.0 2.0
   56    58   -61    71   0.08000 -1.0 2.0
   57    56    58    59   0.33100  1.0 3.0
   57    56    58    60   0.33100  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.15000  1.0 3.0
   58    61    63    66   0.47100  1.0 1.0
   58    61   -71    55   0.08000 -1.0 2.0
   58    61    71    69   0.47100  1.0 1.0
   58    61    71    72   0.15000  1.0 3.0
   59    58    61    62   0.13050  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    71   0.15000  1.0 3.0
   60    58    61    62   0.13050  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    71   0.15000  1.0 3.0
   61    63    66    67   0.19200  1.0 3.0
   61    63    66    68   0.19200  1.0 3.0
   61    63   -66    69   1.36600  1.0 1.0
   61    63   -66    69  -0.11450 -1.0 2.0
   61    63   -66    69   0.24250  1.0 3.0
   62    61    63    64   0.13050  1.0 3.0
   62    61    63    65   0.13050  1.0 3.0
   62    61    63    66   0.17350  1.0 3.0
   62    61    71    55   0.17350  1.0 3.0
   62    61    71    69   0.17350  1.0 3.0
   62    61    71    72   0.13050  1.0 3.0
   63    61    71    55   0.08000 -1.0 2.0
   63    61   -71    69   0.47100  1.0 1.0
   63    61    71    72   0.15000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66   -69    71   0.56750  1.0 1.0
   63    66   -69    71  -0.07550 -1.0 2.0
   63    66   -69    71   0.20000  1.0 3.0
   63    66    69    73   0.62750  1.0 1.0
   63    66    69    73  -0.30950 -1.0 2.0
   63    66    69    73   0.27300  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    71    55   0.34400  1.0 1.0
   66    69    71    55   0.09450 -1.0 2.0
   66    69    71    55   0.11100  1.0 3.0
   66    69   -71    61   1.36600  1.0 1.0
   66    69   -71    61  -0.11450 -1.0 2.0
   66    69   -71    61   0.24250  1.0 3.0
   66    69    71    72   0.15000  1.0 3.0
   66    69    73    74  -0.25900  1.0 1.0
   66    69    73    74  -0.47000 -1.0 2.0
   66    69    73    74   0.11750  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    73   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    73   0.23400  1.0 3.0
   69    73    74    75   3.00000 -1.0 2.0
   69    73    74    76   2.00000 -1.0 2.0
   70    69    71    55   0.15000  1.0 3.0
   70    69    71    61   0.19200  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    73    74   0.08050  1.0 3.0
   71    55    56    57   7.00000 -1.0 2.0
   71    55   -56    58   7.00000 -1.0 2.0
   71    61    63    64   0.15000  1.0 3.0
   71    61    63    65   0.15000  1.0 3.0
   71    61   -63    66   0.47100  1.0 1.0
   71    69    73    74  -0.25900  1.0 1.0
   71    69    73    74  -0.47000 -1.0 2.0
   71    69    73    74   0.11750  1.0 3.0
   73    69    71    55   0.61850  1.0 1.0
   73    69    71    55  -0.22750 -1.0 2.0
   73    69    71    55   0.15300  1.0 3.0
   73    69    71    61   1.69300  1.0 1.0
   73    69    71    61  -0.48450 -1.0 2.0
   73    69    71    72   0.23400  1.0 3.0
   73    74    76    77  -0.56150  1.0 1.0
   73    74    76    77   2.19150 -1.0 2.0
   73    74    76    79  -0.15000  1.0 1.0
   73    74    76    79   0.89550 -1.0 2.0
   73    74    76    79  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    82   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    79  -0.64400  1.0 1.0
   75    74    76    79   0.26850 -1.0 2.0
   76    77    83    84   0.00000  1.0 1.0
   76    77    83    85   0.00000  1.0 1.0
   76    77    83    86   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.33100  1.0 3.0
   78    77    83    86   0.33100  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51   0.19450  1.0 3.0
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    49    44    45  10.50000 -1.0 2.0
   52    71    55    56   1.10000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
END
