* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    156    234     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    38.86468  -151.60237
    3     1 S   H    _H1_     3     1.02061   101.29842   -45.80576
    4     1 S   H    _H2_     4     1.02043    75.70218    60.87412
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO4  _C23    36     1.76720   100.55030  -178.16059
   34    33 S   O    _O39    37     1.22466   122.47165     2.21514
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C22    38     1.51251   113.26711  -179.98022
   39    38 S   HC   _H21    39     1.09620   107.15965   -87.76370
   40    38 S   HC   _H22    40     1.09541   109.74647    30.77882
   41    38 S   CO4  _C21    41     1.51888   115.82270   151.44166
   42    41 S   O    _O38    42     1.22999   122.10348    -3.67248
   43    41 S   CT   _C20    43     1.51768   115.60444  -179.77100
   44    43 S   HC   _H19    44     1.09559   106.93887    90.00416
   45    43 S   HC   _H20    45     1.09541   108.54574   -27.67354
   46    43 S   CO4  _C19    46     1.51634   116.57598  -148.48153
   47    46 S   O    _O37    47     1.22959   122.41126     1.37330
   48    46 S   CT   _C18    48     1.51391   114.80813   179.24567
   49    48 S   HC   _H17    49     1.08823   109.00290     0.05234
   50    48 S   HC   _H18    50     1.08902   109.00355   119.69033
   51    48 S   CT   _C17    51     1.53673   112.06944  -120.22613
   52    51 S   CM   _C12    52     1.52250   113.28081  -179.51463
   53    51 S   OH   _O40    86     1.43344   108.12343   -59.74025
   54    53 S   HO   _H23    87     0.96797   106.06822    57.00346
   55    52 S   CMA  _C13    53     1.35814   125.52083  -131.59004
   56    55 S   OM   _O42    54     1.26407   131.66061   178.76141
   57    52 S   CO4  _C11    65     1.48147   117.05600    49.34974
   58    57 S   O    _O36    66     1.22746   119.71237  -118.84370
   59    55 S   CT   _C14    55     1.52857   118.58224    -2.78136
   60    59 S   HC   _H13    56     1.10089   109.13729   105.04712
   61    59 S   HC   _H14    57     1.10172   111.38505  -139.02257
   62    57 S   CT   _C10    67     1.51177   116.66351    59.12103
   63    62 S   HC   _H11    68     1.09597   107.03059   -89.99733
   64    62 S   HC   _H12    69     1.09571   109.39653    28.14459
   65    59 S   CT   _C15    58     1.53083   114.50225   -17.65276
   66    65 S   HC   _H3_    59     1.09556   110.41182   -73.08234
   67    62 S   CO4  _C9_    70     1.51757   115.86483   148.98598
   68    67 S   O    _O35    71     1.23007   122.02390    -3.53817
   69    51 S   CT   _C16    60     1.53903   107.77067    55.39294
   70    69 S   HC   _H15    61     1.09835   110.79766    45.02092
   71    69 S   HC   _H16    62     1.09853   110.65700   -72.19518
   72    65 S   OH   _O41    63     1.42401   109.53890   168.27768
   73    72 S   HO   _H24    64     0.97036   106.64921    60.00165
   74    67 S   CT   _C8_    72     1.51740   115.67882  -179.78511
   75    74 S   HC   _H9_    73     1.09489   108.52442   -29.92799
   76    74 S   HC   _H10    74     1.09556   106.96797    87.77901
   77    74 S   CO4  _C7_    75     1.51685   116.57966  -150.69734
   78    77 S   O    _O34    76     1.22933   122.20491     1.98712
   79    77 S   CT   _C6_    77     1.51679   115.43844  -178.38990
   80    79 S   HC   _H7_    78     1.09551   108.25017   -60.01432
   81    79 S   HC   _H8_    79     1.09529   107.03914    57.66658
   82    79 S   CO4  _C5_    80     1.51510   116.79037   179.14935
   83    82 S   O    _O33    81     1.22951   123.15795     3.60239
   84    82 S   CT   _C4_    82     1.50735   116.04802  -178.53674
   85    84 S   HC   _H4_    83     1.09413   109.71061    90.01239
   86    84 S   HC   _H5_    84     1.09224   109.68627   -29.34330
   87    84 S   HC   _H6_    85     1.09320   109.55820  -150.48526
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   7   4   2   1   1   8   4   3   7   4   8   4   3   8   4  12
   5   4  15  17   7   1  11   5   9   4   9   5   4   8   4   3
   6   5   7   4   4   2   1   1   1   8   4   3   7   4   8   4
   3   5   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    69    53  
   48    49    50    51  
   49    50    51    52    55    65    69    70    71    57    53    54  
   50    51    52    69    53  
   51    52    69    53  
   52    55    56    59    65    66    69    70    71    72    57    58    62    53    54  
   55    56    59    60    61    65    69    70    71    57    58    62    63    64    67    53    54  
   54    55    57    65    69    70    71  
   69  
   56    59    60    61    65    66    69    72    57    58    62  
   59    60    61    65    57  
   58    62    63    64    67    68    74    59    69  
   62    63    64    67  
   60    61    65    66    69    70    71    72    73  
   61    65    66    69    72  
   65    66    69    72  
   63    64    67    68    74    75    76    77  
   64    67    68    74  
   67    68    74  
   66    69    70    71    72    73  
   69    70    71    72    73  
   68    74    75    76    77    78    79  
   74    75    76    77  
   70    71    72    73  
   71    72  
   72  
   73  
    0  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84  
   79    80    81    82  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87  
   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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0150   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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   317.000  1.510
   51    69   268.000  1.529
   51    53   320.000  1.410
   52    55   465.000  1.376
   52    57   320.000  1.462
   55    56   745.000  1.250
   55    59   270.000  1.512
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   72    73   553.000  0.945
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.522
   67    68   570.000  1.229
   67    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   53    54   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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    75.00000  107.99600
   38    33    34    80.00000  120.40000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    46    47    80.00000  120.40000
   43    46    48    70.00000  116.00000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    63.00000  111.10000
   48    46    47    80.00000  120.40000
   48    51    52    70.00000  112.02700
   48    51    69    58.35000  112.70000
   48    51    53    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    55    70.00000  124.00000
   51    52    57    65.00000  116.34900
   51    69    65    58.35000  112.70000
   51    69    70    37.50000  110.70000
   51    69    71    37.50000  110.70000
   51    53    54    55.00000  108.50000
   52    55    56    65.00000  137.10300
   52    55    59    65.00000  122.18000
   52    57    58    80.00000  123.72100
   52    57    62    65.00000  118.62400
   55    59    60    45.00000  110.52000
   55    59    61    45.00000  110.52000
   55    59    65    70.00000  112.02700
   59    55    56    85.00000  112.85300
   59    65    66    37.50000  110.70000
   59    65    69    58.35000  112.70000
   59    65    72    50.00000  109.50000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    72    73    55.00000  108.50000
   69    51    52    70.00000  112.02700
   69    65    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    69    50.00000  109.50000
   57    52    55    60.00000  125.92000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    67    75.00000  107.99600
   62    57    58    80.00000  120.40000
   62    67    68    80.00000  120.40000
   62    67    74    70.00000  116.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    75.00000  107.99600
   74    67    68    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    75.00000  107.99600
   79    77    78    80.00000  120.40000
   79    82    83    80.00000  120.40000
   79    82    84    70.00000  116.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   53    51    52    90.00000  110.39200
   53    51    69    50.00000  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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41    43    46   0.65300  1.0 1.0
   38    41    43    46  -0.03850 -1.0 2.0
   38    41    43    46   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.65300  1.0 1.0
   41    43    46    48  -0.03850 -1.0 2.0
   41    43    46    48   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    51   0.60050  1.0 1.0
   43    46    48    51   0.05600 -1.0 2.0
   43    46    48    51   0.26150  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   45    43    46    47   0.00000  1.0 1.0
   45    43    46    48   0.00000  1.0 1.0
   46    48    51    52  -0.98800  1.0 1.0
   46    48    51    52   0.48800 -1.0 2.0
   46    48    51    52   0.76800  1.0 3.0
   46    48    51    69  -0.95700  1.0 1.0
   46    48    51    69  -0.18200 -1.0 2.0
   46    48    51    69   0.29450  1.0 3.0
   46    48    51    53  -0.09450  1.0 1.0
   46    48    51    53  -1.12950 -1.0 2.0
   46    48    51    53   0.54000  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.30150 -1.0 2.0
   48    51    52    55   0.09850  1.0 1.0
   48    51    52    55   0.15250 -1.0 2.0
   48    51    52    55  -0.50650  1.0 3.0
   48    51    52    57   0.09700  1.0 1.0
   48    51    52    57   0.15600 -1.0 2.0
   48    51    52    57  -0.50800  1.0 3.0
   48    51    69    65   0.56750  1.0 1.0
   48    51    69    65  -0.07550 -1.0 2.0
   48    51    69    65   0.20000  1.0 3.0
   48    51    69    70   0.15000  1.0 3.0
   48    51    69    71   0.15000  1.0 3.0
   48    51    53    54  -0.11600  1.0 1.0
   48    51    53    54  -0.09450 -1.0 2.0
   48    51    53    54   0.21250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    69   0.15000  1.0 3.0
   49    48    51    53   0.23400  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    69   0.15000  1.0 3.0
   50    48    51    53   0.23400  1.0 3.0
   51    52    55    56   7.00000 -1.0 2.0
   51    52    55    59   7.00000 -1.0 2.0
   51    52    57    58  -0.64400  1.0 1.0
   51    52    57    58   0.26850 -1.0 2.0
   51    52    57    62   0.25700  1.0 1.0
   51    52    57    62   0.66200 -1.0 2.0
   51    52    57    62   0.04450  1.0 3.0
   52    51    69    65   0.34400  1.0 1.0
   52    51    69    65   0.09450 -1.0 2.0
   52    51    69    65   0.11100  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   52    51    69    71   0.15000  1.0 3.0
   52    51    53    54  -0.07800  1.0 1.0
   52    51    53    54  -0.21500 -1.0 2.0
   52    51    53    54  -0.03150  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    61   0.00000  1.0 1.0
   52    55   -59    65   0.09850  1.0 1.0
   52    55   -59    65   0.15250 -1.0 2.0
   52    55   -59    65  -0.50650  1.0 3.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    64   0.00000  1.0 1.0
   52    57    62    67   0.65300  1.0 1.0
   52    57    62    67  -0.03850 -1.0 2.0
   52    57    62    67   0.33900  1.0 3.0
   55    52    57    58   1.00000 -1.0 2.0
   55    52    57    62  -0.33500  1.0 1.0
   55    52    57    62   1.06600 -1.0 2.0
   55    52    57    62  -0.14000  1.0 3.0
   55    59    65    66   0.15000  1.0 3.0
   55    59    65    69   0.34400  1.0 1.0
   55    59    65    69   0.09450 -1.0 2.0
   55    59    65    69   0.11100  1.0 3.0
   55    59    65    72   1.05650  1.0 1.0
   55    59    65    72   0.15600 -1.0 2.0
   55    59    65    72   0.53150  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    65   0.09700  1.0 1.0
   56    55    59    65   0.15600 -1.0 2.0
   56    55    59    65  -0.50800  1.0 3.0
   59    65   -69    51   0.56750  1.0 1.0
   59    65   -69    51  -0.07550 -1.0 2.0
   59    65   -69    51   0.20000  1.0 3.0
   59    65    69    70   0.15000  1.0 3.0
   59    65    69    71   0.15000  1.0 3.0
   59    65    72    73  -0.11600  1.0 1.0
   59    65    72    73  -0.09450 -1.0 2.0
   59    65    72    73   0.21250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69   0.15000  1.0 3.0
   60    59    65    72   0.23400  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    69   0.15000  1.0 3.0
   61    59    65    72   0.23400  1.0 3.0
   66    65    69    51   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    72    73   0.19450  1.0 3.0
   69    51   -52    55   0.09850  1.0 1.0
   69    51   -52    55   0.15250 -1.0 2.0
   69    51   -52    55  -0.50650  1.0 3.0
   69    51    52    57   0.09700  1.0 1.0
   69    51    52    57   0.15600 -1.0 2.0
   69    51    52    57  -0.50800  1.0 3.0
   69    51    53    54  -0.11600  1.0 1.0
   69    51    53    54  -0.09450 -1.0 2.0
   69    51    53    54   0.21250  1.0 3.0
   69    65    72    73  -0.11600  1.0 1.0
   69    65    72    73  -0.09450 -1.0 2.0
   69    65    72    73   0.21250  1.0 3.0
   72    65    69    51   0.86500  1.0 1.0
   72    65    69    51  -0.17500 -1.0 2.0
   72    65    69    51   0.20800  1.0 3.0
   72    65    69    70   0.23400  1.0 3.0
   72    65    69    71   0.23400  1.0 3.0
   57    52    55    56   7.00000 -1.0 2.0
   57    52    55    59   7.00000 -1.0 2.0
   57    62    67    68   0.30150 -1.0 2.0
   57    62    67    74   0.65300  1.0 1.0
   57    62    67    74  -0.03850 -1.0 2.0
   57    62    67    74   0.33900  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   58    57    62    67   0.30150 -1.0 2.0
   62    67    74    75   0.00000  1.0 1.0
   62    67    74    76   0.00000  1.0 1.0
   62    67    74    77   0.65300  1.0 1.0
   62    67    74    77  -0.03850 -1.0 2.0
   62    67    74    77   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    74   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   64    62    67    74   0.00000  1.0 1.0
   67    74    77    78   0.30150 -1.0 2.0
   67    74    77    79   0.65300  1.0 1.0
   67    74    77    79  -0.03850 -1.0 2.0
   67    74    77    79   0.33900  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   68    67    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.65300  1.0 1.0
   74    77    79    82  -0.03850 -1.0 2.0
   74    77    79    82   0.33900  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83   0.30150 -1.0 2.0
   77    79    82    84   0.65300  1.0 1.0
   77    79    82    84  -0.03850 -1.0 2.0
   77    79    82    84   0.33900  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   53    51    52    55   0.67800  1.0 1.0
   53    51    52    55   0.47050 -1.0 2.0
   53    51    52    55  -0.62500  1.0 3.0
   53    51    52    57   0.09700  1.0 1.0
   53    51    52    57   0.15600 -1.0 2.0
   53    51    52    57  -0.50800  1.0 3.0
   53    51    69    65   0.86500  1.0 1.0
   53    51    69    65  -0.17500 -1.0 2.0
   53    51    69    65   0.20800  1.0 3.0
   53    51    69    70   0.23400  1.0 3.0
   53    51    69    71   0.23400  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
   29    38    33    34  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    48    46    47  10.50000 -1.0 2.0
   51    57    52    55   1.10000 -1.0 2.0
   59    56    55    52   1.10000 -1.0 2.0
   52    62    57    58  10.50000 -1.0 2.0
   62    74    67    68  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
END
