* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    155    235     456
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078    33.98677   146.23315
    3     1 S   H    _H1_     3     1.02122    84.39539   -77.72410
    4     1 S   H    _H2_     4     1.02011    95.51114    30.59953
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   CT   _C11    36     1.85254    96.82568  -158.14053
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.51119   107.92879    60.01083
   38    37 S   HC   _H16    38     1.09132   116.40888    20.49651
   39    33 S   CT   _C10    58     1.55946   110.49684  -178.72114
   40    39 S   HC   _H14    59     1.09696   108.65830   166.39237
   41    39 S   HC   _H15    60     1.10119   107.26746    54.00881
   42    33 S   CT   _C23    83     1.54129   104.91063   -60.75501
   43    42 S   HC   _H25    84     1.08418   109.08009   -62.65499
   44    42 S   HC   _H26    85     1.08378   109.02842   177.40980
   45    42 S   HC   _H27    86     1.08302   109.14012    57.35101
   46    37 S   CM   _C13    39     1.34383   126.81285  -168.54152
   47    46 S   CM   _C14    40     1.44156   120.33610  -163.73712
   48    47 S   HC   _H17    41     1.08872   114.09589   -86.27232
   49    46 S   OH   _O38    81     1.37691   123.34198     7.81485
   50    49 S   HO   _H24    82     0.96514   110.23027  -171.84613
   51    47 S   CM   _C15    42     1.34875   126.11304    93.76951
   52    51 S   CT   _C16    43     1.52780   128.72285     1.81898
   53    52 S   HC   _H4_    44     1.10396   107.11900  -144.14561
   54    51 S   CT   _C22    77     1.51296   118.04283   179.83568
   55    54 S   HC   _H21    78     1.08272   108.85098    90.02674
   56    54 S   HC   _H22    79     1.08383   108.86769   -30.18867
   57    54 S   HC   _H23    80     1.08388   108.83740  -149.79493
   58    52 S   CT   _C17    45     1.55337   122.56069   -19.79004
   59    58 S   HC   _H5_    46     1.09053   109.95033    66.70550
   60    52 S   OH   _O37    75     1.43874   106.33957   103.63756
   61    60 S   HO   _H20    76     0.96640   105.75881   -60.03528
   62    58 S   CT   _C18    47     1.53316   116.03783   -63.76924
   63    62 S   HC   _H6_    48     1.09252   113.12673    29.22953
   64    62 S   CM   _C19    49     1.49946    99.33752   -86.11548
   65    62 S   CT   _C9_    56     1.55604   114.58529   157.09558
   66    65 S   HC   _H3_    57     1.10383   108.40089    64.45054
   67    64 S   CO4  _C21    50     1.47402   108.80936   -26.36844
   68    67 S   O    _O35    51     1.21727   127.41855  -167.65945
   69    64 S   CM   _C20    53     1.33423   128.81386   150.68530
   70    69 S   HC   _H18    54     1.08394   120.64116     3.92146
   71    69 S   HC   _H19    55     1.08344   120.75623  -176.04567
   72    65 S   OS   _O34    61     1.42982   108.73998   179.01404
   73    58 S   OS   _O36    52     1.45743   107.24292  -179.55721
   74    72 S   CO4  _C8_    62     1.36209   115.74643  -146.21675
   75    74 S   O    _O33    63     1.22307   125.84120    -0.01978
   76    74 S   CM   _C6_    64     1.49461   109.49663  -179.77100
   77    76 S   CM   _C5_    65     1.34523   115.87537   179.71814
   78    77 S   HC   _H10    66     1.08984   119.50473    -0.46182
   79    76 S   CT   _C7_    71     1.49949   118.33142    -1.72714
   80    79 S   HC   _H11    72     1.09278   113.01277   -88.30823
   81    79 S   HC   _H12    73     1.09641   110.52184    30.50130
   82    79 S   HC   _H13    74     1.09458   110.41811   150.51055
   83    77 S   CT   _C4_    67     1.49627   127.26048  -179.15466
   84    83 S   HC   _H7_    68     1.09488   109.40091   -91.22224
   85    83 S   HC   _H8_    69     1.09121   113.68861   148.95107
   86    83 S   HC   _H9_    70     1.09374   109.79303    27.23267
  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  12   5   4   3
  16   2   1   1  15   5  15   6   5   5   2   1   1   7  12   4
   2   1  12  15   7   5   2   1   1  13   7   3   1  12   7   9
   8   2   5   2   3   1   1   5   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    65    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    62    65    66    39    40    41    72    49    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    51    65    39    40    41    49    50    42    43    44    45  
   46    47    39    49    42  
   40    41    72    74    42    43    44    45    46    58    62    63    64    65    66  
   41    72    42    62    65    66  
   72    42    62    65    66  
   43    44    45    46    65  
   44    45  
   45  
    0  
   47    48    51    52    54    49    50  
   48    51    52    53    58    60    54    55    56    57    49    50  
   51    52    54    49  
   50    51  
    0  
   52    53    58    59    62    73    60    61    54    55    56    57  
   53    58    59    62    63    64    67    73    65    60    61    54    55    56    57  
   58    59    62    73    60    61    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    67    68    73    69    65    66    72    60    61  
   62    63    64    67    73    65    60  
   61    62    73  
    0  
   63    64    67    68    73    69    70    71    65    66    72    74  
   64    67    73    69    65    66    72  
   67    68    73    69    70    71    65    66    72  
   66    72    74    75    76    67    69    73  
   72    74  
   68    73    69    70    71  
   73    69  
   70    71    73  
   71  
    0  
   74    75    76    77    79  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   380.000  1.444
   46    49   510.000  1.338
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   317.000  1.510
   51    54   317.000  1.510
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   320.000  1.410
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    73   320.000  1.410
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   69    70   340.000  1.080
   69    71   340.000  1.080
   65    66   340.000  1.090
   65    39   268.000  1.529
   65    72   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   72    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
   60    61   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   49    50   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    70.00000  123.01800
   37    46    49    80.00000  121.38400
   46    37    38    35.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    70.00000  123.01800
   46    49    50    70.00000  107.45700
   47    51    52    70.00000  124.00000
   47    51    54    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    58    70.00000  112.02700
   51    52    60    90.00000  110.39200
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    73    50.00000  109.50000
   52    60    61    55.00000  108.50000
   58    52    53    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    70.00000  112.02700
   58    62    65    58.35000  112.70000
   58    73    67    83.00000  116.90000
   62    58    59    37.50000  110.70000
   62    64    67    65.00000  116.34900
   62    64    69    70.00000  124.00000
   62    65    66    37.50000  110.70000
   62    65    39    58.35000  112.70000
   62    65    72    50.00000  109.50000
   64    62    63    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   73    58    59    35.00000  109.50000
   73    58    62    50.00000  109.50000
   73    67    68    83.00000  123.40000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   65    62    63    37.50000  110.70000
   65    62    64    70.00000  112.02700
   65    39    40    37.50000  110.70000
   65    39    41    37.50000  110.70000
   65    72    74    83.00000  116.90000
   39    33    37    70.00000  112.02700
   39    65    66    37.50000  110.70000
   41    39    40    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    39    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    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
   60    52    53    35.00000  109.50000
   60    52    58    50.00000  109.50000
   54    51    52    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   49    46    47    80.00000  121.38400
   42    33    37    70.00000  112.02700
   42    33    39    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   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    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  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    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    49   7.00000 -1.0 2.0
   37    33    39    65   0.34400  1.0 1.0
   37    33    39    65   0.09450 -1.0 2.0
   37    33    39    65   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    47    48  -0.18600  1.0 3.0
   37    46    47    51   0.28850  1.0 1.0
   37    46    47    51   2.61350 -1.0 2.0
   37    46    47    51   0.78400  1.0 3.0
   37    46    49    50  -0.66100  1.0 1.0
   37    46    49    50   1.20850 -1.0 2.0
   37    46    49    50  -0.36000  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    49   7.00000 -1.0 2.0
   46    47    51    52   7.00000 -1.0 2.0
   46    47    51    54   7.00000 -1.0 2.0
   47    46    49    50  -0.66100  1.0 1.0
   47    46    49    50   1.20850 -1.0 2.0
   47    46    49    50  -0.36000  1.0 3.0
   47    51    52    53   0.00000  1.0 1.0
   47    51    52    58   0.09850  1.0 1.0
   47    51    52    58   0.15250 -1.0 2.0
   47    51    52    58  -0.50650  1.0 3.0
   47    51    52    60   0.67800  1.0 1.0
   47    51    52    60   0.47050 -1.0 2.0
   47    51    52    60  -0.62500  1.0 3.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.00000  1.0 1.0
   47    51    54    57   0.00000  1.0 1.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    54   7.00000 -1.0 2.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    62   0.34400  1.0 1.0
   51    52    58    62   0.09450 -1.0 2.0
   51    52    58    62   0.11100  1.0 3.0
   51    52    58    73   0.61850  1.0 1.0
   51    52    58    73  -0.22750 -1.0 2.0
   51    52    58    73   0.15300  1.0 3.0
   51    52    60    61  -0.07800  1.0 1.0
   51    52    60    61  -0.21500 -1.0 2.0
   51    52    60    61  -0.03150  1.0 3.0
   52    51    54    55   0.34800  1.0 3.0
   52    51    54    56   0.34800  1.0 3.0
   52    51    54    57   0.34800  1.0 3.0
   52    58    62    63   0.15000  1.0 3.0
   52    58    62    64   0.34400  1.0 1.0
   52    58    62    64   0.09450 -1.0 2.0
   52    58    62    64   0.11100  1.0 3.0
   52    58    62    65   0.56750  1.0 1.0
   52    58    62    65  -0.07550 -1.0 2.0
   52    58    62    65   0.20000  1.0 3.0
   52    58    73    67  -0.25900  1.0 1.0
   52    58    73    67  -0.47000 -1.0 2.0
   52    58    73    67   0.11750  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    62   0.15000  1.0 3.0
   53    52    58    73   0.23400  1.0 3.0
   53    52    60    61   0.19450  1.0 3.0
   58    52    60    61  -0.11600  1.0 1.0
   58    52    60    61  -0.09450 -1.0 2.0
   58    52    60    61   0.21250  1.0 3.0
   58    62   -64    67   0.09700  1.0 1.0
   58    62   -64    67   0.15600 -1.0 2.0
   58    62   -64    67  -0.50800  1.0 3.0
   58    62    64    69   0.09850  1.0 1.0
   58    62    64    69   0.15250 -1.0 2.0
   58    62    64    69  -0.50650  1.0 3.0
   58    62    65    66   0.15000  1.0 3.0
   58    62    65    39   0.56750  1.0 1.0
   58    62    65    39  -0.07550 -1.0 2.0
   58    62    65    39   0.20000  1.0 3.0
   58    62    65    72   0.62750  1.0 1.0
   58    62    65    72  -0.30950 -1.0 2.0
   58    62    65    72   0.27300  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    58    73    67   0.08050  1.0 3.0
   62    58   -73    67  -0.25900  1.0 1.0
   62    58   -73    67  -0.47000 -1.0 2.0
   62    58   -73    67   0.11750  1.0 3.0
   62    64    67    68  -0.64400  1.0 1.0
   62    64    67    68   0.26850 -1.0 2.0
   62    64   -67    73  -0.15000  1.0 1.0
   62    64   -67    73   0.89550 -1.0 2.0
   62    64   -67    73  -0.06900  1.0 3.0
   62    64    69    70   7.00000 -1.0 2.0
   62    64    69    71   7.00000 -1.0 2.0
   62    65    39    33   0.56750  1.0 1.0
   62    65    39    33  -0.07550 -1.0 2.0
   62    65    39    33   0.20000  1.0 3.0
   62    65    39    40   0.15000  1.0 3.0
   62    65    39    41   0.15000  1.0 3.0
   62    65    72    74  -0.25900  1.0 1.0
   62    65    72    74  -0.47000 -1.0 2.0
   62    65    72    74   0.11750  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    69   0.00000  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    39   0.15000  1.0 3.0
   63    62    65    72   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    39   0.34400  1.0 1.0
   64    62    65    39   0.09450 -1.0 2.0
   64    62    65    39   0.11100  1.0 3.0
   64    62    65    72   0.61850  1.0 1.0
   64    62    65    72  -0.22750 -1.0 2.0
   64    62    65    72   0.15300  1.0 3.0
   64    67   -73    58   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   68    67    73    58   3.00000 -1.0 2.0
   73    58    62    63   0.23400  1.0 3.0
   73    58   -62    64   0.61850  1.0 1.0
   73    58   -62    64  -0.22750 -1.0 2.0
   73    58   -62    64   0.15300  1.0 3.0
   73    58    62    65   0.62750  1.0 1.0
   73    58    62    65  -0.30950 -1.0 2.0
   73    58    62    65   0.27300  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   65    62    64    67   0.09700  1.0 1.0
   65    62    64    67   0.15600 -1.0 2.0
   65    62    64    67  -0.50800  1.0 3.0
   65    62    64    69   0.09850  1.0 1.0
   65    62    64    69   0.15250 -1.0 2.0
   65    62    64    69  -0.50650  1.0 3.0
   65    72    74    75   3.00000 -1.0 2.0
   65    72    74    76   2.00000 -1.0 2.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    41   0.15000  1.0 3.0
   66    65    72    74   0.08050  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    45   0.15000  1.0 3.0
   39    65    72    74  -0.25900  1.0 1.0
   39    65    72    74  -0.47000 -1.0 2.0
   39    65    72    74   0.11750  1.0 3.0
   72    65    39    33   0.62750  1.0 1.0
   72    65    39    33  -0.30950 -1.0 2.0
   72    65    39    33   0.27300  1.0 3.0
   72    65    39    40   0.23400  1.0 3.0
   72    65    39    41   0.23400  1.0 3.0
   72    74    76    77  -0.56150  1.0 1.0
   72    74    76    77   2.19150 -1.0 2.0
   72    74    76    79  -0.15000  1.0 1.0
   72    74    76    79   0.89550 -1.0 2.0
   72    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
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    62   0.86500  1.0 1.0
   60    52    58    62  -0.17500 -1.0 2.0
   60    52    58    62   0.20800  1.0 3.0
   60    52    58    73   3.69350  1.0 1.0
   60    52    58    73  -1.82950 -1.0 2.0
   54    51    52    53   0.34800  1.0 3.0
   54    51    52    58   0.46850  1.0 1.0
   54    51    52    58   0.08550 -1.0 2.0
   54    51    52    58   0.09800  1.0 3.0
   54    51    52    60   0.18000  1.0 1.0
   54    51    52    60   0.16450 -1.0 2.0
   54    51    52    60   0.04450  1.0 3.0
   49    46    47    48   0.00000  1.0 1.0
   49    46    47    51   0.50950  1.0 1.0
   49    46    47    51   0.56650 -1.0 2.0
   49    46    47    51   0.34050  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    39    65   0.56750  1.0 1.0
   42    33    39    65  -0.07550 -1.0 2.0
   42    33    39    65   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46   1.10000 -1.0 2.0
   47    49    46    37   1.10000 -1.0 2.0
   46    48    47    51   1.10000 -1.0 2.0
   52    54    51    47   1.10000 -1.0 2.0
   62    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   72    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
