* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    159    252     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066   104.68235     4.67906
    3     1 S   H    _H1_     3     1.02124    45.10189   106.62766
    4     1 S   H    _H2_     4     1.02118    67.79092   -99.85600
    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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   _C24    36     1.82597    99.24799  -178.17898
   34    33 S   HC   _H6_    37     1.09482   106.12911    38.96745
   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   CM   _C6_    38     1.54232   110.82768   159.99662
   39    33 S   OH   _O35    86     1.42517   111.13493   -75.94635
   40    39 S   HO   _H27    87     0.97249   107.34887    56.07970
   41    38 S   CMA  _C5_    39     1.37303   120.70582   -87.87591
   42    41 S   OM   _O36    40     1.27052   125.37403   177.73895
   43    38 S   CT   _C7_    46     1.55575   115.26342    90.03333
   44    43 S   HC   _H3_    47     1.10026   107.37436     2.16465
   45    41 S   OS   _O33    41     1.41686   112.08411    -4.22132
   46    43 S   CT   _C8_    48     1.56025   114.78043   118.14439
   47    46 S   HC   _H10    49     1.09496   110.99301    80.10414
   48    46 S   HC   _H11    50     1.09738   108.68635  -164.53771
   49    43 S   CT   _C20    76     1.56272   112.98770  -115.96438
   50    49 S   HC   _H5_    77     1.09758   109.61414   -66.71122
   51    45 S   CT   _C4_    42     1.42842   114.55981   120.00831
   52    51 S   HC   _H7_    43     1.09185   109.49078   180.00000
   53    51 S   HC   _H8_    44     1.09306   109.47946    59.19464
   54    51 S   HC   _H9_    45     1.09223   108.93806   -60.37342
   55    46 S   CT   _C9_    51     1.52152   115.43340   -44.32617
   56    55 S   HC   _H4_    52     1.09675   110.84984    43.47017
   57    49 S   CM   _C21    78     1.50393   115.27248    58.15425
   58    57 S   HC   _H23    79     1.08794   117.93274    56.34510
   59    49 S   CO4  _C23    83     1.51858   111.12764   176.12657
   60    59 S   O    _O34    84     1.22830   123.32638   149.21866
   61    59 S   HC   _H26    85     1.10459   116.23617   -34.79053
   62    55 S   C5A  _C10    53     1.48558   112.15095   165.55848
   63    57 S   CM   _C22    80     1.33867   123.84167  -124.56486
   64    63 S   HC   _H24    81     1.08395   120.42791  -179.60386
   65    63 S   HC   _H25    82     1.08489   121.52341     0.52152
   66    62 S   C5B  _C11    54     1.46243   123.82768   106.39808
   67    62 S   NA   _N4_    65     1.28748   124.83258   -73.07361
   68    67 S   H    _H16    66     1.01728   127.96953    -0.63643
   69    66 S   C56B _C12    55     1.44419   105.19631   179.88986
   70    66 S   CT   _C18    67     1.47214   122.04949     5.64684
   71    70 S   HC   _H17    68     1.09629   110.76566    99.26626
   72    70 S   HC   _H18    69     1.09685   109.12914  -142.94607
   73    69 S   CA   _C13    56     1.37725   134.40691  -179.01941
   74    73 S   HA   _H12    57     1.08328   121.88033    -0.23739
   75    70 S   CT   _C19    70     1.53135   110.77411   -22.15048
   76    75 S   HC   _H19    71     1.09751   112.45118   167.39932
   77    75 S   HC   _H20    72     1.09524   111.09689   -70.14218
   78    73 S   CA   _C14    58     1.39919   117.29494   179.78786
   79    78 S   HA   _H13    59     1.08738   119.47651   179.87489
   80    55 S   NP   _N5_    73     1.51643   109.24145   -73.63570
   81    80 S   H    _H21    74     1.03433   108.85597   157.62398
   82    80 S   H    _H22    75     1.03524   109.62861    43.44169
   83    78 S   CA   _C15    60     1.41165   121.30961    -0.09691
   84    83 S   HA   _H14    61     1.08766   119.24568   179.90309
   85    83 S   CA   _C16    62     1.39784   121.16152    -0.13706
   86    85 S   HA   _H15    63     1.08348   120.89357  -179.95577
   87    69 S   C56A _C17    64     1.40986   104.54597     0.51926
  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   7   5   4   3
  11   5   2   1   1  16   3   1  10   3  17   8   4  15   6   5
  10   6   3   2   1   1  14   7   7   4   3   1   1  14   2   1
   1  15   9   3  12  10   5   4   7   4   5   4   3   6   3   2
   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    43    44    46    49    39    40  
   38    41    43    39    40  
   36    37  
   37  
    0  
   41    42    45    51    43    44    46    47    48    55    49    50    57    59    39    40  
   40    41    43  
    0  
   42    45    51    52    53    54    43    44    46    49  
   45    51    43  
   44    46    47    48    55    56    62    80    49    50    57    58    63    59    60    61    45  
   46    47    48    55    49    50    57    59  
   51    52    53    54  
   47    48    55    56    62    66    67    75    80    81    82    49    50    57    59  
   48    55    56    62    80    49  
   55    56    62    80    49  
   50    57    58    63    64    65    59    60    61    55  
   57    58    63    59    60    61  
   52    53    54  
   53    54  
   54  
    0  
   56    62    66    69    87    67    68    70    75    76    77    80    81    82  
   62    66    67    75    80    81    82  
   58    63    64    65    59    60    61  
   63    64    65    59  
   60    61    63  
   61  
    0  
   66    69    73    85    87    67    68    70    71    72    75    80    81    82  
   64    65  
   65  
    0  
   69    73    74    78    85    87    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    83    85    86    87  
   69    85    87  
   73    74    78    79    83    85    86    87    70    71    72    75  
   71    72    75    76    77    80    81    82    73    87  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    83    84    85    87  
   78    79    83    87  
   76    77    80    81    82  
   77    80    81    82  
   80    81    82  
   79    83    84    85    86    87  
   83    84    85  
   81    82  
   82  
    0  
   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  -0.335000   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   0.372500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.345000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    62   295.000  1.489
   55    80   367.000  1.471
   62    66   520.000  1.370
   62    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    87   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    82   434.000  1.010
   49    50   340.000  1.090
   49    57   317.000  1.510
   49    59   317.000  1.522
   57    58   340.000  1.080
   57    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   59    60   570.000  1.229
   59    61   340.000  1.090
   39    40   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    55.00000  108.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    46    70.00000  112.02700
   38    43    49    70.00000  112.02700
   41    45    51    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   43    38    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    57    70.00000  112.02700
   43    49    59    63.00000  111.10000
   46    43    44    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    62    70.00000  113.44400
   46    55    80    80.00000  111.20000
   48    46    47    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   55    62    66    55.00000  130.44200
   55    62    67    65.00000  122.56900
   55    80    75    75.00000  113.01200
   55    80    81    35.00000  109.50000
   55    80    82    35.00000  109.50000
   62    55    56    45.00000  110.47400
   62    66    69    80.00000  105.82900
   62    66    70    55.00000  127.77900
   62    67    87    90.00000  107.14200
   62    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    87    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    87    85    85.00000  122.70000
   69    87    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    83    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    83    84    35.00000  120.00000
   78    83    85    63.00000  120.00000
   83    78    79    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    85.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    67    70.00000  132.80000
   87    69    73    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    67    68    35.00000  123.10000
   67    62    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   80    55    56    35.00000  109.50000
   80    55    62    75.00000  111.64000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   82    80    81    35.00000  109.50000
   49    43    44    37.50000  110.70000
   49    43    46    58.35000  112.70000
   49    57    58    35.00000  117.00000
   49    57    63    70.00000  124.00000
   49    59    60    80.00000  120.40000
   49    59    61    35.00000  115.00000
   57    49    50    35.00000  109.50000
   57    63    64    35.00000  120.00000
   57    63    65    35.00000  120.00000
   63    57    58    35.00000  120.00000
   65    63    64    35.00000  117.00000
   59    49    50    35.00000  109.50000
   59    49    57    70.00000  109.06800
   61    59    60    35.00000  123.00000
   39    33    34    35.00000  109.50000
   39    33    38    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    46   0.46850  1.0 1.0
   33    38    43    46   0.08550 -1.0 2.0
   33    38    43    46   0.09800  1.0 3.0
   33    38    43    49   0.46850  1.0 1.0
   33    38    43    49   0.08550 -1.0 2.0
   33    38    43    49   0.09800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.19450  1.0 3.0
   38    33    39    40  -0.07800  1.0 1.0
   38    33    39    40  -0.21500 -1.0 2.0
   38    33    39    40  -0.03150  1.0 3.0
   38    41    45    51  -2.26850  1.0 1.0
   38    41    45    51   3.39050 -1.0 2.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.15000  1.0 3.0
   38    43    46    55   0.34400  1.0 1.0
   38    43    46    55   0.09450 -1.0 2.0
   38    43    46    55   0.11100  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    57   0.31000  1.0 1.0
   38    43    49    57   0.14700 -1.0 2.0
   38    43    49    57   0.07550  1.0 3.0
   38    43    49    59  -0.98800  1.0 1.0
   38    43    49    59   0.48800 -1.0 2.0
   38    43    49    59   0.76800  1.0 3.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    46   0.09850  1.0 1.0
   41    38    43    46   0.15250 -1.0 2.0
   41    38    43    46  -0.50650  1.0 3.0
   41    38    43    49   0.09850  1.0 1.0
   41    38    43    49   0.15250 -1.0 2.0
   41    38    43    49  -0.50650  1.0 3.0
   41    45    51    52   0.08050  1.0 3.0
   41    45    51    53   0.08050  1.0 3.0
   41    45    51    54   0.08050  1.0 3.0
   42    41    45    51   2.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    62  -0.03700  1.0 1.0
   43    46    55    62   0.37200 -1.0 2.0
   43    46    55    62  -0.47300  1.0 3.0
   43    46    55    80   1.36600  1.0 1.0
   43    46    55    80  -0.11450 -1.0 2.0
   43    46    55    80   0.24250  1.0 3.0
   43    49    57    58   0.00000  1.0 1.0
   43    49    57    63   0.09850  1.0 1.0
   43    49    57    63   0.15250 -1.0 2.0
   43    49    57    63  -0.50650  1.0 3.0
   43    49    59    60   0.30150 -1.0 2.0
   43    49    59    61   0.74550  1.0 1.0
   43    49    59    61  -0.00500 -1.0 2.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59  -0.11250  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    57   0.34400  1.0 1.0
   46    43    49    57   0.09450 -1.0 2.0
   46    43    49    57   0.11100  1.0 3.0
   46    43    49    59  -0.95700  1.0 1.0
   46    43    49    59  -0.18200 -1.0 2.0
   46    43    49    59   0.29450  1.0 3.0
   46    55    62    66   0.04150 -1.0 2.0
   46    55    62    67   0.39850  1.0 1.0
   46    55    62    67   0.06450 -1.0 2.0
   46    55    62    67   0.32400  1.0 3.0
   46    55    80    75   0.47100  1.0 1.0
   46    55    80    81   0.17350  1.0 3.0
   46    55    80    82   0.17350  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    62   0.43200  1.0 3.0
   47    46    55    80   0.19200  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    62   0.43200  1.0 3.0
   48    46    55    80   0.19200  1.0 3.0
   55    62    66    69   3.62500 -1.0 2.0
   55    62    66    70   3.62500 -1.0 2.0
   55    62    67    87   3.62500 -1.0 2.0
   55    62    67    68   2.00000 -1.0 2.0
   56    55    62    66   0.00000  1.0 1.0
   56    55    62    67   0.00000  1.0 1.0
   56    55    80    75   0.15000  1.0 3.0
   56    55    80    81   0.13050  1.0 3.0
   56    55    80    82   0.13050  1.0 3.0
   62    55    80    75   0.03550  1.0 1.0
   62    55    80    75   0.09800 -1.0 2.0
   62    55    80    81   0.17350  1.0 3.0
   62    55    80    82   0.17350  1.0 3.0
   62    66    69    73   3.62500 -1.0 2.0
   62    66   -69    87   3.50000 -1.0 2.0
   62    66    70    71   0.00000  1.0 1.0
   62    66    70    72   0.00000  1.0 1.0
   62    66   -70    75   0.04150 -1.0 2.0
   66    62   -67    87   3.62500 -1.0 2.0
   66    62    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    87    85   3.00000 -1.0 2.0
   66    69   -87    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   1.24050  1.0 1.0
   66    70    75    80   0.48100 -1.0 2.0
   66    70    75    80   1.08150  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    83   3.62500 -1.0 2.0
   69    87   -67    62   3.62500 -1.0 2.0
   69    87    67    68   1.52500 -1.0 2.0
   73    69    87    85   3.00000 -1.0 2.0
   73    69    87    67   3.00000 -1.0 2.0
   73    78    83    84   3.62500 -1.0 2.0
   73    78   -83    85   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    83   3.62500 -1.0 2.0
   78    83    85    86   3.62500 -1.0 2.0
   78    83    85    87   3.62500 -1.0 2.0
   79    78    83    84   3.62500 -1.0 2.0
   79    78    83    85   3.62500 -1.0 2.0
   83    85   -87    69   3.62500 -1.0 2.0
   83    85    87    67   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    67    62   3.62500 -1.0 2.0
   85    87    67    68   1.52500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    67   3.62500 -1.0 2.0
   87    69    73    74   3.50000 -1.0 2.0
   87    69   -73    78   3.50000 -1.0 2.0
   67    62   -66    69   3.62500 -1.0 2.0
   67    62    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    87   3.62500 -1.0 2.0
   70    75   -80    55   0.47100  1.0 1.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    82   0.17350  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   76    75    80    55   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   77    75    80    55   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    82   0.13050  1.0 3.0
   80    55   -62    66  -0.46400 -1.0 2.0
   80    55    62    67   0.04300 -1.0 2.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43    46    55   0.56750  1.0 1.0
   49    43    46    55  -0.07550 -1.0 2.0
   49    43    46    55   0.20000  1.0 3.0
   49    57    63    64   7.00000 -1.0 2.0
   49    57    63    65   7.00000 -1.0 2.0
   50    49    57    58   0.33100  1.0 3.0
   50    49    57    63   0.00000  1.0 1.0
   50    49    59    60   0.00000  1.0 1.0
   50    49    59    61   0.00000  1.0 1.0
   57    49    59    60   0.30150 -1.0 2.0
   57    49    59    61   0.81450  1.0 1.0
   57    49    59    61  -0.29600 -1.0 2.0
   57    49    59    61   0.60450  1.0 3.0
   58    57    63    64   7.00000 -1.0 2.0
   58    57    63    65   7.00000 -1.0 2.0
   59    49    57    58   0.00000  1.0 1.0
   59    49    57    63  -0.51250  1.0 1.0
   59    49    57    63  -0.88800 -1.0 2.0
   59    49    57    63   0.08850  1.0 3.0
   39    33    38    41   0.67800  1.0 1.0
   39    33    38    41   0.47050 -1.0 2.0
   39    33    38    41  -0.62500  1.0 3.0
   39    33    38    43   0.18000  1.0 1.0
   39    33    38    43   0.16450 -1.0 2.0
   39    33    38    43   0.04450  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
   33    43    38    41  15.00000 -1.0 2.0
   42    45    41    38  15.00000 -1.0 2.0
   66    67    62    55   4.00000 -1.0 2.0
   69    70    66    62   4.00000 -1.0 2.0
   73    87    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   83    79    78    73   1.10000 -1.0 2.0
   85    84    83    78   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   85    67    87    69   4.00000 -1.0 2.0
   68    62    67    87   1.00000 -1.0 2.0
   49    58    57    63  15.00000 -1.0 2.0
   64    65    63    57  15.00000 -1.0 2.0
   49    61    59    60  10.50000 -1.0 2.0
END
