* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    158    265     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    87.88841    43.82798
    3     1 S   H    _H1_     3     1.02074    33.10604   173.88743
    4     1 S   H    _H2_     4     1.02058    92.56893   -64.84041
    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     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C21    36     1.84083   100.57235   159.95867
   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   CT   _C19    37     1.51526   111.61393   -79.94113
   38    37 S   HC   _H6_    38     1.09408   112.15817    60.21419
   39    33 S   CT   _C22    76     1.53391   107.62212   158.50849
   40    39 S   HC   _H17    77     1.09600   112.08380   -57.87632
   41    39 S   HC   _H18    78     1.09648   111.80558    64.63414
   42    39 S   HC   _H19    79     1.09711   110.23384  -177.98074
   43    33 S   OH   _O35    80     1.43015   110.87193    41.30951
   44    43 S   HO   _H20    81     0.97215   107.39944   176.96604
   45    37 S   CO4  _C20    39     1.51955   111.76842  -177.09283
   46    45 S   O    _O34    40     1.22401   124.67698   -49.66694
   47    45 S   CT1  _C17    41     1.50172   110.78822   136.05176
   48    47 S   HC   _H5_    42     1.09579   109.95978    94.31777
   49    47 S   CTH  _C16    43     1.50865   121.07816  -128.89023
   50    49 S   HC   _H4_    44     1.09892   110.38451    35.04465
   51    47 S   N    _N5_    65     1.46244    99.01030   -18.78547
   52    49 S   C5M  _C14    45     1.47129   119.69127   -91.68854
   53    37 S   C    _C18    66     1.51519   111.55089   -61.82870
   54    53 S   O    _O33    67     1.22101   125.53760    50.72951
   55    52 S   CR3  _C13    46     1.44237   116.45504  -146.97810
   56    52 S   C5N  _C15    57     1.45630   138.25606    45.80420
   57    56 S   HA   _H15    58     1.09312   124.59623   -10.36675
   58    55 S   CA   _C8_    47     1.37954   128.04196     6.82743
   59    58 S   CA   _C9_    48     1.39182   115.41148  -178.48910
   60    59 S   HA   _H12    49     1.08711   120.47193   179.20034
   61    58 S   CT   _C7_    59     1.51076   117.86618    -0.75069
   62    61 S   HC   _H10    60     1.09568   110.00409   144.10961
   63    61 S   HC   _H11    61     1.09538   108.11928   -97.47632
   64    59 S   CA   _C10    50     1.42238   120.32003    -0.78957
   65    64 S   HA   _H13    51     1.08894   118.74074  -179.77883
   66    49 S   CT   _C6_    62     1.57766    99.57720   150.60411
   67    66 S   HC   _H3_    63     1.10571   106.91475    67.97220
   68    64 S   CA   _C11    52     1.40875   122.20967     0.64771
   69    68 S   HA   _H14    53     1.08352   120.91938   179.42870
   70    66 S   CP1  _C5_    64     1.55486   102.85404   -44.67366
   71    55 S   CN   _C12    54     1.38716   106.68188  -172.22532
   72    70 S   CT   _C4_    68     1.53021   111.46088   146.84993
   73    72 S   HC   _H7_    69     1.08728   109.68999   179.98022
   74    72 S   HC   _H8_    70     1.08788   109.65565    59.95926
   75    72 S   HC   _H9_    71     1.08842   109.68074   -60.00663
   76    70 S   CT   _C23    72     1.53533   112.35725   -89.39494
   77    76 S   HC   _H21    73     1.08552   109.45806  -180.00000
   78    76 S   HC   _H22    74     1.08603   109.37795    60.03195
   79    76 S   HC   _H23    75     1.08667   109.38785   -59.96890
   80    71 S   NA   _N4_    55     1.40527   109.17049     0.38866
   81    80 S   H    _H16    56     1.01785   123.48602   179.21019
  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  11   5   4   3
  14   2   1   1  16   8   7   3   2   1   3   1  11   5  15   7
  18   8  15  13   5   1  15   7   3  13  10   4   9   4   3   5
   3  10   3   4   2   8   2   7   3   2   1   3   2   1   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    53    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    47    51    53    54    39    40    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    47    48    49    70    51    53    54    39    40    41    42    43    44  
   45    46    47    51    53    54    39    43  
   40    41    42    43    44    45    53  
   41    42    43  
   42    43  
   43  
   44    45    53  
    0  
   46    47    48    49    50    52    66    70    51    53    54  
   47    48    49    51    53  
   48    49    50    52    55    56    61    66    67    70    51    53    54    72    76  
   49    50    52    66    70    51    53  
   50    52    55    58    71    80    56    57    61    62    63    66    67    70    51    53    72    76  
   52    55    56    61    66    67    70    51  
   53    54    72    73    74    75    76    77    78    79    52    61    66    67    70  
   55    58    59    68    71    80    81    56    57    61    66    67    70  
   54    72    76    66    70  
   70  
   58    59    60    64    68    69    71    80    81    56    57    61    62    63    66  
   57    66    58    68    71    80    81  
   71    80    81  
   59    60    64    65    68    71    80    61    62    63    66    67    70  
   60    64    65    68    69    71    61    62    63    66  
   64    65    68    61  
   62    63    66    67    70    72    76    64    71  
   63    66    67    70  
   66    67    70  
   65    68    69    71    80  
   68    69    71  
   67    70    72    73    74    75    76    77    78    79  
   70    72    76  
   69    71    80    81  
   71    80  
   72    73    74    75    76    77    78    79  
   80    81  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81  
    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   0.432500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700   0.075000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.5500   0.0700  -0.055000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.070000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.130000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.570000   1.8650   1.6500   0.001000000  -0.511443539
   81   0.5000   0.0300   0.420000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    39   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    45   317.000  1.522
   37    53   317.000  1.522
   45    46   570.000  1.229
   45    47   255.000  1.522
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   337.000  1.449
   49    50   340.000  1.090
   49    52   317.000  1.495
   49    66   268.000  1.529
   52    55   440.000  1.409
   52    56   546.000  1.352
   55    58   490.000  1.398
   55    71   480.000  1.377
   58    59   469.000  1.400
   58    61   317.000  1.510
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    71   485.000  1.374
   71    80   450.000  1.364
   80    81   434.000  1.010
   80    56   427.000  1.381
   56    57   367.000  1.080
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   70    51   337.000  1.449
   70    72   268.000  1.529
   70    76   268.000  1.529
   51    53   490.000  1.335
   53    54   570.000  1.229
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   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    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  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    45    63.00000  111.10000
   33    37    53    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    55.00000  108.50000
   37    45    46    80.00000  120.40000
   37    45    47    65.00000  117.09000
   37    53    51    70.00000  116.60000
   37    53    54    80.00000  120.40000
   45    37    38    35.00000  109.50000
   45    47    48    45.00000  110.09800
   45    47    49    63.00000  111.10000
   45    47    51    80.00000  110.29000
   47    45    46    75.00000  123.42600
   47    49    50    37.50000  110.70000
   47    49    52    63.00000  115.60000
   47    49    66    58.35000  112.70000
   47    51    70    50.00000  118.00000
   47    51    53    50.00000  121.90000
   49    47    48    37.50000  110.70000
   49    52    55    80.00000  105.07000
   49    52    56    70.00000  125.00000
   49    66    61    58.35000  112.70000
   49    66    67    37.50000  110.70000
   49    66    70    58.35000  112.70000
   52    49    50    35.00000  109.50000
   52    55    58    60.00000  130.80000
   52    55    71    70.00000  117.96600
   52    56    80    70.00000  108.70000
   52    56    57    35.00000  120.00000
   55    58    59    70.00000  112.88000
   55    58    61    80.00000  105.07000
   55    71    68    70.00000  112.88000
   55    71    80    90.00000  107.25500
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    66    70.00000  112.17500
   59    64    65    35.00000  120.00000
   59    64    68    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    71    65.00000  119.97700
   68    64    65    35.00000  120.00000
   68    71    80    65.00000  126.13900
   71    55    58    70.00000  117.96600
   71    68    69    40.00000  120.02000
   71    80    81    35.00000  121.00000
   71    80    56    70.00000  114.00000
   80    56    57    35.00000  121.60000
   56    52    55    75.00000  116.72000
   56    80    81    35.00000  120.00000
   61    58    59    70.00000  120.00000
   61    66    67    37.50000  110.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    49    50    37.50000  110.70000
   66    49    52    70.00000  112.17500
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    70    51    80.00000  109.70000
   66    70    72    58.35000  112.70000
   66    70    76    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    51    53    50.00000  121.90000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   51    47    48    35.00000  109.50000
   51    47    49    80.00000  109.70000
   51    53    54    80.00000  122.90000
   53    37    38    35.00000  109.50000
   53    37    45    70.00000  107.85200
   72    70    51    80.00000  109.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    51    80.00000  109.70000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    50.00000  109.50000
   43    33    39    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    37    53   0.56750  1.0 1.0
   29    33    37    53  -0.07550 -1.0 2.0
   29    33    37    53   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.35600  1.0 1.0
   29    33    43    44  -0.10750 -1.0 2.0
   29    33    43    44  -0.54400  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    47   0.60050  1.0 1.0
   33    37    45    47   0.05600 -1.0 2.0
   33    37    45    47   0.26150  1.0 3.0
   33    37    53    51   1.39750  1.0 1.0
   33    37    53    51  -0.07950 -1.0 2.0
   33    37    53    51  -0.18750  1.0 3.0
   33    37    53    54   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44  -0.11600  1.0 1.0
   37    33    43    44  -0.09450 -1.0 2.0
   37    33    43    44   0.21250  1.0 3.0
   37    45    47    48   0.00000  1.0 1.0
   37    45    47    49   0.60050  1.0 1.0
   37    45    47    49   0.05600 -1.0 2.0
   37    45    47    49   0.26150  1.0 3.0
   37    45   -47    51   0.65300  1.0 1.0
   37    45   -47    51  -0.03850 -1.0 2.0
   37    45   -47    51   0.33900  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    47   0.00000  1.0 1.0
   38    37    53    51   0.00000  1.0 1.0
   38    37    53    54   0.00000  1.0 1.0
   45    37   -53    51   0.00000  1.0 1.0
   45    37    53    54   0.30150 -1.0 2.0
   45    47    49    50  -0.03800  1.0 3.0
   45    47    49    52  -0.52900  1.0 1.0
   45    47    49    52  -0.31250 -1.0 2.0
   45    47    49    66  -0.84850  1.0 1.0
   45    47    49    66  -0.22800 -1.0 2.0
   45    47    49    66   0.29250  1.0 3.0
   45    47    51    70  -0.86850  1.0 1.0
   45    47    51    70   0.62550 -1.0 2.0
   45    47    51    70  -1.75050  1.0 3.0
   45    47   -51    53  -0.29800  1.0 1.0
   45    47   -51    53   0.13950 -1.0 2.0
   45    47   -51    53  -2.45650  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    51   0.00000  1.0 1.0
   47    49    52    55   0.00000  1.0 1.0
   47    49    52    56  -0.35700  1.0 1.0
   47    49    66    61   0.56750  1.0 1.0
   47    49    66    61  -0.07550 -1.0 2.0
   47    49    66    61   0.20000  1.0 3.0
   47    49    66    67   0.15000  1.0 3.0
   47    49   -66    70   0.65000  1.0 1.0
   47    49   -66    70  -0.02500 -1.0 2.0
   47    49   -66    70   0.10000  1.0 3.0
   47    51   -53    37   1.15000  1.0 1.0
   47    51   -53    37   3.04450 -1.0 2.0
   47    51    53    54   3.04450 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.23100  1.0 3.0
   48    47    49    66   0.15000  1.0 3.0
   48    47    51    70   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   49    47   -51    70   2.37650  1.0 1.0
   49    47   -51    70  -0.36700 -1.0 2.0
   49    47    51    53   0.25950  1.0 1.0
   49    47    51    53   0.43850 -1.0 2.0
   49    47    51    53   2.61650  1.0 3.0
   49    52    55    58   3.62500 -1.0 2.0
   49    52    55    71   3.62500 -1.0 2.0
   49    52    56    80   6.52500 -1.0 2.0
   49    52    56    57   6.52500 -1.0 2.0
   49    66   -70    51   0.42250  1.0 1.0
   49    66   -70    51  -0.48100 -1.0 2.0
   49    66   -70    51   0.35650  1.0 3.0
   49    66    70    72   0.56750  1.0 1.0
   49    66    70    72  -0.07550 -1.0 2.0
   49    66    70    72   0.20000  1.0 3.0
   49    66    70    76   0.56750  1.0 1.0
   49    66    70    76  -0.07550 -1.0 2.0
   49    66    70    76   0.20000  1.0 3.0
   50    49    52    55   0.00000  1.0 1.0
   50    49    52    56  -0.24000  1.0 3.0
   50    49    66    61   0.15000  1.0 3.0
   50    49    66    67   0.15000  1.0 3.0
   50    49    66    70   0.15000  1.0 3.0
   52    49    66    61  -0.03700  1.0 1.0
   52    49    66    61   0.37200 -1.0 2.0
   52    49    66    61  -0.47300  1.0 3.0
   52    49    66    67   0.43200  1.0 3.0
   52    49    66    70  -0.03700  1.0 1.0
   52    49    66    70   0.37200 -1.0 2.0
   52    49    66    70  -0.47300  1.0 3.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    61   3.62500 -1.0 2.0
   52    55    71    68   3.62500 -1.0 2.0
   52    55   -71    80   3.62500 -1.0 2.0
   55    52   -56    80   3.62500 -1.0 2.0
   55    52    56    57   3.62500 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    64   3.62500 -1.0 2.0
   55    58    61    62   0.00000  1.0 1.0
   55    58    61    63   0.00000  1.0 1.0
   55    58    61    66   0.04150 -1.0 2.0
   55    71    80    81   2.00000 -1.0 2.0
   55    71   -80    56   3.62500 -1.0 2.0
   58    55    71    68   3.62500 -1.0 2.0
   58    55    71    80   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    59   -64    68   3.62500 -1.0 2.0
   58    61   -66    49  -0.03700  1.0 1.0
   58    61   -66    49   0.37200 -1.0 2.0
   58    61   -66    49  -0.47300  1.0 3.0
   58    61    66    67   0.43200  1.0 3.0
   58    61    66    70  -0.03700  1.0 1.0
   58    61    66    70   0.37200 -1.0 2.0
   58    61    66    70  -0.47300  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    66   0.04150 -1.0 2.0
   59    64    68    69   3.62500 -1.0 2.0
   59    64    68    71   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   64    68   -71    55   3.62500 -1.0 2.0
   64    68    71    80   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    71    80    81   2.00000 -1.0 2.0
   68    71    80    56   3.62500 -1.0 2.0
   69    68    71    55   3.62500 -1.0 2.0
   69    68    71    80   3.62500 -1.0 2.0
   71    55   -58    59   3.62500 -1.0 2.0
   71    55    58    61   3.62500 -1.0 2.0
   71    80   -56    52   3.62500 -1.0 2.0
   71    80    56    57   3.62500 -1.0 2.0
   81    80    56    52   1.50000 -1.0 2.0
   81    80    56    57   1.50000 -1.0 2.0
   56    52    55    58   3.62500 -1.0 2.0
   56    52   -55    71   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    70    51   0.42250  1.0 1.0
   61    66    70    51  -0.48100 -1.0 2.0
   61    66    70    51   0.35650  1.0 3.0
   61    66    70    72   0.56750  1.0 1.0
   61    66    70    72  -0.07550 -1.0 2.0
   61    66    70    72   0.20000  1.0 3.0
   61    66    70    76   0.56750  1.0 1.0
   61    66    70    76  -0.07550 -1.0 2.0
   61    66    70    76   0.20000  1.0 3.0
   62    61    66    49   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   63    61    66    49   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    70   0.15000  1.0 3.0
   66    49   -52    55   0.04150 -1.0 2.0
   66    49    52    56   0.04150 -1.0 2.0
   66    70   -51    47   1.42950  1.0 1.0
   66    70   -51    47   1.02900 -1.0 2.0
   66    70   -51    47  -5.63300  1.0 3.0
   66    70    51    53   0.25950  1.0 1.0
   66    70    51    53   0.43850 -1.0 2.0
   66    70    51    53   2.61650  1.0 3.0
   66    70    72    73   0.15000  1.0 3.0
   66    70    72    74   0.15000  1.0 3.0
   66    70    72    75   0.15000  1.0 3.0
   66    70    76    77   0.15000  1.0 3.0
   66    70    76    78   0.15000  1.0 3.0
   66    70    76    79   0.15000  1.0 3.0
   67    66    70    51   0.23200  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    76   0.15000  1.0 3.0
   70    51    53    37   1.15000  1.0 1.0
   70    51    53    37   3.04450 -1.0 2.0
   70    51    53    54   3.04450 -1.0 2.0
   51    47    49    50   0.23200  1.0 3.0
   51    47    49    52  -0.64700  1.0 1.0
   51    47    49    52   0.28100 -1.0 2.0
   51    47    49    52   0.04700  1.0 3.0
   51    47   -49    66   0.42250  1.0 1.0
   51    47   -49    66  -0.48100 -1.0 2.0
   51    47   -49    66   0.35650  1.0 3.0
   51    70    72    73   0.23200  1.0 3.0
   51    70    72    74   0.23200  1.0 3.0
   51    70    72    75   0.23200  1.0 3.0
   51    70    76    77   0.23200  1.0 3.0
   51    70    76    78   0.23200  1.0 3.0
   51    70    76    79   0.23200  1.0 3.0
   53    37    45    46   0.30150 -1.0 2.0
   53    37   -45    47   0.65300  1.0 1.0
   53    37   -45    47  -0.03850 -1.0 2.0
   53    37   -45    47   0.33900  1.0 3.0
   72    70    51    47   1.42950  1.0 1.0
   72    70    51    47   1.02900 -1.0 2.0
   72    70    51    47  -5.63300  1.0 3.0
   72    70    51    53   0.25950  1.0 1.0
   72    70    51    53   0.43850 -1.0 2.0
   72    70    51    53   2.61650  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    51    47   1.42950  1.0 1.0
   76    70    51    47   1.02900 -1.0 2.0
   76    70    51    47  -5.63300  1.0 3.0
   76    70    51    53   0.25950  1.0 1.0
   76    70    51    53   0.43850 -1.0 2.0
   76    70    51    53   2.61650  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    37    53  -0.95700  1.0 1.0
   39    33    37    53  -0.18200 -1.0 2.0
   39    33    37    53   0.29450  1.0 3.0
   39    33    43    44  -0.11600  1.0 1.0
   39    33    43    44  -0.09450 -1.0 2.0
   39    33    43    44   0.21250  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    45  -0.09450  1.0 1.0
   43    33    37    45  -1.12950 -1.0 2.0
   43    33    37    45   0.54000  1.0 3.0
   43    33    37    53  -0.09450  1.0 1.0
   43    33    37    53  -1.12950 -1.0 2.0
   43    33    37    53   0.54000  1.0 3.0
   43    33    39    40   0.23400  1.0 3.0
   43    33    39    41   0.23400  1.0 3.0
   43    33    39    42   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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    45    46  10.50000 -1.0 2.0
   55    56    52    49   4.00000 -1.0 2.0
   58    71    55    52   4.00000 -1.0 2.0
   59    61    58    55   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   68    65    64    59   1.10000 -1.0 2.0
   71    69    68    64   1.10000 -1.0 2.0
   68    80    71    55   4.00000 -1.0 2.0
   81    71    80    56   1.00000 -1.0 2.0
   80    57    56    52   1.10000 -1.0 2.0
   70    53    51    47   1.00000 -1.0 2.0
   37    51    53    54  10.50000 -1.0 2.0
END
