* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    235     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121   100.15020   -48.82336
    3     1 S   H    _H1_     3     1.02088    77.67536    58.27926
    4     1 S   H    _H2_     4     1.02147    37.55407  -156.32855
    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   _C12    36     1.80014    98.84355  -158.17852
   34    33 S   HC   _H7_    37     1.10228   101.07842   -46.80088
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C11    38     1.53028   120.49465  -159.99966
   39    38 S   HC   _H6_    39     1.09795   107.59285    79.24684
   40    38 S   CO4  _C15    40     1.51965    98.91795  -169.02354
   41    40 S   O    _O34    41     1.22260   125.14387  -159.66050
   42    38 S   CT   _C10    64     1.54555   126.75496   -50.85373
   43    42 S   HC   _H13    65     1.10442   102.75789   176.74406
   44    42 S   HC   _H14    66     1.08908   112.13432   -75.58837
   45    40 S   OS   _O33    42     1.37053   110.99531    23.15929
   46    33 S   CT   _C13    43     1.52996   118.98626    65.94755
   47    46 S   HC   _H8_    44     1.09781   107.96866   -81.04391
   48    46 S   CT   _C14    45     1.54812   122.33309    41.90749
   49    48 S   HC   _H15    46     1.09765   108.89210   -68.43794
   50    48 S   HC   _H16    47     1.09765   108.90929   176.86362
   51    48 S   CM   _C5_    48     1.51021   114.61232    55.36956
   52    51 S   CM   _C6_    49     1.34461   118.06673   -88.88104
   53    52 S   HC   _H12    50     1.08777   117.83017   -12.66445
   54    51 S   CT   _C4_    78     1.50314   116.45454    87.09837
   55    54 S   HC   _H9_    79     1.08702   109.36381   -85.66606
   56    54 S   HC   _H10    80     1.08683   109.36818   154.16063
   57    54 S   HC   _H11    81     1.08741   109.34796    34.53633
   58    52 S   CT   _C7_    51     1.49786   127.09667   153.94512
   59    58 S   HC   _H3_    52     1.09528   113.18366     9.52720
   60    58 S   CT   _C8_    53     1.53591   109.00618  -115.55333
   61    60 S   HC   _H4_    54     1.09814   110.25747   -41.70411
   62    60 S   CM   _C20    55     1.50095    98.29395  -150.21163
   63    60 S   CT   _C9_    62     1.55152   117.44380    83.42368
   64    63 S   HC   _H5_    63     1.09821   107.27543    89.68672
   65    62 S   CO4  _C22    56     1.48151   108.23144    26.59657
   66    65 S   O    _O37    57     1.21704   127.14190   167.18191
   67    62 S   CM   _C21    59     1.33510   130.98731  -151.89275
   68    67 S   HC   _H22    60     1.08405   120.64741    -1.63291
   69    67 S   HC   _H23    61     1.08333   120.76013   178.38942
   70    63 S   OS   _O35    67     1.42771   110.23692  -155.40407
   71    58 S   OS   _O38    58     1.43600   109.40201   129.35907
   72    70 S   CO4  _C16    68     1.36298   115.81438  -145.77333
   73    72 S   O    _O36    69     1.22325   125.70953     0.00000
   74    72 S   CM   _C17    70     1.48882   109.71747  -179.97202
   75    74 S   CM   _C18    71     1.34079   117.37885  -150.03960
   76    75 S   HC   _H17    72     1.08512   120.84657  -179.97202
   77    75 S   HC   _H18    73     1.08529   122.62670     0.07662
   78    74 S   CT   _C19    74     1.49875   120.31248    29.96956
   79    78 S   HC   _H19    75     1.09456   110.56880   -89.95669
   80    78 S   HC   _H20    76     1.09509   110.54113    30.46706
   81    78 S   HC   _H21    77     1.09510   111.92801   150.23930
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   8   9   3  12   5   4   6   7   4  10
   4   3  10  13   5   4   2   1   1  11   6  12   7   9   8   2
   5   2   3   1   1   5   1   9   3   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    47    48    49    50    51    63    42    43    44  
   38    39    40    45    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    60    63    64    42    43    44    70  
   40    41    45    46    63    42    43    44  
   41    45    46    47    48    63    42    43    44  
   45    46    42  
   43    44    70    72    45    46    58    60    61    62    63    64  
   44    70    60    63    64  
   70    60    63    64  
   46    47    48    49    50    51  
   47    48    49    50    51    52    54  
   48    49    50    51  
   49    50    51    52    53    58    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    71    54    55    56    57  
   53    58    59    60    61    62    65    71    63    54    55    56    57  
   58    59    60    71    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    65    66    71    67    63    64    70  
   60    61    62    65    71    63  
   61    62    65    66    71    67    68    69    63    64    70    72  
   62    65    71    67    63    64    70  
   65    66    71    67    68    69    63    64    70  
   64    70    72    73    74    65    67    71  
   70    72  
   66    71    67    68    69  
   71    67  
   68    69    71  
   69  
    0  
   72    73    74    75    78  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   214.000  1.327
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    71   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    71   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    42   268.000  1.529
   63    70   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    46    45    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    81.00000  111.40000
   38    42    63    58.35000  112.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    45    46    83.00000  116.90000
   45    40    41    83.00000  123.40000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  124.00000
   48    51    54    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    71    85.00000  110.90400
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    71    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    42    58.35000  112.70000
   60    63    70    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    71    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   71    58    59    35.00000  109.50000
   71    58    60    50.00000  109.50000
   71    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    42    43    37.50000  110.70000
   63    42    44    37.50000  110.70000
   63    70    72    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    63    64    37.50000  110.70000
   44    42    43    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    42    50.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    45   0.36750  1.0 3.0
   33    38    42    63   0.56750  1.0 1.0
   33    38    42    63  -0.07550 -1.0 2.0
   33    38    42    63   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.34400  1.0 1.0
   33    46    48    51   0.09450 -1.0 2.0
   33    46    48    51   0.11100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    45   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    45   0.62750  1.0 1.0
   38    33   -46    45  -0.30950 -1.0 2.0
   38    33   -46    45   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -45    46   1.63150  1.0 1.0
   38    40   -45    46   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    63   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   40    38    42    63  -0.95700  1.0 1.0
   40    38    42    63  -0.18200 -1.0 2.0
   40    38    42    63   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    45   -46    33  -0.25900  1.0 1.0
   40    45   -46    33  -0.47000 -1.0 2.0
   40    45   -46    33   0.11750  1.0 3.0
   40    45    46    47   0.08050  1.0 3.0
   40    45    46    48  -0.25900  1.0 1.0
   40    45    46    48  -0.47000 -1.0 2.0
   40    45    46    48   0.11750  1.0 3.0
   41    40    45    46   3.00000 -1.0 2.0
   45    46    48    49   0.23400  1.0 3.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51   0.61850  1.0 1.0
   45    46    48    51  -0.22750 -1.0 2.0
   45    46    48    51   0.15300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.56750  1.0 1.0
   46    33    38    42  -0.07550 -1.0 2.0
   46    33    38    42   0.20000  1.0 3.0
   46    48    51    52   0.09850  1.0 1.0
   46    48    51    52   0.15250 -1.0 2.0
   46    48    51    52  -0.50650  1.0 3.0
   46    48    51    54   0.46850  1.0 1.0
   46    48    51    54   0.08550 -1.0 2.0
   46    48    51    54   0.09800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51    52    58   7.00000 -1.0 2.0
   48    51    54    55   0.34800  1.0 3.0
   48    51    54    56   0.34800  1.0 3.0
   48    51    54    57   0.34800  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   0.34800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    71   0.39000  1.0 1.0
   51    52    58    71  -0.05800 -1.0 2.0
   51    52    58    71  -0.55150  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.31000  1.0 1.0
   52    58    60    62   0.14700 -1.0 2.0
   52    58    60    62   0.07550  1.0 3.0
   52    58    60    63   0.34400  1.0 1.0
   52    58    60    63   0.09450 -1.0 2.0
   52    58    60    63   0.11100  1.0 3.0
   52    58    71    65  -0.82050  1.0 1.0
   52    58    71    65   0.00600 -1.0 2.0
   52    58    71    65   0.04400  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    71   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    42   0.56750  1.0 1.0
   58    60    63    42  -0.07550 -1.0 2.0
   58    60    63    42   0.20000  1.0 3.0
   58    60    63    70   0.62750  1.0 1.0
   58    60    63    70  -0.30950 -1.0 2.0
   58    60    63    70   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    71    65   0.08050  1.0 3.0
   60    58   -71    65  -0.25900  1.0 1.0
   60    58   -71    65  -0.47000 -1.0 2.0
   60    58   -71    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    71  -0.15000  1.0 1.0
   60    62   -65    71   0.89550 -1.0 2.0
   60    62   -65    71  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    42    38   0.56750  1.0 1.0
   60    63    42    38  -0.07550 -1.0 2.0
   60    63    42    38   0.20000  1.0 3.0
   60    63    42    43   0.15000  1.0 3.0
   60    63    42    44   0.15000  1.0 3.0
   60    63    70    72  -0.25900  1.0 1.0
   60    63    70    72  -0.47000 -1.0 2.0
   60    63    70    72   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    42   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    42   0.34400  1.0 1.0
   62    60    63    42   0.09450 -1.0 2.0
   62    60    63    42   0.11100  1.0 3.0
   62    60    63    70   0.61850  1.0 1.0
   62    60    63    70  -0.22750 -1.0 2.0
   62    60    63    70   0.15300  1.0 3.0
   62    65   -71    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    71    58   3.00000 -1.0 2.0
   71    58    60    61   0.23400  1.0 3.0
   71    58   -60    62   0.61850  1.0 1.0
   71    58   -60    62  -0.22750 -1.0 2.0
   71    58   -60    62   0.15300  1.0 3.0
   71    58    60    63   0.62750  1.0 1.0
   71    58    60    63  -0.30950 -1.0 2.0
   71    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    71  -0.56150  1.0 1.0
   67    62    65    71   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    72    73   3.00000 -1.0 2.0
   63    70    72    74   2.00000 -1.0 2.0
   64    63    42    38   0.15000  1.0 3.0
   64    63    42    43   0.15000  1.0 3.0
   64    63    42    44   0.15000  1.0 3.0
   64    63    70    72   0.08050  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.36750  1.0 3.0
   42    63    70    72  -0.25900  1.0 1.0
   42    63    70    72  -0.47000 -1.0 2.0
   42    63    70    72   0.11750  1.0 3.0
   70    63    42    38   0.62750  1.0 1.0
   70    63    42    38  -0.30950 -1.0 2.0
   70    63    42    38   0.27300  1.0 3.0
   70    63    42    43   0.23400  1.0 3.0
   70    63    42    44   0.23400  1.0 3.0
   70    72    74    75  -0.56150  1.0 1.0
   70    72    74    75   2.19150 -1.0 2.0
   70    72    74    78  -0.15000  1.0 1.0
   70    72    74    78   0.89550 -1.0 2.0
   70    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
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
   38    45    40    41  10.50000 -1.0 2.0
   48    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    71    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
