* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    28.77887    97.10021   -21.96899
    2     1 S   H    _HN1     2     1.02778    94.28666   -83.16965
    3     1 S   H    _H1_     3     1.02959    71.85470    24.72345
    4     1 S   H    _H2_     4     1.02836    44.44511   165.50412
    5     1 S   CT   _CA1     5     1.50122   149.94339   124.24579
    6     5 S   HC   _HA1     6     1.09576   105.22184    88.76278
    7     5 S   CO3  _C1_     7     1.53774   112.38826   -31.42305
    8     7 S   O2Z  _O11     8     1.26358   115.00120   -43.90463
    9     7 S   O2Z  _O12     9     1.26238   114.91315   135.23325
   10     5 S   CT   _CB1    10     1.53088   107.41987  -153.35407
   11    10 S   HC   HB11    11     1.09826   109.28758   -50.95300
   12    10 S   HC   HB12    12     1.09818   110.43228    65.57878
   13    10 S   CT   _CG1    13     1.53016   112.70100  -172.06234
   14    13 S   HC   HG11    14     1.09595   110.45884   -64.56216
   15    13 S   HC   HG12    15     1.09655   109.96561    54.66928
   16    13 S   C    _CD1    16     1.51822   112.29825   174.98554
   17    16 S   O    _OE1    17     1.22725   123.25857    -1.01104
   18    16 S   N    _N2_    18     1.38641   111.67564   179.21865
   19    18 S   H    _HN2    19     1.01585   119.01619     1.14910
   20    18 S   CT1  _CA2    20     1.46137   123.32915   179.29114
   21    20 S   HC   _HA2    21     1.09737   109.45028    -5.31581
   22    20 S   C    _C2_    22     1.53484   108.36521  -120.93086
   23    22 S   O    _O2_    23     1.23041   122.21056  -144.36381
   24    20 S   CT   _CB2    32     1.53496   111.78363   116.77697
   25    24 S   HC   HB21    33     1.09502   109.48041    55.89439
   26    24 S   HC   HB22    34     1.09298   109.25389   174.57472
   27    22 S   N    _N3_    24     1.38486   113.46398    42.90236
   28    27 S   H    _HN3    25     1.01506   119.00908    -0.47230
   29    24 S   S    _SG2    35     1.83104   111.58341   -64.54590
   30    27 S   CT   _CA3    26     1.45434   123.32720   175.08231
   31    30 S   HC   HA31    27     1.09529   109.17714    26.59638
   32    30 S   HC   HA32    28     1.09495   107.17607   143.58328
   33    29 S   CT   _C12    36     1.90257   102.66412  -168.19376
   34    30 S   CO3  _C3_    29     1.52908   112.98967   -96.81508
   35    34 S   O2Z  _O31    30     1.26408   115.32056   -47.42108
   36    34 S   O2Z  _O32    31     1.26343   115.03198   133.43072
   37    33 S   CO4  _C11    37     1.53263   105.23210   -53.32520
   38    37 S   O    _O34    38     1.23082   123.12093   -74.35606
   39    33 S   CT   _C13    51     1.56224   107.35869    67.38916
   40    39 S   HC   _H11    52     1.09709   109.43521   106.79318
   41    39 S   HC   _H12    53     1.09750   109.23590    -5.23880
   42    33 S   CT   _C16    70     1.58351   106.59428  -172.64115
   43    37 S   CM   _C10    39     1.47746   119.39627   101.07516
   44    43 S   HC   _H10    40     1.08611   115.80949  -158.09587
   45    42 S   CO4  _C18    71     1.52504   110.77584   173.27649
   46    45 S   O    _O35    72     1.22775   124.27500   116.64804
   47    45 S   HC   _H19    73     1.10402   115.68898   -64.55791
   48    42 S   CT   _C17    74     1.53911   117.63846    50.99354
   49    48 S   HC   _H16    75     1.09423   112.29797   -65.84249
   50    48 S   HC   _H17    76     1.09193   113.27950    58.29659
   51    48 S   HC   _H18    77     1.09825   110.13756   177.34251
   52    42 S   OH   _O36    78     1.43537   108.87419   -70.02279
   53    52 S   HO   _H20    79     0.97303   108.28142  -176.95342
   54    43 S   CM   _C9_    41     1.34240   123.17991    22.50547
   55    54 S   C3T  _C8_    42     1.47966   120.05896  -179.89721
   56    55 S   HC   _H6_    43     1.08742   113.68033    28.53730
   57    55 S   C3T  _C7_    44     1.50283   121.15857   172.24759
   58    57 S   HC   _H5_    45     1.08164   119.16764  -143.34442
   59    57 S   CT   _C6_    46     1.49309   121.22424     7.63844
   60    59 S   HC   _H4_    47     1.09886   108.43107  -143.47622
   61    55 S   O3T  _O33    69     1.43516   121.80830  -117.96191
   62    59 S   CT   _C5_    48     1.54773   111.29000   -26.12302
   63    62 S   HC   _H3_    49     1.10168   105.40767   -67.26588
   64    59 S   OS   _O37    62     1.44211   111.19664    97.93711
   65    54 S   CT   _C14    50     1.52978   121.31104     3.75734
   66    62 S   CT   _C4_    58     1.53950   109.23804   178.70699
   67    66 S   HC   _H7_    59     1.09381   112.20078   -68.70548
   68    66 S   HC   _H8_    60     1.09357   111.77877   169.57840
   69    66 S   HC   _H9_    61     1.09598   110.32373    51.08782
   70    64 S   CO4  _C19    63     1.36259   117.18627    77.00558
   71    70 S   O    _O38    64     1.22315   126.41282     0.30519
   72    65 S   CT   _C15    54     1.54651   107.03283    87.14572
   73    72 S   HC   _H13    55     1.09447   111.88500  -174.82661
   74    72 S   HC   _H14    56     1.09292   112.67092    63.67783
   75    72 S   HC   _H15    57     1.09368   111.54921   -54.48723
   76    70 S   CT   _C20    65     1.49823   109.44112  -179.61743
   77    76 S   HC   _H21    66     1.09291   109.82403   -60.86340
   78    76 S   HC   _H22    67     1.09376   109.37155  -179.92598
   79    76 S   HC   _H23    68     1.09293   109.80451    61.01624
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  13   5  18   6   5  11   9   3   8   3   2   5
   3   2   1   1   1  14  10   5  10   5  14   7   3  12   7   8
   8   4   2   1   1   5   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    65    39    40    41    42    45    48    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    54    62    65    39    40    41    72    42    45    46    47    48    49    50    51    52    53  
   35    36  
   36  
    0  
   38    43    44    54    55    65    39    40    41    42    45    48    52  
   43    44    54    39    42  
   40    41    72    73    74    75    66    42    45    48    52    43    54    55    59    62    63    65  
   41    72    42    54    62    65  
   72    42    54    62    65  
   45    46    47    48    49    50    51    52    53    43    65  
   44    54    55    56    57    62    65    72    61  
   54    55    65  
   46    47    48    49    50    51    52    53  
   47    48    52  
   48    52  
   49    50    51    52    53  
   50    51    52  
   51    52  
   52  
   53  
    0  
   55    56    57    58    59    62    63    65    72    73    74    75    66    61  
   56    57    58    59    60    62    65    72    64    61  
   57    58    59    65    61  
   58    59    60    62    63    65    66    64    70    61  
   59    60    62    64    61  
   60    62    63    65    72    66    67    68    69    64    70    71    76    61  
   62    63    65    66    64    70    61  
   62    64    65  
   63    65    72    73    74    75    66    67    68    69    64    70  
   65    72    66    67    68    69    64  
   70    71    76    77    78    79    65    66  
   72    73    74    75    66    67    68    69  
   67    68    69    72  
   68    69  
   69  
    0  
   71    76    77    78    79  
   76    77    78    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   340.000  1.080
   43    54   549.000  1.340
   54    55   305.000  1.480
   54    65   317.000  1.510
   55    56   340.000  1.088
   55    57   260.000  1.509
   55    61   335.000  1.432
   57    58   340.000  1.088
   57    59   275.000  1.510
   57    61   335.000  1.432
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    66   268.000  1.529
   65    39   268.000  1.529
   65    72   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   64    70   214.000  1.327
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   42    45   317.000  1.522
   42    48   268.000  1.529
   42    52   320.000  1.410
   45    46   570.000  1.229
   45    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    45    63.00000  111.10000
   33    42    48    58.35000  112.70000
   33    42    52    50.00000  109.50000
   37    43    44    40.00000  117.72500
   37    43    54    65.00000  118.96000
   43    37    38    80.00000  123.72100
   43    54    55    55.00000  125.06700
   43    54    65    70.00000  124.00000
   54    43    44    35.00000  120.00000
   54    55    56    40.00000  112.45000
   54    55    57    60.00000  120.58800
   54    55    61    85.00000  114.23300
   54    65    62    70.00000  112.02700
   54    65    39    70.00000  112.02700
   54    65    72    70.00000  112.02700
   55    57    58    37.50000  117.20000
   55    57    59    60.00000  120.94000
   55    57    61    15.00000   60.43100
   55    61    57    15.00000   59.14900
   57    55    56    37.50000  117.20000
   57    59    60    45.00000  109.38400
   57    59    62    70.00000  112.37300
   57    59    64    50.00000  109.50000
   59    57    58    40.00000  115.04500
   59    62    63    37.50000  110.70000
   59    62    65    58.35000  112.70000
   59    62    66    58.35000  112.70000
   59    64    70    83.00000  116.90000
   62    59    60    37.50000  110.70000
   62    65    39    58.35000  112.70000
   62    65    72    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   65    54    55    65.00000  117.92700
   65    62    63    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    41    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   72    65    39    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    65    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    62    50.00000  109.50000
   64    70    71    83.00000  123.40000
   64    70    76    81.00000  111.40000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    55    56    50.00000  114.27700
   61    55    57    15.00000   60.43100
   61    57    58    50.00000  114.27700
   61    57    59    80.00000  116.47100
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    45    46    80.00000  120.40000
   42    45    47    35.00000  115.00000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   42    52    53    55.00000  108.50000
   47    45    46    35.00000  123.00000
   48    42    45    63.00000  111.10000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    42    45    90.00000  109.61100
   52    42    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.56750  1.0 1.0
   29    33    42    45  -0.07550 -1.0 2.0
   29    33    42    45   0.20000  1.0 3.0
   29    33    42    48   0.44750  1.0 1.0
   29    33    42    48  -0.17800 -1.0 2.0
   29    33    42    48   0.20200  1.0 3.0
   29    33    42    52   0.56750  1.0 1.0
   29    33    42    52  -0.07550 -1.0 2.0
   29    33    42    52   0.20000  1.0 3.0
   33    37    43    44   0.04550  1.0 1.0
   33    37    43    44   0.83000 -1.0 2.0
   33    37    43    44  -0.04000  1.0 3.0
   33    37    43    54  -0.33500  1.0 1.0
   33    37    43    54   1.06600 -1.0 2.0
   33    37    43    54  -0.14000  1.0 3.0
   33    42    45    46   0.30150 -1.0 2.0
   33    42    45    47   0.74550  1.0 1.0
   33    42    45    47  -0.00500 -1.0 2.0
   33    42    48    49   0.15000  1.0 3.0
   33    42    48    50   0.15000  1.0 3.0
   33    42    48    51   0.15000  1.0 3.0
   33    42    52    53  -0.11600  1.0 1.0
   33    42    52    53  -0.09450 -1.0 2.0
   33    42    52    53   0.21250  1.0 3.0
   37    33    39    65  -0.95700  1.0 1.0
   37    33    39    65  -0.18200 -1.0 2.0
   37    33    39    65   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    45   0.11950  1.0 1.0
   37    33    42    45   0.20300 -1.0 2.0
   37    33    42    45  -0.70800  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    33    42    52  -0.09450  1.0 1.0
   37    33    42    52  -1.12950 -1.0 2.0
   37    33    42    52   0.54000  1.0 3.0
   37    43    54    55   7.00000 -1.0 2.0
   37    43   -54    65   7.00000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    54   1.00000 -1.0 2.0
   43    54    55    56   0.00000  1.0 1.0
   43    54    55    57   0.09850  1.0 1.0
   43    54    55    57   0.15250 -1.0 2.0
   43    54    55    57  -0.50650  1.0 3.0
   43    54    55    61   0.39000  1.0 1.0
   43    54    55    61  -0.05800 -1.0 2.0
   43    54    55    61  -0.55150  1.0 3.0
   43    54    65    62   0.09850  1.0 1.0
   43    54    65    62   0.15250 -1.0 2.0
   43    54    65    62  -0.50650  1.0 3.0
   43    54    65    39   0.09850  1.0 1.0
   43    54    65    39   0.15250 -1.0 2.0
   43    54    65    39  -0.50650  1.0 3.0
   43    54    65    72   0.09850  1.0 1.0
   43    54    65    72   0.15250 -1.0 2.0
   43    54    65    72  -0.50650  1.0 3.0
   44    43    54    55   7.00000 -1.0 2.0
   44    43    54    65   7.00000 -1.0 2.0
   54    55    57    58   0.15000  1.0 3.0
   54    55    57    59   0.34400  1.0 1.0
   54    55    57    59   0.09450 -1.0 2.0
   54    55    57    59   0.11100  1.0 3.0
   54    55   -57    61   0.61850  1.0 1.0
   54    55   -57    61  -0.22750 -1.0 2.0
   54    55   -57    61   0.15300  1.0 3.0
   54    55   -61    57  -0.77900  1.0 1.0
   54    55   -61    57  -0.36900 -1.0 2.0
   54    55   -61    57   0.40400  1.0 3.0
   54    65   -39    33   0.34400  1.0 1.0
   54    65   -39    33   0.09450 -1.0 2.0
   54    65   -39    33   0.11100  1.0 3.0
   54    65    39    40   0.15000  1.0 3.0
   54    65    39    41   0.15000  1.0 3.0
   54    65    72    73   0.15000  1.0 3.0
   54    65    72    74   0.15000  1.0 3.0
   54    65    72    75   0.15000  1.0 3.0
   55    54    65    62   0.46850  1.0 1.0
   55    54    65    62   0.08550 -1.0 2.0
   55    54    65    62   0.09800  1.0 3.0
   55    54    65    39   0.46850  1.0 1.0
   55    54    65    39   0.08550 -1.0 2.0
   55    54    65    39   0.09800  1.0 3.0
   55    54    65    72   0.46850  1.0 1.0
   55    54    65    72   0.08550 -1.0 2.0
   55    54    65    72   0.09800  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57   -59    62   0.07850  1.0 1.0
   55    57   -59    62  -0.03950 -1.0 2.0
   55    57   -59    62   0.67350  1.0 3.0
   55    57    59    64  -0.26800  1.0 1.0
   55    57    59    64   0.69150 -1.0 2.0
   55    57    59    64  -0.48750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55   -57    61   0.23400  1.0 3.0
   56    55   -61    57   0.36800  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    65   0.47050  1.0 1.0
   57    59    62    65   0.03900 -1.0 2.0
   57    59    62    65   0.20100  1.0 3.0
   57    59    62    66   0.47050  1.0 1.0
   57    59    62    66   0.03900 -1.0 2.0
   57    59    62    66   0.20100  1.0 3.0
   57    59    64    70  -0.25900  1.0 1.0
   57    59    64    70  -0.47000 -1.0 2.0
   57    59    64    70   0.11750  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57   -61    55   0.36800  1.0 3.0
   59    57   -61    55   0.06250  1.0 1.0
   59    57   -61    55  -0.01100 -1.0 2.0
   59    57   -61    55   0.28050  1.0 3.0
   59    62   -65    54   0.34400  1.0 1.0
   59    62   -65    54   0.09450 -1.0 2.0
   59    62   -65    54   0.11100  1.0 3.0
   59    62    65    39   0.56750  1.0 1.0
   59    62    65    39  -0.07550 -1.0 2.0
   59    62    65    39   0.20000  1.0 3.0
   59    62    65    72   0.56750  1.0 1.0
   59    62    65    72  -0.07550 -1.0 2.0
   59    62    65    72   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   59    64    70    71   3.00000 -1.0 2.0
   59    64    70    76   1.63150  1.0 1.0
   59    64    70    76   2.92000 -1.0 2.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    70   0.08050  1.0 3.0
   62    59    64    70  -0.25900  1.0 1.0
   62    59    64    70  -0.47000 -1.0 2.0
   62    59    64    70   0.11750  1.0 3.0
   62    65    39    33   0.56750  1.0 1.0
   62    65    39    33  -0.07550 -1.0 2.0
   62    65    39    33   0.20000  1.0 3.0
   62    65    39    40   0.15000  1.0 3.0
   62    65    39    41   0.15000  1.0 3.0
   62    65    72    73   0.15000  1.0 3.0
   62    65    72    74   0.15000  1.0 3.0
   62    65    72    75   0.15000  1.0 3.0
   63    62    65    54   0.15000  1.0 3.0
   63    62    65    39   0.15000  1.0 3.0
   63    62    65    72   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   65    54    55    56   0.34800  1.0 3.0
   65    54   -55    57   0.46850  1.0 1.0
   65    54   -55    57   0.08550 -1.0 2.0
   65    54   -55    57   0.09800  1.0 3.0
   65    54    55    61   0.09700  1.0 1.0
   65    54    55    61   0.15600 -1.0 2.0
   65    54    55    61  -0.50800  1.0 3.0
   65    62    66    67   0.15000  1.0 3.0
   65    62    66    68   0.15000  1.0 3.0
   65    62    66    69   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    42    45  -0.95700  1.0 1.0
   39    33    42    45  -0.18200 -1.0 2.0
   39    33    42    45   0.29450  1.0 3.0
   39    33    42    48   0.56750  1.0 1.0
   39    33    42    48  -0.07550 -1.0 2.0
   39    33    42    48   0.20000  1.0 3.0
   39    33    42    52   0.86500  1.0 1.0
   39    33    42    52  -0.17500 -1.0 2.0
   39    33    42    52   0.20800  1.0 3.0
   39    65    72    73   0.15000  1.0 3.0
   39    65    72    74   0.15000  1.0 3.0
   39    65    72    75   0.15000  1.0 3.0
   72    65    39    33   0.56750  1.0 1.0
   72    65    39    33  -0.07550 -1.0 2.0
   72    65    39    33   0.20000  1.0 3.0
   72    65    39    40   0.15000  1.0 3.0
   72    65    39    41   0.15000  1.0 3.0
   66    62    65    54   0.34400  1.0 1.0
   66    62    65    54   0.09450 -1.0 2.0
   66    62    65    54   0.11100  1.0 3.0
   66    62    65    39   0.56750  1.0 1.0
   66    62    65    39  -0.07550 -1.0 2.0
   66    62    65    39   0.20000  1.0 3.0
   66    62    65    72   0.56750  1.0 1.0
   66    62    65    72  -0.07550 -1.0 2.0
   66    62    65    72   0.20000  1.0 3.0
   64    59    62    63   0.23400  1.0 3.0
   64    59    62    65   0.62750  1.0 1.0
   64    59    62    65  -0.30950 -1.0 2.0
   64    59    62    65   0.27300  1.0 3.0
   64    59    62    66   0.62750  1.0 1.0
   64    59    62    66  -0.30950 -1.0 2.0
   64    59    62    66   0.27300  1.0 3.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
   61    55   -57    58   0.23400  1.0 3.0
   61    55   -57    59   0.02550  1.0 1.0
   61    55   -57    59  -0.02600 -1.0 2.0
   61    55   -57    59   1.20400  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.02550  1.0 1.0
   61    57    59    62  -0.02600 -1.0 2.0
   61    57    59    62   1.20400  1.0 3.0
   61    57    59    64   1.11900  1.0 1.0
   61    57    59    64  -1.16350 -1.0 2.0
   61    57    59    64  -0.34150  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    43   0.65300  1.0 1.0
   42    33    37    43  -0.03850 -1.0 2.0
   42    33    37    43   0.33900  1.0 3.0
   42    33    39    65   0.56750  1.0 1.0
   42    33    39    65  -0.07550 -1.0 2.0
   42    33    39    65   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   45    42    48    49  -0.11250  1.0 3.0
   45    42    48    50  -0.11250  1.0 3.0
   45    42    48    51  -0.11250  1.0 3.0
   45    42    52    53   0.91850  1.0 1.0
   45    42    52    53   0.57950  1.0 3.0
   48    42    45    46   0.30150 -1.0 2.0
   48    42    45    47   0.74550  1.0 1.0
   48    42    45    47  -0.00500 -1.0 2.0
   48    42    52    53  -0.11600  1.0 1.0
   48    42    52    53  -0.09450 -1.0 2.0
   48    42    52    53   0.21250  1.0 3.0
   52    42    45    46   0.30150 -1.0 2.0
   52    42    45    47   0.00000  1.0 1.0
   52    42    48    49   0.23400  1.0 3.0
   52    42    48    50   0.23400  1.0 3.0
   52    42    48    51   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
   33    43    37    38  10.50000 -1.0 2.0
   37    44    43    54   1.10000 -1.0 2.0
   55    65    54    43   1.10000 -1.0 2.0
   64    76    70    71  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
END
