* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    155    239     453
    1     0 S   NP   _N1_     1    28.70511    96.00480   -24.39786
    2     1 S   H    _HN1     2     1.02950    72.05670    17.57757
    3     1 S   H    _H1_     3     1.02828    36.61120  -179.98022
    4     1 S   H    _H2_     4     1.02785   109.58308   -86.08893
    5     1 S   CT   _CA1     5     1.50108   134.26321   118.88817
    6     5 S   HC   _HA1     6     1.09572   105.20377    93.17985
    7     5 S   CO3  _C1_     7     1.53795   112.46482   -27.07240
    8     7 S   O2Z  _O11     8     1.26372   115.00838   -42.54307
    9     7 S   O2Z  _O12     9     1.26241   114.94948   136.62126
   10     5 S   CT   _CB1    10     1.53083   107.42463  -148.82315
   11    10 S   HC   HB11    11     1.09831   109.39719   -49.69005
   12    10 S   HC   HB12    12     1.09813   110.43729    66.92864
   13    10 S   CT   _CG1    13     1.52981   112.58916  -170.66891
   14    13 S   HC   HG11    14     1.09585   110.61095   -65.12510
   15    13 S   HC   HG12    15     1.09670   109.80434    54.10027
   16    13 S   C    _CD1    16     1.51798   112.26850   174.57231
   17    16 S   O    _OE1    17     1.22728   123.28918     5.86735
   18    16 S   N    _N2_    18     1.38632   111.61065  -174.20434
   19    18 S   H    _HN2    19     1.01577   118.98242     1.87503
   20    18 S   CT1  _CA2    20     1.46253   123.49373   178.18879
   21    20 S   HC   _HA2    21     1.09738   109.29876     3.32131
   22    20 S   C    _C2_    22     1.53592   108.91398  -112.16396
   23    22 S   O    _O2_    23     1.23058   122.29574  -150.54171
   24    20 S   CT   _CB2    32     1.53336   111.33731   125.22324
   25    24 S   HC   HB21    33     1.09574   109.88641    55.57586
   26    24 S   HC   HB22    34     1.09449   110.15806   174.78425
   27    22 S   N    _N3_    24     1.38340   113.78830    37.06377
   28    27 S   H    _HN3    25     1.01569   119.55499    -3.50788
   29    24 S   S    _SG2    35     1.83005   111.20305   -65.37349
   30    27 S   CT   _CA3    26     1.45274   123.21419   177.05929
   31    30 S   HC   HA31    27     1.09549   107.52710   -64.27781
   32    30 S   HC   HA32    28     1.09557   107.97214    52.16247
   33    29 S   CT   _C16    36     1.86011    99.86896   167.01727
   34    33 S   HC   _H3_    37     1.09682   105.45273   -47.29193
   35    30 S   CO3  _C3_    29     1.52954   114.07586   174.15243
   36    35 S   O2Z  _O31    30     1.26376   116.07372    -0.42151
   37    35 S   O2Z  _O32    31     1.26429   114.41134   179.63363
   38    33 S   CM   _C6_    38     1.51551   106.29981    70.31045
   39    38 S   HC   _H27    39     1.09026   115.59307    63.59333
   40    33 S   CT   _C18    61     1.58139   113.17919  -163.55871
   41    38 S   CMA  _C10    40     1.35161   126.12781  -116.59359
   42    41 S   OM   _O21    41     1.26145   132.37739     2.38811
   43    40 S   CT   _C22    62     1.55668   110.40948    49.84680
   44    43 S   HC   _H43    63     1.09477   112.44171   -69.99045
   45    43 S   HC   _H44    64     1.09679   110.96782   170.89459
   46    43 S   HC   _H45    65     1.09597   111.09684    51.34949
   47    40 S   CT   _C23    66     1.54721   112.79449   -69.05150
   48    47 S   HC   _H46    67     1.09526   111.49469    59.79379
   49    47 S   HC   _H47    68     1.09229   113.01186   -61.21851
   50    47 S   HC   _H48    69     1.09651   110.77718   178.82197
   51    41 S   CM   _C8_    42     1.46654   116.47938   179.87967
   52    51 S   CM   _C4_    43     1.35123   127.56234    79.65417
   53    52 S   HC   _H25    44     1.09373   113.97960  -177.68607
   54    51 S   CT   _C19    79     1.52012   113.32719   -96.81050
   55    54 S   HC   _H34    80     1.09553   110.91780   -66.72767
   56    54 S   HC   _H35    81     1.09555   112.38997   173.31115
   57    54 S   HC   _H36    82     1.09602   110.64950    53.74520
   58    52 S   CM   _C7_    45     1.45278   135.11319     3.29913
   59    58 S   CM   _C5_    46     1.34664   119.69857   179.52812
   60    59 S   HC   _H26    47     1.08332   124.52304     1.18234
   61    59 S   CT   _C15    48     1.49447   114.28414  -177.45578
   62    61 S   HC   _H32    49     1.09599   110.11560  -127.29054
   63    61 S   CT   _C14    50     1.52888   102.49791   -10.53683
   64    63 S   HC   _H30    51     1.09685   112.04752   140.34303
   65    63 S   HC   _H31    52     1.09908   109.19374  -102.31193
   66    61 S   CT   _C21    75     1.52325   111.97460   111.10407
   67    66 S   HC   _H40    76     1.09497   112.06732   -56.99116
   68    66 S   HC   _H41    77     1.09514   110.54380  -177.36285
   69    66 S   HC   _H42    78     1.09561   110.73484    63.22345
   70    58 S   CT   _C17    53     1.50397   130.90209     3.12412
   71    70 S   CO4  _C12    54     1.50572   115.00441    66.07298
   72    71 S   O    _O22    55     1.22129   126.55124    47.93637
   73    71 S   CM   _C9_    56     1.46382   109.47512  -134.27312
   74    73 S   CM   _C11    57     1.33772   102.52137     4.99826
   75    73 S   CT   _C20    71     1.47746   123.41056  -176.42839
   76    75 S   HC   _H37    72     1.09453   110.46894   -59.20567
   77    75 S   HC   _H38    73     1.09285   112.48877  -179.62675
   78    75 S   HC   _H39    74     1.09471   110.25534    60.32189
   79    74 S   CT   _C13    58     1.50205   126.16862   177.49017
   80    79 S   HC   _H28    59     1.09735   108.38905    -6.87529
   81    79 S   HC   _H29    60     1.09916   106.91443   106.00695
   82    70 S   OS   _O23    70     1.42991   115.31885   -54.46315
  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   9   5   4   3
  19   7   2   1   1  10   4  15   9   3  11   4   3   2   7   3
   2   1   9  13   4   4   2   1   1  14  13   5  11   8  12   5
   4   4   2   1   1   7   9   4   9   8   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    79    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    51    74    79    80    81    40    43    44    45    46    47    48    49    50  
   38    39    41    79    40    43    47  
   36    37  
   37  
    0  
   39    41    42    51    52    79    40    43    47    54  
   41    42    51    40  
   43    44    45    46    47    48    49    50    82    41    73    74    79    80    81  
   42    51    52    53    58    54    55    56    57  
   51    52    54  
   44    45    46    47    48    49    50    74    79    80    81  
   45    46    47    79  
   46    47    79  
   47    79  
   48    49    50    74    79    80    81  
   49    50    79  
   50    79  
   79  
   52    53    58    59    70    54    55    56    57  
   53    58    59    60    61    63    70    71    82    54    55    56    57  
   58    59    70    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    70    71    72    73    74    82    66  
   60    61    62    63    64    65    70    71    82    66    67    68    69  
   61    62    63    70    66  
   62    63    64    65    70    71    82    66    67    68    69  
   63    64    65    70    66    67    68    69  
   64    65    70    71    72    73    74    82    66    67    68    69  
   65    70    71    82    66  
   70    71    82    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    79    82    75  
   72    73    74    79    82    75    76    77    78  
   73    74    82    75  
   74    79    80    81    82    75    76    77    78  
   79    80    81    82    75    76    77    78  
   76    77    78    79    82  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    51   465.000  1.376
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   380.000  1.444
   58    59   549.000  1.340
   58    70   317.000  1.510
   59    60   340.000  1.080
   59    61   317.000  1.510
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   317.000  1.522
   70    82   320.000  1.410
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    75   317.000  1.510
   74    79   317.000  1.510
   74    82   440.000  1.360
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    43   268.000  1.529
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    79    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    51    70.00000  123.01800
   41    38    39    40.00000  120.50800
   41    51    52    70.00000  117.34000
   41    51    54    70.00000  124.00000
   51    41    42    65.00000  137.10300
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  123.01800
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    70.00000  123.01800
   52    58    70    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    61    70.00000  124.00000
   58    70    63    70.00000  112.02700
   58    70    71    70.00000  109.06800
   58    70    82    85.00000  110.90400
   59    61    62    35.00000  109.50000
   59    61    63    70.00000  112.02700
   59    61    66    70.00000  112.02700
   61    59    60    35.00000  117.00000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    70    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    70    71    63.00000  111.10000
   63    70    82    50.00000  109.50000
   65    63    64    33.00000  107.80000
   70    58    59    70.00000  124.00000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    71    72    80.00000  120.40000
   70    71    73    65.00000  118.62400
   70    82    74    90.00000  111.18400
   71    73    74    65.00000  118.96000
   71    73    75    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    79    70.00000  124.00000
   73    74    82    80.00000  120.01400
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    40    70.00000  112.02700
   79    40    43    58.35000  112.70000
   79    40    47    58.35000  112.70000
   81    79    80    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   82    70    71    90.00000  108.74100
   82    74    79    85.00000  112.85300
   75    73    74    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    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
   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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    79   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    79   0.34400  1.0 1.0
   38    33    40    79   0.09450 -1.0 2.0
   38    33    40    79   0.11100  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    41    51    52   7.00000 -1.0 2.0
   38    41    51    54   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   41    51    52    53   7.00000 -1.0 2.0
   41    51    52    58   7.00000 -1.0 2.0
   41    51    54    55   0.00000  1.0 1.0
   41    51    54    56   0.00000  1.0 1.0
   41    51    54    57   0.00000  1.0 1.0
   42    41    51    52   7.00000 -1.0 2.0
   42    41    51    54   7.00000 -1.0 2.0
   51    52    58    59   0.28850  1.0 1.0
   51    52    58    59   2.61350 -1.0 2.0
   51    52    58    59   0.78400  1.0 3.0
   51    52    58    70  -0.18600  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    59    60   7.00000 -1.0 2.0
   52    58    59    61   7.00000 -1.0 2.0
   52    58    70    63   0.98200  1.0 1.0
   52    58    70    63  -0.11900 -1.0 2.0
   52    58    70    63   0.24250  1.0 3.0
   52    58    70    71  -0.51250  1.0 1.0
   52    58    70    71  -0.88800 -1.0 2.0
   52    58    70    71   0.08850  1.0 3.0
   52    58    70    82   0.39000  1.0 1.0
   52    58    70    82  -0.05800 -1.0 2.0
   52    58    70    82  -0.55150  1.0 3.0
   53    52    58    59  -0.18600  1.0 3.0
   53    52    58    70   0.00000  1.0 1.0
   58    59    61    62   0.00000  1.0 1.0
   58    59   -61    63   0.09850  1.0 1.0
   58    59   -61    63   0.15250 -1.0 2.0
   58    59   -61    63  -0.50650  1.0 3.0
   58    59    61    66   0.09850  1.0 1.0
   58    59    61    66   0.15250 -1.0 2.0
   58    59    61    66  -0.50650  1.0 3.0
   58    70    71    72   0.30150 -1.0 2.0
   58    70    71    73   0.65300  1.0 1.0
   58    70    71    73  -0.03850 -1.0 2.0
   58    70    71    73   0.33900  1.0 3.0
   58    70    82    74  -0.48150  1.0 1.0
   58    70    82    74   0.09250 -1.0 2.0
   58    70    82    74  -0.12850  1.0 3.0
   59    58   -70    63   0.09850  1.0 1.0
   59    58   -70    63   0.15250 -1.0 2.0
   59    58   -70    63  -0.50650  1.0 3.0
   59    58    70    71  -0.51250  1.0 1.0
   59    58    70    71  -0.88800 -1.0 2.0
   59    58    70    71   0.08850  1.0 3.0
   59    58    70    82   0.39000  1.0 1.0
   59    58    70    82  -0.05800 -1.0 2.0
   59    58    70    82  -0.55150  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    65   0.15000  1.0 3.0
   59    61   -63    70   0.34400  1.0 1.0
   59    61   -63    70   0.09450 -1.0 2.0
   59    61   -63    70   0.11100  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    69   0.15000  1.0 3.0
   60    59    61    62   0.33100  1.0 3.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    66   0.00000  1.0 1.0
   61    63   -70    58   0.34400  1.0 1.0
   61    63   -70    58   0.09450 -1.0 2.0
   61    63   -70    58   0.11100  1.0 3.0
   61    63    70    71  -0.95700  1.0 1.0
   61    63    70    71  -0.18200 -1.0 2.0
   61    63    70    71   0.29450  1.0 3.0
   61    63    70    82   0.62750  1.0 1.0
   61    63    70    82  -0.30950 -1.0 2.0
   61    63    70    82   0.27300  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    69   0.15000  1.0 3.0
   63    70    71    72   0.30150 -1.0 2.0
   63    70    71    73   0.65300  1.0 1.0
   63    70    71    73  -0.03850 -1.0 2.0
   63    70    71    73   0.33900  1.0 3.0
   63    70    82    74  -0.46850  1.0 1.0
   63    70    82    74   0.09300 -1.0 2.0
   63    70    82    74  -0.12850  1.0 3.0
   64    63    70    58   0.15000  1.0 3.0
   64    63    70    71  -0.11250  1.0 3.0
   64    63    70    82   0.23400  1.0 3.0
   65    63    70    58   0.15000  1.0 3.0
   65    63    70    71  -0.11250  1.0 3.0
   65    63    70    82   0.23400  1.0 3.0
   70    58    59    60   7.00000 -1.0 2.0
   70    58   -59    61   7.00000 -1.0 2.0
   70    71   -73    74  -0.33500  1.0 1.0
   70    71   -73    74   1.06600 -1.0 2.0
   70    71   -73    74  -0.14000  1.0 3.0
   70    71    73    75   0.25700  1.0 1.0
   70    71    73    75   0.66200 -1.0 2.0
   70    71    73    75   0.04450  1.0 3.0
   71    70   -82    74  -0.48150  1.0 1.0
   71    70   -82    74   0.09250 -1.0 2.0
   71    70   -82    74  -0.12850  1.0 3.0
   71    73    74    79   7.00000 -1.0 2.0
   71    73   -74    82   7.00000 -1.0 2.0
   71    73    75    76   0.15000  1.0 3.0
   71    73    75    77   0.15000  1.0 3.0
   71    73    75    78   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    75  -0.64400  1.0 1.0
   72    71    73    75   0.26850 -1.0 2.0
   73    74    79    80   0.00000  1.0 1.0
   73    74    79    81   0.00000  1.0 1.0
   73    74    79    40   0.09850  1.0 1.0
   73    74    79    40   0.15250 -1.0 2.0
   73    74    79    40  -0.50650  1.0 3.0
   73    74   -82    70  -2.26850  1.0 1.0
   73    74   -82    70   3.39050 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   74    79    40    33   0.34400  1.0 1.0
   74    79    40    33   0.09450 -1.0 2.0
   74    79    40    33   0.11100  1.0 3.0
   74    79    40    43   0.34400  1.0 1.0
   74    79    40    43   0.09450 -1.0 2.0
   74    79    40    43   0.11100  1.0 3.0
   74    79    40    47   0.34400  1.0 1.0
   74    79    40    47   0.09450 -1.0 2.0
   74    79    40    47   0.11100  1.0 3.0
   79    74    82    70   2.00000 -1.0 2.0
   79    40    43    44   0.15000  1.0 3.0
   79    40    43    45   0.15000  1.0 3.0
   79    40    43    46   0.15000  1.0 3.0
   79    40    47    48   0.15000  1.0 3.0
   79    40    47    49   0.15000  1.0 3.0
   79    40    47    50   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    43   0.15000  1.0 3.0
   80    79    40    47   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    43   0.15000  1.0 3.0
   81    79    40    47   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    50   0.15000  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   82    70    71    72   0.30150 -1.0 2.0
   82    70   -71    73   0.65300  1.0 1.0
   82    70   -71    73  -0.03850 -1.0 2.0
   82    70   -71    73   0.33900  1.0 3.0
   82    74    79    80   0.00000  1.0 1.0
   82    74    79    81   0.00000  1.0 1.0
   82    74    79    40   0.09700  1.0 1.0
   82    74    79    40   0.15600 -1.0 2.0
   82    74    79    40  -0.50800  1.0 3.0
   75    73    74    79   7.00000 -1.0 2.0
   75    73    74    82   7.00000 -1.0 2.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   66    61    63    70   0.56750  1.0 1.0
   66    61    63    70  -0.07550 -1.0 2.0
   66    61    63    70   0.20000  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   51    42    41    38   1.10000 -1.0 2.0
   41    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   52    70    58    59   1.10000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    75    73    74   1.10000 -1.0 2.0
   79    82    74    73   1.10000 -1.0 2.0
END
