* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    160    252     475
    1     0 S   NP   _N1_     1    28.42065    96.15931   -25.15547
    2     1 S   H    _HN1     2     1.02957    73.83585     6.48047
    3     1 S   H    _H1_     3     1.02835    33.37194  -179.29252
    4     1 S   H    _H2_     4     1.02776   116.16128   -96.38213
    5     1 S   CT   _CA1     5     1.50126   126.82665   110.13519
    6     5 S   HC   _HA1     6     1.09574   105.21964    92.86395
    7     5 S   CO3  _C1_     7     1.53792   112.37885   -27.34052
    8     7 S   O2Z  _O11     8     1.26366   114.99746   -43.59912
    9     7 S   O2Z  _O12     9     1.26237   114.93551   135.53330
   10     5 S   CT   _CB1    10     1.53099   107.42529  -149.21065
   11    10 S   HC   HB11    11     1.09826   109.34784   -50.45349
   12    10 S   HC   HB12    12     1.09816   110.41832    66.10981
   13    10 S   CT   _CG1    13     1.53012   112.66178  -171.52462
   14    13 S   HC   HG11    14     1.09595   110.48312   -64.12680
   15    13 S   HC   HG12    15     1.09656   109.92606    55.07091
   16    13 S   C    _CD1    16     1.51838   112.33696   175.45287
   17    16 S   O    _OE1    17     1.22747   123.29518    -0.15066
   18    16 S   N    _N2_    18     1.38563   111.68231   179.87180
   19    18 S   H    _HN2    19     1.01550   118.99744     4.62618
   20    18 S   CT1  _CA2    20     1.45754   122.88571   178.26607
   21    20 S   HC   _HA2    21     1.09764   108.89300    23.94471
   22    20 S   C    _C2_    22     1.52974   107.67893   -92.78751
   23    22 S   O    _O2_    23     1.22934   123.20485   -22.81393
   24    20 S   CT   _CB2    32     1.53179   112.10488   147.06104
   25    24 S   HC   HB21    33     1.09582   110.65860    50.64138
   26    24 S   HC   HB22    34     1.09253   109.55441   169.56444
   27    22 S   N    _N3_    24     1.38578   112.29572   159.85915
   28    27 S   H    _HN3    25     1.01678   120.22915    -2.51310
   29    24 S   S    _SG2    35     1.82367   110.96095   -70.32086
   30    27 S   CT   _CA3    26     1.45317   122.74860   177.91343
   31    30 S   HC   HA31    27     1.09562   108.00099   -51.56869
   32    30 S   HC   HA32    28     1.09551   107.47738    64.84100
   33    29 S   CT   _C23    36     1.84244   100.08349  -178.46303
   34    33 S   HC   _H4_    37     1.09749   107.32250   -51.66043
   35    30 S   CO3  _C3_    29     1.52946   114.18716  -173.55104
   36    35 S   O2Z  _O31    30     1.26344   116.07466     0.40830
   37    35 S   O2Z  _O32    31     1.26433   114.40130  -179.59458
   38    33 S   CM   _C11    38     1.51110   111.95814    68.05819
   39    33 S   CM   _C7_    51     1.51415   108.72851  -169.17583
   40    38 S   CM   _C12    39     1.34034   121.02559  -102.88421
   41    40 S   HC   _H12    40     1.08455   121.94255    -0.87335
   42    39 S   CT   _C5_    52     1.53553   114.00146    89.63445
   43    42 S   HC   _H8_    53     1.09903   107.36178   -21.66996
   44    40 S   CO4  _C13    41     1.47917   121.29377   177.16262
   45    44 S   O    _O33    42     1.22887   117.52597  -179.29584
   46    42 S   CT   _C4_    54     1.53066   111.26269    94.82498
   47    46 S   HC   _H5_    55     1.09509   111.78858    66.58231
   48    46 S   HC   _H6_    56     1.09556   111.11601   -54.05350
   49    46 S   HC   _H7_    57     1.09548   110.54707  -173.48013
   50    42 S   CT   _C6_    58     1.53286   115.13078  -137.83712
   51    50 S   HC   _H9_    59     1.09397   112.57802   -75.30835
   52    50 S   HC   _H10    60     1.09613   110.00168   165.73372
   53    50 S   HC   _H11    61     1.09533   111.15691    46.77793
   54    44 S   CT   _C14    43     1.53643   118.10744     3.60228
   55    54 S   HC   _H3_    44     1.10420   103.12130    80.26360
   56    54 S   CT   _C15    45     1.57862   110.73594   -32.07220
   57    38 S   CM   _C10    46     1.46883   115.85810    75.92505
   58    56 S   CT   _C16    62     1.55626   107.73270   178.18049
   59    58 S   HC   _H13    63     1.09805   109.64547   -68.54592
   60    58 S   HC   _H14    64     1.09694   110.39604   173.18134
   61    56 S   CT   _C22    80     1.55320   114.08113   -62.39412
   62    61 S   HC   _H25    81     1.09082   113.19991   -79.58094
   63    61 S   HC   _H26    82     1.09739   110.71227   162.19965
   64    61 S   HC   _H27    83     1.09394   112.84360    41.79594
   65    57 S   CMA  _C9_    47     1.36984   118.82525    26.83839
   66    65 S   OM   _O34    48     1.26906   129.10912  -168.60243
   67    58 S   CT   _C17    65     1.52582   114.71921    51.80993
   68    67 S   HC   _H15    66     1.09387   111.31820    66.65256
   69    67 S   HC   _H16    67     1.09700   108.79896  -177.14336
   70    65 S   CMA  _C8_    49     1.54750   118.24148    10.62582
   71    70 S   OM   _O35    50     1.26965   113.91289   148.86273
   72    67 S   CT   _C18    68     1.51827   111.15154   -57.24644
   73    72 S   HC   _H17    69     1.09771   108.97386   179.69868
   74    72 S   HC   _H18    70     1.09895   108.01117   -65.60359
   75    54 S   CT   _C19    71     1.57282   114.36509  -166.64512
   76    75 S   CT   _C20    72     1.54193   114.06516    57.19748
   77    76 S   HC   _H19    73     1.09362   112.21554   -55.44252
   78    76 S   HC   _H20    74     1.09703   110.52542  -174.51666
   79    76 S   HC   _H21    75     1.08944   113.12839    66.54420
   80    75 S   CT   _C21    76     1.55287   110.55789   -63.64207
   81    80 S   HC   _H22    77     1.09289   112.72490    71.57598
   82    80 S   HC   _H23    78     1.09578   111.28929   -49.84905
   83    80 S   HC   _H24    79     1.09692   110.88134  -169.21906
  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   8   5   4   3
  15   6   2   1   1  14  16   9   4  12   9  11   4   8   3   2
   1   4   2   1   1  24   8  18  13  14   6   5   6   2   1   1
   3   2   8   5   4   1   1  11   4   3   8   7   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    57    70    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    57    65    70    71    39    42    43    46    50  
   38    40    57    70    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    56    57    65    66    70    39    42    58    61  
   42    43    46    47    48    49    50    51    52    53    40    57    65    66    70    71  
   41    44    45    54    55    56    57    65    75  
   44    45    54    57  
   43    46    47    48    49    50    51    52    53    65    70    71  
   46    47    48    49    50    51    52    53    70  
   45    54    55    56    57    58    72    75    76    80    61  
   54    55    56    75  
   47    48    49    50    51    52    53    70  
   48    49    50  
   49    50  
   50  
   51    52    53    70  
   52    53  
   53  
    0  
   55    56    57    65    58    59    60    67    72    73    74    75    76    77    78    79    80    81    82    83    61    62    63    64  
   56    57    58    72    75    76    80    61  
   57    65    66    70    58    59    60    67    68    69    72    75    76    80    61    62    63    64  
   65    66    70    71    58    59    60    67    75    61    62    63    64  
   59    60    67    68    69    72    73    74    75    61    62    63    64    65  
   60    67    68    69    72    61  
   67    68    69    72    61  
   62    63    64    65    67    75  
   63    64  
   64  
    0  
   66    70    71  
   70    71  
   68    69    72    73    74    75    76    80  
   69    72    73    74    75  
   72    73    74    75  
   71  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    57   380.000  1.444
   40    41   340.000  1.080
   40    44   320.000  1.462
   44    45   570.000  1.229
   44    54   317.000  1.522
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    75   268.000  1.529
   56    57   317.000  1.510
   56    58   268.000  1.529
   56    61   268.000  1.529
   57    65   465.000  1.376
   65    66   745.000  1.250
   65    70   465.000  1.376
   70    71   745.000  1.250
   70    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    57    70.00000  124.00000
   33    39    70    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    65.00000  118.96000
   38    57    56    70.00000  124.00000
   38    57    65    70.00000  117.34000
   40    44    45    80.00000  123.72100
   40    44    54    65.00000  118.62400
   44    40    41    40.00000  117.72500
   44    54    55    35.00000  109.50000
   44    54    56    63.00000  111.10000
   44    54    75    63.00000  111.10000
   54    44    45    80.00000  120.40000
   54    56    57    70.00000  112.02700
   54    56    58    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    75    72    58.35000  112.70000
   54    75    76    58.35000  112.70000
   54    75    80    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    57    65    70.00000  124.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    67    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   57    38    40    70.00000  123.01800
   57    65    66    65.00000  137.10300
   57    65    70    70.00000  117.34000
   65    70    71    65.00000  137.10300
   65    70    39    70.00000  117.34000
   70    65    66    65.00000  137.10300
   70    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    70    71    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    46    70.00000  112.02700
   39    42    50    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   46    42    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   58    56    57    70.00000  112.02700
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    54    55    37.50000  110.70000
   75    54    56    58.35000  112.70000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   61    56    57    70.00000  112.02700
   61    56    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    57   0.42700  1.0 1.0
   29    33    38    57  -0.70350 -1.0 2.0
   29    33    38    57  -0.43150  1.0 3.0
   29    33    39    70   0.42700  1.0 1.0
   29    33    39    70  -0.70350 -1.0 2.0
   29    33    39    70  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    57    56   0.35650  1.0 1.0
   33    38    57    56   0.31450 -1.0 2.0
   33    38    57    65  -0.18600  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   33    39    42    50   0.46850  1.0 1.0
   33    39    42    50   0.08550 -1.0 2.0
   33    39    42    50   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    70   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    70  -0.28300  1.0 1.0
   38    33    39    70   0.26700 -1.0 2.0
   38    33    39    70  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    44    45   1.00000 -1.0 2.0
   38    40    44    54  -0.33500  1.0 1.0
   38    40    44    54   1.06600 -1.0 2.0
   38    40    44    54  -0.14000  1.0 3.0
   38    57    65    66   7.00000 -1.0 2.0
   38    57   -65    70   7.00000 -1.0 2.0
   40    38    57    56  -0.18600  1.0 3.0
   40    38    57    65   0.28850  1.0 1.0
   40    38    57    65   2.61350 -1.0 2.0
   40    38    57    65   0.78400  1.0 3.0
   40    44    54    55   0.00000  1.0 1.0
   40    44   -54    56   0.65300  1.0 1.0
   40    44   -54    56  -0.03850 -1.0 2.0
   40    44   -54    56   0.33900  1.0 3.0
   40    44    54    75   0.65300  1.0 1.0
   40    44    54    75  -0.03850 -1.0 2.0
   40    44    54    75   0.33900  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    54   0.04550  1.0 1.0
   41    40    44    54   0.83000 -1.0 2.0
   41    40    44    54  -0.04000  1.0 3.0
   44    54    56    57  -0.98800  1.0 1.0
   44    54    56    57   0.48800 -1.0 2.0
   44    54    56    57   0.76800  1.0 3.0
   44    54    56    58  -0.95700  1.0 1.0
   44    54    56    58  -0.18200 -1.0 2.0
   44    54    56    58   0.29450  1.0 3.0
   44    54    56    61  -0.95700  1.0 1.0
   44    54    56    61  -0.18200 -1.0 2.0
   44    54    56    61   0.29450  1.0 3.0
   44    54    75    72  -0.95700  1.0 1.0
   44    54    75    72  -0.18200 -1.0 2.0
   44    54    75    72   0.29450  1.0 3.0
   44    54    75    76  -0.95700  1.0 1.0
   44    54    75    76  -0.18200 -1.0 2.0
   44    54    75    76   0.29450  1.0 3.0
   44    54    75    80  -0.95700  1.0 1.0
   44    54    75    80  -0.18200 -1.0 2.0
   44    54    75    80   0.29450  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.30150 -1.0 2.0
   45    44    54    75   0.30150 -1.0 2.0
   54    56   -57    38   0.98200  1.0 1.0
   54    56   -57    38  -0.11900 -1.0 2.0
   54    56   -57    38   0.24250  1.0 3.0
   54    56    57    65   0.09850  1.0 1.0
   54    56    57    65   0.15250 -1.0 2.0
   54    56    57    65  -0.50650  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    67   0.56750  1.0 1.0
   54    56    58    67  -0.07550 -1.0 2.0
   54    56    58    67   0.20000  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    63   0.15000  1.0 3.0
   54    56    61    64   0.15000  1.0 3.0
   54    75    76    77   0.15000  1.0 3.0
   54    75    76    78   0.15000  1.0 3.0
   54    75    76    79   0.15000  1.0 3.0
   54    75    80    81   0.15000  1.0 3.0
   54    75    80    82   0.15000  1.0 3.0
   54    75    80    83   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    75    72   0.15000  1.0 3.0
   55    54    75    76   0.15000  1.0 3.0
   55    54    75    80   0.15000  1.0 3.0
   56    54    75    72   0.56750  1.0 1.0
   56    54    75    72  -0.07550 -1.0 2.0
   56    54    75    72   0.20000  1.0 3.0
   56    54    75    76   0.56750  1.0 1.0
   56    54    75    76  -0.07550 -1.0 2.0
   56    54    75    76   0.20000  1.0 3.0
   56    54    75    80   0.56750  1.0 1.0
   56    54    75    80  -0.07550 -1.0 2.0
   56    54    75    80   0.20000  1.0 3.0
   56    57    65    66   7.00000 -1.0 2.0
   56    57    65    70   7.00000 -1.0 2.0
   56    58    67    68   0.15000  1.0 3.0
   56    58    67    69   0.15000  1.0 3.0
   56    58   -67    72   0.56750  1.0 1.0
   56    58   -67    72  -0.07550 -1.0 2.0
   56    58   -67    72   0.20000  1.0 3.0
   57    38    40    41   7.00000 -1.0 2.0
   57    38   -40    44   7.00000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    67   0.34400  1.0 1.0
   57    56    58    67   0.09450 -1.0 2.0
   57    56    58    67   0.11100  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   57    65    70    71   7.00000 -1.0 2.0
   57    65    70    39   7.00000 -1.0 2.0
   65    70   -39    33   7.00000 -1.0 2.0
   65    70    39    42   7.00000 -1.0 2.0
   66    65    70    71   7.00000 -1.0 2.0
   66    65    70    39   7.00000 -1.0 2.0
   70    39    42    43   0.00000  1.0 1.0
   70    39    42    46   0.09850  1.0 1.0
   70    39    42    46   0.15250 -1.0 2.0
   70    39    42    46  -0.50650  1.0 3.0
   70    39    42    50   0.09850  1.0 1.0
   70    39    42    50   0.15250 -1.0 2.0
   70    39    42    50  -0.50650  1.0 3.0
   71    70    39    33   7.00000 -1.0 2.0
   71    70    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33   -38    57  -0.28300  1.0 1.0
   39    33   -38    57   0.26700 -1.0 2.0
   39    33   -38    57  -0.63300  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   39    42    50    51   0.15000  1.0 3.0
   39    42    50    52   0.15000  1.0 3.0
   39    42    50    53   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   46    42    50    51   0.15000  1.0 3.0
   46    42    50    52   0.15000  1.0 3.0
   46    42    50    53   0.15000  1.0 3.0
   50    42    46    47   0.15000  1.0 3.0
   50    42    46    48   0.15000  1.0 3.0
   50    42    46    49   0.15000  1.0 3.0
   58    56    57    38   0.98200  1.0 1.0
   58    56    57    38  -0.11900 -1.0 2.0
   58    56    57    38   0.24250  1.0 3.0
   58    56    57    65   0.09850  1.0 1.0
   58    56    57    65   0.15250 -1.0 2.0
   58    56    57    65  -0.50650  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   58    67    72    73   0.15000  1.0 3.0
   58    67    72    74   0.15000  1.0 3.0
   58    67    72    75   0.56750  1.0 1.0
   58    67    72    75  -0.07550 -1.0 2.0
   58    67    72    75   0.20000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    72   0.15000  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    72   0.15000  1.0 3.0
   67    72   -75    54   0.56750  1.0 1.0
   67    72   -75    54  -0.07550 -1.0 2.0
   67    72   -75    54   0.20000  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    54   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    54   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    54    56    57   0.34400  1.0 1.0
   75    54    56    57   0.09450 -1.0 2.0
   75    54    56    57   0.11100  1.0 3.0
   75    54   -56    58   0.56750  1.0 1.0
   75    54   -56    58  -0.07550 -1.0 2.0
   75    54   -56    58   0.20000  1.0 3.0
   75    54    56    61   0.56750  1.0 1.0
   75    54    56    61  -0.07550 -1.0 2.0
   75    54    56    61   0.20000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   61    56    57    38   0.98200  1.0 1.0
   61    56    57    38  -0.11900 -1.0 2.0
   61    56    57    38   0.24250  1.0 3.0
   61    56    57    65   0.09850  1.0 1.0
   61    56    57    65   0.15250 -1.0 2.0
   61    56    57    65  -0.50650  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    67   0.56750  1.0 1.0
   61    56    58    67  -0.07550 -1.0 2.0
   61    56    58    67   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    57    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   40    54    44    45  10.50000 -1.0 2.0
   38    56    57    65   1.10000 -1.0 2.0
   70    66    65    57   1.10000 -1.0 2.0
   65    71    70    39   1.10000 -1.0 2.0
   33    42    39    70   1.10000 -1.0 2.0
END
