* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    159    243     477
    1     0 S   NP   _N1_     1    28.69730    93.60872   -20.42440
    2     1 S   H    _HN1     2     1.02778    88.62174   -73.31790
    3     1 S   H    _H1_     3     1.02965    98.43429    34.92197
    4     1 S   H    _H2_     4     1.02841    25.65029   147.22609
    5     1 S   CT   _CA1     5     1.50139   135.46457   165.78008
    6     5 S   HC   _HA1     6     1.09589   105.24151    51.21752
    7     5 S   CO3  _C1_     7     1.53768   111.93242   -68.70101
    8     7 S   O2Z  _O11     8     1.26335   114.97722   -54.10444
    9     7 S   O2Z  _O12     9     1.26238   114.82817   124.76092
   10     5 S   CT   _CB1    10     1.53094   107.31157   168.70764
   11    10 S   HC   HB11    11     1.09820   109.14146   -52.80751
   12    10 S   HC   HB12    12     1.09825   110.53183    63.61259
   13    10 S   CT   _CG1    13     1.53034   112.75897  -174.05799
   14    13 S   HC   HG11    14     1.09595   110.20795   -62.90277
   15    13 S   HC   HG12    15     1.09626   110.22034    56.23036
   16    13 S   C    _CD1    16     1.51903   112.02295   176.17946
   17    16 S   O    _OE1    17     1.22755   123.08091   -14.06941
   18    16 S   N    _N2_    18     1.38610   111.90445   166.93118
   19    18 S   H    _HN2    19     1.01570   119.05197     1.04286
   20    18 S   CT1  _CA2    20     1.46380   123.36909  -177.95330
   21    20 S   HC   _HA2    21     1.09732   109.36505   -13.98784
   22    20 S   C    _C2_    22     1.53374   108.24730  -129.72656
   23    22 S   O    _O2_    23     1.23008   122.30055  -145.17344
   24    20 S   CT   _CB2    32     1.53511   111.35805   108.09814
   25    24 S   HC   HB21    33     1.09589   109.44796    55.25237
   26    24 S   HC   HB22    34     1.09497   110.84385   174.21795
   27    22 S   N    _N3_    24     1.38527   113.31662    42.14359
   28    27 S   H    _HN3    25     1.01531   118.89862    -0.53705
   29    24 S   S    _SG2    35     1.82534   111.54550   -65.83778
   30    27 S   CT   _CA3    26     1.45449   123.43021   175.13325
   31    30 S   HC   HA31    27     1.09524   109.20965    24.87609
   32    30 S   HC   HA32    28     1.09495   107.12669   141.87635
   33    29 S   CT   _C16    36     1.83085    99.41036   162.58534
   34    33 S   HC   _H18    37     1.09445   108.68835    77.61492
   35    33 S   HC   _H19    38     1.09382   107.71866   -38.83891
   36    30 S   CO3  _C3_    29     1.52929   113.14190   -98.58225
   37    36 S   O2Z  _O31    30     1.26400   115.41642   -44.15912
   38    36 S   O2Z  _O32    31     1.26357   114.97527   136.78281
   39    33 S   CT   _C15    39     1.53455   112.03394  -158.90715
   40    39 S   HC   _H13    40     1.09904   108.60209   173.79221
   41    39 S   CO3  _C17    41     1.54457   115.31355   -69.27406
   42    41 S   O2Z  _O40    42     1.26474   115.60678   158.74237
   43    41 S   O2Z  _O39    43     1.26461   115.72355   -23.56272
   44    39 S   OS   _O38    44     1.43657   110.32275    54.19195
   45    44 S   CO   _C12    45     1.42983   114.04263    83.85117
   46    45 S   HC   _H10    46     1.09705   109.57860   -36.68028
   47    45 S   CT   _C13    47     1.53376   108.33876  -155.03066
   48    47 S   HC   _H11    48     1.09597   110.32750    59.47503
   49    47 S   CT   _C14    49     1.52916   108.98424  -178.47338
   50    49 S   HC   _H12    50     1.09775   107.92792   -65.41930
   51    47 S   OH   _O37    86     1.42802   109.73888   -57.20822
   52    51 S   HO   _H17    87     0.97584   107.00701   178.88601
   53    49 S   CT   _C10    51     1.53834   112.27571    53.45643
   54    53 S   HC   _H8_    52     1.09743   108.67938  -171.49783
   55    49 S   OH   _O36    84     1.41942   109.92919   179.04612
   56    55 S   HO   _H16    85     0.97210   108.10693  -168.88127
   57    53 S   CT   _C11    53     1.54361   108.61162   -52.62388
   58    57 S   HC   _H9_    54     1.09815   109.88934   -63.98869
   59    53 S   OS1  _O34    61     1.43437   111.10511    67.07428
   60    45 S   OS   _O35    55     1.43100   111.29726    83.26578
   61    57 S   CT   _C18    56     1.52833   112.26305   174.58706
   62    61 S   HC   _H20    57     1.09412   111.21239    47.17118
   63    61 S   HC   _H21    58     1.09425   111.35929   -75.68568
   64    59 S   CO1  _C9_    62     1.43219   114.22683   115.62495
   65    64 S   HC   _H7_    63     1.09709   108.45418    39.40967
   66    61 S   OH   _O41    59     1.42586   109.00344   165.79886
   67    66 S   HO   _H22    60     0.97231   106.92010   175.52031
   68    64 S   CT   _C8_    64     1.53668   111.15435   156.43613
   69    68 S   HC   _H6_    65     1.09763   107.72250  -171.04845
   70    68 S   CT   _C7_    66     1.53220   112.43279    70.37561
   71    70 S   HC   _H5_    67     1.09627   109.00251   173.80413
   72    68 S   OH5  _O42    82     1.42411   110.25469   -54.72384
   73    72 S   HO   _H23    83     0.97195   107.83208   170.42745
   74    70 S   CT   _C6_    68     1.53142   109.59704    52.26664
   75    74 S   HC   _H4_    69     1.09629   110.16130  -171.82195
   76    70 S   OH5  _O43    80     1.42453   110.05023   -69.07686
   77    76 S   HO   _H24    81     0.97200   108.15247   176.86425
   78    74 S   CT   _C5_    70     1.54045   110.77716   -50.85524
   79    78 S   HC   _H3_    71     1.09555   108.05581   -65.60064
   80    74 S   OH5  _O44    78     1.42772   109.21899    69.96436
   81    80 S   HO   _H25    79     0.97250   107.54118    64.40548
   82    64 S   OS1  _O33    72     1.43194   112.73990   -79.64940
   83    78 S   CT   _C4_    73     1.52963   112.81932   174.99504
   84    83 S   HC   _H14    74     1.09542   111.36584   -63.91284
   85    83 S   HC   _H15    75     1.09576   109.89864   177.75049
   86    83 S   OH5  _O45    76     1.41954   110.67417    57.61958
   87    86 S   HO   _H26    77     0.97233   106.88785   172.33840
  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   7   5   4   3
   9   5   4   2   1   1   9   5   4   2   1   8  13   6  12   7
  13   7   4   1  15   7   3   1   9   6  10   4   4   3   2  13
   6   1   1  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    60  
   41    42    43    44    45  
   42    43    44    45  
   43    44  
   44  
   45    46    47    48    49    57    60    51  
   46    47    48    49    50    53    57    58    60    61    55    51    52  
   47    48    49    57    60    51  
   48    49    50    53    54    57    60    59    55    56    51    52  
   49    50    53    60    55    51    52  
   50    53    54    57    58    60    61    59    64    55    56    51    52  
   53    54    57    59    55    56    51  
   52    53    55    60  
    0  
   54    57    58    60    61    62    63    66    59    64    65    68    82    55    56  
   57    58    60    61    59    64    55  
   56    57    59  
    0  
   58    60    61    62    63    66    67    59    64  
   60    61    62    63    66    59  
   64    65    68    69    70    78    82    72    60    61  
   61    62    63    66  
   62    63    66    67  
   63    66    67  
   66    67  
   65    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   67  
    0  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    44   320.000  1.410
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   320.000  1.380
   45    46   340.000  1.090
   45    47   250.000  1.527
   45    60   320.000  1.380
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    59   335.000  1.422
   57    58   340.000  1.090
   57    60   320.000  1.410
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   320.000  1.410
   66    67   553.000  0.945
   59    64   370.000  1.399
   64    65   360.000  1.097
   64    68   255.000  1.525
   64    82   370.000  1.399
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   55    56   553.000  0.945
   51    52   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  109.69300
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    35.00000  109.50000
   44    39    41    85.00000  109.63000
   44    45    46    35.00000  109.50000
   44    45    47    90.00000  108.56700
   44    45    60    92.60000  111.55000
   45    47    48    45.00000  108.72000
   45    47    49    75.00000  109.43000
   45    47    51    90.00000  111.58700
   45    60    57    60.00000  109.50000
   47    45    46    45.00000  112.01100
   47    49    50    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    49    55    50.00000  109.50000
   47    51    52    55.00000  108.50000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    57    58.35000  112.70000
   49    53    59    95.00000  107.88500
   49    55    56    55.00000  108.50000
   53    49    50    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    60    50.00000  109.50000
   53    57    61    58.35000  112.70000
   53    59    64    90.00000  112.10700
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    66    50.00000  109.50000
   60    45    46    35.00000  109.50000
   60    45    47    90.00000  108.56700
   60    57    58    35.00000  109.50000
   61    57    58    37.50000  110.70000
   61    57    60    50.00000  109.50000
   61    66    67    55.00000  108.50000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   59    53    54    55.00000  108.98800
   59    53    57    95.00000  107.88500
   59    64    65    60.00000  105.75400
   59    64    68    90.00000  109.70700
   59    64    82   110.00000  113.16000
   64    68    69    45.00000  109.54000
   64    68    70    70.00000  111.10000
   64    68    72    90.00000  109.42000
   64    82    78    90.00000  112.10700
   68    64    65    45.00000  111.65000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    90.00000  111.45300
   68    72    73    65.00000  108.53500
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    64    65    60.00000  105.75400
   82    64    68    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    68    69    60.00000  109.39000
   72    68    70    90.00000  111.45300
   55    49    50    35.00000  109.50000
   55    49    53    50.00000  109.50000
   51    47    48    35.00000  109.50000
   51    47    49    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.06250  1.0 1.0
   33    39    44    45  -0.01100 -1.0 2.0
   33    39    44    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    44    45    46   0.37050  1.0 3.0
   39    44    45    47   0.06250  1.0 1.0
   39    44    45    47  -0.01100 -1.0 2.0
   39    44    45    47   0.28050  1.0 3.0
   39    44    45    60  -0.53350  1.0 1.0
   39    44    45    60  -0.78350 -1.0 2.0
   39    44    45    60   0.33750  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.37050  1.0 3.0
   41    39    44    45  -1.11000  1.0 1.0
   41    39    44    45   0.50250 -1.0 2.0
   41    39    44    45   0.47450  1.0 3.0
   44    39    41    42   0.30150 -1.0 2.0
   44    39    41    43   0.30150 -1.0 2.0
   44    45    47    48   0.23400  1.0 3.0
   44    45    47    49   0.62750  1.0 1.0
   44    45    47    49  -0.30950 -1.0 2.0
   44    45    47    49   0.27300  1.0 3.0
   44    45    47    51   3.69350  1.0 1.0
   44    45    47    51  -1.82950 -1.0 2.0
   44    45    60    57  -0.81800  1.0 1.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    53   3.97050  1.0 1.0
   45    47    49    55   0.86500  1.0 1.0
   45    47    49    55  -0.17500 -1.0 2.0
   45    47    49    55   0.20800  1.0 3.0
   45    47    51    52  -0.11600  1.0 1.0
   45    47    51    52  -0.09450 -1.0 2.0
   45    47    51    52   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.23400  1.0 3.0
   46    45    60    57   0.37050  1.0 3.0
   47    45    60    57   0.06250  1.0 1.0
   47    45    60    57  -0.01100 -1.0 2.0
   47    45    60    57   0.28050  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49   -53    57   0.56750  1.0 1.0
   47    49   -53    57  -0.07550 -1.0 2.0
   47    49   -53    57   0.20000  1.0 3.0
   47    49    53    59   0.62750  1.0 1.0
   47    49    53    59  -0.30950 -1.0 2.0
   47    49    53    59   0.27300  1.0 3.0
   47    49    55    56  -0.11600  1.0 1.0
   47    49    55    56  -0.09450 -1.0 2.0
   47    49    55    56   0.21250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    49    55   0.23400  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   49    47    51    52  -0.11600  1.0 1.0
   49    47    51    52  -0.09450 -1.0 2.0
   49    47    51    52   0.21250  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    60   0.62750  1.0 1.0
   49    53    57    60  -0.30950 -1.0 2.0
   49    53    57    60   0.27300  1.0 3.0
   49    53    57    61   0.56750  1.0 1.0
   49    53    57    61  -0.07550 -1.0 2.0
   49    53    57    61   0.20000  1.0 3.0
   49    53    59    64   0.06250  1.0 1.0
   49    53    59    64  -0.01100 -1.0 2.0
   49    53    59    64   0.28050  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    53    59   0.23400  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   53    49    55    56  -0.11600  1.0 1.0
   53    49    55    56  -0.09450 -1.0 2.0
   53    49    55    56   0.21250  1.0 3.0
   53    57   -60    45   0.06250  1.0 1.0
   53    57   -60    45  -0.01100 -1.0 2.0
   53    57   -60    45   0.28050  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    61    66   0.86500  1.0 1.0
   53    57    61    66  -0.17500 -1.0 2.0
   53    57    61    66   0.20800  1.0 3.0
   53    59    64    65   0.37050  1.0 3.0
   53    59    64    68   0.06250  1.0 1.0
   53    59    64    68  -0.01100 -1.0 2.0
   53    59    64    68   0.28050  1.0 3.0
   53    59    64    82  -0.12700  1.0 1.0
   53    59    64    82  -1.16200 -1.0 2.0
   53    59    64    82   0.58800  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    60   0.23400  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    59    64   0.37050  1.0 3.0
   57    53    59    64   0.06250  1.0 1.0
   57    53    59    64  -0.01100 -1.0 2.0
   57    53    59    64   0.28050  1.0 3.0
   57    61    66    67  -0.11600  1.0 1.0
   57    61    66    67  -0.09450 -1.0 2.0
   57    61    66    67   0.21250  1.0 3.0
   58    57    60    45   0.37050  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    66   0.23400  1.0 3.0
   60    45    47    48   0.23400  1.0 3.0
   60    45   -47    49   0.62750  1.0 1.0
   60    45   -47    49  -0.30950 -1.0 2.0
   60    45   -47    49   0.27300  1.0 3.0
   60    45    47    51   3.69350  1.0 1.0
   60    45    47    51  -1.82950 -1.0 2.0
   60    57    61    62   0.23400  1.0 3.0
   60    57    61    63   0.23400  1.0 3.0
   60    57    61    66   3.69350  1.0 1.0
   60    57    61    66  -1.82950 -1.0 2.0
   61    57    60    45   0.06250  1.0 1.0
   61    57    60    45  -0.01100 -1.0 2.0
   61    57    60    45   0.28050  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67   0.19450  1.0 3.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    60   1.11900  1.0 1.0
   59    53    57    60  -1.16350 -1.0 2.0
   59    53    57    60  -0.34150  1.0 3.0
   59    53    57    61   0.62750  1.0 1.0
   59    53    57    61  -0.30950 -1.0 2.0
   59    53    57    61   0.27300  1.0 3.0
   59    64    68    69   0.23400  1.0 3.0
   59    64    68    70   0.62750  1.0 1.0
   59    64    68    70  -0.30950 -1.0 2.0
   59    64    68    70   0.27300  1.0 3.0
   59    64    68    72   1.51850  1.0 1.0
   59    64    82    78  -0.70400  1.0 1.0
   59    64    82    78  -0.90350 -1.0 2.0
   64    68    70    71   0.15000  1.0 3.0
   64    68    70    74   0.56750  1.0 1.0
   64    68    70    74  -0.07550 -1.0 2.0
   64    68    70    74   0.20000  1.0 3.0
   64    68    70    76  -0.47750  1.0 1.0
   64    68    72    73   0.29150  1.0 1.0
   64    68    72    73  -0.28350 -1.0 2.0
   64    68    72    73   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    82    78   0.37050  1.0 3.0
   68    64    82    78   0.06250  1.0 1.0
   68    64    82    78  -0.01100 -1.0 2.0
   68    64    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80  -0.47750  1.0 1.0
   68    70    76    77   0.29150  1.0 1.0
   68    70    76    77  -0.28350 -1.0 2.0
   68    70    76    77   0.43600  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73   0.29150  1.0 1.0
   70    68    72    73  -0.28350 -1.0 2.0
   70    68    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    64   0.06250  1.0 1.0
   74    78   -82    64  -0.01100 -1.0 2.0
   74    78   -82    64   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    64   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    64    68    69   0.23400  1.0 3.0
   82    64   -68    70   0.62750  1.0 1.0
   82    64   -68    70  -0.30950 -1.0 2.0
   82    64   -68    70   0.27300  1.0 3.0
   82    64    68    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    64   0.06250  1.0 1.0
   83    78    82    64  -0.01100 -1.0 2.0
   83    78    82    64   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74  -0.47750  1.0 1.0
   72    68    70    76   3.77950  1.0 1.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    57   0.86500  1.0 1.0
   55    49    53    57  -0.17500 -1.0 2.0
   55    49    53    57   0.20800  1.0 3.0
   55    49    53    59   3.69350  1.0 1.0
   55    49    53    59  -1.82950 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    53   0.86500  1.0 1.0
   51    47    49    53  -0.17500 -1.0 2.0
   51    47    49    53   0.20800  1.0 3.0
   51    47    49    55   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   42    39    41    43  10.50000 -1.0 2.0
END
