* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    156    233     454
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081   104.93227   -32.13109
    3     1 S   H    _H1_     3     1.02136    67.04126    72.16355
    4     1 S   H    _H2_     4     1.02134    45.74345  -133.82234
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.85507   100.89189   179.98022
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C22    37     1.54110   108.98493  -160.01777
   38    37 S   HC   _H20    38     1.09761   110.47133   -60.33908
   39    37 S   HC   _H21    39     1.09662   110.44929  -179.85196
   40    33 S   OH   _O40    82     1.42579   111.76237   -40.00189
   41    40 S   HO   _H22    83     0.97118   106.72890   -60.24824
   42    33 S   S    _S1_    84     1.85593   107.71121    81.83656
   43    37 S   CO4  _C21    40     1.53098   115.56043    61.98492
   44    43 S   O    _O39    41     1.22967   122.37084    26.57893
   45    42 S   CT   _C24    85     1.81189   100.94064  -161.82288
   46    45 S   HC   _H23    86     1.09266   109.85831   180.00000
   47    45 S   HC   _H24    87     1.09277   109.83958    60.01956
   48    45 S   HC   _H25    88     1.09289   109.81349   -59.98604
   49    43 S   CT   _C20    42     1.51730   115.36559  -153.88404
   50    49 S   HC   _H18    43     1.09558   106.84385    30.02750
   51    49 S   HC   _H19    44     1.09494   108.42046   -87.64838
   52    49 S   CO4  _C19    45     1.51721   116.66624   151.47976
   53    52 S   O    _O38    46     1.23011   122.17465   -28.42078
   54    52 S   CT   _C18    47     1.52152   115.26998   149.35231
   55    54 S   HC   _H16    48     1.09427   108.67541   -60.02827
   56    54 S   HC   _H17    49     1.09416   108.71628    58.40983
   57    54 S   CM   _C9_    50     1.48682   111.37845   179.07634
   58    57 S   CM   _C8_    51     1.34845   126.10586    90.30355
   59    58 S   CT   _C17    52     1.50944   123.56487   178.58556
   60    59 S   HC   _H3_    53     1.09765   108.70247   132.05566
   61    58 S   CO4  _C7_    71     1.47481   121.58026    -3.72431
   62    61 S   O    _O34    72     1.22803   119.78226    61.89294
   63    59 S   CA   _C16    54     1.50765   115.16594    10.77899
   64    59 S   OH   _O35    69     1.42876   108.74150  -109.95439
   65    64 S   HO   _H13    70     0.96929   106.31581    65.37597
   66    61 S   CT   _C6_    73     1.51317   116.72435  -120.00776
   67    66 S   HC   _H7_    74     1.09593   109.26184    29.97186
   68    66 S   HC   _H8_    75     1.09582   107.11349   -88.12276
   69    63 S   CA   _C11    55     1.40152   121.08561   -10.27860
   70    66 S   CO4  _C5_    76     1.51461   115.94647   150.82538
   71    70 S   O    _O33    77     1.23034   122.88270    -3.99704
   72    69 S   CA   _C12    56     1.40416   119.46267  -178.88864
   73    72 S   HA   _H11    57     1.08872   119.79420   179.62051
   74    57 S   CT   _C10    66     1.51457   112.80403   -90.04834
   75    74 S   HC   _H9_    67     1.09719   108.02140    50.21007
   76    74 S   HC   _H10    68     1.09824   108.60290   -66.61824
   77    70 S   CT   _C4_    78     1.50717   116.16892   177.88197
   78    77 S   HC   _H4_    79     1.09224   109.59602    90.01907
   79    77 S   HC   _H5_    80     1.09362   109.69909   -29.38792
   80    77 S   HC   _H6_    81     1.09261   109.56819  -148.89265
   81    72 S   CA   _C13    58     1.39429   120.72209    -0.45800
   82    81 S   CA   _C14    59     1.39145   119.84293     0.14537
   83    82 S   HA   _H12    60     1.08697   119.98527  -179.94405
   84    81 S   OH   _O37    64     1.36087   120.06464  -179.77100
   85    84 S   HO   _H15    65     0.97071   110.29091    -0.09065
   86    63 S   CA   _C15    61     1.40526   119.58206   170.34009
   87    86 S   OH   _O36    62     1.36458   120.89584    -0.76310
   88    87 S   HO   _H14    63     0.96913   110.01872   179.97202
  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
  13   2   1   1  12   6   5   4   1   5   7   4   3   2   1   1
   8   4   3   7   4  10   4   3  13  16  13   6  10   4  14   3
   1   8   4   3  10   5   4  10   4   4   1   1   3   2   1   1
   6   6   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    49    40    41    42    45    46    47    48  
   35    36  
   36  
    0  
   38    39    43    44    49    50    51    52    40    41    42    45  
   39    43    44    49    40    42  
   43    44    49    40    42  
   41    42    45    43  
   42  
   45    46    47    48    43  
   44    49    50    51    52    53    54  
   49    50    51    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    74  
   54    55    56    57  
   55    56    57    58    59    69    74    75    76    61  
   56    57    58    74  
   57    58    74  
   58    59    60    63    69    72    74    75    76    64    61    62    66  
   59    60    63    69    86    74    75    76    64    65    61    62    66    67    68    70  
   60    63    69    72    82    86    87    74    64    65    61    62    66  
   63    69    86    64    65    61  
   62    66    67    68    70    71    77    63    64    74  
   66    67    68    70  
   69    72    73    81    82    83    86    87    88    74    75    76    64    65  
   65    69    86  
    0  
   67    68    70    71    77    78    79    80  
   68    70    71    77  
   70    71    77  
   72    73    81    82    86    87    84    74    75    76  
   71    77    78    79    80  
   77    78    79    80  
   73    81    82    83    86    84    85    74    75    76  
   81    82    84    74  
   75    76    81    86  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    83    86    87    84    85  
   83    86    87    88    84    85  
   86    87    84  
   85    86  
    0  
   87    88  
   88  
    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   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   549.000  1.340
   57    74   317.000  1.510
   58    59   317.000  1.510
   58    61   320.000  1.462
   59    60   340.000  1.090
   59    63   317.000  1.510
   59    64   320.000  1.410
   63    69   469.000  1.400
   63    86   469.000  1.400
   69    72   469.000  1.400
   69    74   317.000  1.510
   72    73   367.000  1.080
   72    81   469.000  1.400
   81    82   469.000  1.400
   81    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   450.000  1.364
   87    88   553.000  0.945
   84    85   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   64    65   553.000  0.945
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   40    41   553.000  0.945
   42    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    55.00000  108.50000
   33    42    45    62.00000   98.90000
   37    43    44    80.00000  120.40000
   37    43    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    75.00000  107.99600
   49    43    44    80.00000  120.40000
   49    52    53    80.00000  120.40000
   49    52    54    70.00000  116.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    70.00000  109.06800
   54    52    53    80.00000  120.40000
   54    57    58    70.00000  124.00000
   54    57    74    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    70.00000  124.00000
   57    58    61    65.00000  118.96000
   57    74    69    70.00000  112.99600
   57    74    75    35.00000  109.50000
   57    74    76    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    63    70.00000  112.99600
   58    59    64    90.00000  110.39200
   58    61    62    80.00000  123.72100
   58    61    66    65.00000  118.62400
   59    63    69    70.00000  120.00000
   59    63    86    70.00000  120.00000
   59    64    65    55.00000  108.50000
   63    59    60    35.00000  109.50000
   63    69    72    63.00000  120.00000
   63    69    74    70.00000  120.00000
   63    86    82    63.00000  120.00000
   63    86    87    70.00000  120.00000
   69    72    73    35.00000  120.00000
   69    72    81    63.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   72    81    82    63.00000  120.00000
   72    81    84    70.00000  120.00000
   81    72    73    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    35.00000  113.00000
   82    86    87    70.00000  120.00000
   86    63    69    63.00000  120.00000
   86    82    83    35.00000  120.00000
   86    87    88    35.00000  113.00000
   84    81    82    70.00000  120.00000
   74    57    58    70.00000  124.00000
   74    69    72    70.00000  120.00000
   76    74    75    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    63    90.00000  112.51600
   61    58    59    65.00000  116.34900
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    70    75.00000  107.99600
   66    61    62    80.00000  120.40000
   66    70    71    80.00000  120.40000
   66    70    77    70.00000  116.00000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   77    70    71    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    45   0.08500  1.0 1.0
   29    33    42    45  -0.53150 -1.0 2.0
   29    33    42    45   0.48050  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    49   0.60050  1.0 1.0
   33    37    43    49   0.05600 -1.0 2.0
   33    37    43    49   0.26150  1.0 3.0
   33    42    45    46   0.32350  1.0 3.0
   33    42    45    47   0.32350  1.0 3.0
   33    42    45    48   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    45   0.01700  1.0 1.0
   37    33    42    45  -0.23550 -1.0 2.0
   37    33    42    45   0.21350  1.0 3.0
   37    43    49    50   0.00000  1.0 1.0
   37    43    49    51   0.00000  1.0 1.0
   37    43    49    52   0.65300  1.0 1.0
   37    43    49    52  -0.03850 -1.0 2.0
   37    43    49    52   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    49   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    49   0.00000  1.0 1.0
   43    49    52    53   0.30150 -1.0 2.0
   43    49    52    54   0.65300  1.0 1.0
   43    49    52    54  -0.03850 -1.0 2.0
   43    49    52    54   0.33900  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.30150 -1.0 2.0
   49    52    54    55   0.00000  1.0 1.0
   49    52    54    56   0.00000  1.0 1.0
   49    52    54    57   0.65300  1.0 1.0
   49    52    54    57  -0.03850 -1.0 2.0
   49    52    54    57   0.33900  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    57    58  -0.51250  1.0 1.0
   52    54    57    58  -0.88800 -1.0 2.0
   52    54    57    58   0.08850  1.0 3.0
   52    54    57    74   0.17250  1.0 1.0
   52    54    57    74  -0.04100 -1.0 2.0
   52    54    57    74  -0.33850  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.30150 -1.0 2.0
   54    57    58    59   7.00000 -1.0 2.0
   54    57    58    61   7.00000 -1.0 2.0
   54    57    74    69   0.09700  1.0 1.0
   54    57    74    69   0.15600 -1.0 2.0
   54    57    74    69  -0.50800  1.0 3.0
   54    57    74    75   0.34800  1.0 3.0
   54    57    74    76   0.34800  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    74   0.34800  1.0 3.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    74   0.34800  1.0 3.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    63   1.44450  1.0 1.0
   57    58    59    63   0.06600 -1.0 2.0
   57    58    59    63   0.29250  1.0 3.0
   57    58    59    64   0.67800  1.0 1.0
   57    58    59    64   0.47050 -1.0 2.0
   57    58    59    64  -0.62500  1.0 3.0
   57    58    61    62   1.00000 -1.0 2.0
   57    58    61    66  -0.33500  1.0 1.0
   57    58    61    66   1.06600 -1.0 2.0
   57    58    61    66  -0.14000  1.0 3.0
   58    57    74    69   1.44450  1.0 1.0
   58    57    74    69   0.06600 -1.0 2.0
   58    57    74    69   0.29250  1.0 3.0
   58    57    74    75   0.00000  1.0 1.0
   58    57    74    76   0.00000  1.0 1.0
   58    59   -63    69   0.18050 -1.0 2.0
   58    59    63    86   0.18050 -1.0 2.0
   58    59    64    65  -0.07800  1.0 1.0
   58    59    64    65  -0.21500 -1.0 2.0
   58    59    64    65  -0.03150  1.0 3.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68   0.00000  1.0 1.0
   58    61    66    70   0.65300  1.0 1.0
   58    61    66    70  -0.03850 -1.0 2.0
   58    61    66    70   0.33900  1.0 3.0
   59    58    61    62  -0.64400  1.0 1.0
   59    58    61    62   0.26850 -1.0 2.0
   59    58    61    66   0.25700  1.0 1.0
   59    58    61    66   0.66200 -1.0 2.0
   59    58    61    66   0.04450  1.0 3.0
   59    63    69    72   3.62500 -1.0 2.0
   59    63    69    74   3.62500 -1.0 2.0
   59    63    86    82   3.62500 -1.0 2.0
   59    63    86    87   3.62500 -1.0 2.0
   60    59    63    69   0.00000  1.0 1.0
   60    59    63    86   0.00000  1.0 1.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65   0.31900  1.0 1.0
   63    59    64    65  -0.11800 -1.0 2.0
   63    59    64    65   0.38750  1.0 3.0
   63    69    72    73   3.62500 -1.0 2.0
   63    69    72    81   3.62500 -1.0 2.0
   63    69   -74    57   0.18050 -1.0 2.0
   63    69    74    75   0.00000  1.0 1.0
   63    69    74    76   0.00000  1.0 1.0
   63    86    87    88   0.84100 -1.0 2.0
   69    63    86    82   3.62500 -1.0 2.0
   69    63    86    87   3.62500 -1.0 2.0
   69    72   -81    82   3.62500 -1.0 2.0
   69    72    81    84   3.62500 -1.0 2.0
   72    69    74    57   0.18050 -1.0 2.0
   72    69    74    75   0.00000  1.0 1.0
   72    69    74    76   0.00000  1.0 1.0
   72    81    82    83   3.62500 -1.0 2.0
   72    81    82    86   3.62500 -1.0 2.0
   72    81    84    85   0.84100 -1.0 2.0
   73    72    81    82   3.62500 -1.0 2.0
   73    72    81    84   3.62500 -1.0 2.0
   81    82   -86    63   3.62500 -1.0 2.0
   81    82    86    87   3.62500 -1.0 2.0
   82    81    84    85   0.84100 -1.0 2.0
   82    86    87    88   0.84100 -1.0 2.0
   83    82    86    63   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    63   -69    72   3.62500 -1.0 2.0
   86    63    69    74   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    86   3.62500 -1.0 2.0
   74    57   -58    59   7.00000 -1.0 2.0
   74    57    58    61   7.00000 -1.0 2.0
   74    69    72    73   3.62500 -1.0 2.0
   74    69    72    81   3.62500 -1.0 2.0
   64    59    63    69   0.14300 -1.0 2.0
   64    59    63    69   0.00300  1.0 3.0
   64    59    63    86   0.14300 -1.0 2.0
   64    59    63    86   0.00300  1.0 3.0
   61    58    59    60   0.15000  1.0 3.0
   61    58    59    63   0.09700  1.0 1.0
   61    58    59    63   0.15600 -1.0 2.0
   61    58    59    63  -0.50800  1.0 3.0
   61    58    59    64   0.09700  1.0 1.0
   61    58    59    64   0.15600 -1.0 2.0
   61    58    59    64  -0.50800  1.0 3.0
   61    66    70    71   0.30150 -1.0 2.0
   61    66    70    77   0.65300  1.0 1.0
   61    66    70    77  -0.03850 -1.0 2.0
   61    66    70    77   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    70   0.30150 -1.0 2.0
   66    70    77    78   0.00000  1.0 1.0
   66    70    77    79   0.00000  1.0 1.0
   66    70    77    80   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    77   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    77   0.00000  1.0 1.0
   71    70    77    78   0.00000  1.0 1.0
   71    70    77    79   0.00000  1.0 1.0
   71    70    77    80   0.00000  1.0 1.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43  -0.09450  1.0 1.0
   40    33    37    43  -1.12950 -1.0 2.0
   40    33    37    43   0.54000  1.0 3.0
   40    33    42    45   0.13850  1.0 1.0
   40    33    42    45  -1.34450 -1.0 2.0
   40    33    42    45   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    43    44  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
   54    74    57    58   1.10000 -1.0 2.0
   61    59    58    57   1.10000 -1.0 2.0
   69    86    63    59   4.00000 -1.0 2.0
   72    74    69    63   4.00000 -1.0 2.0
   81    73    72    69   1.10000 -1.0 2.0
   82    84    81    72   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    87    86    63   4.00000 -1.0 2.0
   58    66    61    62  10.50000 -1.0 2.0
   66    77    70    71  10.50000 -1.0 2.0
END
